smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(CN2CC[C@](C)([NH3+])C2)c(OC)c1 ZINC001204772495 805808997 /nfs/dbraw/zinc/80/89/97/805808997.db2.gz WINPHHLIBWMCRT-KRWDZBQOSA-N 1 0 291.439 2.465 20 10 CECDRO CCC(F)(F)CNCc1cc2c(cc1O)OCO2 ZINC000697591630 806599810 /nfs/dbraw/zinc/59/98/10/806599810.db2.gz JSMDDNYECZOJHT-UHFFFAOYSA-N 1 0 259.252 2.256 20 10 CECDRO CC[NH+]1C[C@@H]2CN(Cc3cc(F)c(F)cc3O)C[C@H]2C1 ZINC001142530381 806622914 /nfs/dbraw/zinc/62/29/14/806622914.db2.gz GONIMOMYURXIER-VXGBXAGGSA-N 1 0 282.334 2.054 20 10 CECDRO O=C(NCc1ccccc1O)c1cc2c(s1)CC[NH2+]C2 ZINC000710844227 809996238 /nfs/dbraw/zinc/99/62/38/809996238.db2.gz MSIDKYIHCAYLAE-UHFFFAOYSA-N 1 0 288.372 2.029 20 10 CECDRO CCN(CC[NH+](C)C)Cc1cc(Cl)cc(OC)c1O ZINC000708339743 803318690 /nfs/dbraw/zinc/31/86/90/803318690.db2.gz JVNKMCXHLKYTKI-UHFFFAOYSA-N 1 0 286.803 2.438 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CC23CC(O)C3)c1O ZINC000724975609 803376778 /nfs/dbraw/zinc/37/67/78/803376778.db2.gz OGDOGWFAMOBEBQ-KSGYAGIASA-N 1 0 283.755 2.057 20 10 CECDRO Cc1c(O)ccc(CN2CCC([NH+]3CCC3)CC2)c1O ZINC001140751462 803516478 /nfs/dbraw/zinc/51/64/78/803516478.db2.gz XQHCHXLMAHPQLB-UHFFFAOYSA-N 1 0 276.380 2.076 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)c(O)c1 ZINC001140850215 803583010 /nfs/dbraw/zinc/58/30/10/803583010.db2.gz GUIOFHUFYSWUTM-INIZCTEOSA-N 1 0 296.386 2.145 20 10 CECDRO C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001117953813 814968805 /nfs/dbraw/zinc/96/88/05/814968805.db2.gz QQLVZDCEQKPLPS-CQSZACIVSA-N 1 0 261.413 2.232 20 10 CECDRO CC[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1O ZINC000692842331 804136006 /nfs/dbraw/zinc/13/60/06/804136006.db2.gz NNLSBBDMBVDXCF-CYBMUJFWSA-N 1 0 285.409 2.258 20 10 CECDRO C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC001118237449 814995816 /nfs/dbraw/zinc/99/58/16/814995816.db2.gz YJOWFOTWSWVELG-CQSZACIVSA-N 1 0 259.397 2.081 20 10 CECDRO CCC(=O)NC[C@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269360430 805141174 /nfs/dbraw/zinc/14/11/74/805141174.db2.gz AQQGWMUKBFQHFX-AWEZNQCLSA-N 1 0 278.396 2.398 20 10 CECDRO C[C@@H](NC(=O)[C@H]([NH3+])C1CCCCC1)c1ccccc1O ZINC001119241597 815077885 /nfs/dbraw/zinc/07/78/85/815077885.db2.gz HRVLHTYVUZUTFK-IAQYHMDHSA-N 1 0 276.380 2.477 20 10 CECDRO COC[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232261026 807238981 /nfs/dbraw/zinc/23/89/81/807238981.db2.gz VGIDFFWVSFEFPQ-SNVBAGLBSA-N 1 0 271.744 2.362 20 10 CECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000716908379 815158863 /nfs/dbraw/zinc/15/88/63/815158863.db2.gz LRBITPRKXDWOAU-JSGCOSHPSA-N 1 0 250.386 2.392 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000691255840 808260484 /nfs/dbraw/zinc/26/04/84/808260484.db2.gz FSVFFTMFKJVUHA-ZBFHGGJFSA-N 1 0 260.381 2.410 20 10 CECDRO Cc1cc(F)cc(C[N@@H+]2CCCC3(C2)OCCO3)c1O ZINC001238070609 808293929 /nfs/dbraw/zinc/29/39/29/808293929.db2.gz NQBBWKVBIYUPQO-UHFFFAOYSA-N 1 0 281.327 2.179 20 10 CECDRO Cn1cncc1C[NH2+]Cc1ccc(Br)cc1O ZINC000701161581 809399409 /nfs/dbraw/zinc/39/94/09/809399409.db2.gz CWBMYKZXFOMOAY-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCOCCF)c1O ZINC000702647382 809574125 /nfs/dbraw/zinc/57/41/25/809574125.db2.gz UMAMKMKDRDCTPH-UHFFFAOYSA-N 1 0 277.723 2.130 20 10 CECDRO CCc1cccc(C[NH2+]CCc2cnn(C)c2)c1O ZINC000709417172 809961358 /nfs/dbraw/zinc/96/13/58/809961358.db2.gz OFNAOXUPBKBSTR-UHFFFAOYSA-N 1 0 259.353 2.020 20 10 CECDRO CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001273164478 810073588 /nfs/dbraw/zinc/07/35/88/810073588.db2.gz WGBIXPAZNMLSOF-OAHLLOKOSA-N 1 0 294.782 2.242 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1O ZINC001168977158 811307584 /nfs/dbraw/zinc/30/75/84/811307584.db2.gz IKVJRLGUQSKPPG-TUAOUCFPSA-N 1 0 264.325 2.488 20 10 CECDRO CC(C)COCC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172465753 815448331 /nfs/dbraw/zinc/44/83/31/815448331.db2.gz XQQQNJBLWBWEAN-LBPRGKRZSA-N 1 0 295.379 2.321 20 10 CECDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CCO1 ZINC001170176529 812324068 /nfs/dbraw/zinc/32/40/68/812324068.db2.gz YALKFPDCCZFAAW-AAEUAGOBSA-N 1 0 251.326 2.145 20 10 CECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2O)CCO1 ZINC001170176531 812324912 /nfs/dbraw/zinc/32/49/12/812324912.db2.gz YALKFPDCCZFAAW-WCQYABFASA-N 1 0 251.326 2.145 20 10 CECDRO [NH3+][C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1F ZINC001206185999 815567273 /nfs/dbraw/zinc/56/72/73/815567273.db2.gz PQULNPHMOZLYPQ-VXGBXAGGSA-N 1 0 272.751 2.307 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@H](C)O)cc1 ZINC000387040620 813198297 /nfs/dbraw/zinc/19/82/97/813198297.db2.gz RPPRNDISVDOUGQ-OLZOCXBDSA-N 1 0 250.386 2.392 20 10 CECDRO CO[C@H]([C@H](C)[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000388278589 813235825 /nfs/dbraw/zinc/23/58/25/813235825.db2.gz KNCIOTGZYAIBOL-LKFCYVNXSA-N 1 0 253.317 2.434 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1 ZINC000389138096 813248298 /nfs/dbraw/zinc/24/82/98/813248298.db2.gz XTIZKLJBCKMPHQ-RYUDHWBXSA-N 1 0 265.353 2.306 20 10 CECDRO COc1ccc(C[NH2+]CCc2cnccn2)cc1C ZINC000390115977 813258953 /nfs/dbraw/zinc/25/89/53/813258953.db2.gz MBCFOWOGLHEQAJ-UHFFFAOYSA-N 1 0 257.337 2.126 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc[nH]c(=O)c2)c1 ZINC000392691240 813307178 /nfs/dbraw/zinc/30/71/78/813307178.db2.gz QMDYGCMMGONMHS-SNVBAGLBSA-N 1 0 274.320 2.352 20 10 CECDRO Cc1n[nH]cc1C[NH2+]Cc1cc(Br)ccc1O ZINC000218323370 813539716 /nfs/dbraw/zinc/53/97/16/813539716.db2.gz IXGWPJSSGABHQX-UHFFFAOYSA-N 1 0 296.168 2.476 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(N(C)C)CC2)c1 ZINC000397972211 813650195 /nfs/dbraw/zinc/65/01/95/813650195.db2.gz IERKBQDJMKYSBF-LLVKDONJSA-N 1 0 264.369 2.146 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c(O)c1 ZINC001144504470 814092267 /nfs/dbraw/zinc/09/22/67/814092267.db2.gz RJLMYCAXDSMTGB-GHMZBOCLSA-N 1 0 263.337 2.425 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@H](C)C1 ZINC001144514447 814097567 /nfs/dbraw/zinc/09/75/67/814097567.db2.gz FBTPPAFABGTNML-NXEZZACHSA-N 1 0 251.326 2.424 20 10 CECDRO CC[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514724 814098604 /nfs/dbraw/zinc/09/86/04/814098604.db2.gz PTHWVHBKPHJCJP-SNVBAGLBSA-N 1 0 251.326 2.425 20 10 CECDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)Cc1ccccc1O ZINC000713038345 814842518 /nfs/dbraw/zinc/84/25/18/814842518.db2.gz NLVVKHOMOAKNKC-CQSZACIVSA-N 1 0 278.396 2.360 20 10 CECDRO CN1CCN(c2ccc(C[NH2+]CC3(C)CC3)cc2F)CC1 ZINC001116488070 814857354 /nfs/dbraw/zinc/85/73/54/814857354.db2.gz LIDKMYHFLDAIGY-UHFFFAOYSA-N 1 0 291.414 2.467 20 10 CECDRO COc1cccc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)c1O ZINC000713480296 814858485 /nfs/dbraw/zinc/85/84/85/814858485.db2.gz FSRPMKAYZFINLI-UONOGXRCSA-N 1 0 277.364 2.448 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c(O)c1 ZINC000714353667 814897515 /nfs/dbraw/zinc/89/75/15/814897515.db2.gz ZOCXKACUGWGOKB-STQMWFEESA-N 1 0 297.420 2.319 20 10 CECDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001173368760 815705685 /nfs/dbraw/zinc/70/56/85/815705685.db2.gz RJKWQDLWNCSNLW-INIZCTEOSA-N 1 0 261.413 2.279 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])[C@H]1CO ZINC001138122495 815731722 /nfs/dbraw/zinc/73/17/22/815731722.db2.gz JIMPKDLDHMKSRY-GWCFXTLKSA-N 1 0 253.317 2.124 20 10 CECDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3[O-])C2)O1 ZINC001138129453 815734005 /nfs/dbraw/zinc/73/40/05/815734005.db2.gz DLOJLQXLJSWERY-OAHLLOKOSA-N 1 0 279.311 2.203 20 10 CECDRO Cc1c(C[N@H+]2C[C@H]3CN(C)C(=O)[C@H]3C2)c2ccccc2n1C ZINC001138255840 815755766 /nfs/dbraw/zinc/75/57/66/815755766.db2.gz VKNWVOOOEICJJX-CJNGLKHVSA-N 1 0 297.402 2.007 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](N)(C(F)(F)F)C2)cc1 ZINC001206222927 815937525 /nfs/dbraw/zinc/93/75/25/815937525.db2.gz RFTPHLABHKKWNA-ZDUSSCGKSA-N 1 0 287.329 2.218 20 10 CECDRO Cc1n[nH]c(C)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001139100784 815959732 /nfs/dbraw/zinc/95/97/32/815959732.db2.gz YTWWZLIIYWNSAY-UHFFFAOYSA-N 1 0 257.337 2.290 20 10 CECDRO COc1cc(CN2CCSCC2)cc(C[NH+](C)C)c1O ZINC001139256362 815996655 /nfs/dbraw/zinc/99/66/55/815996655.db2.gz ZOPIVHQCTXSXRH-UHFFFAOYSA-N 1 0 296.436 2.011 20 10 CECDRO C[C@@H]1CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139409102 816019208 /nfs/dbraw/zinc/01/92/08/816019208.db2.gz WJDWWGVMORDICO-CQSZACIVSA-N 1 0 259.397 2.033 20 10 CECDRO Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1N(C)C ZINC001139674374 816078813 /nfs/dbraw/zinc/07/88/13/816078813.db2.gz XCBYYYLBCOERID-IYBDPMFKSA-N 1 0 273.424 2.339 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCC3(CC2)OCCO3)c1O ZINC001140181962 816205270 /nfs/dbraw/zinc/20/52/70/816205270.db2.gz YKQODICTQRCLEP-UHFFFAOYSA-N 1 0 277.364 2.348 20 10 CECDRO COC(=O)C1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140181283 816205855 /nfs/dbraw/zinc/20/58/55/816205855.db2.gz SLMIZJRFEIMGGB-UHFFFAOYSA-N 1 0 277.364 2.394 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001206250577 816217209 /nfs/dbraw/zinc/21/72/09/816217209.db2.gz HZJMBTLOAGRCFQ-LBPRGKRZSA-N 1 0 274.286 2.166 20 10 CECDRO COC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140462989 816260281 /nfs/dbraw/zinc/26/02/81/816260281.db2.gz RDHKJZREJSFWBE-UHFFFAOYSA-N 1 0 298.770 2.320 20 10 CECDRO O=C1CC2(CN1)CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140461778 816260608 /nfs/dbraw/zinc/26/06/08/816260608.db2.gz UGGHFOGQWRUAKX-UHFFFAOYSA-N 1 0 294.782 2.148 20 10 CECDRO Oc1cc2c(cc1O)C[N@H+](Cc1cc[nH]c1)CCC2 ZINC001140708306 816329099 /nfs/dbraw/zinc/32/90/99/816329099.db2.gz YMMDYJQNPOAWDL-UHFFFAOYSA-N 1 0 258.321 2.374 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CCN(c3cccnc3)CC2)c1O ZINC001140744283 816339627 /nfs/dbraw/zinc/33/96/27/816339627.db2.gz RVFJLFJYSSTVCL-UHFFFAOYSA-N 1 0 299.374 2.123 20 10 CECDRO Cc1c(O)ccc(C[N@H+](C)Cc2cncs2)c1O ZINC001140747493 816341052 /nfs/dbraw/zinc/34/10/52/816341052.db2.gz BSDVBBHSCQRSJO-UHFFFAOYSA-N 1 0 264.350 2.495 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CCC3(C[C@H](F)CO3)CC2)c1O ZINC001140748186 816341367 /nfs/dbraw/zinc/34/13/67/816341367.db2.gz UFWCSSGJPBVFRU-ZDUSSCGKSA-N 1 0 295.354 2.499 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)[C@@H](C)C1 ZINC001140751387 816342705 /nfs/dbraw/zinc/34/27/05/816342705.db2.gz USXFVZOUXNAXNY-GXFFZTMASA-N 1 0 265.353 2.406 20 10 CECDRO CCOC(=O)[C@@H]1CCCCN1Cc1ccc(O)c(C)c1O ZINC001140748833 816343293 /nfs/dbraw/zinc/34/32/93/816343293.db2.gz LNTGOXNSJVNEIW-ZDUSSCGKSA-N 1 0 293.363 2.324 20 10 CECDRO Cc1c(O)ccc(C[N@@H+](C)[C@H]2CCC3(C2)OCCO3)c1O ZINC001140749834 816343716 /nfs/dbraw/zinc/34/37/16/816343716.db2.gz NYFMDGLBCWHPAQ-ZDUSSCGKSA-N 1 0 293.363 2.134 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H]2COC)c(O)c1 ZINC001140856436 816383033 /nfs/dbraw/zinc/38/30/33/816383033.db2.gz KDMRLKJWMFYJGB-HNNXBMFYSA-N 1 0 278.396 2.459 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001140850069 816384015 /nfs/dbraw/zinc/38/40/15/816384015.db2.gz CHQZWSWLAALAJP-GOEBONIOSA-N 1 0 296.386 2.143 20 10 CECDRO CN(C)c1ccc(CN2CC[NH+](C)CC2)c(Cl)c1 ZINC001140921577 816410523 /nfs/dbraw/zinc/41/05/23/816410523.db2.gz IMLQVWKHXCBCBC-UHFFFAOYSA-N 1 0 267.804 2.153 20 10 CECDRO COc1cc(O)c(C[N@H+]2CCC[C@@H](OC)CC2)c(OC)c1 ZINC001141029136 816450448 /nfs/dbraw/zinc/45/04/48/816450448.db2.gz JTKHHYPNQWDQEJ-GFCCVEGCSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)CC2)c(OC)c1 ZINC001141032357 816451960 /nfs/dbraw/zinc/45/19/60/816451960.db2.gz ZJXLEYCUCGYVDK-MRXNPFEDSA-N 1 0 295.379 2.146 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c(OC)c1 ZINC001141031972 816452494 /nfs/dbraw/zinc/45/24/94/816452494.db2.gz OWKAIPLMMASILJ-BDJLRTHQSA-N 1 0 295.379 2.002 20 10 CECDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141141141 816486042 /nfs/dbraw/zinc/48/60/42/816486042.db2.gz UNOXZSDIKSFOKU-HIFRSBDPSA-N 1 0 290.407 2.108 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCCO3)c1 ZINC001141156545 816490130 /nfs/dbraw/zinc/49/01/30/816490130.db2.gz MSYFGHRGEMTXSX-OAHLLOKOSA-N 1 0 263.337 2.243 20 10 CECDRO CCCOC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141158838 816490738 /nfs/dbraw/zinc/49/07/38/816490738.db2.gz OOPZSOQIXRPARJ-UHFFFAOYSA-N 1 0 265.353 2.489 20 10 CECDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(O)ccc3O)C2)o1 ZINC001141161369 816492446 /nfs/dbraw/zinc/49/24/46/816492446.db2.gz QXECHUUMFWALRY-LLVKDONJSA-N 1 0 289.335 2.169 20 10 CECDRO CC(C)[N@H+](Cc1cc(O)ccc1O)C1CCN(C)CC1 ZINC001141163175 816493853 /nfs/dbraw/zinc/49/38/53/816493853.db2.gz STLZIDSOTMECGW-UHFFFAOYSA-N 1 0 278.396 2.402 20 10 CECDRO C[N@@H+]1C[C@H]2CCCN(Cc3cc(F)c(F)cc3O)[C@H]2C1 ZINC001142524799 816680443 /nfs/dbraw/zinc/68/04/43/816680443.db2.gz LCPMBJHCEKICCP-YGRLFVJLSA-N 1 0 282.334 2.196 20 10 CECDRO C[N@@H+]1CC[C@]2(CCN(Cc3cc(F)c(F)cc3O)C2)C1 ZINC001142526951 816680638 /nfs/dbraw/zinc/68/06/38/816680638.db2.gz CRVHPJOEWFOBPF-HNNXBMFYSA-N 1 0 282.334 2.198 20 10 CECDRO C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001206317811 816690762 /nfs/dbraw/zinc/69/07/62/816690762.db2.gz IUTUOXBKSHNODG-INIZCTEOSA-N 1 0 292.379 2.041 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1O ZINC000093482924 344225335 /nfs/dbraw/zinc/22/53/35/344225335.db2.gz NTZMHZATWDNPCR-DGCLKSJQSA-N 1 0 265.353 2.136 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCSC[C@@H]2C)cc1OC ZINC000179444582 344504933 /nfs/dbraw/zinc/50/49/33/344504933.db2.gz OAIMJDFKQQEHHY-JTQLQIEISA-N 1 0 283.393 2.347 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCCOCC2)c1O ZINC000134192340 366295872 /nfs/dbraw/zinc/29/58/72/366295872.db2.gz DXFPXZMGPUECQH-UHFFFAOYSA-N 1 0 251.326 2.013 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCOC2)c1O ZINC000135148818 366402436 /nfs/dbraw/zinc/40/24/36/366402436.db2.gz NEQJPNXONGSXJC-LBPRGKRZSA-N 1 0 283.755 2.469 20 10 CECDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000089729015 363996535 /nfs/dbraw/zinc/99/65/35/363996535.db2.gz ROMNGQXXKAVRHQ-BBRMVZONSA-N 1 0 289.423 2.413 20 10 CECDRO CCC[N@@H+]1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000092659731 364095224 /nfs/dbraw/zinc/09/52/24/364095224.db2.gz VLQWZXBPDQBYRB-UHFFFAOYSA-N 1 0 292.379 2.039 20 10 CECDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(=O)NCCF ZINC000282791853 299345154 /nfs/dbraw/zinc/34/51/54/299345154.db2.gz QGWQSNNDESBELX-IUCAKERBSA-N 1 0 288.750 2.170 20 10 CECDRO Cc1noc(C)c1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112017526 364769572 /nfs/dbraw/zinc/76/95/72/364769572.db2.gz ZVSOZUOCANSXMQ-UHFFFAOYSA-N 1 0 276.292 2.016 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[N@H+](C)C(C)C ZINC000170731715 367401544 /nfs/dbraw/zinc/40/15/44/367401544.db2.gz IFHQVCZQWVGINF-UHFFFAOYSA-N 1 0 278.396 2.471 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000245721533 370863867 /nfs/dbraw/zinc/86/38/67/370863867.db2.gz DJLCDXSKEHYRHH-CVEARBPZSA-N 1 0 277.364 2.080 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1O ZINC000245735185 370866345 /nfs/dbraw/zinc/86/63/45/370866345.db2.gz KORRKFBCILBXLX-GXTWGEPZSA-N 1 0 277.364 2.402 20 10 CECDRO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000179786859 368352266 /nfs/dbraw/zinc/35/22/66/368352266.db2.gz RKZOCLICKDJXBH-LBPRGKRZSA-N 1 0 282.771 2.064 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000179895062 368357358 /nfs/dbraw/zinc/35/73/58/368357358.db2.gz FSNIBCPGMJWVGS-ZDUSSCGKSA-N 1 0 263.337 2.228 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000179886930 368357362 /nfs/dbraw/zinc/35/73/62/368357362.db2.gz SYGFQBHQVINKRO-HNNXBMFYSA-N 1 0 276.380 2.280 20 10 CECDRO Cc1cccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1O ZINC000180328438 368376826 /nfs/dbraw/zinc/37/68/26/368376826.db2.gz XXWKWIIWZVSZMV-UHFFFAOYSA-N 1 0 290.407 2.391 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246013775 370900152 /nfs/dbraw/zinc/90/01/52/370900152.db2.gz UCFLJPKMCILRFK-OCCSQVGLSA-N 1 0 283.368 2.238 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CO)C2)c1O ZINC000184669919 368710873 /nfs/dbraw/zinc/71/08/73/368710873.db2.gz UVGDCDNXMBAMST-SNVBAGLBSA-N 1 0 285.771 2.259 20 10 CECDRO Cc1noc(CC[NH2+][C@H](C)c2cc(F)ccc2O)n1 ZINC000185972742 368896229 /nfs/dbraw/zinc/89/62/29/368896229.db2.gz WXBUDZUZNLRNQL-MRVPVSSYSA-N 1 0 265.288 2.116 20 10 CECDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cccc(C)c2O)C1(C)C ZINC000188908008 369427632 /nfs/dbraw/zinc/42/76/32/369427632.db2.gz VREXSYRLETYNSF-PBHICJAKSA-N 1 0 293.407 2.356 20 10 CECDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000188906166 369427811 /nfs/dbraw/zinc/42/78/11/369427811.db2.gz YNZBOCBONNPOPV-GOEBONIOSA-N 1 0 297.370 2.187 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000189948342 369581867 /nfs/dbraw/zinc/58/18/67/369581867.db2.gz UXEKRKWETWBVGB-GDBMZVCRSA-N 1 0 262.397 2.393 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCN1CCSCC1 ZINC000226648512 370350316 /nfs/dbraw/zinc/35/03/16/370350316.db2.gz NAZKCGIYONDDCE-UHFFFAOYSA-N 1 0 286.828 2.184 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COC(C)C ZINC000266594508 372049740 /nfs/dbraw/zinc/04/97/40/372049740.db2.gz VHPKNWOBXRIPDL-OAHLLOKOSA-N 1 0 281.396 2.390 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)cc1 ZINC000268899183 372278372 /nfs/dbraw/zinc/27/83/72/372278372.db2.gz ZPUMCZSUWPLJEP-OCCSQVGLSA-N 1 0 275.396 2.024 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c(O)c1 ZINC000269351185 372426168 /nfs/dbraw/zinc/42/61/68/372426168.db2.gz KKQWSBWPXSEIHE-ZDUSSCGKSA-N 1 0 279.380 2.385 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C2)cc1OC ZINC000271112967 373124640 /nfs/dbraw/zinc/12/46/40/373124640.db2.gz UWEFHPWJAMGNEA-JTQLQIEISA-N 1 0 251.326 2.251 20 10 CECDRO Oc1ccccc1C[NH+]1CCN(Cc2ccco2)CC1 ZINC000271236673 373185199 /nfs/dbraw/zinc/18/51/99/373185199.db2.gz CPVSRCMKXDDRMU-UHFFFAOYSA-N 1 0 272.348 2.303 20 10 CECDRO CCN(CC(=O)OC)Cc1cc(Cl)cc(C)c1O ZINC000271728747 373201804 /nfs/dbraw/zinc/20/18/04/373201804.db2.gz MKYBSTWFXRASBC-UHFFFAOYSA-N 1 0 271.744 2.349 20 10 CECDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000272214346 373364944 /nfs/dbraw/zinc/36/49/44/373364944.db2.gz AZXDYLMBUQEZTF-PWSUYJOCSA-N 1 0 293.260 2.419 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273392025 373755543 /nfs/dbraw/zinc/75/55/43/373755543.db2.gz LBFPGJGANNTBTL-NEPJUHHUSA-N 1 0 290.407 2.446 20 10 CECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)CC(C)C)c1 ZINC000273408991 373755980 /nfs/dbraw/zinc/75/59/80/373755980.db2.gz PDDZRWCXZNRKOV-YPMHNXCESA-N 1 0 295.379 2.236 20 10 CECDRO COC[C@H](C[NH2+][C@@H](C)c1cc(Cl)ccc1O)OC ZINC000273478237 373759758 /nfs/dbraw/zinc/75/97/58/373759758.db2.gz TXKLIWMSBLXKRB-ONGXEEELSA-N 1 0 273.760 2.358 20 10 CECDRO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1O ZINC000273536957 373762362 /nfs/dbraw/zinc/76/23/62/373762362.db2.gz XOEKHWIGISUDCH-TVQRCGJNSA-N 1 0 295.770 2.163 20 10 CECDRO COC[C@H](CCO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273591202 373766337 /nfs/dbraw/zinc/76/63/37/373766337.db2.gz PHWHMQNXXGPYBX-DOMZBBRYSA-N 1 0 293.407 2.319 20 10 CECDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273587006 373766469 /nfs/dbraw/zinc/76/64/69/373766469.db2.gz OAXGDCVGZICDDC-QWHCGFSZSA-N 1 0 267.369 2.057 20 10 CECDRO C[C@H]([NH2+]CCCS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000273587065 373766620 /nfs/dbraw/zinc/76/66/20/373766620.db2.gz OBMBRDJURZHKTB-VIFPVBQESA-N 1 0 291.800 2.131 20 10 CECDRO C[C@@H]([NH2+]CCCS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000273587063 373767388 /nfs/dbraw/zinc/76/73/88/373767388.db2.gz OBMBRDJURZHKTB-SECBINFHSA-N 1 0 291.800 2.131 20 10 CECDRO COc1ccc(C[NH2+]CC2([S@](C)=O)CC2)cc1C ZINC000282485606 375494936 /nfs/dbraw/zinc/49/49/36/375494936.db2.gz VRMKDUSEJWBORI-SFHVURJKSA-N 1 0 267.394 2.004 20 10 CECDRO COc1ccc(C[NH2+]CC2([S@@](C)=O)CC2)cc1C ZINC000282485603 375495357 /nfs/dbraw/zinc/49/53/57/375495357.db2.gz VRMKDUSEJWBORI-GOSISDBHSA-N 1 0 267.394 2.004 20 10 CECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)COCC ZINC000282519606 375505623 /nfs/dbraw/zinc/50/56/23/375505623.db2.gz SZBKLJVGBGJNOY-HNNXBMFYSA-N 1 0 281.396 2.392 20 10 CECDRO Cc1cc(C[N@@H+]2CCCC3(C2)OCCO3)ccc1N(C)C ZINC000293721942 377721879 /nfs/dbraw/zinc/72/18/79/377721879.db2.gz FUDXHBDVDHDTAV-UHFFFAOYSA-N 1 0 290.407 2.400 20 10 CECDRO Cc1cc(C[N@H+](C)CC2(CO)CC2)ccc1N(C)C ZINC000294742118 378017398 /nfs/dbraw/zinc/01/73/98/378017398.db2.gz WYELVDJHEJPEIZ-UHFFFAOYSA-N 1 0 262.397 2.265 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)C(C)(C)O)c1O ZINC000295047434 378037440 /nfs/dbraw/zinc/03/74/40/378037440.db2.gz AVWXBGNWNBSFQK-JTQLQIEISA-N 1 0 283.343 2.325 20 10 CECDRO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000294817030 378021050 /nfs/dbraw/zinc/02/10/50/378021050.db2.gz ONXPXXXYXOCQCZ-CYBMUJFWSA-N 1 0 296.342 2.194 20 10 CECDRO CC(C)(O)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294802846 378021084 /nfs/dbraw/zinc/02/10/84/378021084.db2.gz WBIXNZVSPDXWOX-UHFFFAOYSA-N 1 0 261.724 2.435 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000294804140 378021293 /nfs/dbraw/zinc/02/12/93/378021293.db2.gz PEKPETZJTQNDLP-OLZOCXBDSA-N 1 0 288.391 2.423 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](C)CCCO)c1 ZINC000294850044 378023220 /nfs/dbraw/zinc/02/32/20/378023220.db2.gz RZTIQVWYVVSITP-LBPRGKRZSA-N 1 0 267.369 2.289 20 10 CECDRO CCc1nnc([C@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)[nH]1 ZINC000297073407 378664988 /nfs/dbraw/zinc/66/49/88/378664988.db2.gz WLZYNSIBVQBIAH-GXSJLCMTSA-N 1 0 272.352 2.411 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCCO[C@@H]1CCOC1)CC2 ZINC000297540141 378686770 /nfs/dbraw/zinc/68/67/70/378686770.db2.gz DYWBIMHDKVUDBG-KGLIPLIRSA-N 1 0 277.364 2.165 20 10 CECDRO CC[NH+]1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000298673440 378796806 /nfs/dbraw/zinc/79/68/06/378796806.db2.gz WSYOJPQECYISGW-UHFFFAOYSA-N 1 0 291.395 2.018 20 10 CECDRO Oc1cccc2c1[C@H](N[C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530217566 380197195 /nfs/dbraw/zinc/19/71/95/380197195.db2.gz UAVNJYAOGDBZSK-OCCSQVGLSA-N 1 0 258.365 2.254 20 10 CECDRO CCOCc1cc(C[NH2+]C2CCN(C)CC2)ccc1OC ZINC000266113959 394660086 /nfs/dbraw/zinc/66/00/86/394660086.db2.gz NLPSRAKZEFNQDZ-UHFFFAOYSA-N 1 0 292.423 2.416 20 10 CECDRO CN(C)c1ccc(CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000092938206 394663051 /nfs/dbraw/zinc/66/30/51/394663051.db2.gz GPFQEWMIPGUVPV-INIZCTEOSA-N 1 0 261.413 2.279 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cnccn1 ZINC000151064431 394975557 /nfs/dbraw/zinc/97/55/57/394975557.db2.gz NAJQPJWZDYMFGH-AWEZNQCLSA-N 1 0 298.390 2.164 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@@]2(CCOC2)O1 ZINC000373498659 395061490 /nfs/dbraw/zinc/06/14/90/395061490.db2.gz ZYPMJJNGZUFKNJ-NVXWUHKLSA-N 1 0 291.391 2.471 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@H]3OCC[C@H]32)c1O ZINC000373490843 395061927 /nfs/dbraw/zinc/06/19/27/395061927.db2.gz RQGMGPOQNFWPGQ-CHWSQXEVSA-N 1 0 263.337 2.154 20 10 CECDRO CCC[N@H+](CCCN1CCOCC1)Cc1ccccc1O ZINC000174371580 395124091 /nfs/dbraw/zinc/12/40/91/395124091.db2.gz RWQFHYMRVMGTNW-UHFFFAOYSA-N 1 0 292.423 2.327 20 10 CECDRO Cc1cccc(C[N@H+]2CC[S@](=O)CC[C@H]2C)c1O ZINC000375929784 395104735 /nfs/dbraw/zinc/10/47/35/395104735.db2.gz DJIQVVYAFOMNHW-KZULUSFZSA-N 1 0 267.394 2.044 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293342906 395229528 /nfs/dbraw/zinc/22/95/28/395229528.db2.gz DFLBNWKTGQHRPO-AWEZNQCLSA-N 1 0 276.380 2.056 20 10 CECDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293395986 395233167 /nfs/dbraw/zinc/23/31/67/395233167.db2.gz HEEXBYDRXNTHTM-CYBMUJFWSA-N 1 0 278.396 2.302 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCO[C@@H]2CCOC2)c1 ZINC000182391971 395240958 /nfs/dbraw/zinc/24/09/58/395240958.db2.gz PUCSOOFZWJBXFE-GXTWGEPZSA-N 1 0 295.379 2.247 20 10 CECDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179557426 395194565 /nfs/dbraw/zinc/19/45/65/395194565.db2.gz ZMGHEDSENPOPRU-CYBMUJFWSA-N 1 0 278.352 2.103 20 10 CECDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000188468705 395316057 /nfs/dbraw/zinc/31/60/57/395316057.db2.gz XYASKUSVXUBQMF-CQSZACIVSA-N 1 0 291.439 2.489 20 10 CECDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000183379412 395255389 /nfs/dbraw/zinc/25/53/89/395255389.db2.gz GOVINMVGHUJOMD-GFCCVEGCSA-N 1 0 296.798 2.394 20 10 CECDRO CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1ccccc1O ZINC000183862887 395265789 /nfs/dbraw/zinc/26/57/89/395265789.db2.gz AKEGKOYMPMGIPQ-MOCULFSLSA-N 1 0 255.383 2.200 20 10 CECDRO Cc1cccc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1O ZINC000529643061 395425915 /nfs/dbraw/zinc/42/59/15/395425915.db2.gz IELASHPAZPAFAU-SFHVURJKSA-N 1 0 299.370 2.156 20 10 CECDRO OCC1([C@H]([NH2+]Cc2ccccc2O)[C@H]2CCCO2)CCC1 ZINC000365680051 296541889 /nfs/dbraw/zinc/54/18/89/296541889.db2.gz RHDWTKMWMFSJOL-HZPDHXFCSA-N 1 0 291.391 2.192 20 10 CECDRO C[C@@H]([NH2+]CCOCCO)c1ccc2ccccc2c1O ZINC000020198672 171062342 /nfs/dbraw/zinc/06/23/42/171062342.db2.gz XCTMEPANSSDTEG-GFCCVEGCSA-N 1 0 275.348 2.205 20 10 CECDRO CC(C)C[C@H](C[NH2+]Cc1ccccc1O)N(C)C ZINC000020201265 171065415 /nfs/dbraw/zinc/06/54/15/171065415.db2.gz UEFTWVDFTSWMPN-CQSZACIVSA-N 1 0 250.386 2.458 20 10 CECDRO CC[C@H]([NH2+][C@H](C)CN1CCOCC1)c1ccccc1O ZINC000036932891 260052309 /nfs/dbraw/zinc/05/23/09/260052309.db2.gz RSRDIOIWMBTULR-HIFRSBDPSA-N 1 0 278.396 2.154 20 10 CECDRO CC[NH+](CC)CCCNCc1ccc2c(c1)CCO2 ZINC000037362641 260094589 /nfs/dbraw/zinc/09/45/89/260094589.db2.gz AMNCJZJRAXOJPT-UHFFFAOYSA-N 1 0 262.397 2.443 20 10 CECDRO CCOc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000211637546 260344964 /nfs/dbraw/zinc/34/49/64/260344964.db2.gz WBWINSWUPQSJCH-BETUJISGSA-N 1 0 263.337 2.154 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000152426394 261063799 /nfs/dbraw/zinc/06/37/99/261063799.db2.gz BQBZUEFHGFKGEK-GDBMZVCRSA-N 1 0 289.423 2.414 20 10 CECDRO CC[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccccc1O ZINC000155936985 261109795 /nfs/dbraw/zinc/10/97/95/261109795.db2.gz PKOXZESLHKKWAD-GOEBONIOSA-N 1 0 292.423 2.401 20 10 CECDRO CC[C@H]([NH2+]CCN(C)CCCOC)c1ccccc1O ZINC000156028089 261111426 /nfs/dbraw/zinc/11/14/26/261111426.db2.gz 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ZINC000291241886 263120908 /nfs/dbraw/zinc/12/09/08/263120908.db2.gz LHNRZCKBKRKRPA-ZDUSSCGKSA-N 1 0 265.353 2.400 20 10 CECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292718423 263134333 /nfs/dbraw/zinc/13/43/33/263134333.db2.gz FRRIWLKMRPFLQU-KRWDZBQOSA-N 1 0 290.407 2.446 20 10 CECDRO COc1cccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1O ZINC000293051289 264918113 /nfs/dbraw/zinc/91/81/13/264918113.db2.gz ROFZXTVBLPTHPK-IAQYHMDHSA-N 1 0 265.353 2.042 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1cc(F)ccc1O ZINC000367439293 267090393 /nfs/dbraw/zinc/09/03/93/267090393.db2.gz SUJSMJIWSNDOLB-VAHXTSCQSA-N 1 0 292.354 2.239 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1O ZINC000368133455 267146757 /nfs/dbraw/zinc/14/67/57/267146757.db2.gz URJYARALXSUHDQ-RHSMWYFYSA-N 1 0 285.343 2.285 20 10 CECDRO COc1cccc(C[N@@H+]2CCOCC[C@@H]2C)c1O ZINC000368143006 267148757 /nfs/dbraw/zinc/14/87/57/267148757.db2.gz OSYZJXXWAYGYMM-NSHDSACASA-N 1 0 251.326 2.012 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368800346 267206017 /nfs/dbraw/zinc/20/60/17/267206017.db2.gz NLNAAKHSVSYBPO-LLVKDONJSA-N 1 0 253.729 2.002 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)c1 ZINC000371383638 267397745 /nfs/dbraw/zinc/39/77/45/267397745.db2.gz OUUOPXXSWNYANU-HNNXBMFYSA-N 1 0 288.391 2.191 20 10 CECDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296401116 275453687 /nfs/dbraw/zinc/45/36/87/275453687.db2.gz KIDZLIZYCMALMO-ZFWWWQNUSA-N 1 0 288.391 2.228 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1 ZINC000227975328 279169985 /nfs/dbraw/zinc/16/99/85/279169985.db2.gz YQLWHSWYEOUZFQ-YOEHRIQHSA-N 1 0 292.423 2.162 20 10 CECDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cccc(F)c3O)C[C@H]21 ZINC000378488711 290158728 /nfs/dbraw/zinc/15/87/28/290158728.db2.gz BIFCYWKXWBFESD-BXUZGUMPSA-N 1 0 264.344 2.057 20 10 CECDRO C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(F)ccc1O ZINC000185831131 327846987 /nfs/dbraw/zinc/84/69/87/327846987.db2.gz 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/nfs/dbraw/zinc/28/36/11/330283611.db2.gz YGMDNESXGGLUCI-UHFFFAOYSA-N 1 0 253.729 2.314 20 10 CECDRO CCn1nncc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000527913730 330294943 /nfs/dbraw/zinc/29/49/43/330294943.db2.gz BEVWTZXZTDRJRG-NSHDSACASA-N 1 0 260.341 2.163 20 10 CECDRO CC[C@H](C)N(C)CC[NH2+]Cc1cc(OC)ccc1O ZINC000224699059 333224462 /nfs/dbraw/zinc/22/44/62/333224462.db2.gz ZQKHEVDZTKWZJS-LBPRGKRZSA-N 1 0 266.385 2.221 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000226582987 333265302 /nfs/dbraw/zinc/26/53/02/333265302.db2.gz OZYSBXQBIVIDKW-CQSZACIVSA-N 1 0 283.343 2.207 20 10 CECDRO COc1cccc(C[NH2+]CC[C@H]2CCCCO2)c1O ZINC000227338497 333281005 /nfs/dbraw/zinc/28/10/05/333281005.db2.gz ULYPZPNUCHGPRC-CYBMUJFWSA-N 1 0 265.353 2.450 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CCO)C(C)C)c1 ZINC000230664184 333319988 /nfs/dbraw/zinc/31/99/88/333319988.db2.gz NLTIHQNIFIVZBM-FZMZJTMJSA-N 1 0 267.369 2.458 20 10 CECDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000235395894 333368861 /nfs/dbraw/zinc/36/88/61/333368861.db2.gz YGRDAZCVMFRGOB-QGZVFWFLSA-N 1 0 284.359 2.243 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000529667920 333504919 /nfs/dbraw/zinc/50/49/19/333504919.db2.gz BNZVELHFXPTMAE-LMCGPQHNSA-N 1 0 265.353 2.302 20 10 CECDRO CCOc1cccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000134202386 334084130 /nfs/dbraw/zinc/08/41/30/334084130.db2.gz GWPXGWGYZMLQBS-OAHLLOKOSA-N 1 0 290.407 2.461 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC(C)(C)C ZINC000135719347 334137015 /nfs/dbraw/zinc/13/70/15/334137015.db2.gz XDACWZXBIDJVTG-WDEREUQCSA-N 1 0 264.369 2.346 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@H](O)C2CC2)c(O)c1 ZINC000265254581 520366870 /nfs/dbraw/zinc/36/68/70/520366870.db2.gz PDPXFWZFQKMPCB-HNNXBMFYSA-N 1 0 265.353 2.042 20 10 CECDRO CCOC1CC(O)(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000277453751 521652791 /nfs/dbraw/zinc/65/27/91/521652791.db2.gz AIZASTQSIZFSAQ-UHFFFAOYSA-N 1 0 279.380 2.023 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1F ZINC000280464117 522183189 /nfs/dbraw/zinc/18/31/89/522183189.db2.gz MQENVMSYYOVHOJ-CQSZACIVSA-N 1 0 266.360 2.094 20 10 CECDRO COc1ccc(O)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000378439141 534201072 /nfs/dbraw/zinc/20/10/72/534201072.db2.gz MJZGLTXWXLJNNB-HNNXBMFYSA-N 1 0 290.407 2.461 20 10 CECDRO CC(C)(C)C(=O)NCC[NH2+]Cc1c(O)cccc1Cl ZINC000264940724 518583493 /nfs/dbraw/zinc/58/34/93/518583493.db2.gz GHPUQEQEWNKWBU-UHFFFAOYSA-N 1 0 284.787 2.298 20 10 CECDRO CCCOc1ccc(C[NH+]2CC(C(C)(C)O)C2)c(O)c1 ZINC000297520735 520349461 /nfs/dbraw/zinc/34/94/61/520349461.db2.gz YDDQCSNNNMMXJD-UHFFFAOYSA-N 1 0 279.380 2.384 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1OC ZINC000274846223 520430230 /nfs/dbraw/zinc/43/02/30/520430230.db2.gz AGZSXSAASOBENG-NUEKZKHPSA-N 1 0 279.380 2.286 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291270817 521147836 /nfs/dbraw/zinc/14/78/36/521147836.db2.gz NUSKCUWDUHSTLV-CQSZACIVSA-N 1 0 287.363 2.434 20 10 CECDRO CCOc1ccc(O)c(CN2CC[NH+](CC3CC3)CC2)c1 ZINC000130679406 521148341 /nfs/dbraw/zinc/14/83/41/521148341.db2.gz AMPRJJMNUPAUPL-UHFFFAOYSA-N 1 0 290.407 2.319 20 10 CECDRO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C[C@@H](C)OC ZINC000291273018 521294022 /nfs/dbraw/zinc/29/40/22/521294022.db2.gz ZORJRANJGDRWSI-LLVKDONJSA-N 1 0 283.368 2.266 20 10 CECDRO CCOc1cccc(C[N@H+](CCO)C2CCC2)c1O ZINC000275961317 521333551 /nfs/dbraw/zinc/33/35/51/521333551.db2.gz KDKCARGCJDTITL-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO CCOc1cccc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c1O ZINC000289364389 521334262 /nfs/dbraw/zinc/33/42/62/521334262.db2.gz KTVHJZYMDXTBNF-BETUJISGSA-N 1 0 265.353 2.400 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2cnn(C)c2C)c1O ZINC000156584921 521367414 /nfs/dbraw/zinc/36/74/14/521367414.db2.gz MQEGJJBEFXESRQ-UHFFFAOYSA-N 1 0 275.352 2.123 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2OC)c1O ZINC000274965501 521373585 /nfs/dbraw/zinc/37/35/85/521373585.db2.gz VFQNHEVUTMQPNM-XPKDYRNWSA-N 1 0 295.379 2.073 20 10 CECDRO C[NH2+]CCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000237107036 522009327 /nfs/dbraw/zinc/00/93/27/522009327.db2.gz WOTQIGMLCIAHTO-UHFFFAOYSA-N 1 0 285.391 2.352 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1F ZINC000280464116 522184647 /nfs/dbraw/zinc/18/46/47/522184647.db2.gz MQENVMSYYOVHOJ-AWEZNQCLSA-N 1 0 266.360 2.094 20 10 CECDRO CC[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccccc1O ZINC000278468813 522573168 /nfs/dbraw/zinc/57/31/68/522573168.db2.gz NLYMIOXBFDCYIW-HNNXBMFYSA-N 1 0 290.407 2.298 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H](CO)CC2CCC2)cc1OC ZINC000279953010 522782598 /nfs/dbraw/zinc/78/25/98/522782598.db2.gz ZSGYJGCZTHALFE-CYBMUJFWSA-N 1 0 295.379 2.050 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(C)cc1O ZINC000279949803 522922405 /nfs/dbraw/zinc/92/24/05/522922405.db2.gz BQHMZDCXHXRNLQ-TZMCWYRMSA-N 1 0 276.380 2.362 20 10 CECDRO CC[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(C)cc1O ZINC000280245552 522946428 /nfs/dbraw/zinc/94/64/28/522946428.db2.gz WGHBTXGVDRNHLL-HUUCEWRRSA-N 1 0 289.379 2.208 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)cc1C ZINC000279656095 524071972 /nfs/dbraw/zinc/07/19/72/524071972.db2.gz FTVNJGAYZWROBT-MRXNPFEDSA-N 1 0 290.407 2.352 20 10 CECDRO Cc1cc(C(=O)N[C@@H](C)C[NH3+])c(C)n1-c1ccccc1C ZINC000262448078 524117282 /nfs/dbraw/zinc/11/72/82/524117282.db2.gz DMZAECNXXTUDHC-LBPRGKRZSA-N 1 0 285.391 2.480 20 10 CECDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1c(O)cccc1Cl ZINC000083552027 524599772 /nfs/dbraw/zinc/59/97/72/524599772.db2.gz PIWDASFPYXCWBL-JTQLQIEISA-N 1 0 282.771 2.146 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H](C2CC2)O1 ZINC000280502525 524986265 /nfs/dbraw/zinc/98/62/65/524986265.db2.gz GGJYRRRXMVHYFK-QLJPJBMISA-N 1 0 291.347 2.120 20 10 CECDRO Cc1c([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cnn1C ZINC000042880115 525897637 /nfs/dbraw/zinc/89/76/37/525897637.db2.gz WSHVRWHJSIVIDC-SECBINFHSA-N 1 0 289.335 2.014 20 10 CECDRO COc1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1O ZINC000156077069 525959983 /nfs/dbraw/zinc/95/99/83/525959983.db2.gz RZIUZLYETRHLLE-TZMCWYRMSA-N 1 0 276.380 2.069 20 10 CECDRO Cc1cnn([C@@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)c1 ZINC000290822780 526267156 /nfs/dbraw/zinc/26/71/56/526267156.db2.gz GYWJSNGDVHIWPC-CQSZACIVSA-N 1 0 275.327 2.483 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000374271464 526347173 /nfs/dbraw/zinc/34/71/73/526347173.db2.gz ODQYZDXCZLCAEU-DZGCQCFKSA-N 1 0 297.782 2.473 20 10 CECDRO O=C(C[NH2+]Cc1ccc(N2CCCCC2)cc1)NC1CC1 ZINC000035247220 526884437 /nfs/dbraw/zinc/88/44/37/526884437.db2.gz SGBKAIKCJGSTKX-UHFFFAOYSA-N 1 0 287.407 2.045 20 10 CECDRO OC[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1C(F)(F)F ZINC000289685255 527594639 /nfs/dbraw/zinc/59/46/39/527594639.db2.gz OCCXOPSSMVIIRD-RYUDHWBXSA-N 1 0 289.297 2.385 20 10 CECDRO C[N@H+](CCn1cccn1)Cc1cc(Cl)ccc1O ZINC000125276584 649883942 /nfs/dbraw/zinc/88/39/42/649883942.db2.gz YKZVHBOUDSHNJB-UHFFFAOYSA-N 1 0 265.744 2.374 20 10 CECDRO Cc1cc(CCNC(=O)C[NH+](C)C)c(C)n1-c1ccccc1 ZINC000727366735 574450811 /nfs/dbraw/zinc/45/08/11/574450811.db2.gz NSYMVYWZSHTTKM-UHFFFAOYSA-N 1 0 299.418 2.314 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCN2CC[C@H](C)C2)c1O ZINC000761215281 574520085 /nfs/dbraw/zinc/52/00/85/574520085.db2.gz JAVJZCZYDIUXHE-NSHDSACASA-N 1 0 298.814 2.486 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000732287666 574617997 /nfs/dbraw/zinc/61/79/97/574617997.db2.gz ZKHPNKYEMJUOML-FZMZJTMJSA-N 1 0 292.379 2.062 20 10 CECDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733326122 574664352 /nfs/dbraw/zinc/66/43/52/574664352.db2.gz KAYZHHRSSIONDG-LBPRGKRZSA-N 1 0 288.370 2.403 20 10 CECDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C1=CC(=O)CS1 ZINC000733809359 574687293 /nfs/dbraw/zinc/68/72/93/574687293.db2.gz JPPXRZAQGPCTOR-UHFFFAOYSA-N 1 0 286.316 2.287 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756576525 574821966 /nfs/dbraw/zinc/82/19/66/574821966.db2.gz NMHGRFZBHKLJLI-TVQRCGJNSA-N 1 0 273.760 2.094 20 10 CECDRO COC[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000739872467 574935189 /nfs/dbraw/zinc/93/51/89/574935189.db2.gz PRPIPMYHJMCZCN-LBPRGKRZSA-N 1 0 272.348 2.409 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000740899577 574971060 /nfs/dbraw/zinc/97/10/60/574971060.db2.gz JGYCJEMBXMOBIG-OAHLLOKOSA-N 1 0 293.388 2.460 20 10 CECDRO CCOc1ccc(C[NH2+]C(C)(C)CC(=O)OC)c(O)c1 ZINC000741254810 574979466 /nfs/dbraw/zinc/97/94/66/574979466.db2.gz FSUWJUKQGZPZSO-UHFFFAOYSA-N 1 0 281.352 2.222 20 10 CECDRO CCOCc1cc(C[NH2+][C@H](C)COC)ccc1OC ZINC000747855099 575175894 /nfs/dbraw/zinc/17/58/94/575175894.db2.gz ZXZONKLWQZBYCQ-GFCCVEGCSA-N 1 0 267.369 2.356 20 10 CECDRO C[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccncc1 ZINC000749294403 575212886 /nfs/dbraw/zinc/21/28/86/575212886.db2.gz GQIBHVBEKUBEQF-NSHDSACASA-N 1 0 286.331 2.409 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1O ZINC000824612074 608457858 /nfs/dbraw/zinc/45/78/58/608457858.db2.gz IQGZAGDCGDEOPV-LLVKDONJSA-N 1 0 295.346 2.423 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@H](C)O)CC2)cc1 ZINC000806171229 622912228 /nfs/dbraw/zinc/91/22/28/622912228.db2.gz XAYGCHINXLBFFG-QWHCGFSZSA-N 1 0 278.396 2.023 20 10 CECDRO CC[NH+](CC)CC(=O)NCc1cccc(Cl)c1O ZINC000890758422 622929267 /nfs/dbraw/zinc/92/92/67/622929267.db2.gz XLDIJPZJJYGCMN-UHFFFAOYSA-N 1 0 270.760 2.004 20 10 CECDRO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000049948963 623271522 /nfs/dbraw/zinc/27/15/22/623271522.db2.gz TYDFCUXKKHEICF-SJORKVTESA-N 1 0 290.407 2.180 20 10 CECDRO CCOC(C[NH2+][C@H](C)c1cc(OC)ccc1O)OCC ZINC000093447041 623624418 /nfs/dbraw/zinc/62/44/18/623624418.db2.gz NQELOQHWAQQZOF-LLVKDONJSA-N 1 0 283.368 2.451 20 10 CECDRO COc1ccc(C[N@H+](C)C[C@H]2CCCOC2)c(O)c1OC ZINC000891948490 624133219 /nfs/dbraw/zinc/13/32/19/624133219.db2.gz JSZNQNUFKYQVIN-GFCCVEGCSA-N 1 0 295.379 2.268 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@H]2C)c(O)c1OC ZINC000892020623 624256251 /nfs/dbraw/zinc/25/62/51/624256251.db2.gz ZSUGGZLYTBOHHN-SNVBAGLBSA-N 1 0 251.326 2.394 20 10 CECDRO OCCC1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000157319074 624973403 /nfs/dbraw/zinc/97/34/03/624973403.db2.gz PCKZNEYHZQKNFC-UHFFFAOYSA-N 1 0 255.745 2.298 20 10 CECDRO Cn1cncc1C[NH2+]CCCSc1nccs1 ZINC000176797384 624994654 /nfs/dbraw/zinc/99/46/54/624994654.db2.gz DWVDOZKLKCEGDN-UHFFFAOYSA-N 1 0 268.411 2.149 20 10 CECDRO CC(C)[NH+]1CCC(N(C)C(=O)C2=CC(=O)CS2)CC1 ZINC000820546794 634445250 /nfs/dbraw/zinc/44/52/50/634445250.db2.gz QZBXQARGZOCMOD-UHFFFAOYSA-N 1 0 282.409 2.399 20 10 CECDRO COc1ccc(C[NH2+]Cc2c(O)cccc2OC)cc1O ZINC000725851517 625957855 /nfs/dbraw/zinc/95/78/55/625957855.db2.gz SJUGHXCWQNWFAE-UHFFFAOYSA-N 1 0 289.331 2.405 20 10 CECDRO COc1ccc(C[NH2+]C[C@@](C)(OC)C2CC2)c(O)c1 ZINC000311629229 627683297 /nfs/dbraw/zinc/68/32/97/627683297.db2.gz YTJMXMSBZYBEJT-OAHLLOKOSA-N 1 0 265.353 2.306 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H]1CCOC1 ZINC000840892576 627734894 /nfs/dbraw/zinc/73/48/94/627734894.db2.gz BIMUBWNUZBFRMX-HIFRSBDPSA-N 1 0 262.397 2.371 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H]2COC(C)(C)O2)cc1F ZINC000892738811 627741328 /nfs/dbraw/zinc/74/13/28/627741328.db2.gz XONVDNBOVXBDMO-LBPRGKRZSA-N 1 0 282.359 2.133 20 10 CECDRO COCCN1CC[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000840895408 627883860 /nfs/dbraw/zinc/88/38/60/627883860.db2.gz LKWCHDMWMYTLJT-LBPRGKRZSA-N 1 0 298.814 2.164 20 10 CECDRO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000312651259 628358593 /nfs/dbraw/zinc/35/85/93/628358593.db2.gz FNLNXBKJSVPHAC-GFCCVEGCSA-N 1 0 276.380 2.274 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)CCN2CCCC2=O)cc1C ZINC000093320278 628636031 /nfs/dbraw/zinc/63/60/31/628636031.db2.gz LGLMYAUUUJXSPI-UHFFFAOYSA-N 1 0 276.380 2.063 20 10 CECDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C\C3CC3)cc2)CC1 ZINC000893608567 628787012 /nfs/dbraw/zinc/78/70/12/628787012.db2.gz WTLKUGVRAPVDNP-TWGQIWQCSA-N 1 0 299.418 2.021 20 10 CECDRO C/C=C(\C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000893608690 628787349 /nfs/dbraw/zinc/78/73/49/628787349.db2.gz ZOWFODMBNUAWLE-LNKIKWGQSA-N 1 0 287.407 2.021 20 10 CECDRO COc1ccc(N(C)CC[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000259082083 628791186 /nfs/dbraw/zinc/79/11/86/628791186.db2.gz SUEAWAGTPRURTP-LBPRGKRZSA-N 1 0 264.369 2.140 20 10 CECDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000224268509 628874945 /nfs/dbraw/zinc/87/49/45/628874945.db2.gz NJNHJKGBDNDCCD-HNNXBMFYSA-N 1 0 250.386 2.249 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000094752514 628934295 /nfs/dbraw/zinc/93/42/95/628934295.db2.gz HOYPRJDYUUZGIE-CVEARBPZSA-N 1 0 289.423 2.276 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)C2(OC)CCC2)c1 ZINC000840970019 628954991 /nfs/dbraw/zinc/95/49/91/628954991.db2.gz OERURGMBUGDBCT-LLVKDONJSA-N 1 0 265.353 2.448 20 10 CECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000840975149 628978813 /nfs/dbraw/zinc/97/88/13/628978813.db2.gz LUWBPGZDKQIHFF-MRXNPFEDSA-N 1 0 277.364 2.476 20 10 CECDRO COc1ccc(C[NH2+]CCOC(F)(F)F)c(O)c1OC ZINC000893957962 629064657 /nfs/dbraw/zinc/06/46/57/629064657.db2.gz VPRINSHXMVAZOD-UHFFFAOYSA-N 1 0 295.257 2.035 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCc2cccnc2)c1O ZINC000894169653 629184670 /nfs/dbraw/zinc/18/46/70/629184670.db2.gz IIDDGZOXVSLILG-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO CN1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000261305291 629229915 /nfs/dbraw/zinc/22/99/15/629229915.db2.gz JHIDIJNZWSFOAD-UHFFFAOYSA-N 1 0 256.349 2.293 20 10 CECDRO CC1=C(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000794878383 629344572 /nfs/dbraw/zinc/34/45/72/629344572.db2.gz CQRHWGAWGKHNOQ-OAHLLOKOSA-N 1 0 275.348 2.360 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCOC[C@@H]2C)c1O ZINC000894564645 629535394 /nfs/dbraw/zinc/53/53/94/629535394.db2.gz BEDGESSEKGHQSA-AAEUAGOBSA-N 1 0 265.353 2.224 20 10 CECDRO COc1cc(Cl)cc(CN[C@@H](CC[NH3+])C(F)F)c1O ZINC000841073606 634752141 /nfs/dbraw/zinc/75/21/41/634752141.db2.gz HLUATTWWSMAHKM-VIFPVBQESA-N 1 0 294.729 2.126 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1O ZINC000894865129 629702906 /nfs/dbraw/zinc/70/29/06/629702906.db2.gz MRJNXHJMXKNKFD-LRDDRELGSA-N 1 0 279.380 2.350 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CO)CC2)c1O ZINC000894866033 629703036 /nfs/dbraw/zinc/70/30/36/629703036.db2.gz FDPPAKLHFHGLBN-CYBMUJFWSA-N 1 0 279.380 2.304 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H](O)C(F)F ZINC000894882028 629715896 /nfs/dbraw/zinc/71/58/96/629715896.db2.gz UEWVQMCDYFHVBG-MFKMUULPSA-N 1 0 289.322 2.203 20 10 CECDRO COc1cc(C[NH2+]C[C@@H]2COCO2)c(O)c(C(C)(C)C)c1 ZINC000894886044 629722858 /nfs/dbraw/zinc/72/28/58/629722858.db2.gz UGLVKRRETOUGSW-CYBMUJFWSA-N 1 0 295.379 2.161 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CS[C@H](C)C2)c(O)c1OC ZINC000894903142 629743268 /nfs/dbraw/zinc/74/32/68/629743268.db2.gz KGTIZNKTMYGYIF-KOLCDFICSA-N 1 0 283.393 2.393 20 10 CECDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000894974253 629776470 /nfs/dbraw/zinc/77/64/70/629776470.db2.gz FTAIQLKREUFSFS-STQMWFEESA-N 1 0 295.379 2.457 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccn(C)n2)c1O ZINC000894984509 629784587 /nfs/dbraw/zinc/78/45/87/629784587.db2.gz JTJVVSBBLWZBCV-LLVKDONJSA-N 1 0 275.352 2.294 20 10 CECDRO Cc1nnc([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000895007515 629800007 /nfs/dbraw/zinc/80/00/07/629800007.db2.gz JTALZXLTVCZJIB-SNVBAGLBSA-N 1 0 292.770 2.462 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cnc[nH]3)C2)cc1 ZINC000895051882 629823748 /nfs/dbraw/zinc/82/37/48/629823748.db2.gz SSEPCHPQCJTZHU-CYBMUJFWSA-N 1 0 286.379 2.034 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC2CSC2)c1 ZINC000895422459 630185125 /nfs/dbraw/zinc/18/51/25/630185125.db2.gz FXALEDJWNRIHNV-UHFFFAOYSA-N 1 0 253.367 2.244 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c1O ZINC000895461195 630203186 /nfs/dbraw/zinc/20/31/86/630203186.db2.gz ZFZUMVGUONBEML-ZDUSSCGKSA-N 1 0 279.380 2.302 20 10 CECDRO FC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895575929 630255695 /nfs/dbraw/zinc/25/56/95/630255695.db2.gz WEDRBWMNRKJBQZ-AWEZNQCLSA-N 1 0 296.361 2.454 20 10 CECDRO Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccoc2)c(O)c1 ZINC000895583996 630260265 /nfs/dbraw/zinc/26/02/65/630260265.db2.gz AWINNOMVYAAWDU-AWEZNQCLSA-N 1 0 275.348 2.234 20 10 CECDRO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895654533 630290436 /nfs/dbraw/zinc/29/04/36/630290436.db2.gz SIULTKMKBOGMPL-GWCFXTLKSA-N 1 0 298.180 2.030 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895776628 630341089 /nfs/dbraw/zinc/34/10/89/630341089.db2.gz IXAWMUSQCNUGRP-AOOOYVTPSA-N 1 0 271.332 2.465 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@H](SC)C2)c(O)c1OC ZINC000895776749 630341198 /nfs/dbraw/zinc/34/11/98/630341198.db2.gz AFDGFCYTCMQFLA-XYPYZODXSA-N 1 0 283.393 2.393 20 10 CECDRO CCO[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000897067667 630915021 /nfs/dbraw/zinc/91/50/21/630915021.db2.gz BUHJBDYXGJYMQS-LBPRGKRZSA-N 1 0 281.352 2.020 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CCCC[C@@H]2OC)cc1OC ZINC000799740600 631074469 /nfs/dbraw/zinc/07/44/69/631074469.db2.gz VJKNMZNRFFLATJ-JSGCOSHPSA-N 1 0 295.379 2.457 20 10 CECDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCCNC1=O ZINC000801595534 631295931 /nfs/dbraw/zinc/29/59/31/631295931.db2.gz FIQNABFBEDVAGM-CQSZACIVSA-N 1 0 276.380 2.273 20 10 CECDRO CC[C@@H](CO)[N@H+](C)Cc1c(O)cccc1Br ZINC000862381804 631334709 /nfs/dbraw/zinc/33/47/09/631334709.db2.gz HYNLMZSCNSHZHF-VIFPVBQESA-N 1 0 288.185 2.357 20 10 CECDRO C[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H]1C)c1ccccc1O ZINC000897518236 631612121 /nfs/dbraw/zinc/61/21/21/631612121.db2.gz HVINPPGMCYLDJC-STQMWFEESA-N 1 0 291.395 2.237 20 10 CECDRO COc1ccc(N2CCC([NH2+]Cc3ncc[nH]3)CC2)cc1 ZINC000067696790 631668247 /nfs/dbraw/zinc/66/82/47/631668247.db2.gz DKCUZVKDNBZLDD-UHFFFAOYSA-N 1 0 286.379 2.177 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C(=O)NC ZINC000841752830 631725130 /nfs/dbraw/zinc/72/51/30/631725130.db2.gz CKUQRUOGYQXCFD-LDYMZIIASA-N 1 0 270.760 2.221 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cnn(CCF)c1 ZINC000897728986 631885874 /nfs/dbraw/zinc/88/58/74/631885874.db2.gz RUELAXSUDNVLCA-UHFFFAOYSA-N 1 0 285.269 2.126 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CC(N)=O)c1O ZINC000808703598 632002685 /nfs/dbraw/zinc/00/26/85/632002685.db2.gz PCDWQEKDINWNNQ-RKDXNWHRSA-N 1 0 270.760 2.269 20 10 CECDRO CCOc1ccc(O)c(CN(C)CC[NH+]2CCCC2)c1 ZINC000809738048 632135238 /nfs/dbraw/zinc/13/52/38/632135238.db2.gz QJLCGLMLVUVLCQ-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO COc1cccc(C[NH2+]Cc2ccc(F)nc2)c1O ZINC000809740001 632135532 /nfs/dbraw/zinc/13/55/32/632135532.db2.gz JTCGZYGYFBIGMN-UHFFFAOYSA-N 1 0 262.284 2.225 20 10 CECDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000809777494 632144590 /nfs/dbraw/zinc/14/45/90/632144590.db2.gz ALYRCYWIEUQFAP-CQSZACIVSA-N 1 0 276.380 2.130 20 10 CECDRO CCOc1ccc(C[NH2+][C@@](C)(CO)C(C)C)c(O)c1 ZINC000810172986 632191043 /nfs/dbraw/zinc/19/10/43/632191043.db2.gz SXLFDQXWAXEBGR-HNNXBMFYSA-N 1 0 267.369 2.288 20 10 CECDRO COCC[C@H](COC)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000810173817 632192068 /nfs/dbraw/zinc/19/20/68/632192068.db2.gz KFHRXOJHIXUOLJ-CYBMUJFWSA-N 1 0 284.375 2.033 20 10 CECDRO CC[C@](C)(C[NH2+]Cc1cc(OC)ccc1O)OC ZINC000322495067 632214121 /nfs/dbraw/zinc/21/41/21/632214121.db2.gz DRSLEJXUKZQBIG-CQSZACIVSA-N 1 0 253.342 2.306 20 10 CECDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000322574501 632223249 /nfs/dbraw/zinc/22/32/49/632223249.db2.gz ZVPGDWLNUVXFMH-CQSZACIVSA-N 1 0 289.423 2.291 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2(CC(N)=O)CC2)cc1Cl ZINC000826131218 635764587 /nfs/dbraw/zinc/76/45/87/635764587.db2.gz PXYWIKWVYSBEPF-UHFFFAOYSA-N 1 0 282.771 2.099 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2NCCc3ccccc32)c1 ZINC000841068730 632462104 /nfs/dbraw/zinc/46/21/04/632462104.db2.gz IMNLFOFQCUPRLX-KRWDZBQOSA-N 1 0 298.386 2.377 20 10 CECDRO CC[N@H+](Cc1cc(OC)c(C)cc1O)[C@H]1CCOC1 ZINC000812298774 632503980 /nfs/dbraw/zinc/50/39/80/632503980.db2.gz SFVIRIJTIGNSQE-ZDUSSCGKSA-N 1 0 265.353 2.320 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@](C)(OC)C2CC2)cc1OC ZINC000812772241 632575178 /nfs/dbraw/zinc/57/51/78/632575178.db2.gz BTMVNSVLUZDLKY-INIZCTEOSA-N 1 0 295.379 2.314 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](O)C2(C)C)c(O)c1 ZINC000812779598 632577057 /nfs/dbraw/zinc/57/70/57/632577057.db2.gz SNMREJUJOXTALV-CQSZACIVSA-N 1 0 265.353 2.136 20 10 CECDRO C[C@H](NC(=[NH2+])NCc1cc(Cl)ccc1O)C1CC1 ZINC000899275861 632771009 /nfs/dbraw/zinc/77/10/09/632771009.db2.gz IZYSWTWXNYBBKA-QMMMGPOBSA-N 1 0 267.760 2.458 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000815111453 632961577 /nfs/dbraw/zinc/96/15/77/632961577.db2.gz LYGCXNHUCZPHBB-HNNXBMFYSA-N 1 0 266.360 2.049 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2CCOC)cc1 ZINC000815118414 632962931 /nfs/dbraw/zinc/96/29/31/632962931.db2.gz HHJQTUOKZXDBNX-KRWDZBQOSA-N 1 0 292.423 2.380 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c(O)c1 ZINC000815598248 633036916 /nfs/dbraw/zinc/03/69/16/633036916.db2.gz QBYIXZWRXWRWLV-VXGBXAGGSA-N 1 0 285.409 2.093 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCc2cnn(C)n2)c1 ZINC000815639543 633041831 /nfs/dbraw/zinc/04/18/31/633041831.db2.gz ALLMOQGVCSPPKL-LBPRGKRZSA-N 1 0 274.368 2.113 20 10 CECDRO CO[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1OC ZINC000816591702 633418266 /nfs/dbraw/zinc/41/82/66/633418266.db2.gz LRWYCWAVBKDCBM-IYBDPMFKSA-N 1 0 287.359 2.391 20 10 CECDRO Oc1c(C[NH2+]C[C@@H](O)C2CC2)ccc2ccccc21 ZINC000816610331 633421499 /nfs/dbraw/zinc/42/14/99/633421499.db2.gz GYRBLWUWGJRIBU-OAHLLOKOSA-N 1 0 257.333 2.406 20 10 CECDRO CCCN1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)CC1=O ZINC000817410314 633649755 /nfs/dbraw/zinc/64/97/55/633649755.db2.gz AIQZESXDZKZCLX-HNNXBMFYSA-N 1 0 290.407 2.352 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c(O)c1 ZINC000817412578 633651293 /nfs/dbraw/zinc/65/12/93/633651293.db2.gz MVWFCQXTLISADQ-OLZOCXBDSA-N 1 0 279.380 2.241 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)c(O)c1 ZINC000817415454 633654923 /nfs/dbraw/zinc/65/49/23/633654923.db2.gz XGPVANFZKGAWLP-AAEUAGOBSA-N 1 0 265.353 2.136 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000817418972 633655566 /nfs/dbraw/zinc/65/55/66/633655566.db2.gz MURNBSJGNDMAEH-ZDUSSCGKSA-N 1 0 279.380 2.385 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)cc1 ZINC000817587571 633702857 /nfs/dbraw/zinc/70/28/57/633702857.db2.gz YZMRRGOADPEYIE-CYBMUJFWSA-N 1 0 289.423 2.449 20 10 CECDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(F)c2[O-])C[C@H]1C[NH3+] ZINC000817866287 633747585 /nfs/dbraw/zinc/74/75/85/633747585.db2.gz WWHDCIZOHXOKFR-NQBHXWOUSA-N 1 0 266.360 2.337 20 10 CECDRO Cc1cc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000817944315 633791193 /nfs/dbraw/zinc/79/11/93/633791193.db2.gz ZCLSPZQGXWHMER-DOMZBBRYSA-N 1 0 288.395 2.400 20 10 CECDRO C[NH2+]CCN[C@@H](C)c1cc(Br)cc(C)c1O ZINC000817952819 633792857 /nfs/dbraw/zinc/79/28/57/633792857.db2.gz ULOBYKJNWNHBCI-VIFPVBQESA-N 1 0 287.201 2.333 20 10 CECDRO C[C@H]1C[C@H](NCC[NH2+]C2CC2)c2c1c(F)ccc2O ZINC000817951946 633796561 /nfs/dbraw/zinc/79/65/61/633796561.db2.gz BRSSXYRFPFPCGX-CABZTGNLSA-N 1 0 264.344 2.421 20 10 CECDRO C[C@H](NC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1O ZINC000817952537 633797745 /nfs/dbraw/zinc/79/77/45/633797745.db2.gz RMZBOPIPBXVTON-GXSJLCMTSA-N 1 0 254.761 2.448 20 10 CECDRO C[C@H](NCC(C)(C)[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817961030 633803699 /nfs/dbraw/zinc/80/36/99/633803699.db2.gz WJZDJZFJOLZDNE-LBPRGKRZSA-N 1 0 295.402 2.050 20 10 CECDRO C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817965513 633808171 /nfs/dbraw/zinc/80/81/71/633808171.db2.gz WJAXCZASCFWKTL-LLVKDONJSA-N 1 0 293.367 2.341 20 10 CECDRO CC[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817966993 633810263 /nfs/dbraw/zinc/81/02/63/633810263.db2.gz BJXXCLITSGDXMH-AWEZNQCLSA-N 1 0 264.344 2.492 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817967860 633810485 /nfs/dbraw/zinc/81/04/85/633810485.db2.gz CVWAEUYSXKSFPB-GHMZBOCLSA-N 1 0 279.340 2.093 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000817976419 633819595 /nfs/dbraw/zinc/81/95/95/633819595.db2.gz LUGJVKKJJCVAOU-RYUDHWBXSA-N 1 0 294.395 2.347 20 10 CECDRO C[C@@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817977749 633821048 /nfs/dbraw/zinc/82/10/48/633821048.db2.gz OCIQQWVBASRZCU-AGIUHOORSA-N 1 0 295.402 2.049 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)c2c1c(F)ccc2O ZINC000818357988 633914931 /nfs/dbraw/zinc/91/49/31/633914931.db2.gz MKQIJUMPITXDPI-QCNRFFRDSA-N 1 0 251.301 2.193 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000818614615 633960939 /nfs/dbraw/zinc/96/09/39/633960939.db2.gz CWTUEICNTKVSLR-ZLKJLUDKSA-N 1 0 292.379 2.099 20 10 CECDRO CSC[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818954536 634015196 /nfs/dbraw/zinc/01/51/96/634015196.db2.gz UUEDVUUPMJMOAK-HNNXBMFYSA-N 1 0 280.437 2.100 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CC(F)(F)F)cc1F ZINC000818985076 634029015 /nfs/dbraw/zinc/02/90/15/634029015.db2.gz MWEIORRUABRMTE-SNVBAGLBSA-N 1 0 294.292 2.295 20 10 CECDRO CC[NH+](CC)CCOc1ccccc1NC[C@H](C)O ZINC000819435472 634181461 /nfs/dbraw/zinc/18/14/61/634181461.db2.gz MTIUDZQEOUKTSP-ZDUSSCGKSA-N 1 0 266.385 2.200 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000819897038 634276561 /nfs/dbraw/zinc/27/65/61/634276561.db2.gz NUJKQTRDAOPYQG-HNNXBMFYSA-N 1 0 286.379 2.438 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1O ZINC000822504600 634932779 /nfs/dbraw/zinc/93/27/79/634932779.db2.gz WXSFTSIANICLDJ-CQSZACIVSA-N 1 0 272.352 2.129 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCCOCC2)c1 ZINC000903226516 635014380 /nfs/dbraw/zinc/01/43/80/635014380.db2.gz GNSODLIPIUNGGA-AWEZNQCLSA-N 1 0 278.396 2.074 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C)c2c1c(F)ccc2O ZINC000903317403 635064037 /nfs/dbraw/zinc/06/40/37/635064037.db2.gz KGGHHEVWHDIFNG-JFGNBEQYSA-N 1 0 264.344 2.373 20 10 CECDRO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1cccc(Cl)c1[O-] ZINC000825129690 635574873 /nfs/dbraw/zinc/57/48/73/635574873.db2.gz ATCAKFWQASLBTA-ZWNOBZJWSA-N 1 0 285.771 2.017 20 10 CECDRO COC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000825158532 635582203 /nfs/dbraw/zinc/58/22/03/635582203.db2.gz OZDQYZMPAUHUQQ-HNNXBMFYSA-N 1 0 299.798 2.185 20 10 CECDRO [NH3+]CC[C@@H](NCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000904358315 635590478 /nfs/dbraw/zinc/59/04/78/635590478.db2.gz KVPOZRUDEPCHCW-CYBMUJFWSA-N 1 0 288.313 2.381 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](O)C2CCC2)c1 ZINC000825240018 635597221 /nfs/dbraw/zinc/59/72/21/635597221.db2.gz FOCQUJOIGDZWNK-OAHLLOKOSA-N 1 0 265.353 2.042 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)C2CCC2)cc1F ZINC000825241218 635598428 /nfs/dbraw/zinc/59/84/28/635598428.db2.gz XNCTVGRTCXIBJO-OAHLLOKOSA-N 1 0 266.360 2.142 20 10 CECDRO Cc1cc(O)c(C[NH2+]C2CCC(C(N)=O)CC2)cc1Cl ZINC000825278932 635605813 /nfs/dbraw/zinc/60/58/13/635605813.db2.gz PSIGEWHKLGRRBX-UHFFFAOYSA-N 1 0 296.798 2.488 20 10 CECDRO COc1cccc(CN2CC[C@]3(C2)CCCC[NH2+]3)c1O ZINC000904429914 635625486 /nfs/dbraw/zinc/62/54/86/635625486.db2.gz BJBJXKNPOXULOV-INIZCTEOSA-N 1 0 276.380 2.119 20 10 CECDRO CC1(C)C[NH2+]C[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000904461640 635634153 /nfs/dbraw/zinc/63/41/53/635634153.db2.gz LAVSSJOOSWBZJR-OAHLLOKOSA-N 1 0 260.381 2.099 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)c1 ZINC000904462588 635635113 /nfs/dbraw/zinc/63/51/13/635635113.db2.gz XAMARYXLIIDORX-NVXWUHKLSA-N 1 0 268.360 2.415 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1Cl ZINC000826120463 635763828 /nfs/dbraw/zinc/76/38/28/635763828.db2.gz DPUJLHPNBJNLRD-RISCZKNCSA-N 1 0 299.798 2.231 20 10 CECDRO C[C@@](O)(C[NH2+]CCCSc1nccs1)C(F)F ZINC000905112872 635820805 /nfs/dbraw/zinc/82/08/05/635820805.db2.gz XRBHEMIXDIJWSX-SNVBAGLBSA-N 1 0 282.381 2.231 20 10 CECDRO COC1CC(CC[NH2+]Cc2cc(F)ccc2O)C1 ZINC000826796666 635848918 /nfs/dbraw/zinc/84/89/18/635848918.db2.gz MOYOQZLULJLZKZ-UHFFFAOYSA-N 1 0 253.317 2.436 20 10 CECDRO COC[C@H](CC[NH2+]Cc1cc(Cl)c(C)cc1O)OC ZINC000826838119 635857476 /nfs/dbraw/zinc/85/74/76/635857476.db2.gz DJOBZKMBBIVGDG-LBPRGKRZSA-N 1 0 287.787 2.495 20 10 CECDRO Cc1cc(Br)cc(C[NH2+]C/C=C/CO)c1O ZINC000826936762 636166976 /nfs/dbraw/zinc/16/69/76/636166976.db2.gz DUPKOZHSTKXJGU-NSCUHMNNSA-N 1 0 286.169 2.101 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@@H]2COCCO2)cc1 ZINC000827140355 636233425 /nfs/dbraw/zinc/23/34/25/636233425.db2.gz KWLSCFYHBPSQJJ-VGOKWCNXSA-N 1 0 290.407 2.113 20 10 CECDRO Cc1cc(O)c(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)cc1C ZINC000827151740 636237259 /nfs/dbraw/zinc/23/72/59/636237259.db2.gz IWGLLSWCQUIKOZ-CHWSQXEVSA-N 1 0 263.381 2.458 20 10 CECDRO CCN(CC)c1ccc(C[N@H+]2CCC(=O)N(C)CC2)cc1 ZINC000827359953 636304278 /nfs/dbraw/zinc/30/42/78/636304278.db2.gz XBQITFSMGWALMH-UHFFFAOYSA-N 1 0 289.423 2.197 20 10 CECDRO COC(=O)N(C)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000827376816 636310423 /nfs/dbraw/zinc/31/04/23/636310423.db2.gz IDPBATUBDBCJBJ-UHFFFAOYSA-N 1 0 288.347 2.333 20 10 CECDRO COC(=O)[C@H]1C[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000827501382 636338545 /nfs/dbraw/zinc/33/85/45/636338545.db2.gz WNCSTBSCBIDXKB-ZTXBFCOASA-N 1 0 288.391 2.307 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)cc1C ZINC000827700048 636398145 /nfs/dbraw/zinc/39/81/45/636398145.db2.gz OTFCIXXGQNNCSZ-CZUORRHYSA-N 1 0 263.381 2.459 20 10 CECDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000827913695 636458421 /nfs/dbraw/zinc/45/84/21/636458421.db2.gz HIDGHRWWHFVNQH-QGZVFWFLSA-N 1 0 289.423 2.203 20 10 CECDRO COC(=O)NC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000827934446 636462673 /nfs/dbraw/zinc/46/26/73/636462673.db2.gz KXOAGBPHXVVVIT-UHFFFAOYSA-N 1 0 298.770 2.366 20 10 CECDRO CCCC[N@H+](CC[S@@](C)=O)Cc1ccccc1O ZINC000829515751 636872843 /nfs/dbraw/zinc/87/28/43/636872843.db2.gz GEMKMTYGBQITDC-GOSISDBHSA-N 1 0 269.410 2.373 20 10 CECDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1C ZINC000829764062 636924418 /nfs/dbraw/zinc/92/44/18/636924418.db2.gz FJQNKNOTAYJFGB-JKSUJKDBSA-N 1 0 289.423 2.065 20 10 CECDRO CCOC(=O)C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876526489 650304797 /nfs/dbraw/zinc/30/47/97/650304797.db2.gz WDNVNMDHWIGEOP-UHFFFAOYSA-N 1 0 277.364 2.476 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1 ZINC000831180802 637247861 /nfs/dbraw/zinc/24/78/61/637247861.db2.gz AKFXFGZQRURLLM-HNNXBMFYSA-N 1 0 284.350 2.345 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000831211265 637255964 /nfs/dbraw/zinc/25/59/64/637255964.db2.gz FEDHDSYDIJNCIB-CHWSQXEVSA-N 1 0 293.411 2.440 20 10 CECDRO CC(C)[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272296 637530171 /nfs/dbraw/zinc/53/01/71/637530171.db2.gz DUZCMNIMNRMUPT-SWLSCSKDSA-N 1 0 277.412 2.161 20 10 CECDRO CC[C@@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278530 637531660 /nfs/dbraw/zinc/53/16/60/637531660.db2.gz DSEJKEIAMDQAGW-DOMZBBRYSA-N 1 0 277.412 2.305 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C=C2CCCC2)cc1 ZINC000832281977 637533105 /nfs/dbraw/zinc/53/31/05/637533105.db2.gz WQKBDBMLAQGIKA-INIZCTEOSA-N 1 0 287.407 2.369 20 10 CECDRO COc1ccccc1N(C)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876599815 650353552 /nfs/dbraw/zinc/35/35/52/650353552.db2.gz BADNYBQYIBJBBU-XPSMFNQNSA-N 1 0 274.364 2.214 20 10 CECDRO CN(C(=O)/C=C\[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000876600752 650354734 /nfs/dbraw/zinc/35/47/34/650354734.db2.gz MJILAEIBAXDVIL-TWLAMCEISA-N 1 0 262.328 2.344 20 10 CECDRO CN(C)[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000834518684 637851411 /nfs/dbraw/zinc/85/14/11/637851411.db2.gz MGNUFBIWZVKZNR-UONOGXRCSA-N 1 0 260.381 2.309 20 10 CECDRO COC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834559114 637865852 /nfs/dbraw/zinc/86/58/52/637865852.db2.gz ZPJYWGFEJRMOBR-OLZOCXBDSA-N 1 0 290.363 2.200 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834902838 637982714 /nfs/dbraw/zinc/98/27/14/637982714.db2.gz DJXLJJXOXZSQDA-LEJCRSTHSA-N 1 0 295.354 2.473 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000834907037 637983903 /nfs/dbraw/zinc/98/39/03/637983903.db2.gz LHYQXIHMPUXGRD-KWCYVHTRSA-N 1 0 275.396 2.057 20 10 CECDRO CC[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccccc1O ZINC000834908863 637984863 /nfs/dbraw/zinc/98/48/63/637984863.db2.gz MJHMPXJNDGTMFB-SWLSCSKDSA-N 1 0 262.353 2.102 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c1 ZINC000834910331 637986377 /nfs/dbraw/zinc/98/63/77/637986377.db2.gz WMPZDSWORBROLB-ABAIWWIYSA-N 1 0 262.353 2.020 20 10 CECDRO C[C@@H](O)CC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835030739 638032088 /nfs/dbraw/zinc/03/20/88/638032088.db2.gz YSYUPFIPLVKYKR-GEXIGZQTSA-N 1 0 262.397 2.469 20 10 CECDRO CSC[C@@](C)(O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835040597 638034916 /nfs/dbraw/zinc/03/49/16/638034916.db2.gz QJJBGIGYEFAXSW-KJPDOMRESA-N 1 0 294.464 2.469 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000835046114 638036991 /nfs/dbraw/zinc/03/69/91/638036991.db2.gz SSGKMRDBHLRIDM-PIXXYMSQSA-N 1 0 272.392 2.080 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1 ZINC000835055219 638041217 /nfs/dbraw/zinc/04/12/17/638041217.db2.gz XEUFDFZONFICPL-KJPDOMRESA-N 1 0 274.408 2.469 20 10 CECDRO Cc1cnc(CC[NH2+]Cc2cc(C)c(C)cc2O)cn1 ZINC000835062124 638044763 /nfs/dbraw/zinc/04/47/63/638044763.db2.gz RNHGNOZXCOQMSM-UHFFFAOYSA-N 1 0 271.364 2.440 20 10 CECDRO CCC1C[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000835075642 638049909 /nfs/dbraw/zinc/04/99/09/638049909.db2.gz XQDNRKHPYXDJMC-UHFFFAOYSA-N 1 0 266.297 2.151 20 10 CECDRO COc1ccc(N(C)C(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1F ZINC000876691695 650402703 /nfs/dbraw/zinc/40/27/03/650402703.db2.gz OLBCBADNHIJYCZ-FZKGZDJFSA-N 1 0 292.354 2.353 20 10 CECDRO C[N@H+](CC(=O)NCc1ccc2cccnc2c1O)C1CCC1 ZINC000911261726 638268621 /nfs/dbraw/zinc/26/86/21/638268621.db2.gz LKYPDVTUVXHOLM-UHFFFAOYSA-N 1 0 299.374 2.041 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C)CC=CC2)cc1 ZINC000911665813 638342920 /nfs/dbraw/zinc/34/29/20/638342920.db2.gz FFUCYYBINUBNED-OAHLLOKOSA-N 1 0 287.407 2.225 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(CCC(N)=O)CC1 ZINC000876758495 650422350 /nfs/dbraw/zinc/42/23/50/650422350.db2.gz GXPBTGSBEVFERH-UHFFFAOYSA-N 1 0 276.380 2.178 20 10 CECDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000876905545 650480660 /nfs/dbraw/zinc/48/06/60/650480660.db2.gz IODFHPFGNXFZBF-UKRRQHHQSA-N 1 0 289.423 2.290 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1O ZINC000163953433 639339962 /nfs/dbraw/zinc/33/99/62/639339962.db2.gz VHLLDWGBZOCDJC-NWDGAFQWSA-N 1 0 265.353 2.318 20 10 CECDRO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000164171536 639353618 /nfs/dbraw/zinc/35/36/18/639353618.db2.gz UKALUZHVVMRIMJ-NEPJUHHUSA-N 1 0 261.365 2.490 20 10 CECDRO Cc1cc(C)c(O)c(C[NH+]2CCN(CC(F)F)CC2)c1 ZINC000164236267 639356259 /nfs/dbraw/zinc/35/62/59/639356259.db2.gz LXUKAHMEEBPHDH-UHFFFAOYSA-N 1 0 284.350 2.392 20 10 CECDRO COC(=O)[C@]1(F)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164440193 639374950 /nfs/dbraw/zinc/37/49/50/639374950.db2.gz VJWBILPMTKJVOG-HNNXBMFYSA-N 1 0 281.327 2.096 20 10 CECDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164440053 639375203 /nfs/dbraw/zinc/37/52/03/639375203.db2.gz VJWBILPMTKJVOG-OAHLLOKOSA-N 1 0 281.327 2.096 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000164476208 639378983 /nfs/dbraw/zinc/37/89/83/639378983.db2.gz OFJCWARNWYXSJK-UHFFFAOYSA-N 1 0 271.316 2.469 20 10 CECDRO COCCOCCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840871215 639568040 /nfs/dbraw/zinc/56/80/40/639568040.db2.gz CRFOSUMGKPNRHD-UHFFFAOYSA-N 1 0 287.787 2.497 20 10 CECDRO Cc1cccc(C[NH2+]Cc2cccc(C(N)=O)c2)c1O ZINC000158091722 639569504 /nfs/dbraw/zinc/56/95/04/639569504.db2.gz HVKUHRUCFRBHGY-UHFFFAOYSA-N 1 0 270.332 2.089 20 10 CECDRO CC[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccccc1O ZINC000840882672 639571457 /nfs/dbraw/zinc/57/14/57/639571457.db2.gz JPOCTGLWGLZKHG-ZDUSSCGKSA-N 1 0 283.393 2.010 20 10 CECDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000840889245 639573487 /nfs/dbraw/zinc/57/34/87/639573487.db2.gz QIOAMDKICPHITK-SNVBAGLBSA-N 1 0 289.372 2.007 20 10 CECDRO Cc1cc(O)c(CNCc2cc[nH]n2)c(Cl)c1 ZINC000840895450 639575736 /nfs/dbraw/zinc/57/57/36/639575736.db2.gz MUCXZQYAWDTOFI-UHFFFAOYSA-N 1 0 251.717 2.367 20 10 CECDRO CCOCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000158277582 639583561 /nfs/dbraw/zinc/58/35/61/639583561.db2.gz GDOYTMWTKFMQPT-UHFFFAOYSA-N 1 0 278.396 2.244 20 10 CECDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840914858 639583730 /nfs/dbraw/zinc/58/37/30/639583730.db2.gz HHLXAPTYHHAURI-OAHLLOKOSA-N 1 0 289.423 2.019 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C[C@H](C)O ZINC000840936507 639591000 /nfs/dbraw/zinc/59/10/00/639591000.db2.gz KKXZDKFMQNWTMY-OLZOCXBDSA-N 1 0 250.386 2.310 20 10 CECDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938396 639592843 /nfs/dbraw/zinc/59/28/43/639592843.db2.gz OLWJNTYEKJLTDT-YVACAVLKSA-N 1 0 262.397 2.478 20 10 CECDRO CC[C@H](CO)[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840950636 639599082 /nfs/dbraw/zinc/59/90/82/639599082.db2.gz MEAZYZOWDYACOY-CQSZACIVSA-N 1 0 250.386 2.264 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCCc3c(cnn3C)C2)c1 ZINC000840954727 639599892 /nfs/dbraw/zinc/59/98/92/639599892.db2.gz MXSFEMPHXHOCSK-UHFFFAOYSA-N 1 0 287.363 2.083 20 10 CECDRO C[N@H+](Cc1cc(F)ccc1O)C(C)(C)CN1CCOCC1 ZINC000840977972 639606846 /nfs/dbraw/zinc/60/68/46/639606846.db2.gz OKBKBOHRLCTFIM-UHFFFAOYSA-N 1 0 296.386 2.074 20 10 CECDRO CCC[NH2+]CCNCc1cc(Cl)cc(C)c1O ZINC000841046384 639630855 /nfs/dbraw/zinc/63/08/55/639630855.db2.gz CRZRPQIICLUXKF-UHFFFAOYSA-N 1 0 256.777 2.443 20 10 CECDRO [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000841055735 639634856 /nfs/dbraw/zinc/63/48/56/639634856.db2.gz VJBOLBNDSODDHK-MNOVXSKESA-N 1 0 299.758 2.313 20 10 CECDRO [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000841084965 639649400 /nfs/dbraw/zinc/64/94/00/639649400.db2.gz RBBSGUJFYFPKSU-KOLCDFICSA-N 1 0 254.761 2.263 20 10 CECDRO [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000841084964 639650164 /nfs/dbraw/zinc/65/01/64/639650164.db2.gz RBBSGUJFYFPKSU-GXSJLCMTSA-N 1 0 254.761 2.263 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](CN)C2CCCC2)c1O ZINC000841087454 639651740 /nfs/dbraw/zinc/65/17/40/639651740.db2.gz NTVUBFZQSVWUJB-CQSZACIVSA-N 1 0 278.396 2.398 20 10 CECDRO CN(C)c1ccc(/C=C\CN[C@H]2CC[NH2+]C2(C)C)cc1 ZINC000841085631 639652138 /nfs/dbraw/zinc/65/21/38/639652138.db2.gz JBLHXURGLYYNJV-KJPDOMRESA-N 1 0 273.424 2.496 20 10 CECDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)C)c1ccccc1O ZINC000228929477 639665264 /nfs/dbraw/zinc/66/52/64/639665264.db2.gz RNHQNXFXQZONGU-YPMHNXCESA-N 1 0 264.369 2.346 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCC(=O)Nc1ccccn1 ZINC000876979371 650517148 /nfs/dbraw/zinc/51/71/48/650517148.db2.gz CZYVQZBYYDIZPB-UHFFFAOYSA-N 1 0 285.347 2.214 20 10 CECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(N)cc2)[C@H](C)C1 ZINC000841298925 639732080 /nfs/dbraw/zinc/73/20/80/639732080.db2.gz URZUCUSXAKXWFP-IUODEOHRSA-N 1 0 290.411 2.463 20 10 CECDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000230153952 639743019 /nfs/dbraw/zinc/74/30/19/639743019.db2.gz REGPEJJZMRWTHP-WMLDXEAASA-N 1 0 290.407 2.180 20 10 CECDRO CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000876989060 650521913 /nfs/dbraw/zinc/52/19/13/650521913.db2.gz SVQXXCZQUPNLKU-NSHDSACASA-N 1 0 284.350 2.492 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@]2(C)CCO[C@H]2C)c1 ZINC000230392184 639756512 /nfs/dbraw/zinc/75/65/12/639756512.db2.gz RNMATMBKPUEZEK-IINYFYTJSA-N 1 0 251.326 2.058 20 10 CECDRO COc1cc(C[NH2+]Cc2c(C)cccc2O)ccn1 ZINC000877014796 650531834 /nfs/dbraw/zinc/53/18/34/650531834.db2.gz QWDYWMAWQMSXQG-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO C[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(Cl)cc1O ZINC000841746165 639856988 /nfs/dbraw/zinc/85/69/88/639856988.db2.gz VVEOTQJJGBNYKU-ONGXEEELSA-N 1 0 271.744 2.112 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841762692 639860444 /nfs/dbraw/zinc/86/04/44/639860444.db2.gz JSMFFSQWGMNZGK-NOZJJQNGSA-N 1 0 273.760 2.094 20 10 CECDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000841950653 639910455 /nfs/dbraw/zinc/91/04/55/639910455.db2.gz VEGZINYDABREPN-OCCSQVGLSA-N 1 0 291.395 2.051 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)NCC(C)(C)[NH3+] ZINC000841950251 639910471 /nfs/dbraw/zinc/91/04/71/639910471.db2.gz KURRUAFCLZUFFI-UHFFFAOYSA-N 1 0 293.411 2.441 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c(O)c1 ZINC000877053648 650550903 /nfs/dbraw/zinc/55/09/03/650550903.db2.gz UZQBAOROVOELID-CYBMUJFWSA-N 1 0 257.337 2.071 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CO1 ZINC000842674398 640145815 /nfs/dbraw/zinc/14/58/15/640145815.db2.gz ZYNOVGDNSLDXIS-ZYHUDNBSSA-N 1 0 252.333 2.159 20 10 CECDRO CC(C)(C)N1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1=O ZINC000842882264 640212255 /nfs/dbraw/zinc/21/22/55/640212255.db2.gz PPJFXOYLJKDBQV-QWHCGFSZSA-N 1 0 288.391 2.369 20 10 CECDRO C[C@H]1C[NH2+]CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000843047791 640252320 /nfs/dbraw/zinc/25/23/20/640252320.db2.gz VIHHOHRNXOTLHE-NNTXTVRGSA-N 1 0 259.397 2.060 20 10 CECDRO CN(C)c1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1F ZINC000843055557 640258670 /nfs/dbraw/zinc/25/86/70/640258670.db2.gz LAJFQUYQJCCVLA-CQSZACIVSA-N 1 0 277.387 2.218 20 10 CECDRO C[C@@H]1[NH2+]CCN(Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000843056963 640259986 /nfs/dbraw/zinc/25/99/86/640259986.db2.gz DHSDGMYJKUTSHS-RYUDHWBXSA-N 1 0 265.376 2.074 20 10 CECDRO Oc1c(F)cccc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000843118079 640287113 /nfs/dbraw/zinc/28/71/13/640287113.db2.gz WESCNXOAFJIQFA-OAHLLOKOSA-N 1 0 287.338 2.073 20 10 CECDRO CCN(CC)c1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1F ZINC000843120453 640289181 /nfs/dbraw/zinc/28/91/81/640289181.db2.gz LAVBBSXTXKCARD-IUODEOHRSA-N 1 0 279.403 2.451 20 10 CECDRO Cc1cccc(CN[C@H]2CC[NH2+]C23CCCC3)c1O ZINC000843127192 640293348 /nfs/dbraw/zinc/29/33/48/640293348.db2.gz BKICCSMHWIWXCT-AWEZNQCLSA-N 1 0 260.381 2.465 20 10 CECDRO Cc1nccn1CCCN1CCCc2cc(C[NH3+])ccc21 ZINC000843350001 640399715 /nfs/dbraw/zinc/39/97/15/640399715.db2.gz HSRAHTHUXQNISR-UHFFFAOYSA-N 1 0 284.407 2.493 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1F ZINC000914433419 640404914 /nfs/dbraw/zinc/40/49/14/640404914.db2.gz PANOEUPOHKGSHV-UKRRQHHQSA-N 1 0 278.371 2.406 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000843414909 640420843 /nfs/dbraw/zinc/42/08/43/640420843.db2.gz FNHVVBVPWXDNGO-ZDUSSCGKSA-N 1 0 276.380 2.190 20 10 CECDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000844385460 640703040 /nfs/dbraw/zinc/70/30/40/640703040.db2.gz JVIJRNFJDYWBND-UHFFFAOYSA-N 1 0 276.380 2.246 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CCCF)cc1 ZINC000844402463 640709489 /nfs/dbraw/zinc/70/94/89/640709489.db2.gz YHZOWOKFXIUZGH-UHFFFAOYSA-N 1 0 254.349 2.423 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CCC[C@H](C)O)cc1 ZINC000844402979 640709495 /nfs/dbraw/zinc/70/94/95/640709495.db2.gz YPYKBVSWOSJFMQ-AWEZNQCLSA-N 1 0 280.412 2.224 20 10 CECDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1c(O)cccc1F ZINC000916361573 640760437 /nfs/dbraw/zinc/76/04/37/640760437.db2.gz PNRXWEJOOTZBGN-LLVKDONJSA-N 1 0 297.374 2.061 20 10 CECDRO COCC[NH2+]C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000844901794 640859903 /nfs/dbraw/zinc/85/99/03/640859903.db2.gz YNHRUTWZTYVUNL-UHFFFAOYSA-N 1 0 298.814 2.246 20 10 CECDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000846027537 641156988 /nfs/dbraw/zinc/15/69/88/641156988.db2.gz QSQNSRQFBMHREX-UHFFFAOYSA-N 1 0 276.380 2.246 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1C ZINC000846075211 641174951 /nfs/dbraw/zinc/17/49/51/641174951.db2.gz MIZFZTJRSFEEAX-AWEZNQCLSA-N 1 0 288.391 2.104 20 10 CECDRO CN(CC[NH+]1CCCCC1)Cc1cc(F)ccc1O ZINC000846115246 641189371 /nfs/dbraw/zinc/18/93/71/641189371.db2.gz SSESIVSEWUHKMN-UHFFFAOYSA-N 1 0 266.360 2.449 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)COCC(C)C)c1O ZINC000846142123 641199011 /nfs/dbraw/zinc/19/90/11/641199011.db2.gz CADSAINHINDQOW-CHWSQXEVSA-N 1 0 297.395 2.085 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)c1O ZINC000846141264 641199444 /nfs/dbraw/zinc/19/94/44/641199444.db2.gz HEQXJJMHCBHBDA-GHMZBOCLSA-N 1 0 294.395 2.355 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000846144276 641200856 /nfs/dbraw/zinc/20/08/56/641200856.db2.gz BXJMPEDPLYTPEZ-PWSUYJOCSA-N 1 0 287.363 2.332 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)c1O ZINC000846147425 641201831 /nfs/dbraw/zinc/20/18/31/641201831.db2.gz UXSHRAYCPYYMSD-XHDPSFHLSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCc2cnn(C)c2)c1O ZINC000846145319 641202038 /nfs/dbraw/zinc/20/20/38/641202038.db2.gz PHVDHVLQBKJAMX-NSHDSACASA-N 1 0 275.352 2.028 20 10 CECDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846165840 641209249 /nfs/dbraw/zinc/20/92/49/641209249.db2.gz ZQWJIEMVDVGCEG-GKUNOOHESA-N 1 0 265.353 2.379 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)c1O ZINC000846165576 641209558 /nfs/dbraw/zinc/20/95/58/641209558.db2.gz VVKAFHAGAADCTI-XDTLVQLUSA-N 1 0 265.353 2.211 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)c1O ZINC000846169497 641210493 /nfs/dbraw/zinc/21/04/93/641210493.db2.gz RHDKPDNZMNTEGT-GMXVVIOVSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](OC)C2CC2)c1O ZINC000846171455 641211728 /nfs/dbraw/zinc/21/17/28/641211728.db2.gz SUSNBBBUXMYOIB-IINYFYTJSA-N 1 0 265.353 2.476 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)cc1 ZINC000846194629 641219258 /nfs/dbraw/zinc/21/92/58/641219258.db2.gz OOFIZUDBQCJIFT-WMLDXEAASA-N 1 0 292.423 2.335 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1O ZINC000846205642 641220771 /nfs/dbraw/zinc/22/07/71/641220771.db2.gz IRHPOXZVEQWXBF-WDEREUQCSA-N 1 0 292.354 2.193 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000846205710 641221056 /nfs/dbraw/zinc/22/10/56/641221056.db2.gz KIGFJJXZHXFXGM-CHWSQXEVSA-N 1 0 288.391 2.362 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1O ZINC000877256316 650644387 /nfs/dbraw/zinc/64/43/87/650644387.db2.gz RZRFSGNXWJHJDE-WBMJQRKESA-N 1 0 296.370 2.284 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000846677095 641388120 /nfs/dbraw/zinc/38/81/20/641388120.db2.gz MWOOVNUFDKCFGR-HNNXBMFYSA-N 1 0 289.423 2.101 20 10 CECDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@H]1CCCC[C@@H]1O ZINC000181098952 641509290 /nfs/dbraw/zinc/50/92/90/641509290.db2.gz AWYQHKDAWBDOJP-YPMHNXCESA-N 1 0 293.363 2.104 20 10 CECDRO Cc1cc(C[N@@H+](C[C@H](C)O)C2CC2)ccc1N(C)C ZINC000847103878 641569247 /nfs/dbraw/zinc/56/92/47/641569247.db2.gz GMVZUXPWIYOZPL-ZDUSSCGKSA-N 1 0 262.397 2.406 20 10 CECDRO C[C@@H]([NH2+]CCc1ccnn1C)c1ccc(N(C)C)cc1 ZINC000184018559 641828769 /nfs/dbraw/zinc/82/87/69/641828769.db2.gz YMBIWUVRVSAOCD-CYBMUJFWSA-N 1 0 272.396 2.379 20 10 CECDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000848301803 641957603 /nfs/dbraw/zinc/95/76/03/641957603.db2.gz LGZWEEPYCHOGLN-UHFFFAOYSA-N 1 0 292.379 2.044 20 10 CECDRO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185329531 641964429 /nfs/dbraw/zinc/96/44/29/641964429.db2.gz JXCLECFNURCZFZ-CABCVRRESA-N 1 0 292.423 2.462 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)c(O)c1 ZINC000185777949 642028661 /nfs/dbraw/zinc/02/86/61/642028661.db2.gz VTLQAJOYQAJSDL-CJNGLKHVSA-N 1 0 279.380 2.140 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2cnc(Cl)n2C)cc1 ZINC000848526074 642033333 /nfs/dbraw/zinc/03/33/33/642033333.db2.gz VIMIPUZVELEDCI-UHFFFAOYSA-N 1 0 278.787 2.429 20 10 CECDRO Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c(O)c1 ZINC000877424824 650715697 /nfs/dbraw/zinc/71/56/97/650715697.db2.gz QCYNXICKHGBKIN-LBPRGKRZSA-N 1 0 278.396 2.436 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000848888236 642173341 /nfs/dbraw/zinc/17/33/41/642173341.db2.gz PMBRBWBQUVWEGL-CYBMUJFWSA-N 1 0 289.297 2.454 20 10 CECDRO CCc1cccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000848891223 642174755 /nfs/dbraw/zinc/17/47/55/642174755.db2.gz XMBITURHDSYJQO-HOTGVXAUSA-N 1 0 291.391 2.334 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](CO)Cc2ccco2)c1O ZINC000848898440 642177813 /nfs/dbraw/zinc/17/78/13/642177813.db2.gz CMTCCTPLHGEQHG-CYBMUJFWSA-N 1 0 289.375 2.488 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)c1O ZINC000848905698 642182818 /nfs/dbraw/zinc/18/28/18/642182818.db2.gz LFHNILJNSCQYHG-CWTRNNRKSA-N 1 0 281.421 2.298 20 10 CECDRO CCc1cccc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000848908380 642184038 /nfs/dbraw/zinc/18/40/38/642184038.db2.gz SHBWRCFMGLZWBO-CXAGYDPISA-N 1 0 291.391 2.334 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCn3ccnc32)c1O ZINC000848914808 642188459 /nfs/dbraw/zinc/18/84/59/642188459.db2.gz SWSTUJDWPLUTHL-ZDUSSCGKSA-N 1 0 257.337 2.386 20 10 CECDRO CCc1cccc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1O ZINC000848916961 642190944 /nfs/dbraw/zinc/19/09/44/642190944.db2.gz CCDLWSDTTLGMFU-HNNXBMFYSA-N 1 0 290.407 2.444 20 10 CECDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921527833 642207301 /nfs/dbraw/zinc/20/73/01/642207301.db2.gz OWRPOAOQFASDLS-ZDUSSCGKSA-N 1 0 271.364 2.386 20 10 CECDRO CCCN1CCC[N@H+](Cc2ccc(C)cc2O)CC1=O ZINC000877470484 650735778 /nfs/dbraw/zinc/73/57/78/650735778.db2.gz DNIJKJHAFBJZIB-UHFFFAOYSA-N 1 0 276.380 2.145 20 10 CECDRO CCn1cccc(C[NH2+]Cc2ccc(C)cc2O)c1=O ZINC000877484792 650744361 /nfs/dbraw/zinc/74/43/61/650744361.db2.gz OACTWMFYLRUVNS-UHFFFAOYSA-N 1 0 272.348 2.172 20 10 CECDRO Cc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC000877492000 650748476 /nfs/dbraw/zinc/74/84/76/650748476.db2.gz DSZUPFDFAZHKHB-XJKSGUPXSA-N 1 0 277.364 2.080 20 10 CECDRO COc1ccc(C[NH2+]Cc2cnc3n2CCOC3)cc1C ZINC000921653934 642403907 /nfs/dbraw/zinc/40/39/07/642403907.db2.gz WCAWEGFLKDVAAZ-UHFFFAOYSA-N 1 0 287.363 2.020 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@H](C)[S@@]1=O ZINC000877519692 650763359 /nfs/dbraw/zinc/76/33/59/650763359.db2.gz ZLLGIPMCTITWMW-QUJCMNEKSA-N 1 0 281.421 2.432 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccnn2CC2CC2)c1 ZINC000850137343 642591207 /nfs/dbraw/zinc/59/12/07/642591207.db2.gz NFSIDFSYUFKZJX-UHFFFAOYSA-N 1 0 287.363 2.297 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000850342026 642673069 /nfs/dbraw/zinc/67/30/69/642673069.db2.gz PIZXJDKPHMMZTC-GFCCVEGCSA-N 1 0 265.353 2.448 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)cc1C ZINC000850344681 642674204 /nfs/dbraw/zinc/67/42/04/642674204.db2.gz SEYYAVMPAHOTPJ-GDBMZVCRSA-N 1 0 279.380 2.145 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc(C)nc3)C2)cc1 ZINC000850346133 642675747 /nfs/dbraw/zinc/67/57/47/642675747.db2.gz QIQXCRCILXQFFS-OAHLLOKOSA-N 1 0 298.390 2.162 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1C ZINC000850368360 642685033 /nfs/dbraw/zinc/68/50/33/642685033.db2.gz LJNDZWHQAGSGJV-TZMCWYRMSA-N 1 0 297.420 2.064 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1C ZINC000850388370 642695520 /nfs/dbraw/zinc/69/55/20/642695520.db2.gz LVIXMJIIORILOE-CABCVRRESA-N 1 0 261.365 2.397 20 10 CECDRO COc1ccc(C[NH2+]CCc2cncc(C)n2)cc1C ZINC000850390752 642697675 /nfs/dbraw/zinc/69/76/75/642697675.db2.gz RBRROIBRHVGMHK-UHFFFAOYSA-N 1 0 271.364 2.434 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000850392647 642698825 /nfs/dbraw/zinc/69/88/25/642698825.db2.gz KWIMHZRGMPMARS-BJWYYQGGSA-N 1 0 272.392 2.411 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1 ZINC000850400440 642700757 /nfs/dbraw/zinc/70/07/57/642700757.db2.gz HZBIFNFJRICKIZ-QGZVFWFLSA-N 1 0 293.407 2.358 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3COC(C)(C)C3)C2)cc1 ZINC000850488465 642730023 /nfs/dbraw/zinc/73/00/23/642730023.db2.gz RXPQWMBENLBWJA-KGLIPLIRSA-N 1 0 290.407 2.431 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]C3CCC(O)CC3)C2)cc1 ZINC000850489989 642730733 /nfs/dbraw/zinc/73/07/33/642730733.db2.gz ZKVVIDFRCRGCNT-BBBYJDLNSA-N 1 0 290.407 2.167 20 10 CECDRO C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccccc1O ZINC000850495680 642731773 /nfs/dbraw/zinc/73/17/73/642731773.db2.gz HFRMVJJJXVXNOC-AYLIAGHASA-N 1 0 295.326 2.354 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)c2ncnn21 ZINC000850499804 642732782 /nfs/dbraw/zinc/73/27/82/642732782.db2.gz XTBXZMPHRVKOBS-JLLWLGSASA-N 1 0 270.336 2.267 20 10 CECDRO OC[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CC1CC1 ZINC000850546423 642748054 /nfs/dbraw/zinc/74/80/54/642748054.db2.gz ZPSCJIIKKAXUTB-TZMCWYRMSA-N 1 0 261.365 2.378 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000850547352 642748148 /nfs/dbraw/zinc/74/81/48/642748148.db2.gz DIVRDNHNIOJJNI-LBPRGKRZSA-N 1 0 280.368 2.358 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCc2cncc(C)n2)c1O ZINC000850549316 642750117 /nfs/dbraw/zinc/75/01/17/642750117.db2.gz FWRJJIZOEXYPQU-GFCCVEGCSA-N 1 0 287.363 2.393 20 10 CECDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)n(C)n1 ZINC000922112448 642884400 /nfs/dbraw/zinc/88/44/00/642884400.db2.gz DITXCWDXTNVGNK-UHFFFAOYSA-N 1 0 271.364 2.343 20 10 CECDRO FC(F)CN1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922191385 642946742 /nfs/dbraw/zinc/94/67/42/642946742.db2.gz FCCJRLWLSVWMID-AWEZNQCLSA-N 1 0 296.361 2.441 20 10 CECDRO Cc1ccc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c(O)c1 ZINC000877591768 650804558 /nfs/dbraw/zinc/80/45/58/650804558.db2.gz IFTUUIFRAYRQII-CQSZACIVSA-N 1 0 276.380 2.190 20 10 CECDRO CO[C@@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000851720756 643126478 /nfs/dbraw/zinc/12/64/78/643126478.db2.gz RYNNLZFTXZXCGT-WBVHZDCISA-N 1 0 292.423 2.236 20 10 CECDRO Cc1cc(CC[NH2+]Cc2c(O)cccc2Cl)nn1C ZINC000922688096 643204511 /nfs/dbraw/zinc/20/45/11/643204511.db2.gz LCGYCQNFGLDYCR-UHFFFAOYSA-N 1 0 279.771 2.420 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](CO)C2)cc1Cl ZINC000877667257 650841299 /nfs/dbraw/zinc/84/12/99/650841299.db2.gz LXILXOFRHGGYFI-JGZJWPJOSA-N 1 0 255.745 2.215 20 10 CECDRO COc1cccc(O)c1C[NH2+]Cc1cc(C2CC2)nn1C ZINC000922947430 643473278 /nfs/dbraw/zinc/47/32/78/643473278.db2.gz JEWGMUYIOWVLKQ-UHFFFAOYSA-N 1 0 287.363 2.302 20 10 CECDRO COC[C@@H](C[NH2+]Cc1cccc(OC)c1O)C(C)C ZINC000922949526 643474254 /nfs/dbraw/zinc/47/42/54/643474254.db2.gz IKPWKURNUUUTRY-CYBMUJFWSA-N 1 0 267.369 2.409 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1O ZINC000852669552 643505934 /nfs/dbraw/zinc/50/59/34/643505934.db2.gz PSIWJKVRBRONGK-YPMHNXCESA-N 1 0 293.338 2.202 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2C[C@H](CO)C2)cc1 ZINC000923004539 643508322 /nfs/dbraw/zinc/50/83/22/643508322.db2.gz GGXYELFMFKVBFB-MGEQYWNPSA-N 1 0 260.381 2.126 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCOCC3)cc1C ZINC000923024817 643518557 /nfs/dbraw/zinc/51/85/57/643518557.db2.gz RDWPOTKRAHBXIM-CVEARBPZSA-N 1 0 291.391 2.023 20 10 CECDRO COc1ccc(N(C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1Cl ZINC000852745885 643531743 /nfs/dbraw/zinc/53/17/43/643531743.db2.gz CPWPGSBBHKQAHE-LBPRGKRZSA-N 1 0 296.798 2.306 20 10 CECDRO C[C@H]1CN(C)c2ccccc2N(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852817659 643563747 /nfs/dbraw/zinc/56/37/47/643563747.db2.gz GTLIAJLZQWMUTN-AWEZNQCLSA-N 1 0 299.418 2.415 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1O ZINC000877683581 650848762 /nfs/dbraw/zinc/84/87/62/650848762.db2.gz YIFCQYXKWUWPRI-GRYWWWGRSA-N 1 0 259.349 2.214 20 10 CECDRO CC1([NH2+]Cc2ccc(Br)cc2O)COC1 ZINC000877690959 650852687 /nfs/dbraw/zinc/85/26/87/650852687.db2.gz HGXOCNIFIDDNJM-UHFFFAOYSA-N 1 0 272.142 2.033 20 10 CECDRO Cc1cccc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000877693803 650854577 /nfs/dbraw/zinc/85/45/77/650854577.db2.gz QYMQSPBZSJYRAO-LDYMZIIASA-N 1 0 263.259 2.102 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@H](O)C(F)(F)F ZINC000877693760 650854734 /nfs/dbraw/zinc/85/47/34/650854734.db2.gz QCMZRABCHJXNDP-MFKMUULPSA-N 1 0 290.329 2.462 20 10 CECDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000877707685 650863735 /nfs/dbraw/zinc/86/37/35/650863735.db2.gz ZAFTZOKIWXBNET-QGZVFWFLSA-N 1 0 289.375 2.443 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCOCCF)c1O ZINC000853236986 643718059 /nfs/dbraw/zinc/71/80/59/643718059.db2.gz MPIINPJLNNSHEX-SNVBAGLBSA-N 1 0 257.305 2.038 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000877703539 650860768 /nfs/dbraw/zinc/86/07/68/650860768.db2.gz NIQYGTNIEXVOPY-NXEZZACHSA-N 1 0 261.243 2.441 20 10 CECDRO C[C@@]12COC[C@H]1C[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000853565628 643814234 /nfs/dbraw/zinc/81/42/34/643814234.db2.gz HXTYWEUBEHUYRZ-NVXWUHKLSA-N 1 0 273.376 2.349 20 10 CECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1c(O)cccc1Cl)C2 ZINC000877723566 650871703 /nfs/dbraw/zinc/87/17/03/650871703.db2.gz FOZFUKDUVLREDS-FTGAXOIBSA-N 1 0 295.766 2.477 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877743380 650889191 /nfs/dbraw/zinc/88/91/91/650889191.db2.gz KFORQDUAFFEYNF-NVXWUHKLSA-N 1 0 273.424 2.279 20 10 CECDRO C[C@@H]1COCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000753988207 644307370 /nfs/dbraw/zinc/30/73/70/644307370.db2.gz VKJJKSCWVOLOIQ-LBPRGKRZSA-N 1 0 261.365 2.349 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CO)CC2CC2)c1O ZINC000754832741 644437224 /nfs/dbraw/zinc/43/72/24/644437224.db2.gz KFELDZAPOOOZQY-CYBMUJFWSA-N 1 0 265.353 2.042 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCC2CC2)c(O)c1C ZINC000756511028 644657206 /nfs/dbraw/zinc/65/72/06/644657206.db2.gz KXBPDMOFEYEBQY-UKRRQHHQSA-N 1 0 293.407 2.447 20 10 CECDRO COC1CCN(CC[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000756643326 644678076 /nfs/dbraw/zinc/67/80/76/644678076.db2.gz UDIITTRCSNSSDV-LBPRGKRZSA-N 1 0 296.386 2.293 20 10 CECDRO CCn1cnnc1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756734598 644687388 /nfs/dbraw/zinc/68/73/88/644687388.db2.gz YGFGZOLHQFMKHY-SNVBAGLBSA-N 1 0 278.331 2.036 20 10 CECDRO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000756768945 644690072 /nfs/dbraw/zinc/69/00/72/644690072.db2.gz BJWXMZDXRWTURX-IUCAKERBSA-N 1 0 291.800 2.129 20 10 CECDRO CCN(CC)c1ccc(CN(C)[C@@H](C)C[NH3+])cc1F ZINC000843052472 644760843 /nfs/dbraw/zinc/76/08/43/644760843.db2.gz UNFPYWXYXXDPED-LBPRGKRZSA-N 1 0 267.392 2.451 20 10 CECDRO CCN(C)c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1 ZINC000839651775 644762665 /nfs/dbraw/zinc/76/26/65/644762665.db2.gz RDNNLYYSBAYTLI-NVXWUHKLSA-N 1 0 292.423 2.020 20 10 CECDRO CON1CCC([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858180400 645081407 /nfs/dbraw/zinc/08/14/07/645081407.db2.gz TZURGLHFFNWKMJ-UHFFFAOYSA-N 1 0 299.365 2.146 20 10 CECDRO CC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000858494147 645180918 /nfs/dbraw/zinc/18/09/18/645180918.db2.gz DNXOKBLKLVXGQE-HLUHBDAQSA-N 1 0 282.771 2.350 20 10 CECDRO CC[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(Cl)ccc1O ZINC000858549653 645198003 /nfs/dbraw/zinc/19/80/03/645198003.db2.gz XZDGYTDVTUEYTG-TZMCWYRMSA-N 1 0 298.814 2.153 20 10 CECDRO CCOc1ccc(C[N@H+](C)CCc2cnccn2)c(O)c1 ZINC000761213036 645257010 /nfs/dbraw/zinc/25/70/10/645257010.db2.gz BLHJPYICVIRYCH-UHFFFAOYSA-N 1 0 287.363 2.255 20 10 CECDRO CCOc1ccc(C[NH2+]C(C)(C)[C@H](C)O)c(O)c1 ZINC000762627887 645431294 /nfs/dbraw/zinc/43/12/94/645431294.db2.gz IVTUFTGHRYQXNF-JTQLQIEISA-N 1 0 253.342 2.040 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCC(C)(C)C)c1 ZINC000859233955 645432108 /nfs/dbraw/zinc/43/21/08/645432108.db2.gz ZSVXSFNAEZKYKQ-LLVKDONJSA-N 1 0 294.395 2.214 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000763617968 645560853 /nfs/dbraw/zinc/56/08/53/645560853.db2.gz YGXSCDJBBBUDAB-ZDUSSCGKSA-N 1 0 278.396 2.317 20 10 CECDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000765794498 645811211 /nfs/dbraw/zinc/81/12/11/645811211.db2.gz CQYHVLIZJBJZRQ-RYUDHWBXSA-N 1 0 282.771 2.050 20 10 CECDRO C[C@H](CO)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000766920973 645937090 /nfs/dbraw/zinc/93/70/90/645937090.db2.gz WUICVIPUOWCRAS-DZGCQCFKSA-N 1 0 279.380 2.002 20 10 CECDRO COc1cccc(O)c1CN1CC[NH+](C2CCCC2)CC1 ZINC000768241523 646100738 /nfs/dbraw/zinc/10/07/38/646100738.db2.gz RGJUXAHMCDVKRX-UHFFFAOYSA-N 1 0 290.407 2.461 20 10 CECDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768449530 646125388 /nfs/dbraw/zinc/12/53/88/646125388.db2.gz ZYNGKLINLGQFKY-ISTVAULSSA-N 1 0 263.337 2.048 20 10 CECDRO C[N@H+](Cc1cnc(N2CCCC2)nc1)Cc1ccccc1O ZINC000768872092 646177531 /nfs/dbraw/zinc/17/75/31/646177531.db2.gz CDKXNCWEWSJYCQ-UHFFFAOYSA-N 1 0 298.390 2.414 20 10 CECDRO CCOc1ccc(C[N@H+](C)C[C@H](C)C(=O)OC)c(O)c1 ZINC000768882772 646178411 /nfs/dbraw/zinc/17/84/11/646178411.db2.gz WPCGZPZGHLGPCP-NSHDSACASA-N 1 0 281.352 2.032 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(OCC)cc1O ZINC000769000519 646191280 /nfs/dbraw/zinc/19/12/80/646191280.db2.gz VHQVTQMPJORYCJ-UHFFFAOYSA-N 1 0 294.395 2.091 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)CC1(O)CCCC1 ZINC000769447646 646266925 /nfs/dbraw/zinc/26/69/25/646266925.db2.gz IHLCMPNKFAONLG-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCCOC[C@H]2C)c1 ZINC000769454949 646269789 /nfs/dbraw/zinc/26/97/89/646269789.db2.gz BLIQLIIPFQZYCE-GFCCVEGCSA-N 1 0 265.353 2.402 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCCC3(CC3)C1)[C@H](O)CO2 ZINC000769798604 646317828 /nfs/dbraw/zinc/31/78/28/646317828.db2.gz NMAYDBIXCAPVHS-CQSZACIVSA-N 1 0 275.348 2.194 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1C ZINC000770751799 646434438 /nfs/dbraw/zinc/43/44/38/646434438.db2.gz DELLRQKNFQWMHY-WBVHZDCISA-N 1 0 291.391 2.431 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnc(C)o3)C2)cc1 ZINC000862407790 646442702 /nfs/dbraw/zinc/44/27/02/646442702.db2.gz NGXASRBAGCQCLF-CYBMUJFWSA-N 1 0 287.363 2.360 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc(C)o3)C2)cc1 ZINC000862407791 646443122 /nfs/dbraw/zinc/44/31/22/646443122.db2.gz NGXASRBAGCQCLF-ZDUSSCGKSA-N 1 0 287.363 2.360 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H](C)CCn2cccn2)c1 ZINC000862475901 646473258 /nfs/dbraw/zinc/47/32/58/646473258.db2.gz BFHQUVWSNICGNA-CYBMUJFWSA-N 1 0 259.353 2.466 20 10 CECDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cc(C)ccc1O ZINC000862757497 646558847 /nfs/dbraw/zinc/55/88/47/646558847.db2.gz WLTYWHODOMAARG-LBPRGKRZSA-N 1 0 278.396 2.484 20 10 CECDRO CCn1cnnc1CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773011388 646695750 /nfs/dbraw/zinc/69/57/50/646695750.db2.gz TXJGKIXLMZFFNG-ZDUSSCGKSA-N 1 0 287.411 2.257 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000773021986 646697295 /nfs/dbraw/zinc/69/72/95/646697295.db2.gz AGWQRLIAAAIVKG-UONOGXRCSA-N 1 0 280.412 2.455 20 10 CECDRO C[N@H+](Cc1c(O)ccc2ccccc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322544 646703913 /nfs/dbraw/zinc/70/39/13/646703913.db2.gz XNULMWDXWLPLAX-BETUJISGSA-N 1 0 284.359 2.241 20 10 CECDRO COc1ccc([C@H](C[NH3+])CN(C)c2ccc(N)cc2)cc1 ZINC000863558784 646756205 /nfs/dbraw/zinc/75/62/05/646756205.db2.gz XLPVPZXKHMZTDT-CQSZACIVSA-N 1 0 285.391 2.456 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1NC/C=C\c1ccc(N(C)C)cc1 ZINC000863647157 646776543 /nfs/dbraw/zinc/77/65/43/646776543.db2.gz XXUMPCHHEOJLBH-JOGGYFKDSA-N 1 0 273.424 2.496 20 10 CECDRO Cc1cc(Br)c(O)c(CN(C)C[C@@H](C)[NH3+])c1 ZINC000863651377 646777104 /nfs/dbraw/zinc/77/71/04/646777104.db2.gz HEGQVKUFLHMJMB-SECBINFHSA-N 1 0 287.201 2.242 20 10 CECDRO COc1c(O)c(C[N@H+]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000775057246 646919911 /nfs/dbraw/zinc/91/99/11/646919911.db2.gz NBMRWCBWJRXKFG-UHFFFAOYSA-N 1 0 264.281 2.071 20 10 CECDRO C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000775411231 646951780 /nfs/dbraw/zinc/95/17/80/646951780.db2.gz PPRLNJGGBUTUMT-CYBMUJFWSA-N 1 0 289.423 2.272 20 10 CECDRO CC[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(Cl)ccc1O ZINC000775522914 646963008 /nfs/dbraw/zinc/96/30/08/646963008.db2.gz BQDGEZGNEGPESF-JSGCOSHPSA-N 1 0 285.771 2.238 20 10 CECDRO CC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Cl)ccc1O ZINC000775555135 646965099 /nfs/dbraw/zinc/96/50/99/646965099.db2.gz JSIPDESVBVVJEE-UKRRQHHQSA-N 1 0 298.814 2.153 20 10 CECDRO CC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Cl)ccc1O ZINC000775555136 646965292 /nfs/dbraw/zinc/96/52/92/646965292.db2.gz JSIPDESVBVVJEE-ZFWWWQNUSA-N 1 0 298.814 2.153 20 10 CECDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCc1ccc2c(c1)CCCN2C ZINC000864457806 647012571 /nfs/dbraw/zinc/01/25/71/647012571.db2.gz UZCSHDRFYJGLAO-BXUZGUMPSA-N 1 0 272.396 2.091 20 10 CECDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776253291 647042769 /nfs/dbraw/zinc/04/27/69/647042769.db2.gz VBOIREYJAUJRPM-QWHCGFSZSA-N 1 0 296.798 2.358 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1O ZINC000776770780 647088763 /nfs/dbraw/zinc/08/87/63/647088763.db2.gz CEAMEOORDNILKS-HNNXBMFYSA-N 1 0 277.364 2.320 20 10 CECDRO CC[C@H]([NH2+]CCCn1cncn1)c1ccc(N(C)C)cc1 ZINC000776975375 647101002 /nfs/dbraw/zinc/10/10/02/647101002.db2.gz PYCUWVCCOPYMKX-INIZCTEOSA-N 1 0 287.411 2.475 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1O ZINC000777725557 647170075 /nfs/dbraw/zinc/17/00/75/647170075.db2.gz URGYJYUCXKWVKR-RWMBFGLXSA-N 1 0 297.420 2.399 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000778995837 647280449 /nfs/dbraw/zinc/28/04/49/647280449.db2.gz KASDYOAUYCZTLE-MRXNPFEDSA-N 1 0 290.407 2.079 20 10 CECDRO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(F)ccc1O ZINC000779067754 647284704 /nfs/dbraw/zinc/28/47/04/647284704.db2.gz ZOEQBHSIFMLRNV-JQWIXIFHSA-N 1 0 275.327 2.393 20 10 CECDRO CCCn1cc(C[NH2+]CCCSc2nccs2)nn1 ZINC000865468351 647308542 /nfs/dbraw/zinc/30/85/42/647308542.db2.gz GRQSSLVDPPJJTE-UHFFFAOYSA-N 1 0 297.453 2.417 20 10 CECDRO CCC[C@H](CCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865662613 647412798 /nfs/dbraw/zinc/41/27/98/647412798.db2.gz BVUMHDPQTMYGBF-MRXNPFEDSA-N 1 0 292.423 2.164 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](CO)C2)c(Cl)c1 ZINC000865663392 647413846 /nfs/dbraw/zinc/41/38/46/647413846.db2.gz QUUVEUHOUPIQEF-AOOOYVTPSA-N 1 0 255.745 2.215 20 10 CECDRO Cn1cc(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)nn1 ZINC000782968746 647666679 /nfs/dbraw/zinc/66/66/79/647666679.db2.gz OBPCXJDQCUOXPJ-UHFFFAOYSA-N 1 0 294.358 2.478 20 10 CECDRO CC[C@@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000783317502 647708128 /nfs/dbraw/zinc/70/81/28/647708128.db2.gz SXLLIYFCAQYRFV-QXEWZRGKSA-N 1 0 253.317 2.440 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c1 ZINC000783737107 647755022 /nfs/dbraw/zinc/75/50/22/647755022.db2.gz JUPHUWUHWNKMRO-SRVKXCTJSA-N 1 0 265.353 2.399 20 10 CECDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccnn1C ZINC000866616151 647843649 /nfs/dbraw/zinc/84/36/49/647843649.db2.gz ZJJNYFVYWWRUFT-JQWIXIFHSA-N 1 0 257.337 2.464 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@H]([NH3+])C[C@@H]2C)c1O ZINC000866684007 647867577 /nfs/dbraw/zinc/86/75/77/647867577.db2.gz UIXCNYRFRFXZPS-QPUJVOFHSA-N 1 0 282.771 2.170 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1 ZINC000784641356 647871622 /nfs/dbraw/zinc/87/16/22/647871622.db2.gz XQAWSJTWWIVMJA-ABAIWWIYSA-N 1 0 265.353 2.448 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)[C@@H]1C ZINC000787246492 648090056 /nfs/dbraw/zinc/09/00/56/648090056.db2.gz QEEMHISXVLZIRA-YPMHNXCESA-N 1 0 293.363 2.093 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCO[C@H]2C)c2c1c(F)ccc2O ZINC000788623264 648208682 /nfs/dbraw/zinc/20/86/82/648208682.db2.gz KNKPCVNYBWEDPA-XPQXIITISA-N 1 0 295.354 2.209 20 10 CECDRO COc1ccc(N2CCC[N@H+](CCC[C@@H](C)O)CC2)cc1 ZINC000789310287 648285855 /nfs/dbraw/zinc/28/58/55/648285855.db2.gz PZOYMKXWRLLWEN-OAHLLOKOSA-N 1 0 292.423 2.368 20 10 CECDRO CCn1cccc(C[NH2+]Cc2cccc(C)c2O)c1=O ZINC000789751407 648337847 /nfs/dbraw/zinc/33/78/47/648337847.db2.gz CYPDXEPSRKCSOH-UHFFFAOYSA-N 1 0 272.348 2.172 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1 ZINC000872111247 649280940 /nfs/dbraw/zinc/28/09/40/649280940.db2.gz BKDUTHDEOWJGKP-VXGBXAGGSA-N 1 0 293.363 2.395 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1 ZINC000872111246 649281134 /nfs/dbraw/zinc/28/11/34/649281134.db2.gz BKDUTHDEOWJGKP-RYUDHWBXSA-N 1 0 293.363 2.395 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)c2c1c(F)ccc2O ZINC000872127362 649285727 /nfs/dbraw/zinc/28/57/27/649285727.db2.gz VHCGOZYDJTZSCO-DNRKLUKYSA-N 1 0 265.328 2.440 20 10 CECDRO CC1(F)CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000872692014 649457672 /nfs/dbraw/zinc/45/76/72/649457672.db2.gz VAQXYZYQGDINHH-CYBMUJFWSA-N 1 0 281.327 2.142 20 10 CECDRO CCCOc1ccc(C[NH2+]CC(=O)NC2CC2)cc1C ZINC000873010515 649530141 /nfs/dbraw/zinc/53/01/41/649530141.db2.gz ISGWXUOOFPZIKG-UHFFFAOYSA-N 1 0 276.380 2.152 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1C ZINC000873057160 649545841 /nfs/dbraw/zinc/54/58/41/649545841.db2.gz OPGRIOLLDKOWHF-OAHLLOKOSA-N 1 0 290.407 2.494 20 10 CECDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000873162812 649576150 /nfs/dbraw/zinc/57/61/50/649576150.db2.gz OUYIJJHHHYOUHK-ZDUSSCGKSA-N 1 0 275.348 2.054 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1[O-] ZINC000873251488 649609985 /nfs/dbraw/zinc/60/99/85/649609985.db2.gz VZNGENRJGZZHRU-SUZMYJTESA-N 1 0 252.333 2.309 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000124549645 649687675 /nfs/dbraw/zinc/68/76/75/649687675.db2.gz GRBWAUZIMYAYEC-SNVBAGLBSA-N 1 0 277.755 2.416 20 10 CECDRO C[NH2+]C[C@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000128315694 651410022 /nfs/dbraw/zinc/41/00/22/651410022.db2.gz QYTFQCUPJHGXED-LLVKDONJSA-N 1 0 268.788 2.477 20 10 CECDRO CN(C)c1ccc(CN2CC[NH+](CC3CC3)CC2)cc1F ZINC000130653836 652305900 /nfs/dbraw/zinc/30/59/00/652305900.db2.gz VVYBPBXAZAHQPM-UHFFFAOYSA-N 1 0 291.414 2.419 20 10 CECDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000883361274 652443680 /nfs/dbraw/zinc/44/36/80/652443680.db2.gz YMCNLAAXOCJFOU-CYBMUJFWSA-N 1 0 265.376 2.076 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCOC(C)(C)C2)c1O ZINC000132311375 652512416 /nfs/dbraw/zinc/51/24/16/652512416.db2.gz OBYAUGUOKDTVMK-UHFFFAOYSA-N 1 0 265.353 2.402 20 10 CECDRO Cc1cc(Br)cc(C[NH2+]CC[C@@H](C)O)c1O ZINC000133209144 652613541 /nfs/dbraw/zinc/61/35/41/652613541.db2.gz KDIHXDMQXGBCEC-SECBINFHSA-N 1 0 288.185 2.324 20 10 CECDRO CCOc1cccc(C[N@H+](CC)CCOC)c1O ZINC000133270309 652616204 /nfs/dbraw/zinc/61/62/04/652616204.db2.gz GUBPVNWJUZXRAL-UHFFFAOYSA-N 1 0 253.342 2.259 20 10 CECDRO COc1ccc2c(c1)C[C@@H]([NH2+]CCc1ccc(O)c(O)c1)C2 ZINC001168235967 806426568 /nfs/dbraw/zinc/42/65/68/806426568.db2.gz OSNCWUWQRXXKCZ-HNNXBMFYSA-N 1 0 299.370 2.406 20 10 CECDRO C[C@@H]1CN(Cc2cc(F)c(F)cc2O)C[C@H](C)[N@H+]1C ZINC001142524928 806615476 /nfs/dbraw/zinc/61/54/76/806615476.db2.gz PZHCIOXKAKHMEX-AOOOYVTPSA-N 1 0 270.323 2.195 20 10 CECDRO COC[C@H](O)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000300419465 806694549 /nfs/dbraw/zinc/69/45/49/806694549.db2.gz XBRIDKZAXZKGGY-XQQFMLRXSA-N 1 0 279.380 2.236 20 10 CECDRO C[C@@H](CC[NH2+]Cc1cccc(Cl)c1[O-])[NH+](C)C ZINC000697836562 806702617 /nfs/dbraw/zinc/70/26/17/806702617.db2.gz JJWARDFLPGKVHS-JTQLQIEISA-N 1 0 256.777 2.475 20 10 CECDRO CCOc1cccc(C[NH2+]CC2CSC2)c1O ZINC000697971891 806868594 /nfs/dbraw/zinc/86/85/94/806868594.db2.gz CAOQKWVGXUFJAO-UHFFFAOYSA-N 1 0 253.367 2.244 20 10 CECDRO CNC(=O)CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000398351637 802836757 /nfs/dbraw/zinc/83/67/57/802836757.db2.gz JWROKTNPLDPBEZ-NEPJUHHUSA-N 1 0 276.380 2.365 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC[C@@H]1O ZINC001140462896 802936768 /nfs/dbraw/zinc/93/67/68/802936768.db2.gz NPDZMEOTBDZKMQ-CABZTGNLSA-N 1 0 255.745 2.248 20 10 CECDRO CCC(=O)NCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267117593 803140861 /nfs/dbraw/zinc/14/08/61/803140861.db2.gz UMIIKQREOFJPQG-ZDUSSCGKSA-N 1 0 278.396 2.398 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)[C@@H]1CO ZINC001140582630 803177693 /nfs/dbraw/zinc/17/76/93/803177693.db2.gz KYJZTGISGSSQKK-NOZJJQNGSA-N 1 0 271.307 2.263 20 10 CECDRO COC[C@H](CC[NH2+][C@H](C)c1ccccc1O)OC ZINC000694239153 803522182 /nfs/dbraw/zinc/52/21/82/803522182.db2.gz XPANRNQTVGDLIS-NEPJUHHUSA-N 1 0 253.342 2.094 20 10 CECDRO COC[C@H](CC[NH2+][C@H](C)c1ccc(C)cc1O)OC ZINC000694314616 803530784 /nfs/dbraw/zinc/53/07/84/803530784.db2.gz YUGPHVOOLIYGMD-OLZOCXBDSA-N 1 0 267.369 2.403 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1O ZINC000690799650 803616965 /nfs/dbraw/zinc/61/69/65/803616965.db2.gz RNVXJPSXECBTCK-KGLIPLIRSA-N 1 0 277.364 2.259 20 10 CECDRO COc1ccc(C[NH2+]Cc2cccc(F)n2)c(O)c1OC ZINC000893202344 803702567 /nfs/dbraw/zinc/70/25/67/803702567.db2.gz GAPZJSVPPIGEMP-UHFFFAOYSA-N 1 0 292.310 2.233 20 10 CECDRO COc1ccc2c(c1)CCCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000695722523 803755995 /nfs/dbraw/zinc/75/59/95/803755995.db2.gz VHSMCXOKQKOKME-CYBMUJFWSA-N 1 0 272.348 2.022 20 10 CECDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000037126596 815011904 /nfs/dbraw/zinc/01/19/04/815011904.db2.gz FREOPVUQABEYJX-NWDGAFQWSA-N 1 0 294.395 2.308 20 10 CECDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C)cc(C)c2O)C1 ZINC000165082341 807037004 /nfs/dbraw/zinc/03/70/04/807037004.db2.gz VGHBIQIVIBCYDT-OAHLLOKOSA-N 1 0 290.407 2.309 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CCC2(O)CCC2)cc1F ZINC001118859537 815051035 /nfs/dbraw/zinc/05/10/35/815051035.db2.gz JWTIZAUUJPVCTF-UHFFFAOYSA-N 1 0 284.350 2.426 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)CC[NH2+]C(C)C ZINC000169101994 807175511 /nfs/dbraw/zinc/17/55/11/807175511.db2.gz BSVSOJMSSWCUIO-UHFFFAOYSA-N 1 0 277.412 2.065 20 10 CECDRO Nc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC001120371481 807187264 /nfs/dbraw/zinc/18/72/64/807187264.db2.gz YWSOOMQIBTXPPR-ZDUSSCGKSA-N 1 0 256.353 2.372 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)[C@@H](C)C1 ZINC001233013706 807356472 /nfs/dbraw/zinc/35/64/72/807356472.db2.gz SDISOHVHMOBCKH-ZJUUUORDSA-N 1 0 251.326 2.424 20 10 CECDRO COc1cc(Cl)cc(CN2CC([NH+]3CCCC3)C2)c1O ZINC001233289824 807388927 /nfs/dbraw/zinc/38/89/27/807388927.db2.gz QRFDKAKYECYUKI-UHFFFAOYSA-N 1 0 296.798 2.334 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1ccccc1O ZINC000716758435 815145961 /nfs/dbraw/zinc/14/59/61/815145961.db2.gz MJAVYJKQWFODHR-DGCLKSJQSA-N 1 0 274.364 2.054 20 10 CECDRO O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CN1CC1CC1 ZINC000716782782 815146202 /nfs/dbraw/zinc/14/62/02/815146202.db2.gz YWIFCKMGKNTQFC-ZDUSSCGKSA-N 1 0 294.782 2.146 20 10 CECDRO COc1cc(C[N@H+](CCCO)C(C)C)c(O)c(OC)c1 ZINC001237675210 808239153 /nfs/dbraw/zinc/23/91/53/808239153.db2.gz BSHSLRAJQDZTDT-UHFFFAOYSA-N 1 0 283.368 2.002 20 10 CECDRO CC(C)[NH+]1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000131127930 808298080 /nfs/dbraw/zinc/29/80/80/808298080.db2.gz OPHNEMNIUKPTHZ-UHFFFAOYSA-N 1 0 261.413 2.279 20 10 CECDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccc(N)cc2)cc1 ZINC001120269144 815209134 /nfs/dbraw/zinc/20/91/34/815209134.db2.gz NHQWYEKXCGCBOI-QGZVFWFLSA-N 1 0 284.407 2.124 20 10 CECDRO Nc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC001120370946 815217599 /nfs/dbraw/zinc/21/75/99/815217599.db2.gz KMMPKJCGAQKMKG-GOSISDBHSA-N 1 0 293.370 2.365 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)[C@H]1C ZINC001203557094 808701011 /nfs/dbraw/zinc/70/10/11/808701011.db2.gz ZDAVMESMQFLTGP-AAEUAGOBSA-N 1 0 263.337 2.166 20 10 CECDRO CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000700782528 809348923 /nfs/dbraw/zinc/34/89/23/809348923.db2.gz OMDQMQTVRZIUPL-LLVKDONJSA-N 1 0 284.350 2.490 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2CCO[C@H]1CC1(F)F ZINC000700869158 809365247 /nfs/dbraw/zinc/36/52/47/809365247.db2.gz XYQSSNQWRVGLGZ-AWEZNQCLSA-N 1 0 282.334 2.322 20 10 CECDRO COC(=O)CCCCN1CCCc2cc(C[NH3+])ccc21 ZINC000700899877 809370063 /nfs/dbraw/zinc/37/00/63/809370063.db2.gz XEHALKLZNQGQSE-UHFFFAOYSA-N 1 0 276.380 2.241 20 10 CECDRO COc1cccc(C[NH2+]CC(O)(C2CC2)C2CC2)c1O ZINC000701603423 809445902 /nfs/dbraw/zinc/44/59/02/809445902.db2.gz CLAJBSCYDILGEH-UHFFFAOYSA-N 1 0 277.364 2.042 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CC[C@H]1CC1(F)F)OCO2 ZINC000701950899 809478431 /nfs/dbraw/zinc/47/84/31/809478431.db2.gz LHGLLRBHTUFSKR-VIFPVBQESA-N 1 0 271.263 2.256 20 10 CECDRO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccccc2O)CO1 ZINC000703372787 809646395 /nfs/dbraw/zinc/64/63/95/809646395.db2.gz KYGZQVSYEVTOMB-GFCCVEGCSA-N 1 0 294.351 2.033 20 10 CECDRO COC(=O)C1(C)CCC([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001168759513 809727586 /nfs/dbraw/zinc/72/75/86/809727586.db2.gz WCLLBQDUDGIRQA-UHFFFAOYSA-N 1 0 293.363 2.309 20 10 CECDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137837504 809780197 /nfs/dbraw/zinc/78/01/97/809780197.db2.gz JLHHADJTHMXGBT-MNOVXSKESA-N 1 0 281.327 2.305 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOCCF)c1 ZINC000705761633 809789751 /nfs/dbraw/zinc/78/97/51/809789751.db2.gz MBWRQJNCROHNRL-SNVBAGLBSA-N 1 0 257.305 2.038 20 10 CECDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000706533955 809834089 /nfs/dbraw/zinc/83/40/89/809834089.db2.gz WLYOCJYWAMBHLN-XYPYZODXSA-N 1 0 286.169 2.422 20 10 CECDRO CC[C@@H]([NH2+]Cc1c(O)cccc1Br)[C@@H](C)O ZINC000706831401 809856754 /nfs/dbraw/zinc/85/67/54/809856754.db2.gz CKAVPEPDDAPNOQ-LDYMZIIASA-N 1 0 288.185 2.404 20 10 CECDRO CN(C)C1(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706881111 809863696 /nfs/dbraw/zinc/86/36/96/809863696.db2.gz NOCGGHPSTQYYTH-UHFFFAOYSA-N 1 0 299.212 2.339 20 10 CECDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000709607534 809967189 /nfs/dbraw/zinc/96/71/89/809967189.db2.gz QDQRENDFQDWQPE-ZDUSSCGKSA-N 1 0 298.452 2.228 20 10 CECDRO COc1cccc(C[NH2+]CCc2ccns2)c1O ZINC000710010006 809978975 /nfs/dbraw/zinc/97/89/75/809978975.db2.gz NPBFXCVIPSOIBR-UHFFFAOYSA-N 1 0 264.350 2.190 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)[C@H](C)O ZINC001118090653 810040657 /nfs/dbraw/zinc/04/06/57/810040657.db2.gz NHPFTURLSGYTCR-MJBXVCDLSA-N 1 0 264.413 2.351 20 10 CECDRO C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CCC[C@@H]1C[NH3+] ZINC001205995792 811292854 /nfs/dbraw/zinc/29/28/54/811292854.db2.gz QLQJHTKIOMVPAW-NWDGAFQWSA-N 1 0 266.360 2.338 20 10 CECDRO CNc1ccccc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169243940 811458244 /nfs/dbraw/zinc/45/82/44/811458244.db2.gz VMPIQEPXPGFGMV-UHFFFAOYSA-N 1 0 271.368 2.030 20 10 CECDRO Oc1ccc(CNc2[nH+]ccc3c2CCN3)cc1O ZINC001169993759 811864885 /nfs/dbraw/zinc/86/48/85/811864885.db2.gz QXRCCLIBWRGOMC-UHFFFAOYSA-N 1 0 257.293 2.073 20 10 CECDRO CCc1cccc(C[NH2+]CCCn2cccn2)c1O ZINC000691513876 811991135 /nfs/dbraw/zinc/99/11/35/811991135.db2.gz QNUMDKZYJWOFOE-UHFFFAOYSA-N 1 0 259.353 2.331 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCN(C3CC3)C2)c1O ZINC000691528500 812579284 /nfs/dbraw/zinc/57/92/84/812579284.db2.gz YGMPGULOOKENNZ-AWEZNQCLSA-N 1 0 260.381 2.281 20 10 CECDRO CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001054307153 812580511 /nfs/dbraw/zinc/58/05/11/812580511.db2.gz ICUCZZQKQGCKAY-DZGCQCFKSA-N 1 0 290.407 2.350 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC001170524714 812619424 /nfs/dbraw/zinc/61/94/24/812619424.db2.gz NXHKKHHLLZPUSZ-YPMHNXCESA-N 1 0 263.337 2.132 20 10 CECDRO OC[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CCCC1 ZINC000386259053 813162995 /nfs/dbraw/zinc/16/29/95/813162995.db2.gz MHHOOVYGCRBVBK-CYBMUJFWSA-N 1 0 253.317 2.172 20 10 CECDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000397612621 813629488 /nfs/dbraw/zinc/62/94/88/813629488.db2.gz CVYFQOSXTIBIPJ-CYBMUJFWSA-N 1 0 250.386 2.251 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CC2(N(C)C)CC2)c1O ZINC000397797215 813638887 /nfs/dbraw/zinc/63/88/87/813638887.db2.gz GMZSJPAYNAODER-UHFFFAOYSA-N 1 0 284.787 2.238 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CS[C@H](C)C2)c1O ZINC000397976656 813650102 /nfs/dbraw/zinc/65/01/02/813650102.db2.gz PIJHWWZXFHOLGM-KOLCDFICSA-N 1 0 253.367 2.384 20 10 CECDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000398399329 813672519 /nfs/dbraw/zinc/67/25/19/813672519.db2.gz ALEZIBXTNFCETN-HNNXBMFYSA-N 1 0 292.423 2.164 20 10 CECDRO CC[C@H]([NH2+]CCN(C)C(=O)OC)c1ccccc1O ZINC000689585801 813978070 /nfs/dbraw/zinc/97/80/70/813978070.db2.gz RWTPTEBXTHOIMF-LBPRGKRZSA-N 1 0 266.341 2.131 20 10 CECDRO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCC1(F)F ZINC001144500068 814089987 /nfs/dbraw/zinc/08/99/87/814089987.db2.gz ODSYFZZHBZACNB-QMMMGPOBSA-N 1 0 273.279 2.281 20 10 CECDRO C[C@@]1(F)CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]1F ZINC001144504098 814092341 /nfs/dbraw/zinc/09/23/41/814092341.db2.gz LSPFYFGBVALFLJ-CHWSQXEVSA-N 1 0 273.279 2.075 20 10 CECDRO Oc1ccc2c(c1)CC[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144504312 814092859 /nfs/dbraw/zinc/09/28/59/814092859.db2.gz PDTHINFQWOHRBG-UHFFFAOYSA-N 1 0 287.315 2.067 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)c(O)c1 ZINC001144508874 814096799 /nfs/dbraw/zinc/09/67/99/814096799.db2.gz BLWAGCSJPZBJCW-NSHDSACASA-N 1 0 286.331 2.188 20 10 CECDRO C[C@@H](CCNCc1c(O)cccc1Cl)[NH+](C)C ZINC000697838341 814652545 /nfs/dbraw/zinc/65/25/45/814652545.db2.gz PXZVTRBFVOXTSS-JTQLQIEISA-N 1 0 256.777 2.475 20 10 CECDRO Cc1n[nH]c(=O)c(C[NH2+]Cc2c(O)cccc2Cl)c1C ZINC001116055664 814765619 /nfs/dbraw/zinc/76/56/19/814765619.db2.gz RKYAZBXJCWYGFK-UHFFFAOYSA-N 1 0 293.754 2.448 20 10 CECDRO COc1cccc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)c1O ZINC000713480294 814858030 /nfs/dbraw/zinc/85/80/30/814858030.db2.gz FSRPMKAYZFINLI-KBPBESRZSA-N 1 0 277.364 2.448 20 10 CECDRO Cc1c(C(=O)NCc2ccccc2O)ccc2c[nH+]cn21 ZINC001116528369 814860240 /nfs/dbraw/zinc/86/02/40/814860240.db2.gz YURSQCSVZDJKFY-UHFFFAOYSA-N 1 0 281.315 2.278 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)ccc1N(C)C ZINC001139669864 815624207 /nfs/dbraw/zinc/62/42/07/815624207.db2.gz QKUHNORBPGRFQB-HIFRSBDPSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@@](F)(CO)C2)c2ccccc2n1C ZINC001138252790 815754633 /nfs/dbraw/zinc/75/46/33/815754633.db2.gz UYUDDFCCOQUSKA-INIZCTEOSA-N 1 0 276.355 2.393 20 10 CECDRO Cc1c(C[N@@H+](C)CCC(=O)N(C)C)c2ccccc2n1C ZINC001138258121 815756942 /nfs/dbraw/zinc/75/69/42/815756942.db2.gz MEDVWHFFWOCMNL-UHFFFAOYSA-N 1 0 287.407 2.397 20 10 CECDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354514 815773384 /nfs/dbraw/zinc/77/33/84/815773384.db2.gz MDCPJKQOWBDBGM-DOMZBBRYSA-N 1 0 260.381 2.024 20 10 CECDRO CO[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354780 815774305 /nfs/dbraw/zinc/77/43/05/815774305.db2.gz URWQCJCRGWXQAY-HNNXBMFYSA-N 1 0 260.381 2.290 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3C[C@@H]4CCO[C@@H]4C3)ccc21 ZINC001138356316 815775019 /nfs/dbraw/zinc/77/50/19/815775019.db2.gz KPHRALVTLIQIRZ-DOTOQJQBSA-N 1 0 272.392 2.290 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(O)C2)c(OC)c1 ZINC001138386544 815786889 /nfs/dbraw/zinc/78/68/89/815786889.db2.gz QNJBZQUGQDCYIP-KRWDZBQOSA-N 1 0 292.423 2.498 20 10 CECDRO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c(OC)c1 ZINC001138386493 815787017 /nfs/dbraw/zinc/78/70/17/815787017.db2.gz OJEDWTIADDMMFY-BBRMVZONSA-N 1 0 292.423 2.354 20 10 CECDRO CCC[NH+]1C[C@@H]2CN(Cc3cc(F)ccc3O)C[C@H]2C1 ZINC001140060083 816180466 /nfs/dbraw/zinc/18/04/66/816180466.db2.gz KCDVARUWCOPKPI-ZIAGYGMSSA-N 1 0 278.371 2.305 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCc3nn(C)cc3C2)c1O ZINC001140182253 816205394 /nfs/dbraw/zinc/20/53/94/816205394.db2.gz MMTSUNJVSUZIRS-UHFFFAOYSA-N 1 0 271.364 2.301 20 10 CECDRO CN1CC2(C1)CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140341687 816237264 /nfs/dbraw/zinc/23/72/64/816237264.db2.gz CEHKAHNSCGKLIG-UHFFFAOYSA-N 1 0 266.772 2.183 20 10 CECDRO Oc1cccc(Cl)c1C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001140338067 816237576 /nfs/dbraw/zinc/23/75/76/816237576.db2.gz TVQIJORBLITGFS-AAEUAGOBSA-N 1 0 273.735 2.340 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC12CC2 ZINC001140342764 816237739 /nfs/dbraw/zinc/23/77/39/816237739.db2.gz XSCDYGYFVVTIGV-LLVKDONJSA-N 1 0 295.766 2.431 20 10 CECDRO COC(=O)N1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC001140338132 816238690 /nfs/dbraw/zinc/23/86/90/816238690.db2.gz WENHMPFJAABLQO-UHFFFAOYSA-N 1 0 298.770 2.320 20 10 CECDRO C[NH+](C)CCNC(=O)c1ccc(Nc2ccc(N)cc2)cc1 ZINC001175810232 816292579 /nfs/dbraw/zinc/29/25/79/816292579.db2.gz RUMRMSIKOTVPEZ-UHFFFAOYSA-N 1 0 298.390 2.304 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c1 ZINC001140624126 816306209 /nfs/dbraw/zinc/30/62/09/816306209.db2.gz HIXPKEXSQMVNMM-ZFWWWQNUSA-N 1 0 288.391 2.143 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)c1 ZINC001140624148 816306426 /nfs/dbraw/zinc/30/64/26/816306426.db2.gz IFXJOBSLLFDVAS-HNNXBMFYSA-N 1 0 299.374 2.452 20 10 CECDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@](C)(O)CC2)c1O ZINC001140742717 816339335 /nfs/dbraw/zinc/33/93/35/816339335.db2.gz WMEIPICHNWLDOT-BDJLRTHQSA-N 1 0 279.380 2.389 20 10 CECDRO Cc1c(O)ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1O ZINC001140744477 816339986 /nfs/dbraw/zinc/33/99/86/816339986.db2.gz YPYNIKFPUXTTBL-JOCQHMNTSA-N 1 0 265.353 2.142 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c1O ZINC001140747645 816341274 /nfs/dbraw/zinc/34/12/74/816341274.db2.gz HMPDWHCGWGYWEX-BXUZGUMPSA-N 1 0 263.337 2.017 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCOC2)c(O)c1 ZINC001140855367 816382410 /nfs/dbraw/zinc/38/24/10/816382410.db2.gz WNLSBURJMPMMHR-HNNXBMFYSA-N 1 0 278.396 2.459 20 10 CECDRO CN(C)c1ccc(C[NH+]2CC(C3COC3)C2)c(Cl)c1 ZINC001140921964 816411110 /nfs/dbraw/zinc/41/11/10/816411110.db2.gz YKLATANTYHNWLU-UHFFFAOYSA-N 1 0 280.799 2.484 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CF)c(OC)c1 ZINC001141032467 816453029 /nfs/dbraw/zinc/45/30/29/816453029.db2.gz DIXMTEFCMHDFEO-SNVBAGLBSA-N 1 0 269.316 2.343 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c(OC)c1 ZINC001141032318 816453105 /nfs/dbraw/zinc/45/31/05/816453105.db2.gz XYSZINKVQTVDMG-RISCZKNCSA-N 1 0 295.379 2.002 20 10 CECDRO O[C@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074701 816469586 /nfs/dbraw/zinc/46/95/86/816469586.db2.gz RMRWQVGMYHTQQU-KRWDZBQOSA-N 1 0 286.419 2.342 20 10 CECDRO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078099 816471325 /nfs/dbraw/zinc/47/13/25/816471325.db2.gz KTDWLCGXYJRVDB-ROUUACIJSA-N 1 0 297.446 2.274 20 10 CECDRO CCOC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141158995 816490821 /nfs/dbraw/zinc/49/08/21/816490821.db2.gz VDDSLHLWPYJQML-UHFFFAOYSA-N 1 0 251.326 2.099 20 10 CECDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141162365 816492273 /nfs/dbraw/zinc/49/22/73/816492273.db2.gz RBHWNSTUDMTNPH-ZDUSSCGKSA-N 1 0 264.369 2.012 20 10 CECDRO CCC[N@H+](Cc1cc(O)ccc1O)C1CCOCC1 ZINC001141162131 816492374 /nfs/dbraw/zinc/49/23/74/816492374.db2.gz LPRWADQLLCZOSY-UHFFFAOYSA-N 1 0 265.353 2.489 20 10 CECDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001142530649 816681028 /nfs/dbraw/zinc/68/10/28/816681028.db2.gz IYKKGBLMWJBRSG-IINYFYTJSA-N 1 0 282.334 2.196 20 10 CECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC001179148768 816838290 /nfs/dbraw/zinc/83/82/90/816838290.db2.gz VMFVRGDXUNQPEY-DLBZAZTESA-N 1 0 288.391 2.116 20 10 CECDRO Cc1cc(F)cc(CN2CCCC[C@@](F)(C[NH3+])C2)c1O ZINC001206371699 816839001 /nfs/dbraw/zinc/83/90/01/816839001.db2.gz UYWLBVNTFAYNKA-OAHLLOKOSA-N 1 0 284.350 2.493 20 10 CECDRO COc1cccc(C[NH2+]C[C@H](OC)C(C)C)c1O ZINC000072924438 343815034 /nfs/dbraw/zinc/81/50/34/343815034.db2.gz CHAWRVVRMLUNQW-ZDUSSCGKSA-N 1 0 253.342 2.161 20 10 CECDRO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c[nH]1 ZINC000086251617 344098467 /nfs/dbraw/zinc/09/84/67/344098467.db2.gz QTRFWBJCVKMFOC-UHFFFAOYSA-N 1 0 271.364 2.141 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCN(c3ncccn3)CC2)c1 ZINC000093056675 344213054 /nfs/dbraw/zinc/21/30/54/344213054.db2.gz UXEPVQNMKJEVQN-UHFFFAOYSA-N 1 0 298.390 2.203 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1O ZINC000093482921 344225258 /nfs/dbraw/zinc/22/52/58/344225258.db2.gz NTZMHZATWDNPCR-AAEUAGOBSA-N 1 0 265.353 2.136 20 10 CECDRO CC(C)[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC000160200272 344457804 /nfs/dbraw/zinc/45/78/04/344457804.db2.gz WQGKODCBNVBETQ-UHFFFAOYSA-N 1 0 252.333 2.057 20 10 CECDRO Oc1ccccc1C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000134116724 366288363 /nfs/dbraw/zinc/28/83/63/366288363.db2.gz XDPDRODSVOIEAB-OAHLLOKOSA-N 1 0 260.381 2.452 20 10 CECDRO COc1cccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1O ZINC000091856406 364073611 /nfs/dbraw/zinc/07/36/11/364073611.db2.gz QCXHNQYGNVSMGD-JSGCOSHPSA-N 1 0 295.404 2.107 20 10 CECDRO CCCCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000111235243 364724643 /nfs/dbraw/zinc/72/46/43/364724643.db2.gz KIHOXFZNLSFSFP-LBPRGKRZSA-N 1 0 264.369 2.129 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245587339 370844463 /nfs/dbraw/zinc/84/44/63/370844463.db2.gz FBLQHAPGKGNXGL-TZMCWYRMSA-N 1 0 265.378 2.099 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN(C)C)c1 ZINC000168599521 367355408 /nfs/dbraw/zinc/35/54/08/367355408.db2.gz NYTHQVRSKGVLDB-WDEREUQCSA-N 1 0 252.358 2.002 20 10 CECDRO COCCOC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180140148 368368154 /nfs/dbraw/zinc/36/81/54/368368154.db2.gz USEWZRLQHOZBIK-UHFFFAOYSA-N 1 0 283.343 2.159 20 10 CECDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180170894 368369250 /nfs/dbraw/zinc/36/92/50/368369250.db2.gz MZHHCRRAQOXSQF-ZWNOBZJWSA-N 1 0 253.317 2.267 20 10 CECDRO CCCNC(=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179907022 368357324 /nfs/dbraw/zinc/35/73/24/368357324.db2.gz DLDNUYFJAZQYTN-UHFFFAOYSA-N 1 0 294.370 2.270 20 10 CECDRO CCCCC[N@H+](CC(N)=O)Cc1cc(F)ccc1O ZINC000180807172 368396829 /nfs/dbraw/zinc/39/68/29/368396829.db2.gz YJDFWXUNEYRLLF-UHFFFAOYSA-N 1 0 268.332 2.009 20 10 CECDRO COc1cc(O)c(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1OC ZINC000180618234 368389692 /nfs/dbraw/zinc/38/96/92/368389692.db2.gz KCAGWZYSMZFMBA-HNNXBMFYSA-N 1 0 297.395 2.248 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1ccccc1O ZINC000183338856 368623299 /nfs/dbraw/zinc/62/32/99/368623299.db2.gz IXMMHCNEGPJQQW-ZIAGYGMSSA-N 1 0 276.380 2.442 20 10 CECDRO C[C@@H]([NH2+]CCSCCCO)c1cc(F)ccc1O ZINC000185379248 368799769 /nfs/dbraw/zinc/79/97/69/368799769.db2.gz ZXDSVTDXSITUIY-SNVBAGLBSA-N 1 0 273.373 2.298 20 10 CECDRO CO[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1C ZINC000188320119 369338400 /nfs/dbraw/zinc/33/84/00/369338400.db2.gz KYODCBWVECGWON-YGRLFVJLSA-N 1 0 253.317 2.388 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@H]3CC[C@@H](C)O3)CC2)cc1 ZINC000188535270 369371168 /nfs/dbraw/zinc/37/11/68/369371168.db2.gz NOIMNTOFLLAMJY-RHSMWYFYSA-N 1 0 290.407 2.385 20 10 CECDRO CC[N@@H+](Cc1cc(C)ccc1O)C[C@@H](O)C(F)(F)F ZINC000189880888 369575293 /nfs/dbraw/zinc/57/52/93/369575293.db2.gz NFBDIZHDAOYGSU-GFCCVEGCSA-N 1 0 277.286 2.446 20 10 CECDRO C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccccc1O ZINC000190668307 369643203 /nfs/dbraw/zinc/64/32/03/369643203.db2.gz DRKWZBAHRUZKIP-LLVKDONJSA-N 1 0 251.326 2.196 20 10 CECDRO CCC(CC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1O ZINC000224831787 370282950 /nfs/dbraw/zinc/28/29/50/370282950.db2.gz HMJHOKVHYWZLEJ-OAHLLOKOSA-N 1 0 267.369 2.288 20 10 CECDRO CCOC(=O)N1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226584041 370347044 /nfs/dbraw/zinc/34/70/44/370347044.db2.gz HWBKQJZUOJQQNR-UHFFFAOYSA-N 1 0 296.342 2.242 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000230659190 370461700 /nfs/dbraw/zinc/46/17/00/370461700.db2.gz QRJSPHPXBIVDQR-GZMMTYOYSA-N 1 0 263.259 2.274 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccccc1O ZINC000359990932 371496694 /nfs/dbraw/zinc/49/66/94/371496694.db2.gz CSRKREDUKSDROC-CZXHOFHRSA-N 1 0 274.364 2.052 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CC2(O)CCCC2)cc1 ZINC000269683518 372532281 /nfs/dbraw/zinc/53/22/81/372532281.db2.gz MMHKXLPFJCHXDZ-UHFFFAOYSA-N 1 0 262.397 2.490 20 10 CECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271193921 373175156 /nfs/dbraw/zinc/17/51/56/373175156.db2.gz RQFGEWKDULQHAG-AWEZNQCLSA-N 1 0 283.755 2.431 20 10 CECDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccccc1O)CC2 ZINC000271461763 373192488 /nfs/dbraw/zinc/19/24/88/373192488.db2.gz XEHLABOXSYVVPS-HZPDHXFCSA-N 1 0 291.391 2.144 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273544110 373761977 /nfs/dbraw/zinc/76/19/77/373761977.db2.gz ZANZIHCMVYALFP-LBPRGKRZSA-N 1 0 278.396 2.432 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273581532 373763887 /nfs/dbraw/zinc/76/38/87/373763887.db2.gz MTLGGLRZRUQPDU-CJNGLKHVSA-N 1 0 281.396 2.447 20 10 CECDRO C[C@H]1OCC[C@]12C[N@H+](Cc1cccc(Cl)c1[O-])CCO2 ZINC000279702511 374958488 /nfs/dbraw/zinc/95/84/88/374958488.db2.gz RITZWNCYFBFARK-ABAIWWIYSA-N 1 0 297.782 2.425 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC000281192408 375362371 /nfs/dbraw/zinc/36/23/71/375362371.db2.gz IMSXFUHVWXIDMW-NSHDSACASA-N 1 0 296.798 2.455 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@]2(CO)CCOc3ccccc32)c1 ZINC000282212435 375430166 /nfs/dbraw/zinc/43/01/66/375430166.db2.gz DKSDBHDODHECIM-SFHVURJKSA-N 1 0 299.370 2.461 20 10 CECDRO OC[C@]1([NH2+]Cc2ccccc2O)CCOc2ccccc21 ZINC000282285868 375448230 /nfs/dbraw/zinc/44/82/30/375448230.db2.gz IOMXYHMPOLNWMK-QGZVFWFLSA-N 1 0 285.343 2.152 20 10 CECDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000284206271 375825747 /nfs/dbraw/zinc/82/57/47/375825747.db2.gz SLLXVSRWVLYHJM-LSDHHAIUSA-N 1 0 292.423 2.380 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c(O)c1 ZINC000285447661 375838579 /nfs/dbraw/zinc/83/85/79/375838579.db2.gz ZHXVNIJRWSBLMV-XEZPLFJOSA-N 1 0 279.380 2.200 20 10 CECDRO COc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000289141837 376389847 /nfs/dbraw/zinc/38/98/47/376389847.db2.gz AITCMVXTHRFBQN-CZUORRHYSA-N 1 0 290.407 2.459 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(OC)C2CC2)c1 ZINC000291033074 377040960 /nfs/dbraw/zinc/04/09/60/377040960.db2.gz JGWAULHMEMOROQ-OAHLLOKOSA-N 1 0 265.353 2.306 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H](C)CCCCO)cc1OC ZINC000294953451 378030873 /nfs/dbraw/zinc/03/08/73/378030873.db2.gz DERIQYMGWFMHOR-NSHDSACASA-N 1 0 283.368 2.050 20 10 CECDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487554679 380086976 /nfs/dbraw/zinc/08/69/76/380086976.db2.gz RULYFMSEMDHBPI-SWLSCSKDSA-N 1 0 299.418 2.301 20 10 CECDRO Oc1ccc(Cl)cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530178021 380196240 /nfs/dbraw/zinc/19/62/40/380196240.db2.gz NJRGPTGUVYPDRV-CYBMUJFWSA-N 1 0 266.772 2.420 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@H]2C(C)C)c1O ZINC000530229815 380198267 /nfs/dbraw/zinc/19/82/67/380198267.db2.gz MNHMRSBBNFOHGS-HNNXBMFYSA-N 1 0 294.370 2.164 20 10 CECDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185467009 262056092 /nfs/dbraw/zinc/05/60/92/262056092.db2.gz OLPUSRFJLRVBQW-QMTHXVAHSA-N 1 0 287.787 2.484 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCN1CCCCC1)CC2 ZINC000296113956 224618138 /nfs/dbraw/zinc/61/81/38/224618138.db2.gz UZKDFYPBIZBMAP-CQSZACIVSA-N 1 0 260.381 2.455 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1F ZINC000092763696 394662283 /nfs/dbraw/zinc/66/22/83/394662283.db2.gz MBKHIGRXPYCJTA-AWEZNQCLSA-N 1 0 280.387 2.486 20 10 CECDRO COc1cccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1O ZINC000093644616 394668271 /nfs/dbraw/zinc/66/82/71/394668271.db2.gz OMZBXQHDPSCQRE-JSGCOSHPSA-N 1 0 278.396 2.315 20 10 CECDRO C[C@H](C(=O)Nc1nccs1)[N@H+](C)Cc1ccccc1O ZINC000109773130 394734985 /nfs/dbraw/zinc/73/49/85/394734985.db2.gz MZMRHMGUGQNXOZ-SNVBAGLBSA-N 1 0 291.376 2.308 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@](C)(O)CSC)c(O)c1 ZINC000120679671 394781335 /nfs/dbraw/zinc/78/13/35/394781335.db2.gz FZKVCWCISSDJAE-HNNXBMFYSA-N 1 0 299.436 2.385 20 10 CECDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccccc1O)C2 ZINC000360256076 394795151 /nfs/dbraw/zinc/79/51/51/394795151.db2.gz XQFCODLPKNOLLU-CQSZACIVSA-N 1 0 269.348 2.138 20 10 CECDRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(F)ccc1O ZINC000360675827 394805781 /nfs/dbraw/zinc/80/57/81/394805781.db2.gz XZLIZXLUKFBKIS-GDLCADMTSA-N 1 0 292.354 2.150 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)C2)c1O ZINC000122844765 394818277 /nfs/dbraw/zinc/81/82/77/394818277.db2.gz SIWSHKZVAIZWDO-SNVBAGLBSA-N 1 0 283.755 2.062 20 10 CECDRO OCCO[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271171231 394749941 /nfs/dbraw/zinc/74/99/41/394749941.db2.gz IXCGPEPTUKRXMK-LLVKDONJSA-N 1 0 285.771 2.019 20 10 CECDRO C[N@H+](Cc1ccccc1O)C[C@@](C)(O)C(F)(F)F ZINC000281888819 394869297 /nfs/dbraw/zinc/86/92/97/394869297.db2.gz DQZMVSFDZDYUDU-LLVKDONJSA-N 1 0 263.259 2.137 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1O ZINC000364445105 394904157 /nfs/dbraw/zinc/90/41/57/394904157.db2.gz DFVNGGBDUORXOW-LBPRGKRZSA-N 1 0 283.755 2.011 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]23CCOC3)cc1OC ZINC000367047718 394956508 /nfs/dbraw/zinc/95/65/08/394956508.db2.gz LZOALVBLDIWWGJ-INIZCTEOSA-N 1 0 293.363 2.164 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1ccccc1O ZINC000372933077 395050151 /nfs/dbraw/zinc/05/01/51/395050151.db2.gz YILLLNAQPXPUKV-ZNMIVQPWSA-N 1 0 290.407 2.296 20 10 CECDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000373739229 395065423 /nfs/dbraw/zinc/06/54/23/395065423.db2.gz VOHJHMFYEHLAQR-BHYNMZESSA-N 1 0 294.782 2.131 20 10 CECDRO CC(C)(CO)[C@H]([NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000290897607 395118922 /nfs/dbraw/zinc/11/89/22/395118922.db2.gz LVEWKRVUAKQNTA-CQSZACIVSA-N 1 0 267.344 2.418 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000376200508 395112298 /nfs/dbraw/zinc/11/22/98/395112298.db2.gz XFGMDTSOQWXVAO-ZDUSSCGKSA-N 1 0 287.363 2.161 20 10 CECDRO C[N@H+](Cc1ccccc1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000179560784 395195437 /nfs/dbraw/zinc/19/54/37/395195437.db2.gz RRVNNBMKZFSZFA-ZFWWWQNUSA-N 1 0 297.420 2.180 20 10 CECDRO CCCNC(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179573240 395197037 /nfs/dbraw/zinc/19/70/37/395197037.db2.gz MMSYVSNIKQKYJA-UHFFFAOYSA-N 1 0 276.380 2.130 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@]2(O)CCC[C@H]2C)cc1OC ZINC000293828737 395252305 /nfs/dbraw/zinc/25/23/05/395252305.db2.gz AMQGYGXFXQGBIQ-BDJLRTHQSA-N 1 0 295.379 2.050 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000188468455 395316346 /nfs/dbraw/zinc/31/63/46/395316346.db2.gz QZSUNYCROYJZSP-RYUDHWBXSA-N 1 0 264.369 2.218 20 10 CECDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1O ZINC000183549417 395259254 /nfs/dbraw/zinc/25/92/54/395259254.db2.gz BVFLYUICUUKWGM-FRRDWIJNSA-N 1 0 265.353 2.237 20 10 CECDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccccc1O ZINC000183666457 395261086 /nfs/dbraw/zinc/26/10/86/395261086.db2.gz NQAIDTAUVPOKOJ-NSHDSACASA-N 1 0 264.369 2.205 20 10 CECDRO COCC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCOCC1 ZINC000297453367 292248188 /nfs/dbraw/zinc/24/81/88/292248188.db2.gz XGGIRYLYINILBW-CQSZACIVSA-N 1 0 291.391 2.412 20 10 CECDRO CC[C@@H]([NH2+]CCNC(=O)C(C)C)c1ccccc1O ZINC000020125318 171008348 /nfs/dbraw/zinc/00/83/48/171008348.db2.gz SYSHTRFRKCDWCK-CYBMUJFWSA-N 1 0 264.369 2.205 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)C(C)C)c1 ZINC000035628802 172307855 /nfs/dbraw/zinc/30/78/55/172307855.db2.gz SDSCJOSJQOPRQU-LBPRGKRZSA-N 1 0 264.369 2.123 20 10 CECDRO CCN1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362681 173151407 /nfs/dbraw/zinc/15/14/07/173151407.db2.gz QGICMMRQJHPZSM-OAHLLOKOSA-N 1 0 260.381 2.195 20 10 CECDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000037363042 173151858 /nfs/dbraw/zinc/15/18/58/173151858.db2.gz FGVSLTXDUFHIMT-MRXNPFEDSA-N 1 0 269.344 2.445 20 10 CECDRO CCN(Cc1cccc2c1CC[NH2+]C2)c1cnn(C)c1 ZINC000662282487 415749430 /nfs/dbraw/zinc/74/94/30/415749430.db2.gz AGGRXHGWSTYYDB-UHFFFAOYSA-N 1 0 270.380 2.092 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCC(=O)NC2CC2)c1 ZINC000092987191 260272573 /nfs/dbraw/zinc/27/25/73/260272573.db2.gz CHZRGOFQBHMZIV-NSHDSACASA-N 1 0 292.379 2.110 20 10 CECDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000152451216 261064485 /nfs/dbraw/zinc/06/44/85/261064485.db2.gz CIAMCBCNGCWLQU-UFBFGSQYSA-N 1 0 275.801 2.248 20 10 CECDRO COC[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000155407006 261101621 /nfs/dbraw/zinc/10/16/21/261101621.db2.gz XPLLTZUYEQBMEK-HUUCEWRRSA-N 1 0 292.423 2.456 20 10 CECDRO CCOc1cccc(C[N@H+](C)[C@H]2CCOC2)c1O ZINC000156098897 261113959 /nfs/dbraw/zinc/11/39/59/261113959.db2.gz NEKPYIGRTVEYHA-LBPRGKRZSA-N 1 0 251.326 2.012 20 10 CECDRO COC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000159197039 261180707 /nfs/dbraw/zinc/18/07/07/261180707.db2.gz ICPTXDKKRQZORT-UHFFFAOYSA-N 1 0 294.370 2.277 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160925714 261230855 /nfs/dbraw/zinc/23/08/55/261230855.db2.gz VYCFPYCSIHCVQG-CYBMUJFWSA-N 1 0 277.412 2.318 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1O ZINC000184744368 262027755 /nfs/dbraw/zinc/02/77/55/262027755.db2.gz CKMBZUWKEFSKKA-UWVGGRQHSA-N 1 0 285.771 2.257 20 10 CECDRO COCCN1CCC([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185144774 262043978 /nfs/dbraw/zinc/04/39/78/262043978.db2.gz GLXROUHJKQIRHZ-CQSZACIVSA-N 1 0 292.423 2.462 20 10 CECDRO CC(C)[NH+](CCNC(=O)NCc1ccccc1O)C(C)C ZINC000299549505 263246103 /nfs/dbraw/zinc/24/61/03/263246103.db2.gz XCPAJEFAPPZRNE-UHFFFAOYSA-N 1 0 293.411 2.310 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cc(Cl)ccc1O ZINC000294061490 265004850 /nfs/dbraw/zinc/00/48/50/265004850.db2.gz HECYWSHUASRZHS-JLLWLGSASA-N 1 0 285.771 2.236 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+]2CCNC(=O)C[C@@H]2C)c1O ZINC000367667622 267107755 /nfs/dbraw/zinc/10/77/55/267107755.db2.gz CBWUBRJDJFVOPC-JTQLQIEISA-N 1 0 282.771 2.064 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367699285 267111347 /nfs/dbraw/zinc/11/13/47/267111347.db2.gz HMFADFIMMOOZPG-WCQYABFASA-N 1 0 262.353 2.041 20 10 CECDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000368037162 267138907 /nfs/dbraw/zinc/13/89/07/267138907.db2.gz MEAYQNXHPALZMD-ZBEGNZNMSA-N 1 0 277.364 2.309 20 10 CECDRO O=C1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@H](C2CC2)N1 ZINC000370285888 267306900 /nfs/dbraw/zinc/30/69/00/267306900.db2.gz QOAYWTWUAJMRDL-WFASDCNBSA-N 1 0 294.782 2.192 20 10 CECDRO CN(C)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCOCC1 ZINC000297629085 276771642 /nfs/dbraw/zinc/77/16/42/276771642.db2.gz JGVOVKYOLPYOHN-AWEZNQCLSA-N 1 0 290.407 2.080 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000084059536 278280073 /nfs/dbraw/zinc/28/00/73/278280073.db2.gz GGUBACNWANLSQP-JSGCOSHPSA-N 1 0 275.396 2.024 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCOC2)c1 ZINC000236848433 328003258 /nfs/dbraw/zinc/00/32/58/328003258.db2.gz WRWJWBWQPQYPGD-GFCCVEGCSA-N 1 0 251.326 2.060 20 10 CECDRO CC[C@H]([NH2+]CCc1nc(C)n[nH]1)c1ccccc1O ZINC000274764015 328009506 /nfs/dbraw/zinc/00/95/06/328009506.db2.gz KSIRREFDLZFFON-LBPRGKRZSA-N 1 0 260.341 2.102 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1O ZINC000219906394 326839350 /nfs/dbraw/zinc/83/93/50/326839350.db2.gz BZXDEKKCUYKNKM-AAEUAGOBSA-N 1 0 265.353 2.448 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)[nH]1 ZINC000093084255 327104463 /nfs/dbraw/zinc/10/44/63/327104463.db2.gz MREHZQXQPVJTCM-UHFFFAOYSA-N 1 0 287.363 2.157 20 10 CECDRO CCC[C@]1(CO)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000377835233 329031027 /nfs/dbraw/zinc/03/10/27/329031027.db2.gz RYHFYDRRRZUHJP-INIZCTEOSA-N 1 0 293.363 2.105 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2C)cc1 ZINC000377889486 329033621 /nfs/dbraw/zinc/03/36/21/329033621.db2.gz OVKJCSPMJCQQBG-AWEZNQCLSA-N 1 0 289.423 2.243 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H](CO)C2)cc1F ZINC000378344951 329046887 /nfs/dbraw/zinc/04/68/87/329046887.db2.gz FLLOISJAYBJVLW-CQSZACIVSA-N 1 0 280.387 2.486 20 10 CECDRO Cc1cccc(C[NH+]2CCC3(CCOC3=O)CC2)c1O ZINC000378446078 329050632 /nfs/dbraw/zinc/05/06/32/329050632.db2.gz XVUZKYVTWXGYRY-UHFFFAOYSA-N 1 0 275.348 2.230 20 10 CECDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc(F)ccc3O)C[C@@H]21 ZINC000378493531 329052960 /nfs/dbraw/zinc/05/29/60/329052960.db2.gz IKTORLKYUDAGKQ-RISCZKNCSA-N 1 0 264.344 2.057 20 10 CECDRO COc1ccc(O)c(CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000179878321 329213076 /nfs/dbraw/zinc/21/30/76/329213076.db2.gz CZFYYTNLMOZXJM-HNNXBMFYSA-N 1 0 290.407 2.461 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCOCC23CCC3)c1 ZINC000180321139 329219700 /nfs/dbraw/zinc/21/97/00/329219700.db2.gz JULZXMUFDVKDPZ-UHFFFAOYSA-N 1 0 263.337 2.156 20 10 CECDRO COc1ccc(C[NH2+]CCSCCCO)cc1C ZINC000222943143 329232555 /nfs/dbraw/zinc/23/25/55/329232555.db2.gz AAKHWNZMNOCWNP-UHFFFAOYSA-N 1 0 269.410 2.209 20 10 CECDRO C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1O ZINC000183419433 329247636 /nfs/dbraw/zinc/24/76/36/329247636.db2.gz MTRRNFAJRYXCJB-LBPRGKRZSA-N 1 0 295.346 2.219 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1O ZINC000249778801 329910173 /nfs/dbraw/zinc/91/01/73/329910173.db2.gz KXVLDTDJDGXJJF-OUCADQQQSA-N 1 0 263.337 2.058 20 10 CECDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000293165395 330834322 /nfs/dbraw/zinc/83/43/22/330834322.db2.gz VWXRMZPUCKVILD-BBRMVZONSA-N 1 0 262.397 2.393 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](CCO)COC)cc1 ZINC000219132080 333142716 /nfs/dbraw/zinc/14/27/16/333142716.db2.gz KNVPDXBVQAWVBC-OAHLLOKOSA-N 1 0 280.412 2.020 20 10 CECDRO COc1cccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1O ZINC000245947486 334225096 /nfs/dbraw/zinc/22/50/96/334225096.db2.gz RZIUZLYETRHLLE-OCCSQVGLSA-N 1 0 276.380 2.069 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000252806387 334393941 /nfs/dbraw/zinc/39/39/41/334393941.db2.gz HBFOFZVAXVUPNA-WOPDTQHZSA-N 1 0 265.353 2.476 20 10 CECDRO CC[N@H+](CCOC)Cc1cc(F)cc(C(C)=O)c1O ZINC000049013392 521133496 /nfs/dbraw/zinc/13/34/96/521133496.db2.gz IKZAHEFLGDRGRV-UHFFFAOYSA-N 1 0 269.316 2.202 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2CO)c1O ZINC000050152209 518285491 /nfs/dbraw/zinc/28/54/91/518285491.db2.gz JWRQGFYTPPBHKA-CYBMUJFWSA-N 1 0 281.327 2.081 20 10 CECDRO CC(C)(C)OC(=O)C1C[NH+](Cc2ccccc2O)C1 ZINC000297351569 518776995 /nfs/dbraw/zinc/77/69/95/518776995.db2.gz FZSDUAYCMCTTSU-UHFFFAOYSA-N 1 0 263.337 2.166 20 10 CECDRO CC(C)C[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000236709693 519366780 /nfs/dbraw/zinc/36/67/80/519366780.db2.gz LCCYRVREMNZSCY-HNNXBMFYSA-N 1 0 289.423 2.059 20 10 CECDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(C)ccc2O)C1 ZINC000279640615 519553011 /nfs/dbraw/zinc/55/30/11/519553011.db2.gz CWNNZDHJACXLCH-CQSZACIVSA-N 1 0 276.380 2.049 20 10 CECDRO CCCC[NH+]1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000037005013 520569459 /nfs/dbraw/zinc/56/94/59/520569459.db2.gz XPDGWWUODCPUEX-UHFFFAOYSA-N 1 0 289.423 2.192 20 10 CECDRO CCCCOCC[NH2+]Cc1cc(OC)ccc1O ZINC000040506683 520784001 /nfs/dbraw/zinc/78/40/01/520784001.db2.gz NJGZCKBCHZIFAV-UHFFFAOYSA-N 1 0 253.342 2.307 20 10 CECDRO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000128919830 520812926 /nfs/dbraw/zinc/81/29/26/520812926.db2.gz XIEMIUBSZJHDRA-CQSZACIVSA-N 1 0 276.380 2.110 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](COC)[C@H]2CCCO2)c1 ZINC000278778409 521155342 /nfs/dbraw/zinc/15/53/42/521155342.db2.gz YVZORQQMIOGKKA-GOEBONIOSA-N 1 0 295.379 2.075 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](CC)C(C)(C)O)c1O ZINC000293011471 521375606 /nfs/dbraw/zinc/37/56/06/521375606.db2.gz NZOXHMFNZWWOGV-CYBMUJFWSA-N 1 0 267.369 2.430 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](CO)CC2CCC2)c1O ZINC000279661599 521376466 /nfs/dbraw/zinc/37/64/66/521376466.db2.gz GLJMXELWFSXUOU-AWEZNQCLSA-N 1 0 279.380 2.432 20 10 CECDRO CCNC(=O)C1(C[NH2+]Cc2cc(C)ccc2O)CCC1 ZINC000277163694 521733482 /nfs/dbraw/zinc/73/34/82/521733482.db2.gz HACHDGODTMDESR-UHFFFAOYSA-N 1 0 276.380 2.097 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000125489037 521848435 /nfs/dbraw/zinc/84/84/35/521848435.db2.gz FPNCWNYEDWOWPG-AWEZNQCLSA-N 1 0 279.403 2.275 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000280129903 522180515 /nfs/dbraw/zinc/18/05/15/522180515.db2.gz QKOYIIJOPFMQLZ-INIZCTEOSA-N 1 0 262.397 2.490 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000277093232 522184510 /nfs/dbraw/zinc/18/45/10/522184510.db2.gz UNCVECAAHNIOJR-UHFFFAOYSA-N 1 0 283.375 2.412 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000291363669 522184832 /nfs/dbraw/zinc/18/48/32/522184832.db2.gz YQDUNYWWJAPLCT-INIZCTEOSA-N 1 0 270.380 2.396 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCCO)c(C(F)(F)F)c1 ZINC000280063033 522207046 /nfs/dbraw/zinc/20/70/46/522207046.db2.gz XBAALHRHPMPVHS-UHFFFAOYSA-N 1 0 276.302 2.243 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)c2ccco2)cc1 ZINC000266162941 522208189 /nfs/dbraw/zinc/20/81/89/522208189.db2.gz OHGROBSDCFOARB-MRXNPFEDSA-N 1 0 274.364 2.343 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1F ZINC000276660403 522209497 /nfs/dbraw/zinc/20/94/97/522209497.db2.gz JNTNBXWIBXMZGX-WCQYABFASA-N 1 0 266.360 2.142 20 10 CECDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)ccn1 ZINC000071409359 522465340 /nfs/dbraw/zinc/46/53/40/522465340.db2.gz HJTWCHWZNWNYGT-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H](C)CN(C)C(C)C)cc1OC ZINC000291580543 522781637 /nfs/dbraw/zinc/78/16/37/522781637.db2.gz OWIZCBSHQWVWHO-GFCCVEGCSA-N 1 0 296.411 2.228 20 10 CECDRO COC(=O)C1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000289929869 522831089 /nfs/dbraw/zinc/83/10/89/522831089.db2.gz YXTBWFNLVFFURH-JTQLQIEISA-N 1 0 279.336 2.005 20 10 CECDRO C[N@H+](CCN1CCOC(C)(C)C1)Cc1cc(F)ccc1O ZINC000279355696 522834803 /nfs/dbraw/zinc/83/48/03/522834803.db2.gz GPOUYLPSJGBDMH-UHFFFAOYSA-N 1 0 296.386 2.074 20 10 CECDRO CN1CCCc2cc(C[NH2+]Cc3ccc(CO)o3)ccc21 ZINC000266243699 523862777 /nfs/dbraw/zinc/86/27/77/523862777.db2.gz YFJAEQSTLSOFBC-UHFFFAOYSA-N 1 0 286.375 2.444 20 10 CECDRO COCCOCC[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000290241137 524000239 /nfs/dbraw/zinc/00/02/39/524000239.db2.gz URZBPZZJHXHWTO-UHFFFAOYSA-N 1 0 287.787 2.449 20 10 CECDRO CNC(=O)C1C[NH+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000297525871 524052331 /nfs/dbraw/zinc/05/23/31/524052331.db2.gz YQVHEWPBIDQQAU-UHFFFAOYSA-N 1 0 296.370 2.237 20 10 CECDRO Cc1cccc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000280482279 524405737 /nfs/dbraw/zinc/40/57/37/524405737.db2.gz ODGXSGJWSYTYRF-CQSZACIVSA-N 1 0 291.391 2.471 20 10 CECDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cn1ccnc1 ZINC000067500434 524488538 /nfs/dbraw/zinc/48/85/38/524488538.db2.gz NWRUFRYXZCJJFC-CYBMUJFWSA-N 1 0 271.364 2.244 20 10 CECDRO C[C@H]1CN(CCC[NH2+]Cc2cc(F)ccc2O)CCCO1 ZINC000277646514 524592458 /nfs/dbraw/zinc/59/24/58/524592458.db2.gz YUSNJEXUKGOGHP-ZDUSSCGKSA-N 1 0 296.386 2.122 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](CO)c2ccccc2)c1 ZINC000062999661 524753003 /nfs/dbraw/zinc/75/30/03/524753003.db2.gz UNVHTYNLWOTNTQ-HNNXBMFYSA-N 1 0 273.332 2.224 20 10 CECDRO C[C@H]1C[C@@H](C(=O)N(C)Cc2ccccc2O)CC[N@@H+]1C ZINC000279186221 524765935 /nfs/dbraw/zinc/76/59/35/524765935.db2.gz KWKAHELMLUZBPO-STQMWFEESA-N 1 0 276.380 2.081 20 10 CECDRO COc1ncccc1CC[NH2+]Cc1ccccc1O ZINC000289922121 525046286 /nfs/dbraw/zinc/04/62/86/525046286.db2.gz VLYQYLAKFMOIDC-UHFFFAOYSA-N 1 0 258.321 2.128 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000037282684 525551460 /nfs/dbraw/zinc/55/14/60/525551460.db2.gz VPZRJARNOYWIMO-SWLSCSKDSA-N 1 0 275.396 2.072 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(N(C)C)cc1 ZINC000037782525 525599629 /nfs/dbraw/zinc/59/96/29/525599629.db2.gz ZMYGQYWRJQJOJR-UONOGXRCSA-N 1 0 289.423 2.414 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncnn2C)c(O)c1 ZINC000276696579 525936653 /nfs/dbraw/zinc/93/66/53/525936653.db2.gz VJSYLONPISXSBX-QWRGUYRKSA-N 1 0 260.341 2.241 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1O ZINC000291202025 525952686 /nfs/dbraw/zinc/95/26/86/525952686.db2.gz HRTDIIVGKRZHRI-CYBMUJFWSA-N 1 0 273.336 2.044 20 10 CECDRO COc1cccc(C[NH2+][C@H](CO)c2ccccc2)c1O ZINC000062999392 526037232 /nfs/dbraw/zinc/03/72/32/526037232.db2.gz GIIUBTLZDKDYHE-CQSZACIVSA-N 1 0 273.332 2.224 20 10 CECDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000237696900 526251374 /nfs/dbraw/zinc/25/13/74/526251374.db2.gz YFRHKANGLRWWKY-AWEZNQCLSA-N 1 0 298.390 2.052 20 10 CECDRO Oc1ccccc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000020146615 526371028 /nfs/dbraw/zinc/37/10/28/526371028.db2.gz CASDELMNIAESFV-CQSZACIVSA-N 1 0 265.353 2.068 20 10 CECDRO O=C(NCC[NH2+]Cc1c(O)cccc1Cl)c1ccco1 ZINC000733322557 574663985 /nfs/dbraw/zinc/66/39/85/574663985.db2.gz MGZSNKPQGAUZIH-UHFFFAOYSA-N 1 0 294.738 2.158 20 10 CECDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C1=CC(=O)CS1 ZINC000733365953 574666402 /nfs/dbraw/zinc/66/64/02/574666402.db2.gz VMTODOOJRYJBHP-NSHDSACASA-N 1 0 282.409 2.448 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1F ZINC000740004442 574938815 /nfs/dbraw/zinc/93/88/15/574938815.db2.gz NDZBNFYQFBLQQF-CQSZACIVSA-N 1 0 279.403 2.466 20 10 CECDRO CCC[N@H+](CC)CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875336413 649900774 /nfs/dbraw/zinc/90/07/74/649900774.db2.gz QZVMRHFVPRKOJK-UHFFFAOYSA-N 1 0 291.395 2.149 20 10 CECDRO CCOc1ccc(C[NH2+]CCOC2CCC2)c(O)c1 ZINC000742387950 575019091 /nfs/dbraw/zinc/01/90/91/575019091.db2.gz YKIVDHAXRGWUJX-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CC[C@H](C)C2)cc1C ZINC000744450604 575121608 /nfs/dbraw/zinc/12/16/08/575121608.db2.gz XMKGWTOXZUWCQU-LBPRGKRZSA-N 1 0 262.397 2.440 20 10 CECDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CC[N@@H+]1C ZINC000745855147 575144884 /nfs/dbraw/zinc/14/48/84/575144884.db2.gz RYUCAHZLEAAWJD-JSGCOSHPSA-N 1 0 291.395 2.016 20 10 CECDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000749544855 575224915 /nfs/dbraw/zinc/22/49/15/575224915.db2.gz QBUGMXGGHXGXOT-ZJUUUORDSA-N 1 0 268.382 2.056 20 10 CECDRO COc1cc(CN2CC[NH+](CC(C)C)CC2)c(O)cc1C ZINC000179433542 625435631 /nfs/dbraw/zinc/43/56/31/625435631.db2.gz UCZAMWJUINGIQX-UHFFFAOYSA-N 1 0 292.423 2.483 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000179435138 625436425 /nfs/dbraw/zinc/43/64/25/625436425.db2.gz BTJURUBQAOWCRA-GFCCVEGCSA-N 1 0 261.365 2.492 20 10 CECDRO COC[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000179444965 625443530 /nfs/dbraw/zinc/44/35/30/625443530.db2.gz HHNLQXXCGOIRFA-INIZCTEOSA-N 1 0 291.391 2.118 20 10 CECDRO CSC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000076768856 623150043 /nfs/dbraw/zinc/15/00/43/623150043.db2.gz VTOUTZXRQKDQRU-CYBMUJFWSA-N 1 0 280.437 2.364 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000234287906 623512989 /nfs/dbraw/zinc/51/29/89/623512989.db2.gz NBSAGKMUPHZXIE-CQSZACIVSA-N 1 0 276.380 2.129 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CCOCC1CCCC1)OCO2 ZINC000313256547 623582300 /nfs/dbraw/zinc/58/23/00/623582300.db2.gz YTKYVQRICPRFFE-UHFFFAOYSA-N 1 0 293.363 2.417 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000077253359 623660376 /nfs/dbraw/zinc/66/03/76/623660376.db2.gz RSCWTSMBVVVJMT-UHFFFAOYSA-N 1 0 276.380 2.092 20 10 CECDRO COc1ccc(C[N@H+](C)CC2CC2)c(O)c1OC ZINC000891736085 623933578 /nfs/dbraw/zinc/93/35/78/623933578.db2.gz FJMKQUVPWFGNBU-UHFFFAOYSA-N 1 0 251.326 2.251 20 10 CECDRO COc1ccc(C[N@H+](C)C[C@H]2CCCCO2)c(O)c1OC ZINC000891787248 623968425 /nfs/dbraw/zinc/96/84/25/623968425.db2.gz SGFYQQZUKZAHCI-CYBMUJFWSA-N 1 0 295.379 2.410 20 10 CECDRO CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)c1ccccc1O ZINC000892039316 624269521 /nfs/dbraw/zinc/26/95/21/624269521.db2.gz AHQWKVICXRSVOT-VXGBXAGGSA-N 1 0 279.384 2.270 20 10 CECDRO COc1ccc(C[NH+]2CCCCC2)c(O)c1OC ZINC000892245514 624450512 /nfs/dbraw/zinc/45/05/12/624450512.db2.gz AVICSFZFGLZPPC-UHFFFAOYSA-N 1 0 251.326 2.395 20 10 CECDRO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000045072329 624484680 /nfs/dbraw/zinc/48/46/80/624484680.db2.gz VNSMIVMQDKBLQZ-LBPRGKRZSA-N 1 0 264.369 2.268 20 10 CECDRO CCN(CC)[C@H](C)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892517371 625876207 /nfs/dbraw/zinc/87/62/07/625876207.db2.gz IIGARZOVTLDCGL-GFCCVEGCSA-N 1 0 296.411 2.229 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCC(=O)N(C)C)c(Cl)c1 ZINC000840886145 627347019 /nfs/dbraw/zinc/34/70/19/627347019.db2.gz POZWKQKVPKRAOL-UHFFFAOYSA-N 1 0 284.787 2.312 20 10 CECDRO COc1ccc(C[NH2+]Cc2oc(C)nc2C)c(O)c1 ZINC000311683657 627690544 /nfs/dbraw/zinc/69/05/44/627690544.db2.gz MSMIFBLETYRVLY-UHFFFAOYSA-N 1 0 262.309 2.295 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)c1 ZINC000311694749 627691457 /nfs/dbraw/zinc/69/14/57/627691457.db2.gz SVOXSPGLBPRYOL-MEBBXXQBSA-N 1 0 265.353 2.212 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NCCC(C)(C)[NH3+] ZINC000892857897 627817133 /nfs/dbraw/zinc/81/71/33/627817133.db2.gz BHZXMVQRBLWRAL-UHFFFAOYSA-N 1 0 293.411 2.441 20 10 CECDRO CCOC(=O)CN(CC)Cc1cc(Cl)ccc1O ZINC000092399540 628282135 /nfs/dbraw/zinc/28/21/35/628282135.db2.gz MASFAZHLLQHYFV-UHFFFAOYSA-N 1 0 271.744 2.431 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000313395051 628594028 /nfs/dbraw/zinc/59/40/28/628594028.db2.gz SOJYKKGPVQKIER-SWLSCSKDSA-N 1 0 272.392 2.453 20 10 CECDRO COc1ccc(C[NH2+]CC[C@@H]2CCCCO2)c(O)c1OC ZINC000893479548 628645666 /nfs/dbraw/zinc/64/56/66/628645666.db2.gz SULMMIWAPVYVFT-ZDUSSCGKSA-N 1 0 295.379 2.458 20 10 CECDRO C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1cc(F)ccc1O ZINC000902449412 634672535 /nfs/dbraw/zinc/67/25/35/634672535.db2.gz OCKSYPBVVWOCHX-RNCFNFMXSA-N 1 0 252.333 2.180 20 10 CECDRO C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccc(F)cc1O ZINC000902450622 634673025 /nfs/dbraw/zinc/67/30/25/634673025.db2.gz UJMNELXZUOHTHY-NOZJJQNGSA-N 1 0 252.333 2.180 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2csc(N)n2)c1 ZINC000902500428 634692072 /nfs/dbraw/zinc/69/20/72/634692072.db2.gz VJEMTXONCFMDMV-QMMMGPOBSA-N 1 0 279.365 2.290 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1O ZINC000894089336 629119385 /nfs/dbraw/zinc/11/93/85/629119385.db2.gz RRHRAZKVPZNUHY-JSGCOSHPSA-N 1 0 279.380 2.302 20 10 CECDRO COCC[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894212137 629230006 /nfs/dbraw/zinc/23/00/06/629230006.db2.gz YSPDVHFQWDLJQY-NSHDSACASA-N 1 0 253.342 2.224 20 10 CECDRO Cc1cc(C(=O)NCC2C[NH2+]C2)c(C)n1-c1cccc(C)c1 ZINC000261928881 629337705 /nfs/dbraw/zinc/33/77/05/629337705.db2.gz BYMKMDFCSZONMO-UHFFFAOYSA-N 1 0 297.402 2.352 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c1O ZINC000894344339 629373486 /nfs/dbraw/zinc/37/34/86/629373486.db2.gz QJDGXGFBYXPVBP-IUODEOHRSA-N 1 0 290.407 2.282 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1O ZINC000894359415 629391134 /nfs/dbraw/zinc/39/11/34/629391134.db2.gz ODYRMWLOQDKZJW-AAEUAGOBSA-N 1 0 265.353 2.366 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CSC[C@H]2C)c(O)c1OC ZINC000894411924 629444164 /nfs/dbraw/zinc/44/41/64/629444164.db2.gz BTTSEUYOFIBFJL-MWLCHTKSSA-N 1 0 283.393 2.251 20 10 CECDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C)[S@@]1=O ZINC000792192766 629602335 /nfs/dbraw/zinc/60/23/35/629602335.db2.gz PZVQJSHNUOKZRV-DBWKPXFBSA-N 1 0 280.437 2.094 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c(O)c1OC ZINC000894742654 629619084 /nfs/dbraw/zinc/61/90/84/629619084.db2.gz FMBRDDJYHOVSSO-YPMHNXCESA-N 1 0 295.379 2.050 20 10 CECDRO COCC(C)(C)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894842117 629680038 /nfs/dbraw/zinc/68/00/38/629680038.db2.gz PWMZTRFRELLFEV-UHFFFAOYSA-N 1 0 267.369 2.471 20 10 CECDRO COc1cc(C)cc(C[NH+]2CC3(C2)CCOCC3)c1O ZINC000894977929 629779002 /nfs/dbraw/zinc/77/90/02/629779002.db2.gz ZMJLETUOEUPFEY-UHFFFAOYSA-N 1 0 277.364 2.322 20 10 CECDRO CCn1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)n1 ZINC000894990417 629782929 /nfs/dbraw/zinc/78/29/29/629782929.db2.gz GSALAJCXTOJGFC-UHFFFAOYSA-N 1 0 275.352 2.215 20 10 CECDRO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3C)C2)[nH]1 ZINC000895012959 629795990 /nfs/dbraw/zinc/79/59/90/629795990.db2.gz QEIOIPLNPOHANV-HNNXBMFYSA-N 1 0 299.422 2.477 20 10 CECDRO C[C@H](CCNCc1cc(F)c(N(C)C)cc1F)[NH+](C)C ZINC000895293253 630084477 /nfs/dbraw/zinc/08/44/77/630084477.db2.gz XCOUGXHFTZKPRW-LLVKDONJSA-N 1 0 285.382 2.461 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCNC(=O)CC2(C)C)cc1Cl ZINC000895399348 630167720 /nfs/dbraw/zinc/16/77/20/630167720.db2.gz AUPNZCYCKNDNEE-UHFFFAOYSA-N 1 0 296.798 2.455 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(N(C)C)CC2)cc1 ZINC000841890608 630211885 /nfs/dbraw/zinc/21/18/85/630211885.db2.gz PSIXNZLEHQYNKE-WAYWQWQTSA-N 1 0 273.424 2.450 20 10 CECDRO COc1ccc(C[NH2+]Cc2cc(C)ccc2O)nc1 ZINC000895581688 630264783 /nfs/dbraw/zinc/26/47/83/630264783.db2.gz PZPAEYLCXWOCHU-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c1O ZINC000895716370 630312464 /nfs/dbraw/zinc/31/24/64/630312464.db2.gz GOPVGIJXUCDQPP-OAHLLOKOSA-N 1 0 288.391 2.055 20 10 CECDRO C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cc(F)ccc3O)O2)CO1 ZINC000895820275 630362188 /nfs/dbraw/zinc/36/21/88/630362188.db2.gz NEAQFVLZAMEJAV-DJSGYFEHSA-N 1 0 295.354 2.348 20 10 CECDRO COc1ccc(C[NH2+]C[C@@]2(C)CCCCO2)c(O)c1OC ZINC000896922933 630812299 /nfs/dbraw/zinc/81/22/99/630812299.db2.gz CUJZJRJJSRGTDX-MRXNPFEDSA-N 1 0 295.379 2.458 20 10 CECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000896957900 630843529 /nfs/dbraw/zinc/84/35/29/630843529.db2.gz FONIBSLSPUBEEQ-HNNXBMFYSA-N 1 0 290.407 2.446 20 10 CECDRO Cc1ccc(NCC[NH2+]Cc2cc(F)ccc2O)nc1 ZINC000897182304 630979284 /nfs/dbraw/zinc/97/92/84/630979284.db2.gz ZGOHGBZWMIMZFZ-UHFFFAOYSA-N 1 0 275.327 2.436 20 10 CECDRO CSCCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000799159169 630988114 /nfs/dbraw/zinc/98/81/14/630988114.db2.gz DQPNDBXDJVSIST-ZDUSSCGKSA-N 1 0 283.393 2.003 20 10 CECDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000079498137 631178036 /nfs/dbraw/zinc/17/80/36/631178036.db2.gz QRTNQHQQEIWSTI-ZDUSSCGKSA-N 1 0 281.327 2.345 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)nn1 ZINC000801544754 631286778 /nfs/dbraw/zinc/28/67/78/631286778.db2.gz UGTMVLHDZMRQEF-GFCCVEGCSA-N 1 0 286.379 2.402 20 10 CECDRO C[C@@H]1CC[C@H](NCc2cc(Br)ccc2O)C[NH2+]1 ZINC000863485621 631560867 /nfs/dbraw/zinc/56/08/67/631560867.db2.gz NUGJQGWNDDXUKB-SKDRFNHKSA-N 1 0 299.212 2.385 20 10 CECDRO COC[C@H]1CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000840084579 631809799 /nfs/dbraw/zinc/80/97/99/631809799.db2.gz UNROUXIZXALRLZ-GFCCVEGCSA-N 1 0 258.321 2.161 20 10 CECDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000840091773 631834949 /nfs/dbraw/zinc/83/49/49/631834949.db2.gz OIGRJSATHFIKLV-CQSZACIVSA-N 1 0 285.391 2.466 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@](O)(C(F)F)C1)CCCC2 ZINC000840116836 631872653 /nfs/dbraw/zinc/87/26/53/631872653.db2.gz FEQKIEKSRRTHJY-MRXNPFEDSA-N 1 0 297.345 2.473 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H](CCO)C1CCCC1 ZINC000897885896 631960844 /nfs/dbraw/zinc/96/08/44/631960844.db2.gz RWWXZZLKIXHUPL-CQSZACIVSA-N 1 0 279.380 2.432 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C2CC(CCO)C2)c1O ZINC000898011659 632001043 /nfs/dbraw/zinc/00/10/43/632001043.db2.gz SFVHECCLQIVWFH-UHFFFAOYSA-N 1 0 285.771 2.305 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CC(CCO)C1 ZINC000898010901 632001352 /nfs/dbraw/zinc/00/13/52/632001352.db2.gz PWMZBOXFSLNHBX-UHFFFAOYSA-N 1 0 262.397 2.312 20 10 CECDRO CCOc1ccc(O)c(CN(C)CCC[NH+](C)C)c1 ZINC000809729881 632133754 /nfs/dbraw/zinc/13/37/54/632133754.db2.gz QVNXPLPXFRNBFB-UHFFFAOYSA-N 1 0 266.385 2.174 20 10 CECDRO CN(Cc1cc2c(cc1O)OCO2)CC(C)(C)C[NH+](C)C ZINC000898309864 632167369 /nfs/dbraw/zinc/16/73/69/632167369.db2.gz PIDJUCZQNPLIMC-UHFFFAOYSA-N 1 0 294.395 2.141 20 10 CECDRO C[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000927082777 632450894 /nfs/dbraw/zinc/45/08/94/632450894.db2.gz DFESOSRACABWFM-XJKSGUPXSA-N 1 0 278.396 2.209 20 10 CECDRO C[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449282 632499380 /nfs/dbraw/zinc/49/93/80/632499380.db2.gz AJLIOLUBVPQVER-JQFCIGGWSA-N 1 0 291.439 2.122 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CO1 ZINC000898447924 632503080 /nfs/dbraw/zinc/50/30/80/632503080.db2.gz NFCAIXKGMCTFRW-UKPHBRMFSA-N 1 0 291.439 2.122 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1O ZINC000812296887 632503872 /nfs/dbraw/zinc/50/38/72/632503872.db2.gz RZKNUADJBJRMIF-AWEZNQCLSA-N 1 0 287.363 2.353 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)c(O)c1 ZINC000812779597 632577251 /nfs/dbraw/zinc/57/72/51/632577251.db2.gz SNMREJUJOXTALV-AWEZNQCLSA-N 1 0 265.353 2.136 20 10 CECDRO COC(=O)[C@@H](C[NH2+]Cc1cccc(OC)c1O)CC(C)C ZINC000813331444 632669224 /nfs/dbraw/zinc/66/92/24/632669224.db2.gz JCAJBCNACODVFN-CYBMUJFWSA-N 1 0 295.379 2.326 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@@H](CO)C2)ccc1N(C)C ZINC000815013798 632949853 /nfs/dbraw/zinc/94/98/53/632949853.db2.gz YPGTZISGHBSZAO-OAHLLOKOSA-N 1 0 262.397 2.265 20 10 CECDRO Cc1nccnc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000815153998 632973569 /nfs/dbraw/zinc/97/35/69/632973569.db2.gz IQNDOXOXIIADGA-UHFFFAOYSA-N 1 0 277.755 2.476 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CC)[C@@H](C)CO)cc1 ZINC000815182577 632977538 /nfs/dbraw/zinc/97/75/38/632977538.db2.gz RPDOZHUMBAMMIE-ZDUSSCGKSA-N 1 0 250.386 2.345 20 10 CECDRO Oc1c(C[NH2+]CCCn2ccnn2)ccc2ccccc21 ZINC000816567882 633414502 /nfs/dbraw/zinc/41/45/02/633414502.db2.gz OLTPTEWCVMEFHI-UHFFFAOYSA-N 1 0 282.347 2.317 20 10 CECDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000816660607 633458905 /nfs/dbraw/zinc/45/89/05/633458905.db2.gz JZDYUPXEFFNYJU-CQSZACIVSA-N 1 0 279.403 2.418 20 10 CECDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000816667891 633460657 /nfs/dbraw/zinc/46/06/57/633460657.db2.gz YYDLDQFBEGUTGE-GFCCVEGCSA-N 1 0 255.745 2.392 20 10 CECDRO Cc1cc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc(C)n1 ZINC000817409735 633649883 /nfs/dbraw/zinc/64/98/83/633649883.db2.gz FJESBOQXTNXSKS-UHFFFAOYSA-N 1 0 286.331 2.423 20 10 CECDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000817412783 633652110 /nfs/dbraw/zinc/65/21/10/633652110.db2.gz OVXPWOHEGSPWPM-OCCSQVGLSA-N 1 0 280.387 2.342 20 10 CECDRO OC1(CCC[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000817414859 633652931 /nfs/dbraw/zinc/65/29/31/633652931.db2.gz PKLJKTWGZSCEGQ-UHFFFAOYSA-N 1 0 261.365 2.406 20 10 CECDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2ccccc2O)CC1=O ZINC000817590161 633703433 /nfs/dbraw/zinc/70/34/33/633703433.db2.gz UYYSORBSIZSHAG-STQMWFEESA-N 1 0 276.380 2.301 20 10 CECDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(F)c2[O-])C[C@@H]1C[NH3+] ZINC000817866289 633747545 /nfs/dbraw/zinc/74/75/45/633747545.db2.gz WWHDCIZOHXOKFR-WZRBSPASSA-N 1 0 266.360 2.337 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000817941818 633789607 /nfs/dbraw/zinc/78/96/07/633789607.db2.gz LBBIIRQQCUUQCN-JKSUJKDBSA-N 1 0 299.422 2.143 20 10 CECDRO COCCC[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817943503 633791218 /nfs/dbraw/zinc/79/12/18/633791218.db2.gz URNJIFYSOSYXLT-CZUORRHYSA-N 1 0 279.428 2.157 20 10 CECDRO CC[NH2+]CCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817943153 633791288 /nfs/dbraw/zinc/79/12/88/633791288.db2.gz JMVGCOUUBXKWHZ-SECBINFHSA-N 1 0 258.312 2.321 20 10 CECDRO Cc1nccnc1[C@@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944171 633791312 /nfs/dbraw/zinc/79/13/12/633791312.db2.gz XUUGNMMEBXEZOK-CJNGLKHVSA-N 1 0 299.422 2.202 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817967862 633809518 /nfs/dbraw/zinc/80/95/18/633809518.db2.gz CVWAEUYSXKSFPB-MNOVXSKESA-N 1 0 279.340 2.093 20 10 CECDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CN)c1O ZINC000817966750 633810423 /nfs/dbraw/zinc/81/04/23/633810423.db2.gz VBHDUXMXQCNFIH-RKDXNWHRSA-N 1 0 287.201 2.461 20 10 CECDRO COC[C@@]1(CN[C@@H](C)c2c(C)cc(C)cc2O)CCC[NH2+]1 ZINC000817973684 633816569 /nfs/dbraw/zinc/81/65/69/633816569.db2.gz GIKGBLKNTYJIJU-YOEHRIQHSA-N 1 0 292.423 2.428 20 10 CECDRO COC[C@@]1(CN[C@@H](C)c2cc(C)ccc2O)CCC[NH2+]1 ZINC000817975142 633818827 /nfs/dbraw/zinc/81/88/27/633818827.db2.gz RCBPZOXTQCYMOW-BBRMVZONSA-N 1 0 278.396 2.120 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)cc(F)c1[O-] ZINC000817976581 633820090 /nfs/dbraw/zinc/82/00/90/633820090.db2.gz OGDVTOLMXNWHRQ-RNCFNFMXSA-N 1 0 282.334 2.463 20 10 CECDRO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1O ZINC000817980522 633823146 /nfs/dbraw/zinc/82/31/46/633823146.db2.gz LEQMJHPXDBQFOH-PRHODGIISA-N 1 0 274.286 2.179 20 10 CECDRO C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(F)cc1[O-] ZINC000817984712 633828746 /nfs/dbraw/zinc/82/87/46/633828746.db2.gz XQOWHCZFXPNMJZ-SNVBAGLBSA-N 1 0 252.333 2.324 20 10 CECDRO COc1ccc(N2CC[C@@H](C[NH2+]CC3(O)CCC3)C2)cc1 ZINC000819379009 634162317 /nfs/dbraw/zinc/16/23/17/634162317.db2.gz BVMNTODKZRMXNY-AWEZNQCLSA-N 1 0 290.407 2.026 20 10 CECDRO C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000822081203 634846146 /nfs/dbraw/zinc/84/61/46/634846146.db2.gz CYFGWLNXLQXGMQ-ZIAGYGMSSA-N 1 0 289.423 2.272 20 10 CECDRO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000903217435 635020506 /nfs/dbraw/zinc/02/05/06/635020506.db2.gz ANNZZIKXCCICLM-KBPBESRZSA-N 1 0 289.423 2.272 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CC(CC(N)=O)C2)cc1 ZINC000903259320 635032838 /nfs/dbraw/zinc/03/28/38/635032838.db2.gz DNILZTVVPJWQGO-DNOWBOINSA-N 1 0 289.423 2.447 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(N(C)C)cc1 ZINC000903321429 635054385 /nfs/dbraw/zinc/05/43/85/635054385.db2.gz FCRDFGGLGADUSA-JKSUJKDBSA-N 1 0 261.413 2.497 20 10 CECDRO CCN(CC)c1ccc(CN[C@H](C)[C@@H](C)[NH3+])cc1F ZINC000841077040 635113918 /nfs/dbraw/zinc/11/39/18/635113918.db2.gz XBRVJCXYOSSZTQ-VXGBXAGGSA-N 1 0 267.392 2.497 20 10 CECDRO Cc1cc(Br)cc(CN[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903964830 635398790 /nfs/dbraw/zinc/39/87/90/635398790.db2.gz WRWSBMCBZITCTJ-BXKDBHETSA-N 1 0 299.212 2.161 20 10 CECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)CCO1 ZINC000824383926 635417860 /nfs/dbraw/zinc/41/78/60/635417860.db2.gz WMCRKCJNSVSJNL-QWHCGFSZSA-N 1 0 265.353 2.448 20 10 CECDRO COC[C@@](C)(O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000824559596 635450657 /nfs/dbraw/zinc/45/06/57/635450657.db2.gz WDTPCFQUNDJKJH-KRWDZBQOSA-N 1 0 289.375 2.423 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000824615217 635463911 /nfs/dbraw/zinc/46/39/11/635463911.db2.gz CACDUTZFKCWTKX-CQSZACIVSA-N 1 0 292.379 2.363 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1 ZINC000824615214 635463955 /nfs/dbraw/zinc/46/39/55/635463955.db2.gz CACDUTZFKCWTKX-AWEZNQCLSA-N 1 0 292.379 2.363 20 10 CECDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)c(F)cc3[O-])C[C@@H]21 ZINC000824892905 635519037 /nfs/dbraw/zinc/51/90/37/635519037.db2.gz FCCYFDDLZVZXJH-RNCFNFMXSA-N 1 0 284.762 2.321 20 10 CECDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000824913174 635523740 /nfs/dbraw/zinc/52/37/40/635523740.db2.gz KHHAWZZIJLPPHR-SNVBAGLBSA-N 1 0 284.787 2.168 20 10 CECDRO CCOc1ccc(C[NH2+]CCC2(CO)CC2)c(O)c1 ZINC000825040664 635546034 /nfs/dbraw/zinc/54/60/34/635546034.db2.gz ROSOWMQZJNOECL-UHFFFAOYSA-N 1 0 265.353 2.043 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000825124824 635573497 /nfs/dbraw/zinc/57/34/97/635573497.db2.gz ZCNKOGIDLOYJRL-GWCFXTLKSA-N 1 0 289.297 2.446 20 10 CECDRO CC(C)(C)[C@H](C[NH3+])NCc1ccc2c(c1)CCCO2 ZINC000904358323 635590399 /nfs/dbraw/zinc/59/03/99/635590399.db2.gz LFBSDQOFSGFXSN-HNNXBMFYSA-N 1 0 262.397 2.475 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C)C2)cc1Cl ZINC000825247909 635599349 /nfs/dbraw/zinc/59/93/49/635599349.db2.gz ZNVPHNMOOLPVGT-NSHDSACASA-N 1 0 254.761 2.148 20 10 CECDRO c1cc2c(cc1CN[C@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000904381551 635605694 /nfs/dbraw/zinc/60/56/94/635605694.db2.gz YAPMRWJENMHVLX-INIZCTEOSA-N 1 0 272.392 2.386 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2cnccn2)cc1Cl ZINC000825400459 635631062 /nfs/dbraw/zinc/63/10/62/635631062.db2.gz LJDVAVJOANPBRT-UHFFFAOYSA-N 1 0 277.755 2.476 20 10 CECDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420143 635631456 /nfs/dbraw/zinc/63/14/56/635631456.db2.gz DATHLTYWFVMGKU-GXSJLCMTSA-N 1 0 284.762 2.226 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)c1O ZINC000904461339 635634572 /nfs/dbraw/zinc/63/45/72/635634572.db2.gz HONWEGACKUQYPV-GDBMZVCRSA-N 1 0 284.359 2.115 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccnn2CC2CC2)c(O)c1 ZINC000825753912 635708557 /nfs/dbraw/zinc/70/85/57/635708557.db2.gz WQNIDILURAGLMY-UHFFFAOYSA-N 1 0 287.363 2.297 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000826020704 635747646 /nfs/dbraw/zinc/74/76/46/635747646.db2.gz WYQXXMWUWIGVKB-UONOGXRCSA-N 1 0 291.439 2.475 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)C[NH2+]C)cc1 ZINC000826019448 635747652 /nfs/dbraw/zinc/74/76/52/635747652.db2.gz FPYDJSHGDTXZOA-AWEZNQCLSA-N 1 0 291.439 2.347 20 10 CECDRO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000826995679 636182650 /nfs/dbraw/zinc/18/26/50/636182650.db2.gz ZDVGYYNVRXUWFK-GFCCVEGCSA-N 1 0 296.754 2.072 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2COC3(CCC3)C2)cc1OC ZINC000827132607 636228992 /nfs/dbraw/zinc/22/89/92/636228992.db2.gz MRZUKHHBOFKMRO-LBPRGKRZSA-N 1 0 293.363 2.211 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1 ZINC000827151444 636237431 /nfs/dbraw/zinc/23/74/31/636237431.db2.gz BEHKENYUCFGNEH-VXGBXAGGSA-N 1 0 279.380 2.240 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000827151934 636238054 /nfs/dbraw/zinc/23/80/54/636238054.db2.gz NJOQWTAJGKUOSJ-MRXNPFEDSA-N 1 0 277.364 2.138 20 10 CECDRO C[C@H]1C[NH+](Cc2ccc(N(C)C)c(F)c2)C[C@H](C)C1O ZINC000827152369 636239093 /nfs/dbraw/zinc/23/90/93/636239093.db2.gz SRARPGWYUVENPS-RYUDHWBXSA-N 1 0 280.387 2.340 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[NH2+][C@H]2C)cc1 ZINC000827341000 636299196 /nfs/dbraw/zinc/29/91/96/636299196.db2.gz OXNQCOYIZFFXRP-BBRMVZONSA-N 1 0 289.423 2.147 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000827341045 636299253 /nfs/dbraw/zinc/29/92/53/636299253.db2.gz RJKBHVGGTDHADV-UHFFFAOYSA-N 1 0 277.412 2.134 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506684 636340709 /nfs/dbraw/zinc/34/07/09/636340709.db2.gz KDNAQSVXBNHSJJ-HOTGVXAUSA-N 1 0 272.392 2.365 20 10 CECDRO C[C@@H](O)C1([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000827586596 636360798 /nfs/dbraw/zinc/36/07/98/636360798.db2.gz ZGDIRZKMUUAVIL-DSYXLKISSA-N 1 0 260.381 2.269 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)OC)c1O ZINC000827843927 636440823 /nfs/dbraw/zinc/44/08/23/636440823.db2.gz HJSGTVIDKAWSGY-QWHCGFSZSA-N 1 0 293.363 2.222 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000828013807 636486956 /nfs/dbraw/zinc/48/69/56/636486956.db2.gz LCIPJOVBUVPWQK-UHFFFAOYSA-N 1 0 261.300 2.203 20 10 CECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2=CC(=O)CS2)[C@@H](C)C1 ZINC000828595020 636637170 /nfs/dbraw/zinc/63/71/70/636637170.db2.gz FRGAFUWCNLUVGI-CMPLNLGQSA-N 1 0 282.409 2.256 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000828666499 636651071 /nfs/dbraw/zinc/65/10/71/636651071.db2.gz FERDMEGRDYXAMZ-LLVKDONJSA-N 1 0 292.379 2.097 20 10 CECDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Cc1ccc(N)cc1 ZINC000828949823 636733959 /nfs/dbraw/zinc/73/39/59/636733959.db2.gz PGIUNBNZASISHE-KBPBESRZSA-N 1 0 289.423 2.190 20 10 CECDRO Cc1cc(Br)c([O-])c(C[NH2+][C@H]2C[C@H]([NH3+])C2)c1 ZINC000906517343 636765346 /nfs/dbraw/zinc/76/53/46/636765346.db2.gz NETXQHDZJZFWRY-MGCOHNPYSA-N 1 0 285.185 2.042 20 10 CECDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCSc1nccs1 ZINC000829528618 636874842 /nfs/dbraw/zinc/87/48/42/636874842.db2.gz UFACECIGFJDNMQ-GHMZBOCLSA-N 1 0 299.465 2.130 20 10 CECDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000829528621 636875413 /nfs/dbraw/zinc/87/54/13/636875413.db2.gz UFACECIGFJDNMQ-WDEREUQCSA-N 1 0 299.465 2.130 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000829763990 636924579 /nfs/dbraw/zinc/92/45/79/636924579.db2.gz DYDZGMMAVUANHH-CZUORRHYSA-N 1 0 291.439 2.297 20 10 CECDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(OC)cc1O ZINC000832178833 637512965 /nfs/dbraw/zinc/51/29/65/637512965.db2.gz XRBHBFYCXJATRX-ZDUSSCGKSA-N 1 0 294.395 2.041 20 10 CECDRO CCCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284023 637532840 /nfs/dbraw/zinc/53/28/40/637532840.db2.gz GHWOQQWYFZNFDM-AWEZNQCLSA-N 1 0 263.385 2.059 20 10 CECDRO CCC[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292280 637535560 /nfs/dbraw/zinc/53/55/60/637535560.db2.gz DWYKYKAALPVDGL-IUODEOHRSA-N 1 0 277.412 2.305 20 10 CECDRO CCC[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292281 637535882 /nfs/dbraw/zinc/53/58/82/637535882.db2.gz DWYKYKAALPVDGL-SWLSCSKDSA-N 1 0 277.412 2.305 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841088344 637701956 /nfs/dbraw/zinc/70/19/56/637701956.db2.gz VCEBBHIKFXNPRG-SWLSCSKDSA-N 1 0 278.371 2.495 20 10 CECDRO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1CC1 ZINC000876623122 650364600 /nfs/dbraw/zinc/36/46/00/650364600.db2.gz VKHINFCGGOYVPW-UHFFFAOYSA-N 1 0 274.408 2.490 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876631319 650367374 /nfs/dbraw/zinc/36/73/74/650367374.db2.gz AOXABKBQTKQLMI-SWLSCSKDSA-N 1 0 294.370 2.078 20 10 CECDRO COCCC[N@H+](CCOC)Cc1ccc(C)cc1O ZINC000876627082 650366910 /nfs/dbraw/zinc/36/69/10/650366910.db2.gz NRJPTNMKGPJQAF-UHFFFAOYSA-N 1 0 267.369 2.186 20 10 CECDRO COC1([C@@H](C)[NH2+]Cc2ccccc2O)CCOCC1 ZINC000834555006 637864809 /nfs/dbraw/zinc/86/48/09/637864809.db2.gz JPEAGTYGXRGKFL-GFCCVEGCSA-N 1 0 265.353 2.066 20 10 CECDRO OC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000834803011 637955853 /nfs/dbraw/zinc/95/58/53/637955853.db2.gz IGBHMXAPDDNEBC-CABCVRRESA-N 1 0 284.359 2.140 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCC[S@@](C)=O)cc1 ZINC000835040106 638034027 /nfs/dbraw/zinc/03/40/27/638034027.db2.gz ODBKBXJCQAQPRH-FHHGHWCOSA-N 1 0 280.437 2.124 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCC[S@](C)=O)cc1 ZINC000835040109 638034181 /nfs/dbraw/zinc/03/41/81/638034181.db2.gz ODBKBXJCQAQPRH-UTSMFGRCSA-N 1 0 280.437 2.124 20 10 CECDRO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCOCCO ZINC000835050144 638039817 /nfs/dbraw/zinc/03/98/17/638039817.db2.gz PIKBYSJLWFERSX-AATRIKPKSA-N 1 0 292.423 2.097 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000835057049 638041636 /nfs/dbraw/zinc/04/16/36/638041636.db2.gz XTSHHAKRGKWEFO-HRMTXBTBSA-N 1 0 285.435 2.402 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)cc1C ZINC000835073100 638048712 /nfs/dbraw/zinc/04/87/12/638048712.db2.gz KYJJEDBYRVMRGV-HUUCEWRRSA-N 1 0 288.391 2.252 20 10 CECDRO CC[N@H+](Cc1c(C)cccc1O)[C@H](C)CS(=O)(=O)CC ZINC000876734849 650413854 /nfs/dbraw/zinc/41/38/54/650413854.db2.gz AQADETLJCRJPKM-CYBMUJFWSA-N 1 0 299.436 2.346 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000876762686 650423729 /nfs/dbraw/zinc/42/37/29/650423729.db2.gz JPDGQZFODPKCCK-LBPRGKRZSA-N 1 0 275.270 2.200 20 10 CECDRO COC[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000163752014 639327498 /nfs/dbraw/zinc/32/74/98/639327498.db2.gz OGUXEQNWORITSU-MRVPVSSYSA-N 1 0 274.158 2.279 20 10 CECDRO C[C@H]1OCC[N@H+](Cc2cc3c(cc2O)CCC3)[C@H]1C ZINC000164171765 639354624 /nfs/dbraw/zinc/35/46/24/639354624.db2.gz UKALUZHVVMRIMJ-NWDGAFQWSA-N 1 0 261.365 2.490 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@]2(C)CCCOC2)c1 ZINC000225932088 639516328 /nfs/dbraw/zinc/51/63/28/639516328.db2.gz SPASNORFQYNTPH-CQSZACIVSA-N 1 0 251.326 2.060 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000840827202 639554883 /nfs/dbraw/zinc/55/48/83/639554883.db2.gz GCQBNFCARLXHBL-GDBMZVCRSA-N 1 0 289.423 2.320 20 10 CECDRO CCN(CC)C[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226607196 639556073 /nfs/dbraw/zinc/55/60/73/639556073.db2.gz KFTKWDKXDMIOIZ-LLVKDONJSA-N 1 0 254.349 2.351 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)CN2CCCC2=O)c(Cl)c1 ZINC000840882972 639570958 /nfs/dbraw/zinc/57/09/58/639570958.db2.gz XNZQAKBFRSQUOI-LLVKDONJSA-N 1 0 296.798 2.455 20 10 CECDRO COC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840908295 639581079 /nfs/dbraw/zinc/58/10/79/639581079.db2.gz RNFMXLGQMCIOBD-UHFFFAOYSA-N 1 0 290.407 2.446 20 10 CECDRO Cc1cc(O)c(CN2CCC[N@@H+](C)CC2)c(Cl)c1 ZINC000840908538 639581136 /nfs/dbraw/zinc/58/11/36/639581136.db2.gz SPJAEADXCONGNQ-UHFFFAOYSA-N 1 0 268.788 2.492 20 10 CECDRO CCC[N@H+](CC(=O)NC)Cc1ccc(N(C)C)cc1C ZINC000840911594 639582830 /nfs/dbraw/zinc/58/28/30/639582830.db2.gz JALZMLMKOKQVKA-UHFFFAOYSA-N 1 0 277.412 2.019 20 10 CECDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000168794147 639585023 /nfs/dbraw/zinc/58/50/23/639585023.db2.gz OWHDWTFQVZGVMS-QWRGUYRKSA-N 1 0 253.342 2.212 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)Cn1ccnc1 ZINC000840928769 639589091 /nfs/dbraw/zinc/58/90/91/639589091.db2.gz IYCQGXJNNRZOPH-AWEZNQCLSA-N 1 0 272.396 2.436 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CO[C@@H]1CCOC1 ZINC000840936800 639591338 /nfs/dbraw/zinc/59/13/38/639591338.db2.gz GOZKOPSYGHIFQM-RHSMWYFYSA-N 1 0 292.423 2.345 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000840938994 639592126 /nfs/dbraw/zinc/59/21/26/639592126.db2.gz SNQSQUZCMDWRKP-KRWDZBQOSA-N 1 0 290.407 2.052 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000840938205 639593038 /nfs/dbraw/zinc/59/30/38/639593038.db2.gz LTLUDTHOGDUNBF-CJNGLKHVSA-N 1 0 262.397 2.264 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@H](C)O ZINC000840949676 639597608 /nfs/dbraw/zinc/59/76/08/639597608.db2.gz AMKWPRVMSCXZRS-WFASDCNBSA-N 1 0 250.386 2.310 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCC2(O)CCOCC2)c(Cl)c1 ZINC000840948052 639597838 /nfs/dbraw/zinc/59/78/38/639597838.db2.gz KPFRGKNGFSEKRS-UHFFFAOYSA-N 1 0 299.798 2.375 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1O ZINC000840963885 639602842 /nfs/dbraw/zinc/60/28/42/639602842.db2.gz RIQQJUNWWFLXEN-RISCZKNCSA-N 1 0 299.798 2.231 20 10 CECDRO Cc1cc(Cl)cc(CNC[C@H]2CCC[NH2+]2)c1O ZINC000841036167 639627864 /nfs/dbraw/zinc/62/78/64/639627864.db2.gz PGDXMRSFDHQXKK-GFCCVEGCSA-N 1 0 254.761 2.196 20 10 CECDRO COC(=O)N1CCC([NH2+]Cc2c(C)cccc2O)CC1 ZINC000876972235 650512806 /nfs/dbraw/zinc/51/28/06/650512806.db2.gz XSTQKCYGLCVPHS-UHFFFAOYSA-N 1 0 278.352 2.021 20 10 CECDRO CC(=O)N[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000228356719 639632168 /nfs/dbraw/zinc/63/21/68/639632168.db2.gz QNOVSXVZGFDKBT-CQSZACIVSA-N 1 0 284.359 2.256 20 10 CECDRO CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccccc1O ZINC000228420706 639633823 /nfs/dbraw/zinc/63/38/23/639633823.db2.gz GYXWDEZQGHDSBT-LBPRGKRZSA-N 1 0 264.369 2.020 20 10 CECDRO [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000841058060 639635782 /nfs/dbraw/zinc/63/57/82/639635782.db2.gz OTOMSOCHUOZMON-MNOVXSKESA-N 1 0 254.761 2.405 20 10 CECDRO C[C@@H](CN)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841062730 639638374 /nfs/dbraw/zinc/63/83/74/639638374.db2.gz CAOZAPYLTDMKPP-ZDUSSCGKSA-N 1 0 286.375 2.408 20 10 CECDRO CC1([NH2+]Cc2c([O-])ccc(Cl)c2F)CC[NH2+]CC1 ZINC000841065302 639640840 /nfs/dbraw/zinc/64/08/40/639640840.db2.gz NNHTVTLPWIATQH-UHFFFAOYSA-N 1 0 272.751 2.416 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)C[C@H](C)O)c1O ZINC000228677813 639652743 /nfs/dbraw/zinc/65/27/43/639652743.db2.gz KFOFEGHTMZISMZ-BDAKNGLRSA-N 1 0 273.760 2.303 20 10 CECDRO CN(C)c1ccc(CN[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC000841090880 639653428 /nfs/dbraw/zinc/65/34/28/639653428.db2.gz PHHYGUQYYYWOEE-GFCCVEGCSA-N 1 0 275.318 2.122 20 10 CECDRO CO[C@@H](C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876997429 650524965 /nfs/dbraw/zinc/52/49/65/650524965.db2.gz WXXQELOSQAIBIU-AWEZNQCLSA-N 1 0 292.423 2.162 20 10 CECDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(N)cc2)C1 ZINC000841299748 639731714 /nfs/dbraw/zinc/73/17/14/639731714.db2.gz JLMLYKZHBBTUQL-ZDUSSCGKSA-N 1 0 290.411 2.368 20 10 CECDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(N)cc3)C2)C1 ZINC000841298773 639731964 /nfs/dbraw/zinc/73/19/64/639731964.db2.gz FXYBJZIAYAEUKL-MRXNPFEDSA-N 1 0 288.395 2.218 20 10 CECDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299657 639732069 /nfs/dbraw/zinc/73/20/69/639732069.db2.gz HKYOMQNUDRFSNB-CQSZACIVSA-N 1 0 276.384 2.263 20 10 CECDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(N)cc2)C[C@@H]1C ZINC000841297849 639732327 /nfs/dbraw/zinc/73/23/27/639732327.db2.gz IYEHVIURNQXSRK-RYUDHWBXSA-N 1 0 276.384 2.215 20 10 CECDRO COCCOCCCC[NH2+]Cc1ccc(C)cc1O ZINC000876996813 650524985 /nfs/dbraw/zinc/52/49/85/650524985.db2.gz FBZQNFYMXHGGAW-UHFFFAOYSA-N 1 0 267.369 2.233 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(Cl)cc1O ZINC000841744683 639855888 /nfs/dbraw/zinc/85/58/88/639855888.db2.gz JYIJYAFKKYIYNF-NWDGAFQWSA-N 1 0 298.814 2.417 20 10 CECDRO CCN1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)CC1=O ZINC000841759298 639859576 /nfs/dbraw/zinc/85/95/76/639859576.db2.gz YJLZNTKSSOBCTI-KOLCDFICSA-N 1 0 282.771 2.317 20 10 CECDRO C[C@@H]([NH2+]C1COCCOC1)c1ccc(Cl)cc1O ZINC000841758039 639859985 /nfs/dbraw/zinc/85/99/85/639859985.db2.gz RGUPPYRCBIAMDW-SECBINFHSA-N 1 0 271.744 2.112 20 10 CECDRO CCn1cncc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000841861200 639887781 /nfs/dbraw/zinc/88/77/81/639887781.db2.gz WGVVWUXIEDYEGE-UHFFFAOYSA-N 1 0 257.337 2.128 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@H]1COCc3ccccc31)OCO2 ZINC000841891328 639900453 /nfs/dbraw/zinc/90/04/53/639900453.db2.gz OHIXOCQUYVKNMX-AWEZNQCLSA-N 1 0 299.326 2.482 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)[NH3+] ZINC000841988444 639916616 /nfs/dbraw/zinc/91/66/16/639916616.db2.gz RKQCFIQVLSTTJX-ZDUSSCGKSA-N 1 0 292.427 2.020 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H](C)[NH3+] ZINC000841988442 639916926 /nfs/dbraw/zinc/91/69/26/639916926.db2.gz RKQCFIQVLSTTJX-CYBMUJFWSA-N 1 0 292.427 2.020 20 10 CECDRO CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000842224704 639978418 /nfs/dbraw/zinc/97/84/18/639978418.db2.gz FBXVXNGDBXAWHY-IRXDYDNUSA-N 1 0 294.439 2.144 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CCCN(C=O)CC2)c1O ZINC000827871436 639989576 /nfs/dbraw/zinc/98/95/76/639989576.db2.gz ABHDKXRFYIEXFS-UHFFFAOYSA-N 1 0 282.771 2.018 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2CCO)c1O ZINC000312765360 640141260 /nfs/dbraw/zinc/14/12/60/640141260.db2.gz CWBDCUAZWPINSR-ZDUSSCGKSA-N 1 0 281.327 2.081 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000842912062 640220612 /nfs/dbraw/zinc/22/06/12/640220612.db2.gz PLJPHZIXRMCLBL-RLCGTCKNSA-N 1 0 271.744 2.110 20 10 CECDRO CN(C(=O)Cc1cccc2c1CC[NH2+]C2)c1ccc(N)cc1 ZINC000877075002 650561155 /nfs/dbraw/zinc/56/11/55/650561155.db2.gz XTBFOWHIVHXNIR-UHFFFAOYSA-N 1 0 295.386 2.120 20 10 CECDRO C[NH2+][C@@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000843044427 640249933 /nfs/dbraw/zinc/24/99/33/640249933.db2.gz BWXLUHHQCFEZRE-GFCCVEGCSA-N 1 0 254.761 2.148 20 10 CECDRO C[NH2+][C@@H]1CCCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843048747 640253322 /nfs/dbraw/zinc/25/33/22/640253322.db2.gz VVIDMAYLTDIFQN-DQOPKJQZSA-N 1 0 273.424 2.450 20 10 CECDRO Oc1ccc(Cl)cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843056141 640258685 /nfs/dbraw/zinc/25/86/85/640258685.db2.gz UPEXXMYFZSJZII-CYBMUJFWSA-N 1 0 266.772 2.372 20 10 CECDRO CCOc1ccc(O)c(CN(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000843056332 640258730 /nfs/dbraw/zinc/25/87/30/640258730.db2.gz YHOQCXPVLNFCJD-AWEZNQCLSA-N 1 0 276.380 2.117 20 10 CECDRO C[C@@H]1[C@H](C)[NH2+]CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000843058041 640260237 /nfs/dbraw/zinc/26/02/37/640260237.db2.gz NYSZLJOCRORMNR-ICWYTKJFSA-N 1 0 273.424 2.448 20 10 CECDRO Nc1ncc(CN2CCCc3cc(C[NH3+])ccc32)s1 ZINC000843058642 640261249 /nfs/dbraw/zinc/26/12/49/640261249.db2.gz YNEUCUPKWNEAHS-UHFFFAOYSA-N 1 0 274.393 2.137 20 10 CECDRO Cc1cc(O)c(CN2CC[NH2+]C[C@@](C)(F)C2)cc1C ZINC000843125455 640292483 /nfs/dbraw/zinc/29/24/83/640292483.db2.gz WZCFNYHIVNXTNG-OAHLLOKOSA-N 1 0 266.360 2.142 20 10 CECDRO [O-]c1c(F)cccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843127443 640294798 /nfs/dbraw/zinc/29/47/98/640294798.db2.gz RCWBYOBMVSFLIN-ZDUSSCGKSA-N 1 0 278.371 2.353 20 10 CECDRO CCCOC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350091 640399495 /nfs/dbraw/zinc/39/94/95/640399495.db2.gz IVNFRUVQCVGISM-GFCCVEGCSA-N 1 0 276.380 2.240 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C[NH3+])C[C@H]2C)c1O ZINC000843362453 640404587 /nfs/dbraw/zinc/40/45/87/640404587.db2.gz HJAPJFSFDMGZKO-MWLCHTKSSA-N 1 0 296.798 2.417 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000843417360 640420828 /nfs/dbraw/zinc/42/08/28/640420828.db2.gz CRTGKXCDRWTLPY-HNNXBMFYSA-N 1 0 279.405 2.409 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CCCc2ncn(C)n2)c1O ZINC000843420053 640421835 /nfs/dbraw/zinc/42/18/35/640421835.db2.gz HPRRFLLQWBBTIE-UHFFFAOYSA-N 1 0 294.786 2.205 20 10 CECDRO C[NH2+]CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843484983 640440437 /nfs/dbraw/zinc/44/04/37/640440437.db2.gz GANADUAHPRQTPQ-UHFFFAOYSA-N 1 0 277.412 2.099 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC[NH3+] ZINC000843485753 640440566 /nfs/dbraw/zinc/44/05/66/640440566.db2.gz NGAIVLDRQCHDNN-UHFFFAOYSA-N 1 0 277.412 2.229 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)CCC(C)(C)[NH3+])c1 ZINC000843490063 640442297 /nfs/dbraw/zinc/44/22/97/640442297.db2.gz WZSDIFSPMJJYDI-JTQLQIEISA-N 1 0 280.368 2.096 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000843857408 640544684 /nfs/dbraw/zinc/54/46/84/640544684.db2.gz JLISMSIYKRUUEL-XJKCOSOUSA-N 1 0 289.423 2.270 20 10 CECDRO CS[C@H](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844163325 640621476 /nfs/dbraw/zinc/62/14/76/640621476.db2.gz YZIXQPUVHOVVDC-BXUZGUMPSA-N 1 0 295.452 2.010 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCNC(=O)OC(C)(C)C ZINC000877147220 650594781 /nfs/dbraw/zinc/59/47/81/650594781.db2.gz RLRHDZKZZJLJCH-UHFFFAOYSA-N 1 0 280.368 2.315 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CCOCC2CC2)cc1 ZINC000844400367 640708646 /nfs/dbraw/zinc/70/86/46/640708646.db2.gz AWLMAZTZWXADBW-UHFFFAOYSA-N 1 0 292.423 2.490 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(CC3(F)F)C1)OCO2 ZINC000844760292 640830077 /nfs/dbraw/zinc/83/00/77/640830077.db2.gz PIGMYICLAWXGBT-ZDUSSCGKSA-N 1 0 283.274 2.352 20 10 CECDRO COC(=O)c1cnc(SC[C@H]2CCC[N@@H+]2C)s1 ZINC000917778783 640916864 /nfs/dbraw/zinc/91/68/64/640916864.db2.gz UPIBNSMORMTGMM-MRVPVSSYSA-N 1 0 272.395 2.116 20 10 CECDRO COC(=O)CC1([NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000846027413 641157309 /nfs/dbraw/zinc/15/73/09/641157309.db2.gz OUKPHIWYLCNNTL-UHFFFAOYSA-N 1 0 263.337 2.194 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000846144273 641200155 /nfs/dbraw/zinc/20/01/55/641200155.db2.gz BXJMPEDPLYTPEZ-JQWIXIFHSA-N 1 0 287.363 2.332 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@]2(C)CCOC2)c1O ZINC000846143405 641200553 /nfs/dbraw/zinc/20/05/53/641200553.db2.gz FKEDIWGEIAXHON-ABAIWWIYSA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)c1O ZINC000846146781 641202338 /nfs/dbraw/zinc/20/23/38/641202338.db2.gz LLENTPHDJSUDAF-VXGBXAGGSA-N 1 0 275.352 2.337 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCc2ccn(C)n2)c1O ZINC000846162036 641207896 /nfs/dbraw/zinc/20/78/96/641207896.db2.gz FVYTVDZEHXYRKX-LLVKDONJSA-N 1 0 275.352 2.028 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1O ZINC000846164366 641209201 /nfs/dbraw/zinc/20/92/01/641209201.db2.gz PGZMMEUHSNGPTL-RAIGVLPGSA-N 1 0 265.353 2.355 20 10 CECDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846165841 641209751 /nfs/dbraw/zinc/20/97/51/641209751.db2.gz ZQWJIEMVDVGCEG-KBIXYVOKSA-N 1 0 265.353 2.379 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@@H](O)C(F)F ZINC000846170416 641211370 /nfs/dbraw/zinc/21/13/70/641211370.db2.gz NNAJEODMUIZVLS-DFAYQTQMSA-N 1 0 289.322 2.456 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CO[C@@H](C)C2)c1O ZINC000846170711 641211685 /nfs/dbraw/zinc/21/16/85/641211685.db2.gz CKWOSEPATFWGNJ-GARJFASQSA-N 1 0 251.326 2.229 20 10 CECDRO C[C@@H]([NH2+][C@H](CO)CCF)c1cc(Cl)ccc1O ZINC000846209841 641223307 /nfs/dbraw/zinc/22/33/07/641223307.db2.gz VUJDFTVEQAMKDZ-SCZZXKLOSA-N 1 0 261.724 2.417 20 10 CECDRO COc1cc(C[NH+]2CCC(C)(O)CC2)c(O)cc1C ZINC000179447271 641350744 /nfs/dbraw/zinc/35/07/44/641350744.db2.gz DRPSPLFJBHAUSD-UHFFFAOYSA-N 1 0 265.353 2.056 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c(O)c1 ZINC000846699696 641401037 /nfs/dbraw/zinc/40/10/37/641401037.db2.gz VVZUCDTVXGHNJA-AAEUAGOBSA-N 1 0 264.369 2.103 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000846957616 641499650 /nfs/dbraw/zinc/49/96/50/641499650.db2.gz JPUPOCVUKWFXPH-OAHLLOKOSA-N 1 0 289.423 2.147 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000877316461 650671017 /nfs/dbraw/zinc/67/10/17/650671017.db2.gz AWUGWKLYIDUOAM-UHFFFAOYSA-N 1 0 291.391 2.330 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)c1 ZINC000252818107 641586585 /nfs/dbraw/zinc/58/65/85/641586585.db2.gz ZADBHFSSTHBSBZ-ADWYPQAOSA-N 1 0 285.409 2.209 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](c2nccn2C)C2CC2)c1 ZINC000183327095 641729355 /nfs/dbraw/zinc/72/93/55/641729355.db2.gz WIRBGYJBCQJOTF-HNNXBMFYSA-N 1 0 287.363 2.375 20 10 CECDRO C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccccc1O ZINC000183525367 641760596 /nfs/dbraw/zinc/76/05/96/641760596.db2.gz YSWSEWDWNTZPGL-ZIAGYGMSSA-N 1 0 279.380 2.486 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CC2(CO)CCC2)c1O ZINC000184744790 641900197 /nfs/dbraw/zinc/90/01/97/641900197.db2.gz HSLYBROVDFTOKA-UHFFFAOYSA-N 1 0 285.771 2.306 20 10 CECDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185531035 641990803 /nfs/dbraw/zinc/99/08/03/641990803.db2.gz KVNLZPVSELAXLC-MWLCHTKSSA-N 1 0 273.373 2.296 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)c(O)c1 ZINC000185791333 642029115 /nfs/dbraw/zinc/02/91/15/642029115.db2.gz ZNTZQFOTXADCFR-NEPJUHHUSA-N 1 0 285.409 2.174 20 10 CECDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185791803 642029253 /nfs/dbraw/zinc/02/92/53/642029253.db2.gz AJFVKUYWZVEZAR-ZJUUUORDSA-N 1 0 289.372 2.005 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@](C)(CO)OC)cc1 ZINC000848558239 642052217 /nfs/dbraw/zinc/05/22/17/642052217.db2.gz KOVWHXWRBOLIQL-CJNGLKHVSA-N 1 0 280.412 2.191 20 10 CECDRO CC[NH+](CC)[C@@H]1CCN(Cc2c(O)cccc2OC)C1 ZINC000768243123 642091781 /nfs/dbraw/zinc/09/17/81/642091781.db2.gz GGWXCTWFULTDGU-CYBMUJFWSA-N 1 0 278.396 2.317 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](O)COCC(C)C)c1O ZINC000848893324 642174769 /nfs/dbraw/zinc/17/47/69/642174769.db2.gz CDQKSYFKHQEZEH-HNNXBMFYSA-N 1 0 281.396 2.078 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000848899161 642178350 /nfs/dbraw/zinc/17/83/50/642178350.db2.gz DFGQZXPASVDGRH-NVXWUHKLSA-N 1 0 291.391 2.382 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c1O ZINC000848904263 642181907 /nfs/dbraw/zinc/18/19/07/642181907.db2.gz OSBXTBHFYIUPQA-RISCZKNCSA-N 1 0 276.380 2.040 20 10 CECDRO CCCN1CCC[N@H+](Cc2cccc(CC)c2O)CC1=O ZINC000848905276 642182933 /nfs/dbraw/zinc/18/29/33/642182933.db2.gz FYIHOXZTWQAYJH-UHFFFAOYSA-N 1 0 290.407 2.399 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000877476271 650739868 /nfs/dbraw/zinc/73/98/68/650739868.db2.gz AALRMHOFMHEIFO-SGTLLEGYSA-N 1 0 267.394 2.044 20 10 CECDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCCNC(=O)C1 ZINC000877479703 650741642 /nfs/dbraw/zinc/74/16/42/650741642.db2.gz WHNKCMRRUBRRBH-OAHLLOKOSA-N 1 0 275.396 2.030 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000877487286 650745698 /nfs/dbraw/zinc/74/56/98/650745698.db2.gz SDCYYXWEIKIOIB-XJKSGUPXSA-N 1 0 277.364 2.080 20 10 CECDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2O)CC1 ZINC000186354740 642374339 /nfs/dbraw/zinc/37/43/39/642374339.db2.gz RHXWIZRSYHBEQV-LBPRGKRZSA-N 1 0 292.379 2.349 20 10 CECDRO Cc1ccc(C[NH2+]CC2([S@](C)=O)CCC2)c(O)c1 ZINC000877496844 650751595 /nfs/dbraw/zinc/75/15/95/650751595.db2.gz ZWZMOJOOTRZJSR-SFHVURJKSA-N 1 0 267.394 2.091 20 10 CECDRO COc1ccc(C[NH2+]CCC[C@@H]2CCO2)c(O)c1 ZINC000877493049 650749728 /nfs/dbraw/zinc/74/97/28/650749728.db2.gz CHGKPWCLSXUQDC-GFCCVEGCSA-N 1 0 251.326 2.060 20 10 CECDRO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(O)c1 ZINC000877495549 650750420 /nfs/dbraw/zinc/75/04/20/650750420.db2.gz YLSTWCCXUIPOEA-PBHICJAKSA-N 1 0 291.391 2.471 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC1([S@](C)=O)CCC1 ZINC000877496190 650750464 /nfs/dbraw/zinc/75/04/64/650750464.db2.gz NWLPHLDCEFAIRN-SFHVURJKSA-N 1 0 267.394 2.091 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000877494281 650750718 /nfs/dbraw/zinc/75/07/18/650750718.db2.gz JIMNXBDMZQKYKV-PBHICJAKSA-N 1 0 291.391 2.471 20 10 CECDRO CC(C)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1=O ZINC000921742149 642569283 /nfs/dbraw/zinc/56/92/83/642569283.db2.gz DARKCWIFNAKIHC-HNNXBMFYSA-N 1 0 288.391 2.111 20 10 CECDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)[nH]n1 ZINC000921757049 642585689 /nfs/dbraw/zinc/58/56/89/642585689.db2.gz ARFKYPWBTXVKKU-UHFFFAOYSA-N 1 0 257.337 2.333 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2nccn2C(C)C)c1 ZINC000850137791 642590916 /nfs/dbraw/zinc/59/09/16/642590916.db2.gz WSYGDPCQSVAFSJ-UHFFFAOYSA-N 1 0 275.352 2.468 20 10 CECDRO COCCOC[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921782078 642611186 /nfs/dbraw/zinc/61/11/86/642611186.db2.gz DLSRTJRUTBVFGQ-ZDUSSCGKSA-N 1 0 279.380 2.153 20 10 CECDRO Cc1ccc(C[N@H+](C)CCCn2ccnc2)c(O)c1 ZINC000877527603 650768569 /nfs/dbraw/zinc/76/85/69/650768569.db2.gz MDFCNMOBHPGTCM-UHFFFAOYSA-N 1 0 259.353 2.419 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000850351468 642678022 /nfs/dbraw/zinc/67/80/22/642678022.db2.gz NCEBFWXQHWHHJO-GFCCVEGCSA-N 1 0 278.396 2.363 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000850388679 642695758 /nfs/dbraw/zinc/69/57/58/642695758.db2.gz OSLIUMBXDBTBBS-STQMWFEESA-N 1 0 267.756 2.439 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2O)c(OC)n1 ZINC000877543186 650778073 /nfs/dbraw/zinc/77/80/73/650778073.db2.gz ZRHVBJRMUAEOTA-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc(N2CCCCC2)cc1 ZINC000850482172 642727652 /nfs/dbraw/zinc/72/76/52/642727652.db2.gz QFJQABQIZMKRAH-CJNGLKHVSA-N 1 0 287.407 2.216 20 10 CECDRO CCOC[C@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489959 642731023 /nfs/dbraw/zinc/73/10/23/642731023.db2.gz YWXYTHJGVNDUAK-UONOGXRCSA-N 1 0 278.396 2.289 20 10 CECDRO CCn1cc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)nn1 ZINC000850522751 642739215 /nfs/dbraw/zinc/73/92/15/642739215.db2.gz YTGBVCXZOSHNDH-LBPRGKRZSA-N 1 0 274.368 2.471 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c(O)c1 ZINC000877572342 650795163 /nfs/dbraw/zinc/79/51/63/650795163.db2.gz POSWPTJTBBYQKD-AAEUAGOBSA-N 1 0 289.297 2.446 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000877603637 650809554 /nfs/dbraw/zinc/80/95/54/650809554.db2.gz RLWMWMLIXWRSNY-CYBMUJFWSA-N 1 0 284.363 2.177 20 10 CECDRO COc1cccc(C[NH2+]Cc2cc(N(C)C)ccn2)c1O ZINC000922477618 643087859 /nfs/dbraw/zinc/08/78/59/643087859.db2.gz BNKJLPYYCXTCTF-UHFFFAOYSA-N 1 0 287.363 2.152 20 10 CECDRO CC(C)[NH2+]CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000851637127 643103950 /nfs/dbraw/zinc/10/39/50/643103950.db2.gz DHXHXQUAQIXJKD-UHFFFAOYSA-N 1 0 291.439 2.488 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCN2C)cc1F ZINC000922575269 643134406 /nfs/dbraw/zinc/13/44/06/643134406.db2.gz FTCLMCAGBCIJHH-AWEZNQCLSA-N 1 0 279.403 2.466 20 10 CECDRO C[C@H]1COC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000922641303 643180251 /nfs/dbraw/zinc/18/02/51/643180251.db2.gz ZZWFCFBONVZIKH-ZANVPECISA-N 1 0 270.323 2.155 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCc3n[nH]cc3C2)c(O)c1 ZINC000877643609 650831178 /nfs/dbraw/zinc/83/11/78/650831178.db2.gz LFNHNEXXBGMVRO-UHFFFAOYSA-N 1 0 257.337 2.372 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1 ZINC000852534296 643460439 /nfs/dbraw/zinc/46/04/39/643460439.db2.gz KAJVCGOUFBVWEX-GDBMZVCRSA-N 1 0 260.381 2.221 20 10 CECDRO CCC[C@H](CCO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000877667062 650841484 /nfs/dbraw/zinc/84/14/84/650841484.db2.gz LESHTJWQQCUZEU-GFCCVEGCSA-N 1 0 283.368 2.050 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1O ZINC000852584971 643483014 /nfs/dbraw/zinc/48/30/14/643483014.db2.gz VVRVLWGNPYOLRN-ZIAGYGMSSA-N 1 0 293.338 2.127 20 10 CECDRO Cc1ccc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c(O)c1 ZINC000877693718 650853938 /nfs/dbraw/zinc/85/39/38/650853938.db2.gz ORERKHVRBOMMLE-LDYMZIIASA-N 1 0 263.259 2.102 20 10 CECDRO Cc1cc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1N(C)C ZINC000923364175 643680036 /nfs/dbraw/zinc/68/00/36/643680036.db2.gz IXNFYZLJIBDKML-IYBDPMFKSA-N 1 0 273.424 2.387 20 10 CECDRO Cc1cc(Cl)cc(CNCC23CC(C2)C[NH2+]3)c1O ZINC000853245648 643719859 /nfs/dbraw/zinc/71/98/59/643719859.db2.gz ARSIRSVZLRLEIO-UHFFFAOYSA-N 1 0 266.772 2.196 20 10 CECDRO COc1cc(O)c(C[NH2+]CCC(C)(C)OC)cc1OC ZINC000877707954 650863484 /nfs/dbraw/zinc/86/34/84/650863484.db2.gz SGFRIAVBWXBUCZ-UHFFFAOYSA-N 1 0 283.368 2.314 20 10 CECDRO C[N@@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H]1COCCO1 ZINC000853558341 643812786 /nfs/dbraw/zinc/81/27/86/643812786.db2.gz RMACHXQUBGNVRZ-MRXNPFEDSA-N 1 0 291.391 2.118 20 10 CECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000853586984 643824095 /nfs/dbraw/zinc/82/40/95/643824095.db2.gz CJVYXJKYQWTKRY-ZIAGYGMSSA-N 1 0 284.359 2.409 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(O)cc1C ZINC000853591320 643827116 /nfs/dbraw/zinc/82/71/16/643827116.db2.gz PTVNZQXEVQQVLD-JSGCOSHPSA-N 1 0 277.364 2.178 20 10 CECDRO CCOc1ccc(O)c(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877743573 650888652 /nfs/dbraw/zinc/88/86/52/650888652.db2.gz LDWKPFMVCQBOQU-XJKSGUPXSA-N 1 0 290.407 2.317 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000877743384 650889306 /nfs/dbraw/zinc/88/93/06/650889306.db2.gz KFORQDUAFFEYNF-WBVHZDCISA-N 1 0 273.424 2.279 20 10 CECDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C12CCC2 ZINC000839182683 644181062 /nfs/dbraw/zinc/18/10/62/644181062.db2.gz PAXABGJZFBMALA-CABCVRRESA-N 1 0 291.347 2.168 20 10 CECDRO COc1ccc(O)c(C[NH+]2CCC(C(C)(C)O)CC2)c1 ZINC000877754063 650898102 /nfs/dbraw/zinc/89/81/02/650898102.db2.gz UNQZNKSTBGPAMN-UHFFFAOYSA-N 1 0 279.380 2.384 20 10 CECDRO COCCCn1nccc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758206 650899868 /nfs/dbraw/zinc/89/98/68/650899868.db2.gz MYYNXHCCMYVUHJ-ZDUSSCGKSA-N 1 0 289.379 2.476 20 10 CECDRO C[C@H]([NH2+]Cc1cnn2c1CCC2)c1ccccc1O ZINC000877758384 650900502 /nfs/dbraw/zinc/90/05/02/650900502.db2.gz XGBNTKNCYPZDDY-NSHDSACASA-N 1 0 257.337 2.386 20 10 CECDRO C[C@H](C1CC1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839460623 644227509 /nfs/dbraw/zinc/22/75/09/644227509.db2.gz QGUSZMMEIOKXPU-CYBMUJFWSA-N 1 0 289.423 2.099 20 10 CECDRO CC(C)(O)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000877836099 650928661 /nfs/dbraw/zinc/92/86/61/650928661.db2.gz MSHXXRNYYASPSG-NSHDSACASA-N 1 0 253.317 2.124 20 10 CECDRO C[C@H]([NH2+]C[C@H]1COCCO1)c1cc2c(cc1O)CCCC2 ZINC000756435107 644648522 /nfs/dbraw/zinc/64/85/22/644648522.db2.gz VSOAQGGOEPPZDT-WFASDCNBSA-N 1 0 291.391 2.337 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc2c(cc1O)CCCC2 ZINC000756528728 644658765 /nfs/dbraw/zinc/65/87/65/644658765.db2.gz VYZDYAIGRWPABG-SMDDNHRTSA-N 1 0 288.391 2.152 20 10 CECDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000756544548 644661893 /nfs/dbraw/zinc/66/18/93/644661893.db2.gz KDTYWIQAEJZKIF-RYUDHWBXSA-N 1 0 298.814 2.417 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756577227 644670456 /nfs/dbraw/zinc/67/04/56/644670456.db2.gz QWVCETGBTNQRQR-XDMRBOTDSA-N 1 0 283.343 2.067 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2c1c(F)ccc2O ZINC000756595494 644673717 /nfs/dbraw/zinc/67/37/17/644673717.db2.gz WCEWIJUZSCBAFR-SCVCMEIPSA-N 1 0 292.354 2.290 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)c2c1c(F)ccc2O ZINC000756637191 644676613 /nfs/dbraw/zinc/67/66/13/644676613.db2.gz HCXGVRWFIPUXGB-ADEWGFFLSA-N 1 0 292.354 2.290 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c(O)c1 ZINC000756738304 644687979 /nfs/dbraw/zinc/68/79/79/644687979.db2.gz NUMAFTSXYBUJDH-MLGOLLRUSA-N 1 0 279.380 2.139 20 10 CECDRO COC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756780236 644691338 /nfs/dbraw/zinc/69/13/38/644691338.db2.gz XSJQCOYRFFDSGM-HOSYDEDBSA-N 1 0 283.343 2.067 20 10 CECDRO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(F)ccc1O ZINC000756790728 644692344 /nfs/dbraw/zinc/69/23/44/644692344.db2.gz OSBGZFWRMRILSB-SNVBAGLBSA-N 1 0 290.342 2.238 20 10 CECDRO CN(C)c1ccc(/C=C\CN(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000843049118 644745593 /nfs/dbraw/zinc/74/55/93/644745593.db2.gz FMGWHPXSDCIREO-YIEVGGLXSA-N 1 0 259.397 2.060 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)C2CCOCC2)c1 ZINC000757656648 644831487 /nfs/dbraw/zinc/83/14/87/644831487.db2.gz BVWYKHNKXSOZPK-IUODEOHRSA-N 1 0 279.380 2.139 20 10 CECDRO COC[C@H](C)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858108310 645063501 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CCOc1ccc(O)c(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000863653031 646778283 /nfs/dbraw/zinc/77/82/83/646778283.db2.gz YFYHBZZRFXGUEK-CALCHBBNSA-N 1 0 290.407 2.222 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@]2(C)CO)cc1 ZINC000773847683 646780753 /nfs/dbraw/zinc/78/07/53/646780753.db2.gz OZZBDIZAWSBAAJ-MRXNPFEDSA-N 1 0 262.397 2.490 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)C2(CO)CCOCC2)cc1 ZINC000773889600 646784427 /nfs/dbraw/zinc/78/44/27/646784427.db2.gz YITCBUNGIAQFJU-UHFFFAOYSA-N 1 0 292.423 2.116 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCCNC1=O)c1cc(Cl)ccc1O ZINC000775500111 646960747 /nfs/dbraw/zinc/96/07/47/646960747.db2.gz PABSRHQGYLLKDG-NEPJUHHUSA-N 1 0 282.771 2.365 20 10 CECDRO CC[C@@H]([NH2+]C[C@@](C)(O)COC)c1cc(Cl)ccc1O ZINC000775504289 646961481 /nfs/dbraw/zinc/96/14/81/646961481.db2.gz XHFFVYLNBHNNHP-TZMCWYRMSA-N 1 0 287.787 2.484 20 10 CECDRO CC[C@H]([NH2+][C@H](C)[C@H]1CN(C)CCO1)c1ccccc1O ZINC000775522022 646962935 /nfs/dbraw/zinc/96/29/35/646962935.db2.gz HMRPHOBZEAUHGV-IVMMDQJWSA-N 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OCC[N@H+](Cc1cc(Cl)ccc1O)C1CCC1 ZINC000784672814 647874361 /nfs/dbraw/zinc/87/43/61/647874361.db2.gz OZZNDSMIKBZSJW-UHFFFAOYSA-N 1 0 255.745 2.392 20 10 CECDRO COC(=O)C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000785791675 647957720 /nfs/dbraw/zinc/95/77/20/647957720.db2.gz HWEMWVWSLVOBLG-OAHLLOKOSA-N 1 0 276.380 2.184 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1 ZINC000785987209 647975729 /nfs/dbraw/zinc/97/57/29/647975729.db2.gz GJJRDIGHVQWXPO-YWPYICTPSA-N 1 0 279.380 2.382 20 10 CECDRO COc1cccc(C[NH2+]CC[C@@H](OC)C(F)(F)F)c1O ZINC000786824209 648048003 /nfs/dbraw/zinc/04/80/03/648048003.db2.gz SWZFUNACIMAVMM-LLVKDONJSA-N 1 0 293.285 2.458 20 10 CECDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2O)s1 ZINC000786825891 648048538 /nfs/dbraw/zinc/04/85/38/648048538.db2.gz BIBZYKLHSPSRDN-UHFFFAOYSA-N 1 0 297.401 2.147 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)[C@H]1C ZINC000787247253 648090317 /nfs/dbraw/zinc/09/03/17/648090317.db2.gz SNGYKTLNQKIRDZ-NHYWBVRUSA-N 1 0 289.375 2.264 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)c1 ZINC000787421155 648107502 /nfs/dbraw/zinc/10/75/02/648107502.db2.gz NYSXTZHEWFAARV-FZMZJTMJSA-N 1 0 293.363 2.174 20 10 CECDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000788269413 648167276 /nfs/dbraw/zinc/16/72/76/648167276.db2.gz NITHILVXFLXPDM-GZMMTYOYSA-N 1 0 286.169 2.110 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000788271128 648168370 /nfs/dbraw/zinc/16/83/70/648168370.db2.gz YODKCHKVQUFAHU-JOYOIKCWSA-N 1 0 255.745 2.309 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CCOC(C)C)c1 ZINC000788276746 648169135 /nfs/dbraw/zinc/16/91/35/648169135.db2.gz UYANTEQZFMHQDV-STQMWFEESA-N 1 0 297.395 2.227 20 10 CECDRO CN(CC1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000788486352 648193626 /nfs/dbraw/zinc/19/36/26/648193626.db2.gz UMCLHZIUTYIFLY-UHFFFAOYSA-N 1 0 262.353 2.193 20 10 CECDRO C[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000789558328 648317375 /nfs/dbraw/zinc/31/73/75/648317375.db2.gz 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/nfs/dbraw/zinc/97/12/04/648971204.db2.gz OGMOGPGIAHVMJP-LLVKDONJSA-N 1 0 250.342 2.089 20 10 CECDRO C[NH+](C)Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)cn1 ZINC000871204796 649031848 /nfs/dbraw/zinc/03/18/48/649031848.db2.gz LDQVEYHLHTXVMO-UHFFFAOYSA-N 1 0 297.358 2.005 20 10 CECDRO O=C1OCC[C@@H]1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000872111731 649280984 /nfs/dbraw/zinc/28/09/84/649280984.db2.gz GDWXRHZJCYWRCJ-STQMWFEESA-N 1 0 275.348 2.312 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@H]2CCCCN(C)C2=O)c1 ZINC000872672410 649453570 /nfs/dbraw/zinc/45/35/70/649453570.db2.gz OCKBPJUHXOETSE-HNNXBMFYSA-N 1 0 290.407 2.452 20 10 CECDRO Oc1cc2c(cc1C[N@H+]1C[C@@H]3CC=CC[C@@H]3C1)[C@H](O)CO2 ZINC000872713167 649465397 /nfs/dbraw/zinc/46/53/97/649465397.db2.gz LICZAQDQQGYWFG-BFQNTYOBSA-N 1 0 287.359 2.216 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1C ZINC000873105436 649558995 /nfs/dbraw/zinc/55/89/95/649558995.db2.gz WCKRYOPIKVFBFO-MRXNPFEDSA-N 1 0 279.380 2.025 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000873122546 649562802 /nfs/dbraw/zinc/56/28/02/649562802.db2.gz SUCMNDSHNREMCT-LRDDRELGSA-N 1 0 290.407 2.398 20 10 CECDRO CCCOc1ccc(C[NH2+]CC[C@@]2(O)CCOC2)cc1C ZINC000873134135 649566355 /nfs/dbraw/zinc/56/63/55/649566355.db2.gz XRNGYHOFBJOBQW-QGZVFWFLSA-N 1 0 293.407 2.415 20 10 CECDRO COc1cc(O)c(CN2CCCCC[C@@H]([NH3+])C2)cc1OC ZINC000873216818 649593888 /nfs/dbraw/zinc/59/38/88/649593888.db2.gz YLIQOMFNRNUENF-CYBMUJFWSA-N 1 0 294.395 2.113 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(F)cc(F)c1[O-] ZINC000873256845 649612706 /nfs/dbraw/zinc/61/27/06/649612706.db2.gz PCNGKUVGLHUOET-NQMVMOMDSA-N 1 0 256.296 2.058 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CCCC2)c1 ZINC000020127269 649728168 /nfs/dbraw/zinc/72/81/68/649728168.db2.gz PBMCJHQKXOGLBL-LBPRGKRZSA-N 1 0 292.379 2.064 20 10 CECDRO [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H](O)C1 ZINC000127987928 651347602 /nfs/dbraw/zinc/34/76/02/651347602.db2.gz LRZXUHHRIQUTRA-JTQLQIEISA-N 1 0 286.169 2.111 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(F)cc1[O-] ZINC000128116429 651365799 /nfs/dbraw/zinc/36/57/99/651365799.db2.gz FZTFEFUXECSAGL-HJIKLVIJSA-N 1 0 253.317 2.341 20 10 CECDRO C[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000129318243 651908467 /nfs/dbraw/zinc/90/84/67/651908467.db2.gz LOSSNBHOFXNTEN-NEPJUHHUSA-N 1 0 298.814 2.208 20 10 CECDRO Cn1nc2c(c1C[NH2+]Cc1ccccc1O)CSCC2 ZINC000882955733 652286663 /nfs/dbraw/zinc/28/66/63/652286663.db2.gz RHPCBDROHULGQF-UHFFFAOYSA-N 1 0 289.404 2.205 20 10 CECDRO COC(=O)c1ccc(O)c([C@H](C)N[C@@H](C)C(F)F)c1 ZINC000883399718 652456055 /nfs/dbraw/zinc/45/60/55/652456055.db2.gz UCQYXFXGZYOEAO-YUMQZZPRSA-N 1 0 273.279 2.483 20 10 CECDRO COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)C(F)F)c1 ZINC000883399717 652456175 /nfs/dbraw/zinc/45/61/75/652456175.db2.gz UCQYXFXGZYOEAO-SFYZADRCSA-N 1 0 273.279 2.483 20 10 CECDRO CCOC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000132468317 652522778 /nfs/dbraw/zinc/52/27/78/652522778.db2.gz OLSNJQYLQKRHKN-UHFFFAOYSA-N 1 0 265.353 2.402 20 10 CECDRO CCCN(Cc1cn(CC)nn1)Cc1ccccc1O ZINC000884003551 652627279 /nfs/dbraw/zinc/62/72/79/652627279.db2.gz YYRAKMJEAUAEES-UHFFFAOYSA-N 1 0 274.368 2.416 20 10 CECDRO CCN(CC)C(=O)C[NH2+]Cc1c(O)cccc1Cl ZINC000134653000 652867782 /nfs/dbraw/zinc/86/77/82/652867782.db2.gz CBVBMVBZEGAADZ-UHFFFAOYSA-N 1 0 270.760 2.004 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1O ZINC000839193720 805574903 /nfs/dbraw/zinc/57/49/03/805574903.db2.gz WKCUDSDLOXVLJW-RYUDHWBXSA-N 1 0 265.378 2.481 20 10 CECDRO Cn1ccc2c1[nH+]ccc2NCCc1cc(O)c(O)cc1O ZINC001168014161 805726772 /nfs/dbraw/zinc/72/67/72/805726772.db2.gz ODJSVKRBCKJPPQ-UHFFFAOYSA-N 1 0 299.330 2.345 20 10 CECDRO COc1ccc(N2CC[NH+]([C@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC001168101873 806164696 /nfs/dbraw/zinc/16/46/96/806164696.db2.gz BJSZUWGILIISLK-HOCLYGCPSA-N 1 0 290.407 2.385 20 10 CECDRO Cc1cccc(C[N@H+](C)Cc2cccc(=O)[nH]2)c1O ZINC000897392228 806325582 /nfs/dbraw/zinc/32/55/82/806325582.db2.gz SIVOZYJSCXZGJF-UHFFFAOYSA-N 1 0 258.321 2.433 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1C ZINC000093420566 806351826 /nfs/dbraw/zinc/35/18/26/806351826.db2.gz HYXXTXKRLIBERI-CHWSQXEVSA-N 1 0 299.436 2.262 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1 ZINC000697589994 806599521 /nfs/dbraw/zinc/59/95/21/806599521.db2.gz RFCAAFJMUOOOSU-CYBMUJFWSA-N 1 0 298.452 2.056 20 10 CECDRO CNC(=O)CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000398351644 802836751 /nfs/dbraw/zinc/83/67/51/802836751.db2.gz JWROKTNPLDPBEZ-VXGBXAGGSA-N 1 0 276.380 2.365 20 10 CECDRO CC1(C)CN(Cc2c(O)cccc2Br)CC[NH2+]1 ZINC000706861355 802847399 /nfs/dbraw/zinc/84/73/99/802847399.db2.gz PPXMMFOSWQJCPP-UHFFFAOYSA-N 1 0 299.212 2.339 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CC(=O)N(C)C2)c1 ZINC000723546093 802884669 /nfs/dbraw/zinc/88/46/69/802884669.db2.gz MUIZNEKOEHCHOE-STQMWFEESA-N 1 0 276.380 2.220 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CC(=O)N(C)C2)c1 ZINC000723546090 802884704 /nfs/dbraw/zinc/88/47/04/802884704.db2.gz MUIZNEKOEHCHOE-CHWSQXEVSA-N 1 0 276.380 2.220 20 10 CECDRO CN(Cc1c(O)cccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000707156106 802897429 /nfs/dbraw/zinc/89/74/29/802897429.db2.gz SEQMSQGPYDWMRJ-JTQLQIEISA-N 1 0 299.212 2.291 20 10 CECDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140465422 802949390 /nfs/dbraw/zinc/94/93/90/802949390.db2.gz MWOBLJNCTAWGRL-LBPRGKRZSA-N 1 0 282.771 2.098 20 10 CECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749031 803514487 /nfs/dbraw/zinc/51/44/87/803514487.db2.gz PIPGRPXHYLKASZ-INIZCTEOSA-N 1 0 293.363 2.181 20 10 CECDRO CCc1cccc(C[NH2+]CC[C@H](COC)OC)c1O ZINC000694254228 803523594 /nfs/dbraw/zinc/52/35/94/803523594.db2.gz IMSCJBYEQPSEIO-CQSZACIVSA-N 1 0 267.369 2.096 20 10 CECDRO C[NH2+][C@H](C)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001117953711 814969233 /nfs/dbraw/zinc/96/92/33/814969233.db2.gz MZSVKYDQMZTMRC-CQSZACIVSA-N 1 0 261.413 2.374 20 10 CECDRO [NH3+][C@H](CNCc1ccc(N2CCCC2)cc1)C1CC1 ZINC001118018310 814977092 /nfs/dbraw/zinc/97/70/92/814977092.db2.gz FXYMOUKMYMEBKF-MRXNPFEDSA-N 1 0 259.397 2.114 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c1O ZINC000722331129 804297557 /nfs/dbraw/zinc/29/75/57/804297557.db2.gz ARMGLCPYMAHOPI-KGLIPLIRSA-N 1 0 277.364 2.448 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c1O ZINC000722331130 804297739 /nfs/dbraw/zinc/29/77/39/804297739.db2.gz ARMGLCPYMAHOPI-UONOGXRCSA-N 1 0 277.364 2.448 20 10 CECDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000393968456 804514092 /nfs/dbraw/zinc/51/40/92/804514092.db2.gz VIPCVNDAZKTXGR-INIZCTEOSA-N 1 0 292.423 2.020 20 10 CECDRO Cc1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC001119295170 815083867 /nfs/dbraw/zinc/08/38/67/815083867.db2.gz DWIGSWFOXGZBPR-HNNXBMFYSA-N 1 0 260.381 2.371 20 10 CECDRO COc1cc(N(C)C)ccc1C[N@H+](C)C1CCOCC1 ZINC001231849058 807194531 /nfs/dbraw/zinc/19/45/31/807194531.db2.gz MXWXEXPOPFBBSU-UHFFFAOYSA-N 1 0 278.396 2.372 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CCc3nncn3CC2)cc1Cl ZINC001231868675 807195253 /nfs/dbraw/zinc/19/52/53/807195253.db2.gz WAEKFDVPPNVOGN-UHFFFAOYSA-N 1 0 292.770 2.004 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)cc1Cl ZINC001232258366 807237359 /nfs/dbraw/zinc/23/73/59/807237359.db2.gz VUCWRJAPOQMGQJ-OTYXRUKQSA-N 1 0 283.755 2.362 20 10 CECDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233013704 807356710 /nfs/dbraw/zinc/35/67/10/807356710.db2.gz SDISOHVHMOBCKH-VHSXEESVSA-N 1 0 251.326 2.424 20 10 CECDRO Cc1cc(C[NH2+]Cc2c(O)cccc2Cl)[nH]n1 ZINC000716465504 815126901 /nfs/dbraw/zinc/12/69/01/815126901.db2.gz YLALOJGJLFKCEW-UHFFFAOYSA-N 1 0 251.717 2.367 20 10 CECDRO Cc1nc(C)c(C[N@@H+]2CCc3cccc(O)c3C2)[nH]1 ZINC001234644174 807700708 /nfs/dbraw/zinc/70/07/08/807700708.db2.gz ADHFIDXIKMKONY-UHFFFAOYSA-N 1 0 257.337 2.290 20 10 CECDRO CCc1ccc(C[N@@H+]2CCNC[C@H]2C(C)C)c(O)c1 ZINC001235457854 807832434 /nfs/dbraw/zinc/83/24/34/807832434.db2.gz HWKWGZGCBMGXNO-HNNXBMFYSA-N 1 0 262.397 2.384 20 10 CECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000716908378 815159137 /nfs/dbraw/zinc/15/91/37/815159137.db2.gz LRBITPRKXDWOAU-GXTWGEPZSA-N 1 0 250.386 2.392 20 10 CECDRO [NH3+][C@]12CC[C@@H]1CN(Cc1cccc(C(F)(F)F)c1O)C2 ZINC001235997985 807916860 /nfs/dbraw/zinc/91/68/60/807916860.db2.gz ZZJBAOXTTAYQGM-MFKMUULPSA-N 1 0 286.297 2.334 20 10 CECDRO COC(=O)[C@](C)(C[NH2+]Cc1ccc(N)cc1)c1ccccc1 ZINC001120269427 815209040 /nfs/dbraw/zinc/20/90/40/815209040.db2.gz SIOPFYYUUVLIEA-GOSISDBHSA-N 1 0 298.386 2.489 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)C1(O)CCCC1)c1ccc(N(C)C)cc1 ZINC001120354846 815215455 /nfs/dbraw/zinc/21/54/55/815215455.db2.gz IQVIDGKSICKENS-BBRMVZONSA-N 1 0 292.423 2.069 20 10 CECDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000921662369 808746777 /nfs/dbraw/zinc/74/67/77/808746777.db2.gz NRKMRUXMUGJDMI-HNNXBMFYSA-N 1 0 298.390 2.016 20 10 CECDRO CC(C)[NH+](CCNC(=O)NCc1ccc(N)cc1)C(C)C ZINC001120660576 815253356 /nfs/dbraw/zinc/25/33/56/815253356.db2.gz UZKNFNVTQMOCAD-UHFFFAOYSA-N 1 0 292.427 2.187 20 10 CECDRO Cc1noc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001120965624 815302395 /nfs/dbraw/zinc/30/23/95/815302395.db2.gz MRBZXAFYYYQTAY-CQSZACIVSA-N 1 0 289.383 2.159 20 10 CECDRO C[N@H+]1CC=C(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708503915 809943934 /nfs/dbraw/zinc/94/39/34/809943934.db2.gz RRRSBAYZGRQJBN-UHFFFAOYSA-N 1 0 268.307 2.022 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](C)C[C@H](C)O)c1O ZINC000709492897 809962189 /nfs/dbraw/zinc/96/21/89/809962189.db2.gz VSGHLGCSONIPOC-NEPJUHHUSA-N 1 0 251.370 2.451 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001121945411 815370261 /nfs/dbraw/zinc/37/02/61/815370261.db2.gz CVNOCXYCVDQBAS-GDBMZVCRSA-N 1 0 289.423 2.084 20 10 CECDRO CCOc1cccc(C[NH2+][C@]2(CC)CCOC2)c1O ZINC000378775919 810672452 /nfs/dbraw/zinc/67/24/52/810672452.db2.gz NBCDICAQZYQENQ-OAHLLOKOSA-N 1 0 265.353 2.450 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1O ZINC001168977155 811306404 /nfs/dbraw/zinc/30/64/04/811306404.db2.gz IKVJRLGUQSKPPG-QJPTWQEYSA-N 1 0 264.325 2.488 20 10 CECDRO CC(C)COCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172458548 815445522 /nfs/dbraw/zinc/44/55/22/815445522.db2.gz DQNUKRJPBVZJRD-BLLLJJGKSA-N 1 0 297.395 2.172 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+]C[C@H]1CCCO1 ZINC000691430885 811661443 /nfs/dbraw/zinc/66/14/43/811661443.db2.gz UMNNKHHMFLZRSV-LLVKDONJSA-N 1 0 286.169 2.423 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1O ZINC000691461645 811863550 /nfs/dbraw/zinc/86/35/50/811863550.db2.gz JVALWFIJOUZTDA-OCCSQVGLSA-N 1 0 263.337 2.058 20 10 CECDRO Oc1ccc(CNc2ccc3c(c2)COC32C[NH2+]C2)cc1O ZINC001169997103 811878450 /nfs/dbraw/zinc/87/84/50/811878450.db2.gz QUWWVLCZXZWYJZ-UHFFFAOYSA-N 1 0 298.342 2.039 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000691512525 811991318 /nfs/dbraw/zinc/99/13/18/811991318.db2.gz MZXKJMYOTOUIJY-LBPRGKRZSA-N 1 0 259.353 2.329 20 10 CECDRO CC1(C)[C@@H]2C[C@@H]([NH2+]CCc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001170721641 813195219 /nfs/dbraw/zinc/19/52/19/813195219.db2.gz XVYQGPDRVHHKTK-CNDDSTCGSA-N 1 0 277.364 2.370 20 10 CECDRO COc1cccc2c1C[C@H]([NH2+]Cc1ccccc1O)CO2 ZINC001173143661 815603162 /nfs/dbraw/zinc/60/31/62/815603162.db2.gz BYHYTJVNHJJIRK-ZDUSSCGKSA-N 1 0 285.343 2.494 20 10 CECDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000389066133 813246338 /nfs/dbraw/zinc/24/63/38/813246338.db2.gz USHGSASJALYAHH-XJKSGUPXSA-N 1 0 260.381 2.411 20 10 CECDRO C[C@H]([NH2+]CCc1cnccn1)c1ccc(N(C)C)cc1 ZINC000390245097 813261719 /nfs/dbraw/zinc/26/17/19/813261719.db2.gz VOKTVDIEGYXIJD-ZDUSSCGKSA-N 1 0 270.380 2.436 20 10 CECDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000394073296 813335755 /nfs/dbraw/zinc/33/57/55/813335755.db2.gz RTLVYMFYGKOFGO-GHMZBOCLSA-N 1 0 255.333 2.446 20 10 CECDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000394073298 813336098 /nfs/dbraw/zinc/33/60/98/813336098.db2.gz RTLVYMFYGKOFGO-QWRGUYRKSA-N 1 0 255.333 2.446 20 10 CECDRO C[N@H+](Cc1cccc(O)c1)Cc1c(O)cc(O)cc1O ZINC001144500586 814091130 /nfs/dbraw/zinc/09/11/30/814091130.db2.gz VVQYOBSJDKBJFC-UHFFFAOYSA-N 1 0 275.304 2.141 20 10 CECDRO Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)ccc1N(C)C ZINC001139669564 815619331 /nfs/dbraw/zinc/61/93/31/815619331.db2.gz AZJFOSJCMVXXBS-GJZGRUSLSA-N 1 0 280.387 2.213 20 10 CECDRO C[C@@H](CNC(=O)c1cccc(O)c1O)CC(C)(C)CC[NH3+] ZINC001148224098 814537765 /nfs/dbraw/zinc/53/77/65/814537765.db2.gz BVWJZSRYHUQUIA-LLVKDONJSA-N 1 0 294.395 2.229 20 10 CECDRO C[C@H](CNC(=O)c1cccc(O)c1O)CC(C)(C)CC[NH3+] ZINC001148224100 814537815 /nfs/dbraw/zinc/53/78/15/814537815.db2.gz BVWJZSRYHUQUIA-NSHDSACASA-N 1 0 294.395 2.229 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](CO)C(C)C)c1O ZINC000691452708 814594817 /nfs/dbraw/zinc/59/48/17/814594817.db2.gz MHCZXOHIUZNZFL-CQSZACIVSA-N 1 0 251.370 2.309 20 10 CECDRO C[N@@H+]1CCN(Cc2cc(F)ccc2O)CCC1(C)C ZINC000712664883 814759469 /nfs/dbraw/zinc/75/94/69/814759469.db2.gz UUWBBCUNELOCJS-UHFFFAOYSA-N 1 0 266.360 2.447 20 10 CECDRO OC[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116444509 814853121 /nfs/dbraw/zinc/85/31/21/814853121.db2.gz WVEGAIXKDCUVSU-OAHLLOKOSA-N 1 0 260.381 2.101 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c1 ZINC000713481309 814858112 /nfs/dbraw/zinc/85/81/12/814858112.db2.gz SPWMOAGPEKDHKW-HUUCEWRRSA-N 1 0 277.364 2.448 20 10 CECDRO CCOc1ccc(N2CC[NH+](C[C@H](C)OC)CC2)cc1 ZINC001116533557 814860778 /nfs/dbraw/zinc/86/07/78/814860778.db2.gz BUACLFCZHUGADN-AWEZNQCLSA-N 1 0 278.396 2.242 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c(O)c1 ZINC000714353663 814897597 /nfs/dbraw/zinc/89/75/97/814897597.db2.gz ZOCXKACUGWGOKB-OLZOCXBDSA-N 1 0 297.420 2.319 20 10 CECDRO C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccccc1O ZINC000714383942 814903936 /nfs/dbraw/zinc/90/39/36/814903936.db2.gz XBBBYUWWSPJBDU-NWDGAFQWSA-N 1 0 283.393 2.010 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)c1 ZINC000714665276 814911411 /nfs/dbraw/zinc/91/14/11/814911411.db2.gz AHJHUHIAVRICPF-NQBHXWOUSA-N 1 0 265.353 2.476 20 10 CECDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354295 815773248 /nfs/dbraw/zinc/77/32/48/815773248.db2.gz DGNZLIPGSNQGPP-CJNGLKHVSA-N 1 0 274.408 2.414 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCCC[C@@H]3CO)ccc21 ZINC001138354174 815773742 /nfs/dbraw/zinc/77/37/42/815773742.db2.gz YBMLQQXEMSPYBE-MRXNPFEDSA-N 1 0 274.408 2.416 20 10 CECDRO CC[N@H+](Cc1ccc2c(c1)CCCN2C)C1COC1 ZINC001138357012 815775317 /nfs/dbraw/zinc/77/53/17/815775317.db2.gz YFISDFYLGKZCJE-UHFFFAOYSA-N 1 0 260.381 2.290 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCC[C@H](n2ncnn2)C1)c1ccccc1O ZINC001173734485 815805564 /nfs/dbraw/zinc/80/55/64/815805564.db2.gz FWZNBLHHGMSPSS-XQQFMLRXSA-N 1 0 287.367 2.213 20 10 CECDRO COc1cc(CN2CCC[C@@H]2CF)cc(C[NH+](C)C)c1O ZINC001139259743 815996633 /nfs/dbraw/zinc/99/66/33/815996633.db2.gz BCUNCAUWCZUJEX-CQSZACIVSA-N 1 0 296.386 2.396 20 10 CECDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055140 816179384 /nfs/dbraw/zinc/17/93/84/816179384.db2.gz LDIBWPCDAMSINB-PWSUYJOCSA-N 1 0 281.327 2.162 20 10 CECDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140055123 816179536 /nfs/dbraw/zinc/17/95/36/816179536.db2.gz JZTRCTBNFUCMCB-CQSZACIVSA-N 1 0 294.370 2.412 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@]1(C)O ZINC001140057815 816181724 /nfs/dbraw/zinc/18/17/24/816181724.db2.gz OIZZKWRAPGRKSR-YGRLFVJLSA-N 1 0 253.317 2.124 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCC(C)(C(N)=O)CC2)c1O ZINC001140182579 816205878 /nfs/dbraw/zinc/20/58/78/816205878.db2.gz VZRVAHVCJXNKJM-UHFFFAOYSA-N 1 0 276.380 2.096 20 10 CECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](CO)CCF ZINC001203011381 816209000 /nfs/dbraw/zinc/20/90/00/816209000.db2.gz GUYPFMFLJCQARU-GFCCVEGCSA-N 1 0 264.344 2.297 20 10 CECDRO CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]3C)cc2)CC1 ZINC001140302478 816227448 /nfs/dbraw/zinc/22/74/48/816227448.db2.gz RWLBULJQRMJROA-HNNXBMFYSA-N 1 0 273.424 2.423 20 10 CECDRO CN1CC2(C1)CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140464189 816261092 /nfs/dbraw/zinc/26/10/92/816261092.db2.gz FWKFLYHIOAFGHD-UHFFFAOYSA-N 1 0 266.772 2.183 20 10 CECDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140465690 816261764 /nfs/dbraw/zinc/26/17/64/816261764.db2.gz RISGFOQCTAYYPK-SKDRFNHKSA-N 1 0 255.745 2.391 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(n3cnnc3)CC2)c1 ZINC001140623538 816306194 /nfs/dbraw/zinc/30/61/94/816306194.db2.gz UHKZLZPDNAICTN-UHFFFAOYSA-N 1 0 272.352 2.129 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCN(C)[C@H](C)C2)c(O)c1 ZINC001140856279 816383053 /nfs/dbraw/zinc/38/30/53/816383053.db2.gz VTLRGKCRPQIWPI-CQSZACIVSA-N 1 0 291.439 2.374 20 10 CECDRO CCO[C@@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141028455 816450353 /nfs/dbraw/zinc/45/03/53/816450353.db2.gz PEMRRUOTTSDOHV-GFCCVEGCSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cc(O)c(C[NH+]2CCC3(CCO3)CC2)c(OC)c1 ZINC001141029004 816450706 /nfs/dbraw/zinc/45/07/06/816450706.db2.gz GXHTYJNONOXCSK-UHFFFAOYSA-N 1 0 293.363 2.164 20 10 CECDRO CCc1ncnc2c1CC[N@H+](Cc1cc(O)ccc1O)CC2 ZINC001141159910 816492439 /nfs/dbraw/zinc/49/24/39/816492439.db2.gz MUDUQLWVKQBZSJ-UHFFFAOYSA-N 1 0 299.374 2.051 20 10 CECDRO CC[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000125331127 365671543 /nfs/dbraw/zinc/67/15/43/365671543.db2.gz QWFHPSWXGXJYEQ-AWEZNQCLSA-N 1 0 289.423 2.101 20 10 CECDRO Cc1nccn1CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077329764 343916993 /nfs/dbraw/zinc/91/69/93/343916993.db2.gz QGTHQDAIALNBQV-UHFFFAOYSA-N 1 0 271.364 2.306 20 10 CECDRO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1O ZINC000178856924 344504577 /nfs/dbraw/zinc/50/45/77/344504577.db2.gz ZCKFNNBEBKQVRB-UHFFFAOYSA-N 1 0 280.368 2.349 20 10 CECDRO OCCCCC[NH2+]Cc1cc(Br)ccc1O ZINC000076275399 363532604 /nfs/dbraw/zinc/53/26/04/363532604.db2.gz DXVZYLIETNKYBQ-UHFFFAOYSA-N 1 0 288.185 2.407 20 10 CECDRO COCCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000076274277 363532814 /nfs/dbraw/zinc/53/28/14/363532814.db2.gz FVPCHUICOCFACF-UHFFFAOYSA-N 1 0 259.733 2.180 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@@H]3C1)OCO2 ZINC000147936647 366578253 /nfs/dbraw/zinc/57/82/53/366578253.db2.gz VAXNJMZMWCSZGM-PHIMTYICSA-N 1 0 261.321 2.353 20 10 CECDRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000016839691 361498089 /nfs/dbraw/zinc/49/80/89/361498089.db2.gz VBRDRJRLRNPYFY-CQSZACIVSA-N 1 0 297.420 2.018 20 10 CECDRO CCCOc1ccc(C[N@H+](C)[C@@H]2CCOC2)c(O)c1 ZINC000156099303 366826829 /nfs/dbraw/zinc/82/68/29/366826829.db2.gz RJQWJNJDAIFVSS-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000019963699 361572313 /nfs/dbraw/zinc/57/23/13/361572313.db2.gz CMZGXSDLXSDVGU-CMPLNLGQSA-N 1 0 251.326 2.230 20 10 CECDRO COc1cccc(C[NH+]2CCC(n3ccnc3)CC2)c1O ZINC000092648786 364093369 /nfs/dbraw/zinc/09/33/69/364093369.db2.gz BUDPNCMZRHPYKT-UHFFFAOYSA-N 1 0 287.363 2.434 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@](C)(O)CC)c(O)c1 ZINC000111384889 364733106 /nfs/dbraw/zinc/73/31/06/364733106.db2.gz CNZQYCWUYQMFCK-HNNXBMFYSA-N 1 0 267.369 2.432 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[S@](C)=O)cc1 ZINC000168215678 367350005 /nfs/dbraw/zinc/35/00/05/367350005.db2.gz GLUYKHMCAPUWFL-ORAYPTAESA-N 1 0 282.453 2.389 20 10 CECDRO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000168515644 367355504 /nfs/dbraw/zinc/35/55/04/367355504.db2.gz IRNMNHHTHYJJGL-OAVHHTNSSA-N 1 0 268.426 2.170 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000180058131 368367329 /nfs/dbraw/zinc/36/73/29/368367329.db2.gz FWDHJVPPBKKMON-LLVKDONJSA-N 1 0 281.327 2.116 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1 ZINC000180199410 368371706 /nfs/dbraw/zinc/37/17/06/368371706.db2.gz JFIHHJOOMYJGFE-MRXNPFEDSA-N 1 0 262.397 2.490 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1O ZINC000180560945 368386590 /nfs/dbraw/zinc/38/65/90/368386590.db2.gz ZQLBMCPKWBANFK-NSHDSACASA-N 1 0 296.798 2.441 20 10 CECDRO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000180763698 368395001 /nfs/dbraw/zinc/39/50/01/368395001.db2.gz ZMZGRISQWLOYLX-CYBMUJFWSA-N 1 0 263.337 2.228 20 10 CECDRO CCOCC[N@H+](C)Cc1cc(OCC)ccc1O ZINC000181483120 368461634 /nfs/dbraw/zinc/46/16/34/368461634.db2.gz XOZTWQRJFZWVAV-UHFFFAOYSA-N 1 0 253.342 2.259 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@H](C)[NH3+])cc1F ZINC000192111053 369773720 /nfs/dbraw/zinc/77/37/20/369773720.db2.gz YFNATPJORBYRFG-NEPJUHHUSA-N 1 0 295.402 2.271 20 10 CECDRO Cc1noc(C)c1C[NH2+]Cc1cc(F)ccc1O ZINC000226586403 370347119 /nfs/dbraw/zinc/34/71/19/370347119.db2.gz UDIVMQVNYXLROJ-UHFFFAOYSA-N 1 0 250.273 2.426 20 10 CECDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1cc(F)ccc1O ZINC000226619415 370348553 /nfs/dbraw/zinc/34/85/53/370348553.db2.gz SYCVLKZGERPFSJ-UHFFFAOYSA-N 1 0 284.331 2.146 20 10 CECDRO CCC(CC)(CO)C[NH2+]Cc1cc(F)ccc1O ZINC000226617715 370349288 /nfs/dbraw/zinc/34/92/88/370349288.db2.gz QHCLOTREURCZNJ-UHFFFAOYSA-N 1 0 255.333 2.420 20 10 CECDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1O ZINC000226609357 370349310 /nfs/dbraw/zinc/34/93/10/370349310.db2.gz MHVVCAMFGAEVOU-LBPRGKRZSA-N 1 0 255.333 2.418 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000226646649 370349801 /nfs/dbraw/zinc/34/98/01/370349801.db2.gz YJJLDLGQHFUNJQ-SECBINFHSA-N 1 0 269.650 2.058 20 10 CECDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000230222225 370446957 /nfs/dbraw/zinc/44/69/57/370446957.db2.gz RUNZNESEMBBJPM-HNNXBMFYSA-N 1 0 250.386 2.393 20 10 CECDRO CCN(CCC[NH+](C)C)Cc1cc(F)ccc1O ZINC000233472746 370519107 /nfs/dbraw/zinc/51/91/07/370519107.db2.gz OAMWQHOCSQVWTI-UHFFFAOYSA-N 1 0 254.349 2.305 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000236533737 370590472 /nfs/dbraw/zinc/59/04/72/370590472.db2.gz DYGGNQYNPIVWDG-NXEZZACHSA-N 1 0 255.745 2.296 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000246783559 371010301 /nfs/dbraw/zinc/01/03/01/371010301.db2.gz QHLHAPBHPGJOGN-HZPDHXFCSA-N 1 0 292.448 2.459 20 10 CECDRO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccccc1O ZINC000248842807 371254254 /nfs/dbraw/zinc/25/42/54/371254254.db2.gz OLLPWFIICXHRQE-WHOFXGATSA-N 1 0 275.348 2.166 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249236654 371306017 /nfs/dbraw/zinc/30/60/17/371306017.db2.gz WCGCXCASASNFOC-OUCADQQQSA-N 1 0 251.301 2.188 20 10 CECDRO O=C(NCc1ccccc1O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269701730 372540810 /nfs/dbraw/zinc/54/08/10/372540810.db2.gz PRKADBRGZSDUFO-OAHLLOKOSA-N 1 0 288.391 2.415 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccccc1O ZINC000364354476 372736444 /nfs/dbraw/zinc/73/64/44/372736444.db2.gz OXZZLEKXNAPWTO-UXOAXIEHSA-N 1 0 288.391 2.442 20 10 CECDRO CCCOc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)c(O)c1 ZINC000270705278 372910819 /nfs/dbraw/zinc/91/08/19/372910819.db2.gz JOWNVJZBOCSOQQ-LLVKDONJSA-N 1 0 267.369 2.430 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c(O)c1 ZINC000367436856 373153853 /nfs/dbraw/zinc/15/38/53/373153853.db2.gz HMKREBBJDLCNFP-FABXCBLPSA-N 1 0 288.391 2.408 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1ccccc1O ZINC000367067887 373136675 /nfs/dbraw/zinc/13/66/75/373136675.db2.gz OWGQMUDJNLGYLR-NKFCBESUSA-N 1 0 274.364 2.100 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1 ZINC000271782149 373200050 /nfs/dbraw/zinc/20/00/50/373200050.db2.gz HVFRBLXQJKIEGN-YPMHNXCESA-N 1 0 265.353 2.136 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1 ZINC000271782144 373201782 /nfs/dbraw/zinc/20/17/82/373201782.db2.gz HVFRBLXQJKIEGN-DGCLKSJQSA-N 1 0 265.353 2.136 20 10 CECDRO CC(=O)N1CCN(Cc2cc(Cl)cc(C)c2O)[C@H](C)C1 ZINC000271817208 373204977 /nfs/dbraw/zinc/20/49/77/373204977.db2.gz MUHBQHNRDHYCHM-LLVKDONJSA-N 1 0 296.798 2.407 20 10 CECDRO CCCN(CC(=O)OCC)Cc1cccc(F)c1O ZINC000272323255 373429298 /nfs/dbraw/zinc/42/92/98/373429298.db2.gz UUKGXFFAPQURPN-UHFFFAOYSA-N 1 0 269.316 2.306 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)C(F)(F)F ZINC000272520638 373529572 /nfs/dbraw/zinc/52/95/72/373529572.db2.gz YFPDBPGHVAHJJS-KOLCDFICSA-N 1 0 281.249 2.323 20 10 CECDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc(F)ccc3O)[C@H]2C1 ZINC000272611756 373580212 /nfs/dbraw/zinc/58/02/12/373580212.db2.gz KMDFKDDCTRXLOP-FZMZJTMJSA-N 1 0 264.344 2.057 20 10 CECDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000272611754 373581135 /nfs/dbraw/zinc/58/11/35/373581135.db2.gz KMDFKDDCTRXLOP-BXUZGUMPSA-N 1 0 264.344 2.057 20 10 CECDRO COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273347921 373753374 /nfs/dbraw/zinc/75/33/74/373753374.db2.gz BBHLHQWMNUBPDS-QWHCGFSZSA-N 1 0 267.369 2.057 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)c(O)c1C ZINC000273379302 373753882 /nfs/dbraw/zinc/75/38/82/373753882.db2.gz HVOUXOVEEPISAC-UKRRQHHQSA-N 1 0 292.423 2.380 20 10 CECDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)OC ZINC000273392638 373754804 /nfs/dbraw/zinc/75/48/04/373754804.db2.gz DVWMDEMKMATAON-QWHCGFSZSA-N 1 0 267.369 2.321 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c(O)c1C ZINC000273418180 373755584 /nfs/dbraw/zinc/75/55/84/373755584.db2.gz RLJHUVCDEZGGNN-CABCVRRESA-N 1 0 292.423 2.116 20 10 CECDRO CCn1cnnc1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000371535813 373914739 /nfs/dbraw/zinc/91/47/39/373914739.db2.gz SHJNTZRBYAKSDJ-UHFFFAOYSA-N 1 0 286.379 2.383 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1ccccc1O ZINC000375301878 374650214 /nfs/dbraw/zinc/65/02/14/374650214.db2.gz HZDQZXIKTGVOCL-ZQIUZPCESA-N 1 0 288.391 2.490 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC12CCOCC2 ZINC000375733637 374673411 /nfs/dbraw/zinc/67/34/11/374673411.db2.gz UDKKUIYPDGHFFS-UHFFFAOYSA-N 1 0 251.301 2.286 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CC2([S@@](C)=O)CC2)c1O ZINC000281718699 375394763 /nfs/dbraw/zinc/39/47/63/375394763.db2.gz IIUBXBXWRUKTLY-GOSISDBHSA-N 1 0 287.812 2.355 20 10 CECDRO CC[C@@H]([NH2+][C@H](CO)CCOC)c1ccc(C)cc1O ZINC000281764877 375395880 /nfs/dbraw/zinc/39/58/80/375395880.db2.gz WOSIHVKHGAQDNI-GXTWGEPZSA-N 1 0 267.369 2.139 20 10 CECDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000281158303 375358956 /nfs/dbraw/zinc/35/89/56/375358956.db2.gz PMDNNDCCQPNDPF-HNNXBMFYSA-N 1 0 296.798 2.312 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)c(O)c1 ZINC000282187400 375423205 /nfs/dbraw/zinc/42/32/05/375423205.db2.gz GAUHKKWQJCDNPA-BBATYDOGSA-N 1 0 267.394 2.262 20 10 CECDRO COCCn1cc(C[NH2+]Cc2c(O)cccc2Cl)cn1 ZINC000282187903 375423770 /nfs/dbraw/zinc/42/37/70/375423770.db2.gz ZZYVTMGDTHAZDI-UHFFFAOYSA-N 1 0 295.770 2.178 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)C[NH+](C)C ZINC000282424782 375482194 /nfs/dbraw/zinc/48/21/94/375482194.db2.gz HAQKHVKTQVDLGX-UHFFFAOYSA-N 1 0 264.369 2.083 20 10 CECDRO CCCC[N@H+](CCC(=O)NC)Cc1ccccc1O ZINC000282486872 375496608 /nfs/dbraw/zinc/49/66/08/375496608.db2.gz PJLYLWPJLKWUCY-UHFFFAOYSA-N 1 0 264.369 2.130 20 10 CECDRO CCCC[N@H+](CC(=O)N1CCC1)Cc1ccccc1O ZINC000282511552 375503927 /nfs/dbraw/zinc/50/39/27/375503927.db2.gz SBKPFWCSRHPADN-UHFFFAOYSA-N 1 0 276.380 2.227 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)C(N)=O)c(O)c1 ZINC000284966590 375832657 /nfs/dbraw/zinc/83/26/57/375832657.db2.gz FQFGCPUSZSXNMF-NSHDSACASA-N 1 0 264.369 2.171 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c(O)c1 ZINC000284966587 375833407 /nfs/dbraw/zinc/83/34/07/375833407.db2.gz FQFGCPUSZSXNMF-LLVKDONJSA-N 1 0 264.369 2.171 20 10 CECDRO CC[C@@H](N[C@@H](C)c1ncn(C)n1)c1ccc(F)cc1O ZINC000287375835 376217861 /nfs/dbraw/zinc/21/78/61/376217861.db2.gz HZGHJHJULFOYJD-JOYOIKCWSA-N 1 0 278.331 2.462 20 10 CECDRO COc1cccc(C[NH2+]C[C@](C)(OC)C2CC2)c1O ZINC000291053180 377051153 /nfs/dbraw/zinc/05/11/53/377051153.db2.gz NOUGGVKPWJASQR-HNNXBMFYSA-N 1 0 265.353 2.306 20 10 CECDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293677666 377693584 /nfs/dbraw/zinc/69/35/84/377693584.db2.gz KDZAZHUYONOCTP-NWDGAFQWSA-N 1 0 264.369 2.184 20 10 CECDRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(N(C)C)cc1 ZINC000293720833 377723096 /nfs/dbraw/zinc/72/30/96/377723096.db2.gz NRKSRUQISBKJMU-ZDUSSCGKSA-N 1 0 287.411 2.165 20 10 CECDRO COC[C@H]1CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000293780068 377754846 /nfs/dbraw/zinc/75/48/46/377754846.db2.gz ZDERBXKDXDILCT-GFCCVEGCSA-N 1 0 252.333 2.112 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c(O)c1 ZINC000294450960 377989094 /nfs/dbraw/zinc/98/90/94/377989094.db2.gz VQBGGTMAUSDHGO-MJBXVCDLSA-N 1 0 279.380 2.200 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CCCO)c1 ZINC000294863034 378025602 /nfs/dbraw/zinc/02/56/02/378025602.db2.gz TZDRTLOOZMMCMP-RYUDHWBXSA-N 1 0 267.369 2.460 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[NH2+]C1CC1 ZINC000295336819 378110408 /nfs/dbraw/zinc/11/04/08/378110408.db2.gz ZWAPJEGEPDTEQF-LBPRGKRZSA-N 1 0 276.380 2.271 20 10 CECDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296371181 378507694 /nfs/dbraw/zinc/50/76/94/378507694.db2.gz JYGQPJGTUMPPDL-AWEZNQCLSA-N 1 0 289.423 2.291 20 10 CECDRO COc1ccc(O)c([C@H](C)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000530214227 380197444 /nfs/dbraw/zinc/19/74/44/380197444.db2.gz CKXUUNZAUCCEMF-NHYWBVRUSA-N 1 0 276.380 2.336 20 10 CECDRO CN(C)c1ccc(CNc2ncnc(N)c2Cl)cc1 ZINC000302036872 394470726 /nfs/dbraw/zinc/47/07/26/394470726.db2.gz FVMHREKQJKNYOQ-UHFFFAOYSA-N 1 0 277.759 2.390 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1C ZINC000093808728 394669329 /nfs/dbraw/zinc/66/93/29/394669329.db2.gz DGNBEWPHNCPOQP-CYBMUJFWSA-N 1 0 276.380 2.096 20 10 CECDRO CN(CC(=O)c1cccn1C)Cc1ccccc1O ZINC000109773549 394735025 /nfs/dbraw/zinc/73/50/25/394735025.db2.gz BIFACAOODKMXGG-UHFFFAOYSA-N 1 0 258.321 2.045 20 10 CECDRO CCNC(=O)C(C)(C)C[NH2+]Cc1c(O)cccc1Cl ZINC000120930047 394787739 /nfs/dbraw/zinc/78/77/39/394787739.db2.gz WECQRASCKJFWSU-UHFFFAOYSA-N 1 0 284.787 2.298 20 10 CECDRO CC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccccc1O ZINC000121939872 394806255 /nfs/dbraw/zinc/80/62/55/394806255.db2.gz APXWNDPNLGESII-KOLCDFICSA-N 1 0 263.259 2.356 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC000121966458 394807334 /nfs/dbraw/zinc/80/73/34/394807334.db2.gz DJRGUVSCARVRFB-UHFFFAOYSA-N 1 0 297.402 2.413 20 10 CECDRO CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000282367585 394918168 /nfs/dbraw/zinc/91/81/68/394918168.db2.gz QCINKKGMFFALDE-PWSUYJOCSA-N 1 0 279.336 2.120 20 10 CECDRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(N(C)C)cc1 ZINC000287402319 395040646 /nfs/dbraw/zinc/04/06/46/395040646.db2.gz QZUPVYHSTRLKRX-CYBMUJFWSA-N 1 0 280.412 2.191 20 10 CECDRO O=C1NC[C@]2(CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000372689035 395045066 /nfs/dbraw/zinc/04/50/66/395045066.db2.gz JIGRJSFZWWUZFU-AWEZNQCLSA-N 1 0 296.754 2.120 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C(C)(C)O ZINC000293731406 395249039 /nfs/dbraw/zinc/24/90/39/395249039.db2.gz UWGRYJPWUFKTQL-AWEZNQCLSA-N 1 0 283.368 2.049 20 10 CECDRO COCC1(O)CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293790293 395252106 /nfs/dbraw/zinc/25/21/06/395252106.db2.gz MLKPDKFQNCVVFU-UHFFFAOYSA-N 1 0 292.423 2.034 20 10 CECDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCOCC1 ZINC000183395170 395256098 /nfs/dbraw/zinc/25/60/98/395256098.db2.gz NVQMOTGOVJXQCD-HOCLYGCPSA-N 1 0 292.423 2.400 20 10 CECDRO CC(C)NC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298747280 395363282 /nfs/dbraw/zinc/36/32/82/395363282.db2.gz ZUADSMGHOQWAFP-UHFFFAOYSA-N 1 0 289.423 2.242 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@](C)(CCO)COC)cc1 ZINC000175855142 400288600 /nfs/dbraw/zinc/28/86/00/400288600.db2.gz ZOTGGUFHGCKUKK-QGZVFWFLSA-N 1 0 294.439 2.410 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3CCCCN3C[C@H]2C)c1 ZINC000211282997 400303722 /nfs/dbraw/zinc/30/37/22/400303722.db2.gz OFIFKXZWESHERD-UKRRQHHQSA-N 1 0 290.407 2.459 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N(C)C)c1 ZINC000038088601 174101616 /nfs/dbraw/zinc/10/16/16/174101616.db2.gz DAXLOCSNWZXRGZ-QWRGUYRKSA-N 1 0 252.358 2.002 20 10 CECDRO COCCOCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296080882 292577423 /nfs/dbraw/zinc/57/74/23/292577423.db2.gz SNLXEEHYUDXIDZ-CYBMUJFWSA-N 1 0 265.353 2.022 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)c1cc(F)ccc1O ZINC000367177469 227052413 /nfs/dbraw/zinc/05/24/13/227052413.db2.gz ALOXNNZVIFVWAT-ZLKJLUDKSA-N 1 0 292.354 2.335 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1O ZINC000093418098 260275871 /nfs/dbraw/zinc/27/58/71/260275871.db2.gz ZXYYXRRXVCHLMX-RYUDHWBXSA-N 1 0 265.353 2.400 20 10 CECDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000155585757 261103801 /nfs/dbraw/zinc/10/38/01/261103801.db2.gz SIMBVBVFXSYUHD-LBPRGKRZSA-N 1 0 296.798 2.394 20 10 CECDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000155585837 261104091 /nfs/dbraw/zinc/10/40/91/261104091.db2.gz SIMBVBVFXSYUHD-GFCCVEGCSA-N 1 0 296.798 2.394 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160925851 261231431 /nfs/dbraw/zinc/23/14/31/261231431.db2.gz VYCFPYCSIHCVQG-ZDUSSCGKSA-N 1 0 277.412 2.318 20 10 CECDRO C[C@H](C[NH2+]Cc1cc(Br)ccc1O)N(C)C ZINC000163889068 261333841 /nfs/dbraw/zinc/33/38/41/261333841.db2.gz PPNSKYLRDJPJBO-SECBINFHSA-N 1 0 287.201 2.194 20 10 CECDRO C[C@H]([NH2+]CC1(C)COC1)c1ccc(N2CCOCC2)cc1 ZINC000164351233 261348509 /nfs/dbraw/zinc/34/85/09/261348509.db2.gz LRWIVDXNWKHCQI-AWEZNQCLSA-N 1 0 290.407 2.210 20 10 CECDRO COc1cccc(C[NH2+]Cc2cncs2)c1O ZINC000168972796 261427233 /nfs/dbraw/zinc/42/72/33/261427233.db2.gz YUJNATCPBVXVHD-UHFFFAOYSA-N 1 0 250.323 2.147 20 10 CECDRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cc(F)ccc1O ZINC000184917446 262033197 /nfs/dbraw/zinc/03/31/97/262033197.db2.gz IYEXQCBQQAEULH-SNVBAGLBSA-N 1 0 292.310 2.205 20 10 CECDRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1cc(Cl)ccc1O ZINC000186149509 262081656 /nfs/dbraw/zinc/08/16/56/262081656.db2.gz GFRRXTBQPLNNRE-NSHDSACASA-N 1 0 299.798 2.485 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185467721 262305294 /nfs/dbraw/zinc/30/52/94/262305294.db2.gz QNZIWECOGNTLQQ-WFASDCNBSA-N 1 0 267.369 2.139 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1C ZINC000363264243 267082784 /nfs/dbraw/zinc/08/27/84/267082784.db2.gz KHQJIEBPCGZFHH-NWANDNLSSA-N 1 0 288.391 2.108 20 10 CECDRO O=C1NC[C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CC[C@H]12 ZINC000368214842 267152801 /nfs/dbraw/zinc/15/28/01/267152801.db2.gz HIXONSZFGZNYKW-HIFRSBDPSA-N 1 0 296.370 2.113 20 10 CECDRO CC(C)[C@H](O)C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368393577 267168377 /nfs/dbraw/zinc/16/83/77/267168377.db2.gz PKGGYNNATUHNNI-QGZVFWFLSA-N 1 0 274.408 2.469 20 10 CECDRO CN(C)c1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1 ZINC000369378076 267239021 /nfs/dbraw/zinc/23/90/21/267239021.db2.gz PPNLGYJXKFWRHI-UHFFFAOYSA-N 1 0 296.414 2.372 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1O ZINC000371310498 267386674 /nfs/dbraw/zinc/38/66/74/267386674.db2.gz LIQCONOOWRFZQO-JSGCOSHPSA-N 1 0 277.364 2.259 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@@H]1OC ZINC000272683493 276353013 /nfs/dbraw/zinc/35/30/13/276353013.db2.gz TWIOIYQQONZKDW-IMJJTQAJSA-N 1 0 296.386 2.174 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@H](O)C(F)F ZINC000296493887 276590344 /nfs/dbraw/zinc/59/03/44/276590344.db2.gz OTRCHNQAGJIQCN-OPQQBVKSSA-N 1 0 271.307 2.374 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(C)cc1O ZINC000280054239 288057400 /nfs/dbraw/zinc/05/74/00/288057400.db2.gz JTNGOXHZLIKEGC-AAEUAGOBSA-N 1 0 264.369 2.218 20 10 CECDRO CC[C@H]([NH2+][C@@H](CCO)COC)c1ccc(N(C)C)cc1 ZINC000269048542 288063378 /nfs/dbraw/zinc/06/33/78/288063378.db2.gz WYAHFYQIAKKAJD-HOCLYGCPSA-N 1 0 280.412 2.191 20 10 CECDRO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000269056275 298932036 /nfs/dbraw/zinc/93/20/36/298932036.db2.gz WUQBDPZFDWTDLT-OLZOCXBDSA-N 1 0 273.384 2.083 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccccc1O)[C@@H](O)C(F)(F)F ZINC000270973772 328194352 /nfs/dbraw/zinc/19/43/52/328194352.db2.gz KHRBLDQIFGBKJI-MWLCHTKSSA-N 1 0 263.259 2.184 20 10 CECDRO CCC[C@]1([NH2+]Cc2cc(OC)c(OC)cc2O)CCOC1 ZINC000289947682 328257035 /nfs/dbraw/zinc/25/70/35/328257035.db2.gz 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/nfs/dbraw/zinc/36/98/29/329369829.db2.gz WCGCXCASASNFOC-BZPMIXESSA-N 1 0 251.301 2.188 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1O ZINC000249778802 329910168 /nfs/dbraw/zinc/91/01/68/329910168.db2.gz KXVLDTDJDGXJJF-SCRDCRAPSA-N 1 0 263.337 2.058 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1O ZINC000270835116 333155853 /nfs/dbraw/zinc/15/58/53/333155853.db2.gz DDYJJRNICYVRPI-YGRLFVJLSA-N 1 0 297.782 2.451 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cn[nH]c1 ZINC000229884992 333310749 /nfs/dbraw/zinc/31/07/49/333310749.db2.gz VYYXJJINMJNZIN-ZDUSSCGKSA-N 1 0 286.379 2.097 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@](C)(OC)C2)c1O ZINC000230300019 333316048 /nfs/dbraw/zinc/31/60/48/333316048.db2.gz WTJLJSYQTNFWQI-HNNXBMFYSA-N 1 0 265.353 2.402 20 10 CECDRO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000230658861 333319788 /nfs/dbraw/zinc/31/97/88/333319788.db2.gz AFNPACMXWDRCHT-NSHDSACASA-N 1 0 260.341 2.163 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](CCO)C(C)C)c1O ZINC000230690044 333321046 /nfs/dbraw/zinc/32/10/46/333321046.db2.gz GSLXKRGLANRWEV-CYBMUJFWSA-N 1 0 267.369 2.288 20 10 CECDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NC(C)(C)C ZINC000135719374 334137058 /nfs/dbraw/zinc/13/70/58/334137058.db2.gz XDACWZXBIDJVTG-GHMZBOCLSA-N 1 0 264.369 2.346 20 10 CECDRO CCOC1CC(O)(C[NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000278504521 521653303 /nfs/dbraw/zinc/65/33/03/521653303.db2.gz QVIAWUILARNEKL-CKQAKLJMSA-N 1 0 283.343 2.112 20 10 CECDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000290158710 519828388 /nfs/dbraw/zinc/82/83/88/519828388.db2.gz LTMAFXWMRVIMGF-HZPDHXFCSA-N 1 0 289.423 2.003 20 10 CECDRO CCOCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000072952751 519911043 /nfs/dbraw/zinc/91/10/43/519911043.db2.gz YXMMQCPYXJWQGB-HNNXBMFYSA-N 1 0 279.380 2.410 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000071300473 520905414 /nfs/dbraw/zinc/90/54/14/520905414.db2.gz QEEFMXSHGLFURR-INIZCTEOSA-N 1 0 262.397 2.393 20 10 CECDRO CC[N@H+](CCNC(=O)N(C)Cc1ccccc1O)C1CC1 ZINC000102066473 521055140 /nfs/dbraw/zinc/05/51/40/521055140.db2.gz PGVLNEOLUSAIJS-UHFFFAOYSA-N 1 0 291.395 2.018 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@](C)(O)c2ccco2)c1 ZINC000266165102 521150535 /nfs/dbraw/zinc/15/05/35/521150535.db2.gz PBWVOMOAGWKXFB-INIZCTEOSA-N 1 0 291.347 2.381 20 10 CECDRO CCOc1cccc(C[NH2+]C(CC)(CC)CO)c1O ZINC000053047076 521360425 /nfs/dbraw/zinc/36/04/25/521360425.db2.gz LRHDXRPNABEURF-UHFFFAOYSA-N 1 0 267.369 2.432 20 10 CECDRO CCCN(Cc1nccn1C)c1ccc(C[NH3+])cc1 ZINC000278413431 521694618 /nfs/dbraw/zinc/69/46/18/521694618.db2.gz QJYHRNYQFZFHPH-UHFFFAOYSA-N 1 0 258.369 2.295 20 10 CECDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280282061 521743752 /nfs/dbraw/zinc/74/37/52/521743752.db2.gz YOIBUOJHZHJGIK-YPMHNXCESA-N 1 0 264.369 2.266 20 10 CECDRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(N(C)C)cc1 ZINC000278890242 522625584 /nfs/dbraw/zinc/62/55/84/522625584.db2.gz TXZCBNJFWJLRSZ-JQFCIGGWSA-N 1 0 292.423 2.333 20 10 CECDRO CC[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(C)cc1O ZINC000280888534 522628298 /nfs/dbraw/zinc/62/82/98/522628298.db2.gz OVYRROWTAUOJKB-LZWOXQAQSA-N 1 0 293.407 2.386 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccccc1O ZINC000084063233 522750279 /nfs/dbraw/zinc/75/02/79/522750279.db2.gz CKFZPAOQMBPRSH-AAEUAGOBSA-N 1 0 262.353 2.054 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(C)cc1O ZINC000279990242 522750835 /nfs/dbraw/zinc/75/08/35/522750835.db2.gz FGUZHFRIMZETNF-KBPBESRZSA-N 1 0 276.380 2.410 20 10 CECDRO COc1cc(O)c(C[NH2+]C2CC(F)(F)C2)cc1OC ZINC000277287089 522776248 /nfs/dbraw/zinc/77/62/48/522776248.db2.gz AKCGPQONYPHDHD-UHFFFAOYSA-N 1 0 273.279 2.297 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H](CO)CC2CCC2)cc1OC ZINC000279953015 522780685 /nfs/dbraw/zinc/78/06/85/522780685.db2.gz ZSGYJGCZTHALFE-ZDUSSCGKSA-N 1 0 295.379 2.050 20 10 CECDRO CC[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(C)cc1O ZINC000280272605 522825990 /nfs/dbraw/zinc/82/59/90/522825990.db2.gz YAMOBBPEIGBZOE-MRXNPFEDSA-N 1 0 292.423 2.464 20 10 CECDRO CC[C@@H]([NH2+]Cc1nncn1C)c1ccc(C)cc1O ZINC000280276090 522898664 /nfs/dbraw/zinc/89/86/64/522898664.db2.gz YDGMHJMEPVKZCV-GFCCVEGCSA-N 1 0 260.341 2.070 20 10 CECDRO COCC[NH+](CCOC)Cc1ccc(N(C)C)c(C)c1 ZINC000293347840 523719711 /nfs/dbraw/zinc/71/97/11/523719711.db2.gz DMHSDGKUODDPDR-UHFFFAOYSA-N 1 0 280.412 2.156 20 10 CECDRO Cc1cccc(C[NH+]2CC(C(=O)OC(C)(C)C)C2)c1O ZINC000297419246 524387707 /nfs/dbraw/zinc/38/77/07/524387707.db2.gz MGJGKBUFUHKLRI-UHFFFAOYSA-N 1 0 277.364 2.474 20 10 CECDRO Cc1cccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1O ZINC000367698793 524404228 /nfs/dbraw/zinc/40/42/28/524404228.db2.gz FYVWODZFXFPZIH-CQSZACIVSA-N 1 0 271.364 2.424 20 10 CECDRO Cc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2)c1O ZINC000289894637 524433566 /nfs/dbraw/zinc/43/35/66/524433566.db2.gz TWXCHVZZUIVEHA-MRXNPFEDSA-N 1 0 271.360 2.394 20 10 CECDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000289577776 524726269 /nfs/dbraw/zinc/72/62/69/524726269.db2.gz JUQFGTWXFJHZKC-WDEREUQCSA-N 1 0 253.317 2.294 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1 ZINC000280467210 524744906 /nfs/dbraw/zinc/74/49/06/524744906.db2.gz CINXODORQOFUPV-BDJLRTHQSA-N 1 0 277.364 2.400 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](CO)c2ccccc2)c1 ZINC000062999662 524754598 /nfs/dbraw/zinc/75/45/98/524754598.db2.gz UNVHTYNLWOTNTQ-OAHLLOKOSA-N 1 0 273.332 2.224 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](c2nncn2C)C(C)C)c1 ZINC000289644266 524754661 /nfs/dbraw/zinc/75/46/61/524754661.db2.gz XRAYXTAEBCXZHB-AWEZNQCLSA-N 1 0 290.367 2.016 20 10 CECDRO Cc1cc(C[NH2+]Cc2ccccc2O)nc(N2CCCC2)n1 ZINC000292882728 524761844 /nfs/dbraw/zinc/76/18/44/524761844.db2.gz XYRZQQYKGIPBBJ-UHFFFAOYSA-N 1 0 298.390 2.381 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000037155339 524772988 /nfs/dbraw/zinc/77/29/88/524772988.db2.gz PYSBDYJKCMVGAY-RYUDHWBXSA-N 1 0 275.352 2.337 20 10 CECDRO C[C@@H]1CN(CCC[NH2+]Cc2cc(F)ccc2O)CCCO1 ZINC000277646513 524950266 /nfs/dbraw/zinc/95/02/66/524950266.db2.gz YUSNJEXUKGOGHP-CYBMUJFWSA-N 1 0 296.386 2.122 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)CN2CCOCC2)cc1C ZINC000278616964 525312244 /nfs/dbraw/zinc/31/22/44/525312244.db2.gz DTHFSPGDEZQGGJ-HNNXBMFYSA-N 1 0 292.423 2.162 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000276744869 525362269 /nfs/dbraw/zinc/36/22/69/525362269.db2.gz ZODMBLMAHMAOOH-MNOVXSKESA-N 1 0 260.341 2.241 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cnn(C)c2)c1 ZINC000128119860 525363536 /nfs/dbraw/zinc/36/35/36/525363536.db2.gz WNVYOIFFEFVXDG-LBPRGKRZSA-N 1 0 259.353 2.327 20 10 CECDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000161835868 525430496 /nfs/dbraw/zinc/43/04/96/525430496.db2.gz WRDHTWHOARHVDD-CYBMUJFWSA-N 1 0 277.412 2.272 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(F)ccc1O ZINC000297368739 525677821 /nfs/dbraw/zinc/67/78/21/525677821.db2.gz QJWOIDKDPUYRDD-OCCSQVGLSA-N 1 0 296.386 2.029 20 10 CECDRO C[C@H](O)CC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000127666920 525721715 /nfs/dbraw/zinc/72/17/15/525721715.db2.gz XBBRVLDMGLQARD-NSHDSACASA-N 1 0 254.349 2.094 20 10 CECDRO COc1cccc(C[NH2+]Cc2cnn(C(C)C)c2)c1O ZINC000265035925 526027420 /nfs/dbraw/zinc/02/74/20/526027420.db2.gz HFXPZYWCPLNYPT-UHFFFAOYSA-N 1 0 275.352 2.468 20 10 CECDRO COc1cccc(C[NH2+][C@@H](CO)Cc2ccccc2)c1O ZINC000063218262 526032122 /nfs/dbraw/zinc/03/21/22/526032122.db2.gz KLTPEWAMGLCSOO-OAHLLOKOSA-N 1 0 287.359 2.094 20 10 CECDRO COc1cccc(C[NH2+][C@H](CO)Cc2ccccc2)c1O ZINC000063218261 526036138 /nfs/dbraw/zinc/03/61/38/526036138.db2.gz KLTPEWAMGLCSOO-HNNXBMFYSA-N 1 0 287.359 2.094 20 10 CECDRO COc1cccc(C[NH2+][C@H](CO)CC2CCC2)c1O ZINC000279851477 526037576 /nfs/dbraw/zinc/03/75/76/526037576.db2.gz RUDLQMRDEUGFOC-ZDUSSCGKSA-N 1 0 265.353 2.042 20 10 CECDRO Cc1nnc(CC[NH2+][C@H](C)c2ccccc2O)s1 ZINC000289897287 526329054 /nfs/dbraw/zinc/32/90/54/526329054.db2.gz SXNGXHARGJZSBX-SECBINFHSA-N 1 0 263.366 2.445 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CCCOCC1CC1)OCO2 ZINC000042879555 526336716 /nfs/dbraw/zinc/33/67/16/526336716.db2.gz SXRIWNVNWONMHR-UHFFFAOYSA-N 1 0 279.336 2.027 20 10 CECDRO Oc1ccccc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000277486535 526372178 /nfs/dbraw/zinc/37/21/78/526372178.db2.gz NEXFAOQYUXNIDR-UHFFFAOYSA-N 1 0 281.249 2.399 20 10 CECDRO OCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000189985597 527565845 /nfs/dbraw/zinc/56/58/45/527565845.db2.gz VYIHFUHXRYLIHP-DZGCQCFKSA-N 1 0 261.365 2.262 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[NH+](C)C ZINC000750021317 575244303 /nfs/dbraw/zinc/24/43/03/575244303.db2.gz FTYVKLUFAHMGGW-LBPRGKRZSA-N 1 0 264.369 2.081 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000732287665 574618134 /nfs/dbraw/zinc/61/81/34/574618134.db2.gz ZKHPNKYEMJUOML-BXUZGUMPSA-N 1 0 292.379 2.062 20 10 CECDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732279502 574617490 /nfs/dbraw/zinc/61/74/90/574617490.db2.gz RIXNLFRKVSSQCM-UHFFFAOYSA-N 1 0 282.409 2.400 20 10 CECDRO O=C(C[NH2+]Cc1c(O)cccc1Cl)NCc1ccco1 ZINC000733324328 574663940 /nfs/dbraw/zinc/66/39/40/574663940.db2.gz PPGYEOZXAHJZFI-UHFFFAOYSA-N 1 0 294.738 2.045 20 10 CECDRO O=C(C1=CC(=O)CS1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000733806343 574687268 /nfs/dbraw/zinc/68/72/68/574687268.db2.gz ZGVZHPVXMJWJGG-LLVKDONJSA-N 1 0 280.393 2.154 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000734005141 574696978 /nfs/dbraw/zinc/69/69/78/574696978.db2.gz XMQTUSKADZAKMP-QGZVFWFLSA-N 1 0 287.359 2.398 20 10 CECDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1=CC(=O)CS1 ZINC000743718244 575109226 /nfs/dbraw/zinc/10/92/26/575109226.db2.gz MADJPWZLGCKFSM-LLVKDONJSA-N 1 0 282.409 2.400 20 10 CECDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000746409918 575155926 /nfs/dbraw/zinc/15/59/26/575155926.db2.gz SVLQGVBVZYJADJ-GFCCVEGCSA-N 1 0 294.420 2.258 20 10 CECDRO C[C@@H](NC(=O)C1=CC(=O)CS1)C(C)(C)C[NH+](C)C ZINC000748328043 575183361 /nfs/dbraw/zinc/18/33/61/575183361.db2.gz XVMQAYYQHHSFPM-SECBINFHSA-N 1 0 270.398 2.160 20 10 CECDRO CCOc1ccc(C[NH2+]C2(C)CCOCC2)c(O)c1 ZINC000752101031 575305415 /nfs/dbraw/zinc/30/54/15/575305415.db2.gz QGJDLORQRMKWDI-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000753374247 575324916 /nfs/dbraw/zinc/32/49/16/575324916.db2.gz RMNXYMPLMLASPT-KBPBESRZSA-N 1 0 265.353 2.304 20 10 CECDRO Oc1ccccc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000813333026 623156467 /nfs/dbraw/zinc/15/64/67/623156467.db2.gz IFPDTIINZSUGEF-AWEZNQCLSA-N 1 0 251.326 2.025 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C(F)F)C2)cc1C ZINC001021757918 623461750 /nfs/dbraw/zinc/46/17/50/623461750.db2.gz FOCULCFBLPKTOU-TXEJJXNPSA-N 1 0 298.333 2.006 20 10 CECDRO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000933215271 623539771 /nfs/dbraw/zinc/53/97/71/623539771.db2.gz AZBLZOFPSAKLBU-OAHLLOKOSA-N 1 0 289.423 2.162 20 10 CECDRO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891475490 623734349 /nfs/dbraw/zinc/73/43/49/623734349.db2.gz GLXYSRKSSRENTE-YPMHNXCESA-N 1 0 295.379 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COc1cc(C)cc(C[NH2+]C[C@@H](OC)C(F)(F)F)c1O ZINC000894251821 629260047 /nfs/dbraw/zinc/26/00/47/629260047.db2.gz QFKLCBJNILMZKY-LLVKDONJSA-N 1 0 293.285 2.376 20 10 CECDRO COc1cc(C)cc(C[NH+]2CCC(C)(CO)CC2)c1O ZINC000894469029 629479636 /nfs/dbraw/zinc/47/96/36/629479636.db2.gz IFFZDYLHYLZTSL-UHFFFAOYSA-N 1 0 279.380 2.304 20 10 CECDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)c(O)c1OC ZINC000894627536 629562048 /nfs/dbraw/zinc/56/20/48/629562048.db2.gz IXBKSJXYWAJFLY-ZJUUUORDSA-N 1 0 251.326 2.250 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c(O)c1OC ZINC000894647513 629573260 /nfs/dbraw/zinc/57/32/60/629573260.db2.gz CSTRNAUUNAPQBV-GFCCVEGCSA-N 1 0 295.379 2.004 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c(O)c1OC ZINC000894909441 629750576 /nfs/dbraw/zinc/75/05/76/629750576.db2.gz COLFSYFEVYAPOW-MDZLAQPJSA-N 1 0 295.379 2.313 20 10 CECDRO CC[C@H](C)[N@H+](CCO)Cc1cc(C)cc(OC)c1O ZINC000894920629 629754267 /nfs/dbraw/zinc/75/42/67/629754267.db2.gz YPUAMEXJUYXYOR-LBPRGKRZSA-N 1 0 267.369 2.302 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c(O)c1OC ZINC000894941072 629766079 /nfs/dbraw/zinc/76/60/79/629766079.db2.gz YQQWYHKTMDFPPF-DGCLKSJQSA-N 1 0 295.379 2.002 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c(O)c1OC ZINC000894941071 629766223 /nfs/dbraw/zinc/76/62/23/629766223.db2.gz YQQWYHKTMDFPPF-AAEUAGOBSA-N 1 0 295.379 2.002 20 10 CECDRO COc1cccc(C[NH2+][C@@H](c2nccn2C)C2CC2)c1O ZINC000796465618 629914798 /nfs/dbraw/zinc/91/47/98/629914798.db2.gz LXTLLXZXLCOOAH-CQSZACIVSA-N 1 0 287.363 2.375 20 10 CECDRO Cc1cc(O)c(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)cc1C ZINC000895117744 629917687 /nfs/dbraw/zinc/91/76/87/629917687.db2.gz WAYHFRCQWAUNNZ-FRRDWIJNSA-N 1 0 276.380 2.106 20 10 CECDRO CC[C@@H](C[NH2+]Cc1c(O)cccc1Cl)C(=O)OC ZINC000895122623 629925495 /nfs/dbraw/zinc/92/54/95/629925495.db2.gz OFQFMXDVPMERSW-VIFPVBQESA-N 1 0 271.744 2.334 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c(O)c1OC ZINC000895434756 630183209 /nfs/dbraw/zinc/18/32/09/630183209.db2.gz UOMNWSKOQPSFLP-PTEHBNRSSA-N 1 0 263.337 2.298 20 10 CECDRO COC(=O)[C@H]1[C@H](C[NH2+][C@@H](C)c2ccccc2O)C1(F)F ZINC000895460065 630202243 /nfs/dbraw/zinc/20/22/43/630202243.db2.gz ITSWAJXVJGFKED-PTOFAABTSA-N 1 0 285.290 2.097 20 10 CECDRO Oc1cccc(Cl)c1C[NH+]1CCC2(CC1)COCCO2 ZINC000895696551 630309012 /nfs/dbraw/zinc/30/90/12/630309012.db2.gz VAVCSCGBLDIXFR-UHFFFAOYSA-N 1 0 297.782 2.427 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)Cc1ccccc1F ZINC000895749925 630329072 /nfs/dbraw/zinc/32/90/72/630329072.db2.gz VMQBBVJJLKHRQU-CQSZACIVSA-N 1 0 293.313 2.364 20 10 CECDRO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2O)C1 ZINC000895845850 630363085 /nfs/dbraw/zinc/36/30/85/630363085.db2.gz PHIQCQUPDHJFNP-GFCCVEGCSA-N 1 0 275.270 2.139 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2O)[C@H]1OC ZINC000895851974 630376318 /nfs/dbraw/zinc/37/63/18/630376318.db2.gz LXDPXNDOBLEKBS-OBCWZRDOSA-N 1 0 265.353 2.235 20 10 CECDRO COc1cccc(C[N@@H+]2CC(C)(C)CC[C@H]2CO)c1O ZINC000895926132 630406264 /nfs/dbraw/zinc/40/62/64/630406264.db2.gz WZRMOSXOIVDVCC-ZDUSSCGKSA-N 1 0 279.380 2.384 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@@H](OC)CC[C@@H]2C)cc1OC ZINC000895928767 630407875 /nfs/dbraw/zinc/40/78/75/630407875.db2.gz UZIRJXWAZLVCEM-AAEUAGOBSA-N 1 0 295.379 2.409 20 10 CECDRO C[C@@]1([C@H]2CCC[N@H+](Cc3ccccc3O)C2)COC(=O)N1 ZINC000896397028 630552656 /nfs/dbraw/zinc/55/26/56/630552656.db2.gz ULMKPOOOAGFNJA-BBRMVZONSA-N 1 0 290.363 2.103 20 10 CECDRO CN1CC[C@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000896595427 630608688 /nfs/dbraw/zinc/60/86/88/630608688.db2.gz RMSUNXHXVQXVOE-AWEZNQCLSA-N 1 0 256.349 2.339 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000896855018 630693553 /nfs/dbraw/zinc/69/35/53/630693553.db2.gz POHYXTWVNKXKGC-SUHUHFCYSA-N 1 0 263.312 2.212 20 10 CECDRO COc1cccc(O)c1C[NH2+]Cc1ccnc(C)c1 ZINC000824597839 635459638 /nfs/dbraw/zinc/45/96/38/635459638.db2.gz XSNNXJWCIKLWDF-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928712153 631130405 /nfs/dbraw/zinc/13/04/05/631130405.db2.gz ZUBAIQUHURMOKF-GFCCVEGCSA-N 1 0 294.370 2.270 20 10 CECDRO CCCC[N@H+](CC(=O)N(C)OC)Cc1ccccc1O ZINC000801595111 631296470 /nfs/dbraw/zinc/29/64/70/631296470.db2.gz IFXIFHOGSGKFFZ-UHFFFAOYSA-N 1 0 280.368 2.014 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(C)=O)C2)cc1C ZINC000987645266 631437676 /nfs/dbraw/zinc/43/76/76/631437676.db2.gz OIKKODDYMLCVAJ-IUODEOHRSA-N 1 0 276.380 2.103 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000897511721 631603089 /nfs/dbraw/zinc/60/30/89/631603089.db2.gz PCICEUHYYRPTOQ-DOMZBBRYSA-N 1 0 277.364 2.448 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c1 ZINC000897536151 631686706 /nfs/dbraw/zinc/68/67/06/631686706.db2.gz IRWBEMSMYQEQEM-WFASDCNBSA-N 1 0 279.380 2.432 20 10 CECDRO OC1CC2(C[C@H]2[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000897841613 631939945 /nfs/dbraw/zinc/93/99/45/631939945.db2.gz OUVBDGZANDKCSM-OGVSOVDVSA-N 1 0 259.349 2.015 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC23CC(O)C3)cc1 ZINC000897843946 631941054 /nfs/dbraw/zinc/94/10/54/631941054.db2.gz KBXHXAWYORUKFS-DOPNRYRRSA-N 1 0 272.392 2.269 20 10 CECDRO OC[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)c1cccnc1 ZINC000808430453 631962428 /nfs/dbraw/zinc/96/24/28/631962428.db2.gz GQOYENNQIHIUAA-CYBMUJFWSA-N 1 0 292.766 2.306 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)c2cccnc2)cc1 ZINC000808430146 631962543 /nfs/dbraw/zinc/96/25/43/631962543.db2.gz CMJUDDAYDWFPGX-MRXNPFEDSA-N 1 0 285.391 2.013 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808714019 632004491 /nfs/dbraw/zinc/00/44/91/632004491.db2.gz LMJDUDYRHSLLJD-JTQLQIEISA-N 1 0 284.787 2.483 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCN1CCC(C)(C)C1 ZINC000898035506 632030473 /nfs/dbraw/zinc/03/04/73/632030473.db2.gz SHJSCVABPSPXLY-UHFFFAOYSA-N 1 0 278.396 2.222 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](CF)C2)c1 ZINC000840170880 632080609 /nfs/dbraw/zinc/08/06/09/632080609.db2.gz 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/nfs/dbraw/zinc/18/77/01/632187701.db2.gz URNIEGZYSGAMJR-UHFFFAOYSA-N 1 0 258.369 2.382 20 10 CECDRO CC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000040855914 632358390 /nfs/dbraw/zinc/35/83/90/632358390.db2.gz LQTPVDCOTBIFSM-MRXNPFEDSA-N 1 0 289.423 2.373 20 10 CECDRO CCO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)CN(C)C ZINC000926963938 632391280 /nfs/dbraw/zinc/39/12/80/632391280.db2.gz WASSBOXMFXKRAH-ZIAGYGMSSA-N 1 0 280.412 2.318 20 10 CECDRO CCOc1ccc(CN[C@@H]2CCC[NH2+][C@@H]2C)c(O)c1 ZINC000841066232 632424840 /nfs/dbraw/zinc/42/48/40/632424840.db2.gz YNNFRMSEQBRDNT-BXUZGUMPSA-N 1 0 264.369 2.021 20 10 CECDRO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](C)OC ZINC000812808776 632587888 /nfs/dbraw/zinc/58/78/88/632587888.db2.gz LSFDUPQGDOKYFT-HNNXBMFYSA-N 1 0 292.423 2.380 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1n1cccn1 ZINC000815167179 632975645 /nfs/dbraw/zinc/97/56/45/632975645.db2.gz TVDIMSRGWZABCW-BMFZPTHFSA-N 1 0 287.363 2.097 20 10 CECDRO 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ZINC000817952540 633797733 /nfs/dbraw/zinc/79/77/33/633797733.db2.gz RMZBOPIPBXVTON-MWLCHTKSSA-N 1 0 254.761 2.448 20 10 CECDRO CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1[O-] ZINC000817964773 633806005 /nfs/dbraw/zinc/80/60/05/633806005.db2.gz IFEHIAOLLPUVJF-GFCCVEGCSA-N 1 0 252.333 2.453 20 10 CECDRO C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817965792 633808428 /nfs/dbraw/zinc/80/84/28/633808428.db2.gz CISCEAJOBLOGJQ-IAQYHMDHSA-N 1 0 293.367 2.341 20 10 CECDRO C[C@H](NC[C@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1O ZINC000817981695 633825089 /nfs/dbraw/zinc/82/50/89/633825089.db2.gz MSAISSXMQUJVDJ-CMPLNLGQSA-N 1 0 284.787 2.075 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c1 ZINC000817996430 633829976 /nfs/dbraw/zinc/82/99/76/633829976.db2.gz FFTIYWKOCAIGRS-ZIBATOQPSA-N 1 0 294.395 2.197 20 10 CECDRO CC[NH2+]CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000818608247 633958381 /nfs/dbraw/zinc/95/83/81/633958381.db2.gz WBTAREKKGZXATG-UHFFFAOYSA-N 1 0 277.412 2.099 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CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1 ZINC000827281687 636279812 /nfs/dbraw/zinc/27/98/12/636279812.db2.gz JLSHRHWXBLNLRS-CZUORRHYSA-N 1 0 277.364 2.259 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000827366632 636305961 /nfs/dbraw/zinc/30/59/61/636305961.db2.gz XWONNYHTNPAVLA-JKSUJKDBSA-N 1 0 274.408 2.454 20 10 CECDRO Oc1cccc(Cl)c1C[N@@H+]1CCC2(COC2)C1 ZINC000827645374 636375164 /nfs/dbraw/zinc/37/51/64/636375164.db2.gz WDECSCSYSCHKHR-UHFFFAOYSA-N 1 0 253.729 2.268 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCc3nccnc3C2)c1 ZINC000827691914 636392683 /nfs/dbraw/zinc/39/26/83/636392683.db2.gz DBGMTFAYZOEPST-UHFFFAOYSA-N 1 0 255.321 2.049 20 10 CECDRO NC(=O)CC1(C[NH2+]Cc2cc(F)ccc2O)CCCCC1 ZINC000827750848 636412334 /nfs/dbraw/zinc/41/23/34/636412334.db2.gz PLPBYKIFUHTKKV-UHFFFAOYSA-N 1 0 294.370 2.447 20 10 CECDRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1ccccc1O ZINC000827946297 636466005 /nfs/dbraw/zinc/46/60/05/636466005.db2.gz CUVZPNGCSHACFB-BXUZGUMPSA-N 1 0 274.364 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/nfs/dbraw/zinc/92/04/84/637920484.db2.gz MHFGOYZYAGIVQS-CYBMUJFWSA-N 1 0 277.364 2.165 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000876654280 650378388 /nfs/dbraw/zinc/37/83/88/650378388.db2.gz AYIVUGZIPHVPGN-CQSZACIVSA-N 1 0 290.407 2.437 20 10 CECDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000834844785 637968191 /nfs/dbraw/zinc/96/81/91/637968191.db2.gz UYSXHIMBOLONSS-HZMBPMFUSA-N 1 0 287.787 2.484 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC)C2)cc1 ZINC000834892466 637980202 /nfs/dbraw/zinc/98/02/02/637980202.db2.gz VLDAIOJPGWQWFU-UKRRQHHQSA-N 1 0 289.423 2.414 20 10 CECDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000834901986 637982402 /nfs/dbraw/zinc/98/24/02/637982402.db2.gz YQWXJJDNTQSMNE-NWDGAFQWSA-N 1 0 264.369 2.184 20 10 CECDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876657932 650382512 /nfs/dbraw/zinc/38/25/12/650382512.db2.gz LQRBGGIIWRHYQQ-HNNXBMFYSA-N 1 0 290.407 2.439 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCN2CCCC2)cc1 ZINC000835043043 638034814 /nfs/dbraw/zinc/03/48/14/638034814.db2.gz OKLHIKIEDMIYRS-AATRIKPKSA-N 1 0 273.424 2.451 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000835044562 638036173 /nfs/dbraw/zinc/03/61/73/638036173.db2.gz MCTZHOGYEZIRFW-ABCZVMIZSA-N 1 0 299.418 2.119 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccn(C)n2)cc1 ZINC000835047996 638038167 /nfs/dbraw/zinc/03/81/67/638038167.db2.gz XQCQYROEPYBLHM-PLNGDYQASA-N 1 0 284.407 2.332 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCCn2ccnn2)cc1 ZINC000835048369 638038345 /nfs/dbraw/zinc/03/83/45/638038345.db2.gz QOCMZSQQNGAOAY-HYXAFXHYSA-N 1 0 285.395 2.037 20 10 CECDRO Cc1ccc2c(c1)OCCN2C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876669819 650391674 /nfs/dbraw/zinc/39/16/74/650391674.db2.gz YXTPQXFGHSJVED-DYLGSBMWSA-N 1 0 286.375 2.276 20 10 CECDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)c(O)c1 ZINC000876691525 650402378 /nfs/dbraw/zinc/40/23/78/650402378.db2.gz DVMPSDXHNHUYFT-OAHLLOKOSA-N 1 0 260.381 2.369 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCC2(C)CC2)cc1 ZINC000911667715 638344054 /nfs/dbraw/zinc/34/40/54/638344054.db2.gz QYCKHFARLKBUBR-OAHLLOKOSA-N 1 0 289.423 2.449 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(C)C=CCC2)cc1 ZINC000911668531 638344071 /nfs/dbraw/zinc/34/40/71/638344071.db2.gz ZBDVWMUYTNLYLZ-DOTOQJQBSA-N 1 0 287.407 2.225 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876767149 650425237 /nfs/dbraw/zinc/42/52/37/650425237.db2.gz CFQCTILSIRQLNS-LSDHHAIUSA-N 1 0 289.423 2.051 20 10 CECDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCCc2cccc(O)c21 ZINC000876875537 650468871 /nfs/dbraw/zinc/46/88/71/650468871.db2.gz VEFZINXNJUJDOA-LJTDUEICSA-N 1 0 286.375 2.227 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@H](C(C)C)N1CCOCC1 ZINC000876909321 650482510 /nfs/dbraw/zinc/48/25/10/650482510.db2.gz XJSZWBKSLKMGGD-MRXNPFEDSA-N 1 0 292.423 2.147 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2O)cn1 ZINC000876920583 650487153 /nfs/dbraw/zinc/48/71/53/650487153.db2.gz XFDPDAQSJVARCH-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CCC(CC)(C[NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000165257453 639420017 /nfs/dbraw/zinc/42/00/17/639420017.db2.gz WKTXMKAMFUEKSG-UHFFFAOYSA-N 1 0 291.439 2.476 20 10 CECDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000226613509 639556149 /nfs/dbraw/zinc/55/61/49/639556149.db2.gz GFCYOCWAXQRSML-STQMWFEESA-N 1 0 253.317 2.434 20 10 CECDRO O=S1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000158010701 639560739 /nfs/dbraw/zinc/56/07/39/639560739.db2.gz ASCZBSMHEBCKME-UHFFFAOYSA-N 1 0 273.785 2.046 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](O)COCC2CC2)c(Cl)c1 ZINC000840887061 639573554 /nfs/dbraw/zinc/57/35/54/639573554.db2.gz GPEFXCAWIHTAMR-LBPRGKRZSA-N 1 0 299.798 2.231 20 10 CECDRO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840908809 639581254 /nfs/dbraw/zinc/58/12/54/639581254.db2.gz YAGIOFZEQCKGAW-UHFFFAOYSA-N 1 0 291.439 2.361 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000840931230 639590326 /nfs/dbraw/zinc/59/03/26/639590326.db2.gz VFXCNRQKEHITFY-ZDUSSCGKSA-N 1 0 291.439 2.454 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000840935004 639591502 /nfs/dbraw/zinc/59/15/02/639591502.db2.gz ZPQDITZZJBPCHU-OAHLLOKOSA-N 1 0 284.407 2.431 20 10 CECDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938068 639592922 /nfs/dbraw/zinc/59/29/22/639592922.db2.gz ZGEXLRMSSCEOHC-HNNXBMFYSA-N 1 0 250.386 2.312 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[S@@](C)=O)c(Cl)c1 ZINC000840940110 639594277 /nfs/dbraw/zinc/59/42/77/639594277.db2.gz VODNPERCFODPGS-HUTHGQBESA-N 1 0 275.801 2.211 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)C1CCC1 ZINC000840951870 639598733 /nfs/dbraw/zinc/59/87/33/639598733.db2.gz KTGDSPSVJIGWCP-INIZCTEOSA-N 1 0 262.397 2.312 20 10 CECDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000840978545 639607899 /nfs/dbraw/zinc/60/78/99/639607899.db2.gz OIMYYEWHCWHKJV-GHMZBOCLSA-N 1 0 253.317 2.124 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CN)CC(C)C)c(O)c1 ZINC000841037958 639628509 /nfs/dbraw/zinc/62/85/09/639628509.db2.gz DPXCHZAUIVLHIZ-ZDUSSCGKSA-N 1 0 266.385 2.254 20 10 CECDRO [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000841055737 639634297 /nfs/dbraw/zinc/63/42/97/639634297.db2.gz VJBOLBNDSODDHK-WDEREUQCSA-N 1 0 299.758 2.313 20 10 CECDRO C[C@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CC[NH2+]1 ZINC000841062127 639637983 /nfs/dbraw/zinc/63/79/83/639637983.db2.gz GIHQKSQVCCJPBI-DTWKUNHWSA-N 1 0 272.751 2.415 20 10 CECDRO CC[NH2+][C@H](C)CNCc1ccc(OC)c(COCC)c1 ZINC000841064588 639639277 /nfs/dbraw/zinc/63/92/77/639639277.db2.gz CHZPKJWLDTVMEK-CYBMUJFWSA-N 1 0 280.412 2.319 20 10 CECDRO CC[NH2+][C@H](C)CNCc1cc(Cl)cc(C)c1O ZINC000841066892 639640549 /nfs/dbraw/zinc/64/05/49/639640549.db2.gz XKTXRBNKNATCPM-SNVBAGLBSA-N 1 0 256.777 2.442 20 10 CECDRO CCOCc1cc(CNC[C@@H]2C[C@H](F)C[NH2+]2)ccc1OC ZINC000841079722 639648329 /nfs/dbraw/zinc/64/83/29/639648329.db2.gz QFFNFVPTYQDLRY-GJZGRUSLSA-N 1 0 296.386 2.021 20 10 CECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841079791 639648698 /nfs/dbraw/zinc/64/86/98/639648698.db2.gz NZSNRWLZRNSLLL-LBPRGKRZSA-N 1 0 284.762 2.416 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCOC2)c1O ZINC000228660253 639650413 /nfs/dbraw/zinc/65/04/13/639650413.db2.gz PEDBFOPQOTXOQR-NSHDSACASA-N 1 0 271.744 2.275 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)C)c1ccccc1O ZINC000228929467 639665359 /nfs/dbraw/zinc/66/53/59/639665359.db2.gz RNHQNXFXQZONGU-DGCLKSJQSA-N 1 0 264.369 2.346 20 10 CECDRO COc1cc(Cl)cc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c1O ZINC000229103677 639676690 /nfs/dbraw/zinc/67/66/90/639676690.db2.gz MBSIPGWCCVEZFG-UWVGGRQHSA-N 1 0 284.787 2.236 20 10 CECDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841296501 639730548 /nfs/dbraw/zinc/73/05/48/639730548.db2.gz UGRLXWLNWBVYDT-AWEZNQCLSA-N 1 0 276.384 2.073 20 10 CECDRO CS[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000230696813 639780126 /nfs/dbraw/zinc/78/01/26/639780126.db2.gz OXLWITISXQRVJC-WDEREUQCSA-N 1 0 281.377 2.495 20 10 CECDRO Cc1ccc(C[NH2+]Cc2cccc(CO)c2)c(O)c1 ZINC000877015689 650532006 /nfs/dbraw/zinc/53/20/06/650532006.db2.gz ZWCRJFXHLFKQTN-UHFFFAOYSA-N 1 0 257.333 2.483 20 10 CECDRO Cc1ccc(C[NH2+]CC(=O)NC2CCCCC2)c(O)c1 ZINC000877010373 650530654 /nfs/dbraw/zinc/53/06/54/650530654.db2.gz WKAODUSOJSOPDI-UHFFFAOYSA-N 1 0 276.380 2.239 20 10 CECDRO Nc1ccc(CC(=O)N(CCC[NH3+])CC2CCCC2)cc1 ZINC000841851683 639883501 /nfs/dbraw/zinc/88/35/01/639883501.db2.gz UEUFTAXFHFYOGG-UHFFFAOYSA-N 1 0 289.423 2.179 20 10 CECDRO CCOCc1cc(C[NH2+]CC2(N(C)C)CC2)ccc1OC ZINC000841892200 639901424 /nfs/dbraw/zinc/90/14/24/639901424.db2.gz UXSBDQDWOPFFDN-UHFFFAOYSA-N 1 0 292.423 2.416 20 10 CECDRO CCCC[C@@H](C[NH3+])NC(=O)N(C)Cc1ccccc1O ZINC000841959641 639911696 /nfs/dbraw/zinc/91/16/96/639911696.db2.gz YTXKVCXYHKYGLE-ZDUSSCGKSA-N 1 0 279.384 2.051 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)C[NH3+] ZINC000841963995 639912519 /nfs/dbraw/zinc/91/25/19/639912519.db2.gz ZBRMNMJTHACMFX-ZDUSSCGKSA-N 1 0 293.411 2.299 20 10 CECDRO CC[C@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000842146919 639966165 /nfs/dbraw/zinc/96/61/65/639966165.db2.gz FBLPZSBACHXBMO-QGZVFWFLSA-N 1 0 292.423 2.380 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC000877049536 650547953 /nfs/dbraw/zinc/54/79/53/650547953.db2.gz GRFFXTQBOZMGMA-KGLIPLIRSA-N 1 0 297.420 2.146 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1O ZINC000842621958 640121969 /nfs/dbraw/zinc/12/19/69/640121969.db2.gz FLAMHNNRIXPBBG-OCCSQVGLSA-N 1 0 277.364 2.320 20 10 CECDRO Cc1cc(O)c(CN2CCC[NH2+]CC2)c(Cl)c1 ZINC000843045815 640251563 /nfs/dbraw/zinc/25/15/63/640251563.db2.gz XDIPRPAZUWKRDQ-UHFFFAOYSA-N 1 0 254.761 2.149 20 10 CECDRO Cc1cc(Br)cc(CN2CC[NH2+]C[C@H]2C)c1O ZINC000843047769 640252735 /nfs/dbraw/zinc/25/27/35/640252735.db2.gz SWVWGEMDHWZDDJ-SNVBAGLBSA-N 1 0 299.212 2.257 20 10 CECDRO C[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)[C@@H]1C[NH3+] ZINC000843051089 640255169 /nfs/dbraw/zinc/25/51/69/640255169.db2.gz DZLMRASTASBHQQ-MLGOLLRUSA-N 1 0 279.403 2.451 20 10 CECDRO C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000843056879 640259519 /nfs/dbraw/zinc/25/95/19/640259519.db2.gz BIJRZTCMVKMMQT-DTWKUNHWSA-N 1 0 272.751 2.354 20 10 CECDRO NC(=O)c1cccc(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000843057938 640259920 /nfs/dbraw/zinc/25/99/20/640259920.db2.gz ZYSUSCAWGQJCSV-UHFFFAOYSA-N 1 0 295.386 2.197 20 10 CECDRO CCC[C@H]1C[NH2+]CCN1Cc1cccc(OCC)c1O ZINC000843057760 640260240 /nfs/dbraw/zinc/26/02/40/640260240.db2.gz HYCFLAVCBDTIHV-AWEZNQCLSA-N 1 0 278.396 2.365 20 10 CECDRO C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843058738 640261254 /nfs/dbraw/zinc/26/12/54/640261254.db2.gz XFIHVOZAOZEKNW-BDAKNGLRSA-N 1 0 299.758 2.123 20 10 CECDRO [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3[O-])C[C@H]21 ZINC000843059279 640261694 /nfs/dbraw/zinc/26/16/94/640261694.db2.gz JBZZVXGKYFFZAD-MPKXVKKWSA-N 1 0 264.344 2.091 20 10 CECDRO C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843058485 640261966 /nfs/dbraw/zinc/26/19/66/640261966.db2.gz UIAHEKIYZLQXAF-UWVGGRQHSA-N 1 0 254.761 2.215 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1 ZINC000877082392 650563745 /nfs/dbraw/zinc/56/37/45/650563745.db2.gz RIQMNYBDRSKSGK-CYBMUJFWSA-N 1 0 276.380 2.190 20 10 CECDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)cc(C)c1O ZINC000843121718 640289252 /nfs/dbraw/zinc/28/92/52/640289252.db2.gz IIZHXLVBYOOIRP-STQMWFEESA-N 1 0 286.778 2.486 20 10 CECDRO CCN(CC)c1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000843120510 640289764 /nfs/dbraw/zinc/28/97/64/640289764.db2.gz NWTVLVFXDWKUGD-CZUORRHYSA-N 1 0 261.413 2.312 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843124367 640290520 /nfs/dbraw/zinc/29/05/20/640290520.db2.gz ZGVHCKXPCILRPE-OAHLLOKOSA-N 1 0 264.344 2.107 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125438 640292393 /nfs/dbraw/zinc/29/23/93/640292393.db2.gz WNVLESYWUYWOOI-QWHCGFSZSA-N 1 0 278.371 2.353 20 10 CECDRO Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)c(O)c1 ZINC000877092838 650568836 /nfs/dbraw/zinc/56/88/36/650568836.db2.gz LCUVUBCWNJSDEI-CYBMUJFWSA-N 1 0 275.348 2.234 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCCC[C@H]2[C@H](C)[NH3+])c1O ZINC000843346098 640396842 /nfs/dbraw/zinc/39/68/42/640396842.db2.gz LSVAJBNEGJGCIP-BONVTDFDSA-N 1 0 294.370 2.436 20 10 CECDRO COCC1(CC[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000843419019 640421670 /nfs/dbraw/zinc/42/16/70/640421670.db2.gz OTSCULJYMSEBPY-UHFFFAOYSA-N 1 0 253.317 2.438 20 10 CECDRO CCC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1CCN(C)C1 ZINC000843422819 640424075 /nfs/dbraw/zinc/42/40/75/640424075.db2.gz SUUVEEJIRUKAIN-CQSZACIVSA-N 1 0 278.396 2.317 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CCS[C@H]2C)cc1OC ZINC000843435097 640430499 /nfs/dbraw/zinc/43/04/99/640430499.db2.gz QFIRXEZOUVVNTI-ONGXEEELSA-N 1 0 283.393 2.393 20 10 CECDRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000843490365 640441913 /nfs/dbraw/zinc/44/19/13/640441913.db2.gz STTWPZBQOQAVSF-OAHLLOKOSA-N 1 0 290.407 2.261 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000877132957 650588084 /nfs/dbraw/zinc/58/80/84/650588084.db2.gz SBUOCHRJQMMWKE-BBRMVZONSA-N 1 0 277.364 2.128 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCN(C(=O)C3CC3)CC2)cc1C ZINC000915838054 640632817 /nfs/dbraw/zinc/63/28/17/640632817.db2.gz YIXSCAUPZLRYGQ-UHFFFAOYSA-N 1 0 288.391 2.063 20 10 CECDRO CCOCC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399158 640707549 /nfs/dbraw/zinc/70/75/49/640707549.db2.gz HOWYYRMVOANGLJ-UHFFFAOYSA-N 1 0 266.385 2.100 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CCC(C)(C)O)cc1 ZINC000844400690 640708224 /nfs/dbraw/zinc/70/82/24/640708224.db2.gz GNZLRZOQHQUOLD-UHFFFAOYSA-N 1 0 280.412 2.224 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(CC3(F)F)C1)[C@H](O)CO2 ZINC000844756297 640828289 /nfs/dbraw/zinc/82/82/89/640828289.db2.gz JXAHIFUOVGGOAF-TZMCWYRMSA-N 1 0 297.301 2.049 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2cncnc2)cc1 ZINC000155185824 641116348 /nfs/dbraw/zinc/11/63/48/641116348.db2.gz JPIZZHGFZXAUPZ-UHFFFAOYSA-N 1 0 256.353 2.175 20 10 CECDRO C[C@@H]([NH2+]CCCn1ccnn1)c1ccc(N(C)C)cc1 ZINC000126413455 650633643 /nfs/dbraw/zinc/63/36/43/650633643.db2.gz XQOILCXFCDUQOO-CYBMUJFWSA-N 1 0 273.384 2.085 20 10 CECDRO C[C@@H](COCC1CC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000846072214 641172922 /nfs/dbraw/zinc/17/29/22/641172922.db2.gz DPFTVRCQDSSYBP-JTQLQIEISA-N 1 0 279.336 2.026 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CCCC2=O)c(Cl)c1 ZINC000846076052 641174210 /nfs/dbraw/zinc/17/42/10/641174210.db2.gz DIWGABRPMKJFKB-UHFFFAOYSA-N 1 0 282.771 2.066 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846113544 641188283 /nfs/dbraw/zinc/18/82/83/641188283.db2.gz YMNGKXXDSVGFOS-TXEJJXNPSA-N 1 0 269.291 2.488 20 10 CECDRO COC[C@@H](C)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846147064 641202285 /nfs/dbraw/zinc/20/22/85/641202285.db2.gz VIDNGIXKICSSIG-QWRGUYRKSA-N 1 0 253.342 2.334 20 10 CECDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148878 641202647 /nfs/dbraw/zinc/20/26/47/641202647.db2.gz IBQFUFIOKLUXBP-RYUDHWBXSA-N 1 0 267.369 2.460 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)c1O ZINC000846149450 641203352 /nfs/dbraw/zinc/20/33/52/641203352.db2.gz ZNKHVWLRJSUZQI-GRYCIOLGSA-N 1 0 265.353 2.476 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1O ZINC000846153686 641205786 /nfs/dbraw/zinc/20/57/86/641205786.db2.gz ZWPCUEIWHKHTOV-UNXYVOJBSA-N 1 0 292.379 2.096 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](OC)C2CC2)c1O ZINC000846171453 641211329 /nfs/dbraw/zinc/21/13/29/641211329.db2.gz SUSNBBBUXMYOIB-HZMBPMFUSA-N 1 0 265.353 2.476 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2OC)c1O ZINC000846170740 641211572 /nfs/dbraw/zinc/21/15/72/641211572.db2.gz ZFANGVDXMVWEAY-ZOWXZIJZSA-N 1 0 295.379 2.103 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@@H](C)O ZINC000846170060 641211646 /nfs/dbraw/zinc/21/16/46/641211646.db2.gz VTIKAPZFVICYST-FOGDFJRCSA-N 1 0 253.342 2.211 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC2=CCCOC2)c1O ZINC000846170120 641211859 /nfs/dbraw/zinc/21/18/59/641211859.db2.gz IJDNNCIKVLPSIE-NSHDSACASA-N 1 0 263.337 2.398 20 10 CECDRO CC[C@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)OC ZINC000846172898 641212576 /nfs/dbraw/zinc/21/25/76/641212576.db2.gz PIJJUATYLYNYLW-WDEREUQCSA-N 1 0 253.342 2.476 20 10 CECDRO CCN1C[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2O)CC1=O ZINC000846207825 641222408 /nfs/dbraw/zinc/22/24/08/641222408.db2.gz GHOOPGDEBHWPOF-CHWSQXEVSA-N 1 0 276.380 2.220 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCF)c2c1c(F)ccc2O ZINC000846208769 641222994 /nfs/dbraw/zinc/22/29/94/641222994.db2.gz KYMFSHUSDDSEOP-FXPVBKGRSA-N 1 0 271.307 2.390 20 10 CECDRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(N(C)C)cc1 ZINC000846214253 641225295 /nfs/dbraw/zinc/22/52/95/641225295.db2.gz LJEDTOAZYSDCRG-WMLDXEAASA-N 1 0 292.423 2.335 20 10 CECDRO C[C@H](NC(=O)/C=C\[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000877256979 650644256 /nfs/dbraw/zinc/64/42/56/650644256.db2.gz INZKWLPXKAIMCN-MYSQMOAQSA-N 1 0 274.364 2.125 20 10 CECDRO CC(C)C[N@H+](C)CCCNC(=O)C1=CC(=O)CS1 ZINC000846660736 641378920 /nfs/dbraw/zinc/37/89/20/641378920.db2.gz XHTUAPRJZLDZLU-UHFFFAOYSA-N 1 0 270.398 2.161 20 10 CECDRO C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000846705020 641403781 /nfs/dbraw/zinc/40/37/81/641403781.db2.gz WZOWGWHRAWIQKN-ONGXEEELSA-N 1 0 254.761 2.357 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(=O)NCC2CC2)cc1 ZINC000181295249 641534929 /nfs/dbraw/zinc/53/49/29/641534929.db2.gz LMXUTQGQUPFFDK-ZDUSSCGKSA-N 1 0 289.423 2.320 20 10 CECDRO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000071270397 641732893 /nfs/dbraw/zinc/73/28/93/641732893.db2.gz GHCGHRNHUBLDCS-AAEUAGOBSA-N 1 0 275.348 2.203 20 10 CECDRO CCCN(Cc1cccc(OCC)c1O)[C@H]1CC[NH2+]C1 ZINC000071314507 641739257 /nfs/dbraw/zinc/73/92/57/641739257.db2.gz CNMHBGQROBBRCM-AWEZNQCLSA-N 1 0 278.396 2.365 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000184721240 641896135 /nfs/dbraw/zinc/89/61/35/641896135.db2.gz UIIRFXPBWNCADM-UHFFFAOYSA-N 1 0 293.363 2.130 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COCC(C)C)c(O)c1 ZINC000185117366 641938383 /nfs/dbraw/zinc/93/83/83/641938383.db2.gz ADBVXONTKMSKIY-KBPBESRZSA-N 1 0 281.396 2.385 20 10 CECDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185530999 641990778 /nfs/dbraw/zinc/99/07/78/641990778.db2.gz KVNLZPVSELAXLC-KOLCDFICSA-N 1 0 273.373 2.296 20 10 CECDRO CC[C@H]([NH2+]C[C@@](C)(CO)OC)c1ccc(N(C)C)cc1 ZINC000848557583 642052348 /nfs/dbraw/zinc/05/23/48/642052348.db2.gz GALMZMMIMQPBJX-HOTGVXAUSA-N 1 0 280.412 2.191 20 10 CECDRO COc1cccc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000848565747 642057504 /nfs/dbraw/zinc/05/75/04/642057504.db2.gz LICGWNUYEIAWTP-NSHDSACASA-N 1 0 295.379 2.468 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc1C ZINC000848577376 642063049 /nfs/dbraw/zinc/06/30/49/642063049.db2.gz LSTZAGKNYNZLPT-CQSZACIVSA-N 1 0 290.363 2.082 20 10 CECDRO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cccc(CC)c1O ZINC000848891279 642174230 /nfs/dbraw/zinc/17/42/30/642174230.db2.gz YHLLBPSABNMWIQ-CQSZACIVSA-N 1 0 276.380 2.055 20 10 CECDRO CCc1cccc(C[NH2+]CCCc2cnn(C)c2)c1O ZINC000848895629 642176117 /nfs/dbraw/zinc/17/61/17/642176117.db2.gz USQXZYYYYIJZDS-UHFFFAOYSA-N 1 0 273.380 2.411 20 10 CECDRO CCc1cccc(C[NH2+][C@H](CCO)C2CCOCC2)c1O ZINC000848902908 642180258 /nfs/dbraw/zinc/18/02/58/642180258.db2.gz JMLXHHWNEZRVHI-MRXNPFEDSA-N 1 0 293.407 2.222 20 10 CECDRO CCc1cccc(C[N@H+]2C[C@H](COC)O[C@@H](C)C2)c1O ZINC000848905153 642181258 /nfs/dbraw/zinc/18/12/58/642181258.db2.gz HVTVLUBQZGOPQU-SWLSCSKDSA-N 1 0 279.380 2.190 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O ZINC000848905803 642182789 /nfs/dbraw/zinc/18/27/89/642182789.db2.gz OKRVOMPNYNQXHA-CFVMTHIKSA-N 1 0 288.391 2.040 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c1O ZINC000848905802 642183221 /nfs/dbraw/zinc/18/32/21/642183221.db2.gz OKRVOMPNYNQXHA-AEGPPILISA-N 1 0 288.391 2.040 20 10 CECDRO CCc1cccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1O ZINC000848910159 642185008 /nfs/dbraw/zinc/18/50/08/642185008.db2.gz HLEDPOZKDFLBJP-HOTGVXAUSA-N 1 0 291.391 2.334 20 10 CECDRO CCc1cccc(C[N@H+]2CCN(C)C[C@H]2CC)c1O ZINC000848914834 642188302 /nfs/dbraw/zinc/18/83/02/642188302.db2.gz TWZRIJRKVPIDAE-OAHLLOKOSA-N 1 0 262.397 2.481 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)c1O ZINC000848916939 642190609 /nfs/dbraw/zinc/19/06/09/642190609.db2.gz BKIMCCFSXFBCIK-BXUZGUMPSA-N 1 0 277.364 2.196 20 10 CECDRO CCc1cccc(C[NH2+]C2(CO)CCSCC2)c1O ZINC000848917857 642190795 /nfs/dbraw/zinc/19/07/95/642190795.db2.gz YWEOBMKVLLQXSO-UHFFFAOYSA-N 1 0 281.421 2.302 20 10 CECDRO CCc1cccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c1O ZINC000848917603 642190812 /nfs/dbraw/zinc/19/08/12/642190812.db2.gz XGFNCSRMQNOMKQ-UHFFFAOYSA-N 1 0 299.436 2.258 20 10 CECDRO FC1(F)CC12C[NH+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000848922651 642194449 /nfs/dbraw/zinc/19/44/49/642194449.db2.gz WSEXYYINVLLAAJ-UHFFFAOYSA-N 1 0 294.345 2.364 20 10 CECDRO CCOCCOCC[N@H+](C)Cc1ccc(C)cc1O ZINC000877466301 650732557 /nfs/dbraw/zinc/73/25/57/650732557.db2.gz HPRSPFCBJFSGHQ-UHFFFAOYSA-N 1 0 267.369 2.186 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2O)[C@@H]1C ZINC000877467005 650732622 /nfs/dbraw/zinc/73/26/22/650732622.db2.gz VDZYZJHKKPOWBW-VXGBXAGGSA-N 1 0 263.337 2.084 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)[C@@H]1C ZINC000877466970 650732816 /nfs/dbraw/zinc/73/28/16/650732816.db2.gz UTBPCVCZWGPUJW-DGCLKSJQSA-N 1 0 263.337 2.084 20 10 CECDRO CCCNC(=[NH2+])NCc1cc(Br)ccc1O ZINC000849027898 642241229 /nfs/dbraw/zinc/24/12/29/642241229.db2.gz PYOZJLQORGKEIV-UHFFFAOYSA-N 1 0 286.173 2.179 20 10 CECDRO O[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921587147 642251785 /nfs/dbraw/zinc/25/17/85/642251785.db2.gz QJWCSDDZPFBZDG-CABCVRRESA-N 1 0 261.365 2.405 20 10 CECDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921618577 642270738 /nfs/dbraw/zinc/27/07/38/642270738.db2.gz JHLPKBXBAWOVQL-QWHCGFSZSA-N 1 0 290.407 2.404 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cnccn3)C2)cc1 ZINC000849322128 642327236 /nfs/dbraw/zinc/32/72/36/642327236.db2.gz OAVDFYRBYYNSGQ-KGLIPLIRSA-N 1 0 298.390 2.415 20 10 CECDRO COCCO[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877502315 650753443 /nfs/dbraw/zinc/75/34/43/650753443.db2.gz FOQNWRHQSJMTMP-CQSZACIVSA-N 1 0 279.380 2.328 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnn2c1CCC2 ZINC000850137451 642591190 /nfs/dbraw/zinc/59/11/90/642591190.db2.gz PEQIZVFXPGPXKL-UHFFFAOYSA-N 1 0 284.407 2.494 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccn(C)c3)C2)cc1 ZINC000850347045 642675410 /nfs/dbraw/zinc/67/54/10/642675410.db2.gz MOMGKMXOGGOEBA-HNNXBMFYSA-N 1 0 285.391 2.402 20 10 CECDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000850355441 642679746 /nfs/dbraw/zinc/67/97/46/642679746.db2.gz IRNGHHUXORTRME-VBHSOAQHSA-N 1 0 267.394 2.172 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC1CCC(O)CC1 ZINC000850395070 642698768 /nfs/dbraw/zinc/69/87/68/642698768.db2.gz NIECKPOASXMEBF-UHFFFAOYSA-N 1 0 265.353 2.042 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000877540729 650777009 /nfs/dbraw/zinc/77/70/09/650777009.db2.gz ATOMAAHZASQIIZ-NSHDSACASA-N 1 0 271.307 2.150 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)CCCCO)C2)cc1 ZINC000850489212 642729693 /nfs/dbraw/zinc/72/96/93/642729693.db2.gz RZNIMBLNGRLIGL-GJZGRUSLSA-N 1 0 292.423 2.415 20 10 CECDRO COC[C@H](CC[NH2+][C@H](C)c1cccc(OC)c1O)OC ZINC000850486304 642729947 /nfs/dbraw/zinc/72/99/47/642729947.db2.gz RWTAVMMPIZXING-NEPJUHHUSA-N 1 0 283.368 2.103 20 10 CECDRO CC[C@@H]([NH2+]CCN(C)C(=O)OC)c1ccc(C)cc1O ZINC000850547165 642748492 /nfs/dbraw/zinc/74/84/92/642748492.db2.gz BOIJZUZRUYEBKG-CYBMUJFWSA-N 1 0 280.368 2.440 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)c2c1c(F)ccc2O ZINC000850577577 642756123 /nfs/dbraw/zinc/75/61/23/642756123.db2.gz ANMUZPOEPFPZJQ-CDLYGTGVSA-N 1 0 251.301 2.193 20 10 CECDRO CN(C(=O)C[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000109773266 642925831 /nfs/dbraw/zinc/92/58/31/642925831.db2.gz HJDAEUGGICWKMP-UHFFFAOYSA-N 1 0 284.359 2.487 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2OCCCO2)c(Cl)c1 ZINC000922280171 642997552 /nfs/dbraw/zinc/99/75/52/642997552.db2.gz WVESFYYVQQVBEX-UHFFFAOYSA-N 1 0 271.744 2.207 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000877593515 650805557 /nfs/dbraw/zinc/80/55/57/650805557.db2.gz BUSOXQSESUZVJW-NSHDSACASA-N 1 0 270.323 2.130 20 10 CECDRO COC(OC)[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000922314058 643021587 /nfs/dbraw/zinc/02/15/87/643021587.db2.gz XTEHDTMWJXVULS-YBJDMEARSA-N 1 0 278.396 2.363 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](COC)OC ZINC000851791611 643164720 /nfs/dbraw/zinc/16/47/20/643164720.db2.gz DKHZZLITYCTCIL-CQSZACIVSA-N 1 0 267.369 2.266 20 10 CECDRO CCOc1cccc(C[NH2+]CC2CC3(C2)OCCO3)c1O ZINC000922798309 643268362 /nfs/dbraw/zinc/26/83/62/643268362.db2.gz KKMDFNLJMZJWSF-UHFFFAOYSA-N 1 0 293.363 2.034 20 10 CECDRO Cc1cc(C[NH2+][C@H](CO)C2CCC2)ccc1N(C)C ZINC000852321111 643394713 /nfs/dbraw/zinc/39/47/13/643394713.db2.gz RMPDKNKQZPGAFS-OAHLLOKOSA-N 1 0 262.397 2.312 20 10 CECDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(OC)ccc2O)C[C@@H]1C ZINC000877666222 650840791 /nfs/dbraw/zinc/84/07/91/650840791.db2.gz BHUXMVUYCCAKCX-ZBEGNZNMSA-N 1 0 293.363 2.032 20 10 CECDRO COC(=O)[C@@]1(C)C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000877666293 650840878 /nfs/dbraw/zinc/84/08/78/650840878.db2.gz DWHXZNGJUCIAIS-GUYCJALGSA-N 1 0 290.407 2.384 20 10 CECDRO Cc1ccc(N(C)C(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc1 ZINC000852808360 643560444 /nfs/dbraw/zinc/56/04/44/643560444.db2.gz UCUFLPMYDROSQD-GFCCVEGCSA-N 1 0 284.363 2.072 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)[C@@H](C)O)c1 ZINC000824921619 643789528 /nfs/dbraw/zinc/78/95/28/643789528.db2.gz OGKPWJUAWNVUQG-MFKMUULPSA-N 1 0 253.342 2.040 20 10 CECDRO C[C@]12COC[C@@H]1C[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000853566080 643814514 /nfs/dbraw/zinc/81/45/14/643814514.db2.gz LGQRRMNXTSTPQM-GUYCJALGSA-N 1 0 284.359 2.409 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1C ZINC000853568296 643815589 /nfs/dbraw/zinc/81/55/89/643815589.db2.gz ZMHYKVINDNDPJR-GDBMZVCRSA-N 1 0 261.365 2.477 20 10 CECDRO C[C@@H](NCC12CC(C1)C[NH2+]2)c1cc(F)cc(F)c1[O-] ZINC000854227379 644016062 /nfs/dbraw/zinc/01/60/62/644016062.db2.gz NUMOUIBRDDDNTL-NQTXRORDSA-N 1 0 268.307 2.073 20 10 CECDRO CCN(C)c1ccc(C[NH2+][C@](C)(C(N)=O)C(C)C)cc1 ZINC000839007329 644122763 /nfs/dbraw/zinc/12/27/63/644122763.db2.gz GNZVZWNYSLAWMM-INIZCTEOSA-N 1 0 277.412 2.132 20 10 CECDRO CCOc1ccc(C[NH+]2CC(c3nc(C)no3)C2)c(O)c1 ZINC000839131207 644168407 /nfs/dbraw/zinc/16/84/07/644168407.db2.gz PCSLFNKPEZGLCB-UHFFFAOYSA-N 1 0 289.335 2.082 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000839182221 644181462 /nfs/dbraw/zinc/18/14/62/644181462.db2.gz LRSHEGQAFDJBQL-LSDHHAIUSA-N 1 0 277.364 2.448 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000839187997 644183987 /nfs/dbraw/zinc/18/39/87/644183987.db2.gz STFKIRRVRGCMDC-ZBFHGGJFSA-N 1 0 260.381 2.363 20 10 CECDRO C[C@H]([NH2+]Cc1cnc(N(C)C)n1C)c1ccccc1O ZINC000877758036 650900197 /nfs/dbraw/zinc/90/01/97/650900197.db2.gz FUMDNBDRTNLNAQ-NSHDSACASA-N 1 0 274.368 2.043 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000855162522 644261949 /nfs/dbraw/zinc/26/19/49/644261949.db2.gz XVZHZJGLCGAHLS-JTQLQIEISA-N 1 0 282.409 2.304 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCCC[C@@H]1O ZINC000877777889 650906973 /nfs/dbraw/zinc/90/69/73/650906973.db2.gz HRXVWZORNQCLQK-CVEARBPZSA-N 1 0 262.397 2.454 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)c1 ZINC000877797299 650913729 /nfs/dbraw/zinc/91/37/29/650913729.db2.gz SSLMTWBBXRJRHH-CYBMUJFWSA-N 1 0 279.380 2.384 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)c1O ZINC000877796929 650913833 /nfs/dbraw/zinc/91/38/33/650913833.db2.gz NIRXWXOVRMRAIR-CYBMUJFWSA-N 1 0 279.380 2.384 20 10 CECDRO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(F)ccc1O 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CECDRO CCOc1cncc(C[NH2+]Cc2ccccc2O)c1 ZINC000856768631 644715198 /nfs/dbraw/zinc/71/51/98/644715198.db2.gz MMOKJYLSGPKMCR-UHFFFAOYSA-N 1 0 258.321 2.476 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cn(C)nc2Cl)c1 ZINC000856771014 644716905 /nfs/dbraw/zinc/71/69/05/644716905.db2.gz VYPSLMADNQGFQZ-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO CCN(CC)c1ccc(CN(C)[C@H](C)C[NH3+])cc1F ZINC000843052469 644761392 /nfs/dbraw/zinc/76/13/92/644761392.db2.gz UNFPYWXYXXDPED-GFCCVEGCSA-N 1 0 267.392 2.451 20 10 CECDRO CCN(C)c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1 ZINC000839651777 644763321 /nfs/dbraw/zinc/76/33/21/644763321.db2.gz RDNNLYYSBAYTLI-RDJZCZTQSA-N 1 0 292.423 2.020 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1Cl ZINC000857046013 644798909 /nfs/dbraw/zinc/79/89/09/644798909.db2.gz DYZUNVVJDVSHBE-SNVBAGLBSA-N 1 0 282.771 2.051 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000857083904 644812533 /nfs/dbraw/zinc/81/25/33/644812533.db2.gz APQNZKZRMSOLNZ-GXTWGEPZSA-N 1 0 276.380 2.280 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000857084575 644813369 /nfs/dbraw/zinc/81/33/69/644813369.db2.gz WFGGQZXZGHUBGG-BXKDBHETSA-N 1 0 282.771 2.317 20 10 CECDRO CN(C)c1ccc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1F ZINC000857225908 644858161 /nfs/dbraw/zinc/85/81/61/644858161.db2.gz AFIKYEQGVHFBQB-XJKSGUPXSA-N 1 0 277.387 2.205 20 10 CECDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(Cl)ccc1O)C2 ZINC000857226165 644858239 /nfs/dbraw/zinc/85/82/39/644858239.db2.gz GSDKSPAWYWWTLU-BXUZGUMPSA-N 1 0 266.772 2.359 20 10 CECDRO [NH3+][C@]12CCC[C@H]1CN(Cc1c(O)cccc1Cl)C2 ZINC000857226778 644859624 /nfs/dbraw/zinc/85/96/24/644859624.db2.gz ZDCRWAFHPONXSD-HZMBPMFUSA-N 1 0 266.772 2.359 20 10 CECDRO CN(C)c1ccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000857230131 644860840 /nfs/dbraw/zinc/86/08/40/644860840.db2.gz ODJANBKOLXDTOA-GDBMZVCRSA-N 1 0 259.397 2.066 20 10 CECDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1ccccc1O ZINC000758739333 644954842 /nfs/dbraw/zinc/95/48/42/644954842.db2.gz UBUXHRCWJCHJCX-CQSZACIVSA-N 1 0 291.395 2.066 20 10 CECDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000759173952 644992479 /nfs/dbraw/zinc/99/24/79/644992479.db2.gz SCHLYNMGHGYLJV-ZBFHGGJFSA-N 1 0 296.386 2.175 20 10 CECDRO CC(C)NC(=O)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858093625 645059489 /nfs/dbraw/zinc/05/94/89/645059489.db2.gz FQEQUBBUNMTTAN-UHFFFAOYSA-N 1 0 299.365 2.035 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H](C)CO ZINC000858142449 645073320 /nfs/dbraw/zinc/07/33/20/645073320.db2.gz BBSOOADGMGQEMV-NXEZZACHSA-N 1 0 272.339 2.137 20 10 CECDRO CN1CCO[C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)C[C@H]21 ZINC000760424732 645155678 /nfs/dbraw/zinc/15/56/78/645155678.db2.gz PIRVLZDUOMNIMB-AEFFLSMTSA-N 1 0 298.386 2.060 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(N(C)C)cc1 ZINC000858520670 645190087 /nfs/dbraw/zinc/19/00/87/645190087.db2.gz HQHIRKFMTVRNPZ-SJORKVTESA-N 1 0 291.439 2.124 20 10 CECDRO C[C@@H]([NH2+]CCN(C)CC(F)F)c1cc(F)ccc1O ZINC000858596119 645216452 /nfs/dbraw/zinc/21/64/52/645216452.db2.gz BFGJXIWUSCDETP-SECBINFHSA-N 1 0 276.302 2.379 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)CC2CC2)c1O ZINC000761216618 645258329 /nfs/dbraw/zinc/25/83/29/645258329.db2.gz UVNIGWBQEXOAPG-LBPRGKRZSA-N 1 0 285.771 2.305 20 10 CECDRO COc1cc(O)c(C[NH2+]CCOCC2CCC2)cc1OC ZINC000765678264 645797556 /nfs/dbraw/zinc/79/75/56/645797556.db2.gz OGTHDIKNIURLPE-UHFFFAOYSA-N 1 0 295.379 2.316 20 10 CECDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000765796557 645811276 /nfs/dbraw/zinc/81/12/76/645811276.db2.gz OJPDYWQJHXJIJM-JOYOIKCWSA-N 1 0 282.771 2.050 20 10 CECDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000765796070 645811373 /nfs/dbraw/zinc/81/13/73/645811373.db2.gz MLZXRRWJIJIUKC-KBPBESRZSA-N 1 0 276.380 2.013 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)C2)c(O)c1 ZINC000768231548 646099603 /nfs/dbraw/zinc/09/96/03/646099603.db2.gz VWCGEQNMOBYWFS-ZDUSSCGKSA-N 1 0 293.363 2.176 20 10 CECDRO COCCC[N@H+](CCOC)Cc1cc(OC)c(C)cc1O ZINC000768440257 646122317 /nfs/dbraw/zinc/12/23/17/646122317.db2.gz PSVCRLSLQVREEE-UHFFFAOYSA-N 1 0 297.395 2.194 20 10 CECDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC1CC1 ZINC000768447990 646123577 /nfs/dbraw/zinc/12/35/77/646123577.db2.gz SMYDJOAJWDLMRD-CQSZACIVSA-N 1 0 263.337 2.050 20 10 CECDRO CN(C)c1ccc(CN2CC[NH2+]C(C)(C)C2)cc1F ZINC000769191588 646222299 /nfs/dbraw/zinc/22/22/99/646222299.db2.gz AUWDHOAGQIOSNE-UHFFFAOYSA-N 1 0 265.376 2.076 20 10 CECDRO COc1cccc(O)c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000769331619 646247070 /nfs/dbraw/zinc/24/70/70/646247070.db2.gz UPONPLIZQGLIKD-CQSZACIVSA-N 1 0 290.407 2.461 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)CC1CCOCC1 ZINC000769384584 646257955 /nfs/dbraw/zinc/25/79/55/646257955.db2.gz RGPMCDNLPYVWOG-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO CCOc1cccc(C[N@H+](C)Cc2cn[nH]c2)c1O ZINC000769428077 646265046 /nfs/dbraw/zinc/26/50/46/646265046.db2.gz ZYAHSKLAQJQLBJ-UHFFFAOYSA-N 1 0 261.325 2.146 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)CCOCC1CC1 ZINC000769523307 646282017 /nfs/dbraw/zinc/28/20/17/646282017.db2.gz FTISYANDEBFTDZ-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO COC(=O)[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862225531 646369100 /nfs/dbraw/zinc/36/91/00/646369100.db2.gz XEUSMZSBALIILY-JTQLQIEISA-N 1 0 298.333 2.026 20 10 CECDRO CCOC(=O)N(C)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000770509482 646400307 /nfs/dbraw/zinc/40/03/07/646400307.db2.gz AOVVXZYHOAZXKF-UHFFFAOYSA-N 1 0 292.379 2.445 20 10 CECDRO Cc1cccc(C[NH2+][C@](C)(CO)c2cccc(O)c2)c1O ZINC000862432610 646457973 /nfs/dbraw/zinc/45/79/73/646457973.db2.gz KHTXILJTEBSZMS-QGZVFWFLSA-N 1 0 287.359 2.404 20 10 CECDRO CCn1nncc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000862434247 646459376 /nfs/dbraw/zinc/45/93/76/646459376.db2.gz SQROFJMFNYVNBL-UHFFFAOYSA-N 1 0 282.347 2.447 20 10 CECDRO COC(=O)c1coc(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000862476456 646473087 /nfs/dbraw/zinc/47/30/87/646473087.db2.gz UUSHVHDDKQVMFH-UHFFFAOYSA-N 1 0 275.304 2.370 20 10 CECDRO Cc1ccc(O)c(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000862761002 646559575 /nfs/dbraw/zinc/55/95/75/646559575.db2.gz ZQYZNTVLBXZWGC-BETUJISGSA-N 1 0 276.380 2.190 20 10 CECDRO COc1ccc(O)c([C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863547073 646753666 /nfs/dbraw/zinc/75/36/66/646753666.db2.gz OQYVRJZHOKMKHC-SRVKXCTJSA-N 1 0 264.369 2.192 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)cc1 ZINC000773834895 646778903 /nfs/dbraw/zinc/77/89/03/646778903.db2.gz VJPHDZQXKIQPIY-HIFRSBDPSA-N 1 0 262.397 2.345 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@](O)(CC)C2)cc1 ZINC000773864742 646782013 /nfs/dbraw/zinc/78/20/13/646782013.db2.gz XRTDRLGLVKIJCX-INIZCTEOSA-N 1 0 262.397 2.490 20 10 CECDRO CC[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccccc1O ZINC000775416813 646952476 /nfs/dbraw/zinc/95/24/76/646952476.db2.gz YANGBNQLNXDGOW-CQSZACIVSA-N 1 0 276.380 2.492 20 10 CECDRO CC[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccccc1O ZINC000775416254 646952674 /nfs/dbraw/zinc/95/26/74/646952674.db2.gz XMMGVVCFTUFQFX-ZFWWWQNUSA-N 1 0 279.380 2.220 20 10 CECDRO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(F)F ZINC000775661726 646977382 /nfs/dbraw/zinc/97/73/82/646977382.db2.gz AECAOXSNGHWKRA-UHFFFAOYSA-N 1 0 283.366 2.135 20 10 CECDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000775983106 647012926 /nfs/dbraw/zinc/01/29/26/647012926.db2.gz BCEMKENWEYEHSW-CHWSQXEVSA-N 1 0 279.403 2.416 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)c1O ZINC000775986465 647013545 /nfs/dbraw/zinc/01/35/45/647013545.db2.gz QUNIRCOOQNRXNB-STQMWFEESA-N 1 0 278.396 2.315 20 10 CECDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(C)C2)c1O ZINC000776174121 647031564 /nfs/dbraw/zinc/03/15/64/647031564.db2.gz ADOLNMOAFSAPKQ-GFCCVEGCSA-N 1 0 299.212 2.257 20 10 CECDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(F)ccc1O ZINC000779088638 647286551 /nfs/dbraw/zinc/28/65/51/647286551.db2.gz SPIJDKVWCPCRTD-MFKMUULPSA-N 1 0 255.333 2.418 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000779347200 647315150 /nfs/dbraw/zinc/31/51/50/647315150.db2.gz LENVIYYQQCXAHY-HUUCEWRRSA-N 1 0 262.397 2.310 20 10 CECDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2COC[C@@H]2O)cc1 ZINC000865666794 647414789 /nfs/dbraw/zinc/41/47/89/647414789.db2.gz NNWGQVPFGAWBIZ-SJORKVTESA-N 1 0 292.423 2.162 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H](O)C(F)(F)F ZINC000865711812 647434329 /nfs/dbraw/zinc/43/43/29/647434329.db2.gz RBBUYFJXUDIPQW-LHLIQPBNSA-N 1 0 283.677 2.447 20 10 CECDRO C[C@H](O)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000780786877 647470420 /nfs/dbraw/zinc/47/04/20/647470420.db2.gz OOMABHGYTBRZJW-UWVGGRQHSA-N 1 0 255.745 2.248 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](C)C[C@H](C)O)ccc1OC ZINC000782978038 647667711 /nfs/dbraw/zinc/66/77/11/647667711.db2.gz JQSVOWKGGTVFCL-STQMWFEESA-N 1 0 281.396 2.481 20 10 CECDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccccc1O ZINC000783506584 647722225 /nfs/dbraw/zinc/72/22/25/647722225.db2.gz YMDXVPKJKNECDE-RYUDHWBXSA-N 1 0 257.337 2.464 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@@H]1CCN(C2CCC2)C1=O ZINC000866659014 647858705 /nfs/dbraw/zinc/85/87/05/647858705.db2.gz GJJMFNNIDUODBI-QGZVFWFLSA-N 1 0 299.418 2.051 20 10 CECDRO CCOc1ccc(N(CCOCC[NH3+])CC2CC2)cc1 ZINC000866673479 647864368 /nfs/dbraw/zinc/86/43/68/647864368.db2.gz WTQUQTVYWKHXMG-UHFFFAOYSA-N 1 0 278.396 2.277 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@]2(C)CCO[C@H]2C)c1 ZINC000784641359 647871770 /nfs/dbraw/zinc/87/17/70/647871770.db2.gz XQAWSJTWWIVMJA-XHDPSFHLSA-N 1 0 265.353 2.448 20 10 CECDRO CC[N@H+](CCNC(=O)N[C@@H](C)c1ccccc1O)C(C)C ZINC000868218265 648075837 /nfs/dbraw/zinc/07/58/37/648075837.db2.gz CAYLZERXWDYPAW-ZDUSSCGKSA-N 1 0 293.411 2.483 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)c1 ZINC000787421157 648107855 /nfs/dbraw/zinc/10/78/55/648107855.db2.gz NYSXTZHEWFAARV-SMDDNHRTSA-N 1 0 293.363 2.174 20 10 CECDRO CCOc1ccc(C[NH2+][C@@]2(CC)CCOC2)c(O)c1 ZINC000791004564 648471806 /nfs/dbraw/zinc/47/18/06/648471806.db2.gz MUYNVOGJHCDBCB-HNNXBMFYSA-N 1 0 265.353 2.450 20 10 CECDRO FC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000792929337 648689074 /nfs/dbraw/zinc/68/90/74/648689074.db2.gz CAKKZVWAECIQGO-UHFFFAOYSA-N 1 0 264.344 2.115 20 10 CECDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000794218104 648841722 /nfs/dbraw/zinc/84/17/22/648841722.db2.gz GHUBHBQGIFQRJS-GFCCVEGCSA-N 1 0 294.395 2.256 20 10 CECDRO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1O)[C@@H](C)[NH3+] ZINC000870987672 648970715 /nfs/dbraw/zinc/97/07/15/648970715.db2.gz ABYMNZPBDCNQBV-UHIISALHSA-N 1 0 264.369 2.189 20 10 CECDRO C[C@@H](C(=O)N1Cc2cccc(O)c2C1)[NH+]1CCCCCC1 ZINC000871202941 649031354 /nfs/dbraw/zinc/03/13/54/649031354.db2.gz PNPOWEVKFVIJMK-ZDUSSCGKSA-N 1 0 288.391 2.499 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1C ZINC000873071102 649550866 /nfs/dbraw/zinc/55/08/66/649550866.db2.gz JEWNUYPNBRVLQO-OAHLLOKOSA-N 1 0 290.407 2.494 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000873156083 649573489 /nfs/dbraw/zinc/57/34/89/649573489.db2.gz OUTCVUOFXRYVIN-LLVKDONJSA-N 1 0 265.353 2.306 20 10 CECDRO CCOc1ccc(O)c(CN[C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873229912 649601117 /nfs/dbraw/zinc/60/11/17/649601117.db2.gz IVGLSJRFOSLHPC-CVEARBPZSA-N 1 0 276.380 2.165 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]C1CCC(O)CC1 ZINC000019918832 649677612 /nfs/dbraw/zinc/67/76/12/649677612.db2.gz QXIYEIZITHKHAU-UHFFFAOYSA-N 1 0 255.745 2.439 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](OC)C[C@@]2(C)CO)cc1 ZINC000879262684 651272828 /nfs/dbraw/zinc/27/28/28/651272828.db2.gz XTWRTBSNIYORMC-IRXDYDNUSA-N 1 0 292.423 2.114 20 10 CECDRO C[C@H]([NH2+]CCC(=O)Nc1cccnc1)c1ccccc1O ZINC000879650487 651335832 /nfs/dbraw/zinc/33/58/32/651335832.db2.gz CMJGFSKFGAXFFM-LBPRGKRZSA-N 1 0 285.347 2.467 20 10 CECDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651759 651336067 /nfs/dbraw/zinc/33/60/67/651336067.db2.gz JURGEQLKMRCNIW-SRVKXCTJSA-N 1 0 264.369 2.346 20 10 CECDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000128188093 651382419 /nfs/dbraw/zinc/38/24/19/651382419.db2.gz GTVBHBAFISVKRL-VXGBXAGGSA-N 1 0 255.745 2.295 20 10 CECDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccccc1O ZINC000883277005 652422134 /nfs/dbraw/zinc/42/21/34/652422134.db2.gz SODRYWFSHHGBRW-GXTWGEPZSA-N 1 0 275.348 2.487 20 10 CECDRO COC[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000131903950 652479788 /nfs/dbraw/zinc/47/97/88/652479788.db2.gz VQXGDXOPMRYJID-ZDUSSCGKSA-N 1 0 250.386 2.467 20 10 CECDRO C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000884309806 652790883 /nfs/dbraw/zinc/79/08/83/652790883.db2.gz GPVMILVBWSTSQZ-RISCZKNCSA-N 1 0 294.395 2.212 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C)c1 ZINC000135727415 652983799 /nfs/dbraw/zinc/98/37/99/652983799.db2.gz SPCHUVYPIXIMSN-NEPJUHHUSA-N 1 0 294.395 2.212 20 10 CECDRO CC(C)CNC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000135812092 652993333 /nfs/dbraw/zinc/99/33/33/652993333.db2.gz VFFHRZPPWAWOHM-CYBMUJFWSA-N 1 0 277.412 2.175 20 10 CECDRO COc1ccc(CNCC[C@H](C)[NH+](C)C)cc1C ZINC000697874465 806718462 /nfs/dbraw/zinc/71/84/62/806718462.db2.gz YXQPQRGGFXZYFR-ZDUSSCGKSA-N 1 0 250.386 2.433 20 10 CECDRO C/C=C(/C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001125448989 802773967 /nfs/dbraw/zinc/77/39/67/802773967.db2.gz CSUQAPVFFMWRTG-XGICHPGQSA-N 1 0 276.380 2.176 20 10 CECDRO OCCCCC[NH2+]Cc1c(O)cccc1Br ZINC000706804738 802837424 /nfs/dbraw/zinc/83/74/24/802837424.db2.gz OQBMCSVOQDGMTN-UHFFFAOYSA-N 1 0 288.185 2.407 20 10 CECDRO CC[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000723545751 802884407 /nfs/dbraw/zinc/88/44/07/802884407.db2.gz KUPDQAUYKDMVJQ-OCCSQVGLSA-N 1 0 276.380 2.301 20 10 CECDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000725002376 803390438 /nfs/dbraw/zinc/39/04/38/803390438.db2.gz VCNNEWGQSDPDAV-ATVVMRJVSA-N 1 0 298.180 2.158 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000690771728 803475469 /nfs/dbraw/zinc/47/54/69/803475469.db2.gz RHWMNUFDQSTMOI-MFKMUULPSA-N 1 0 251.301 2.142 20 10 CECDRO CCCO[C@@H]1CC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141028530 803666818 /nfs/dbraw/zinc/66/68/18/803666818.db2.gz SQRMZDDPEQRYRQ-GFCCVEGCSA-N 1 0 295.379 2.410 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC001118808233 815046689 /nfs/dbraw/zinc/04/66/89/815046689.db2.gz PNERKTMYFIPHAD-PAPYEOQZSA-N 1 0 291.391 2.378 20 10 CECDRO Oc1ccccc1C[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC000712701589 805413651 /nfs/dbraw/zinc/41/36/51/805413651.db2.gz NBPJIMVZYLPLLN-CYBMUJFWSA-N 1 0 263.337 2.168 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@H]1CO ZINC001232260976 807237729 /nfs/dbraw/zinc/23/77/29/807237729.db2.gz ULCYTCBWUOBLME-SKDRFNHKSA-N 1 0 285.771 2.344 20 10 CECDRO COc1cc(O)c(C[NH+]2CC(C3COC3)C2)cc1Cl ZINC001232266961 807238411 /nfs/dbraw/zinc/23/84/11/807238411.db2.gz TWLYBHWZPQCASP-UHFFFAOYSA-N 1 0 283.755 2.132 20 10 CECDRO CCN(Cc1cc(Cl)c(O)cc1O)[C@@H](C)C(=O)OC ZINC001232265053 807240013 /nfs/dbraw/zinc/24/00/13/807240013.db2.gz OACRVTFRVWKOBN-QMMMGPOBSA-N 1 0 287.743 2.135 20 10 CECDRO Cc1nc(N)ccc1C[N@@H+](C)Cc1ccccc1O ZINC001232343365 807255688 /nfs/dbraw/zinc/25/56/88/807255688.db2.gz WUNDXLKDSOQOSZ-UHFFFAOYSA-N 1 0 257.337 2.310 20 10 CECDRO CO[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232834714 807324100 /nfs/dbraw/zinc/32/41/00/807324100.db2.gz KGAMUOLRIQJGGX-CQSZACIVSA-N 1 0 264.369 2.069 20 10 CECDRO CN1CC2(CCC1=O)CC[NH+](Cc1ccccc1O)CC2 ZINC001272618074 807820433 /nfs/dbraw/zinc/82/04/33/807820433.db2.gz AUBHOUBAVUKBLN-UHFFFAOYSA-N 1 0 288.391 2.227 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)c1 ZINC000699834568 807865868 /nfs/dbraw/zinc/86/58/68/807865868.db2.gz ITQWYBAWCRTVTA-OUJBWJOFSA-N 1 0 251.326 2.086 20 10 CECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(OC)ccc1O ZINC000716915420 815159878 /nfs/dbraw/zinc/15/98/78/815159878.db2.gz KJYWECTXIMETTL-JQWIXIFHSA-N 1 0 253.342 2.040 20 10 CECDRO C[C@H]([NH3+])CN(C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001236908898 808183901 /nfs/dbraw/zinc/18/39/01/808183901.db2.gz NGGJJLVOESAUBN-NSHDSACASA-N 1 0 276.380 2.355 20 10 CECDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001120371081 815217904 /nfs/dbraw/zinc/21/79/04/815217904.db2.gz PHUJEKTZWGULQN-UHFFFAOYSA-N 1 0 289.423 2.397 20 10 CECDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922017133 809012206 /nfs/dbraw/zinc/01/22/06/809012206.db2.gz LOLIRIHJLIELMU-LSDHHAIUSA-N 1 0 261.365 2.261 20 10 CECDRO Cc1cnc(CN2CCCc3cc(C[NH3+])ccc32)o1 ZINC000700927120 809373348 /nfs/dbraw/zinc/37/33/48/809373348.db2.gz RIPDJXPLAZUFOZ-UHFFFAOYSA-N 1 0 257.337 2.395 20 10 CECDRO C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703327111 809638295 /nfs/dbraw/zinc/63/82/95/809638295.db2.gz GGTZPVWCGNBQNP-SNVBAGLBSA-N 1 0 270.323 2.102 20 10 CECDRO C[C@@H]1COCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703558473 809663070 /nfs/dbraw/zinc/66/30/70/809663070.db2.gz YKBUIRYCSDTGDV-VIFPVBQESA-N 1 0 257.280 2.139 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000704370984 809731268 /nfs/dbraw/zinc/73/12/68/809731268.db2.gz JFLJFPXRXNYNAY-SWLSCSKDSA-N 1 0 275.396 2.024 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)c1 ZINC000694591017 809762493 /nfs/dbraw/zinc/76/24/93/809762493.db2.gz QLWZERXJCDYRFJ-QWHCGFSZSA-N 1 0 297.420 2.319 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC2CC(O)C2)c1 ZINC000705245406 809776667 /nfs/dbraw/zinc/77/66/67/809776667.db2.gz OGLURPBRWTUFOI-UNXYVOJBSA-N 1 0 265.353 2.212 20 10 CECDRO CO[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706809513 809855812 /nfs/dbraw/zinc/85/58/12/809855812.db2.gz CSOQWCJMFFURHI-KYZUINATSA-N 1 0 286.169 2.422 20 10 CECDRO CC[C@@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000706852267 809858066 /nfs/dbraw/zinc/85/80/66/809858066.db2.gz ZHCDLTZQORKZBM-MRVPVSSYSA-N 1 0 274.158 2.015 20 10 CECDRO C[C@@H](CCO)[NH2+]Cc1c(O)cccc1Br ZINC000706846448 809858125 /nfs/dbraw/zinc/85/81/25/809858125.db2.gz ITYLADOTDFWPJP-QMMMGPOBSA-N 1 0 274.158 2.015 20 10 CECDRO COC[C@@H](CC[NH2+][C@H](C)c1cc(F)ccc1O)OC ZINC000710667689 810002495 /nfs/dbraw/zinc/00/24/95/810002495.db2.gz IGGUZHYUNHPWFQ-ZYHUDNBSSA-N 1 0 271.332 2.233 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC(C)(C)C(C)(C)O)c1 ZINC000393586584 810343938 /nfs/dbraw/zinc/34/39/38/810343938.db2.gz ALXNMGNZDULBFM-UHFFFAOYSA-N 1 0 267.369 2.288 20 10 CECDRO CC[C@@H]([NH2+]CCCn1cncn1)c1ccccc1O ZINC000381662642 810655458 /nfs/dbraw/zinc/65/54/58/810655458.db2.gz FBTSHTGLHFXOKY-CYBMUJFWSA-N 1 0 260.341 2.115 20 10 CECDRO CC(C)COCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172456404 815444749 /nfs/dbraw/zinc/44/47/49/815444749.db2.gz DQNUKRJPBVZJRD-WBMJQRKESA-N 1 0 297.395 2.172 20 10 CECDRO CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001169585696 811590575 /nfs/dbraw/zinc/59/05/75/811590575.db2.gz PNXWJGXHLSXWIF-BBRMVZONSA-N 1 0 289.423 2.414 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H](C)O ZINC000691486629 811958937 /nfs/dbraw/zinc/95/89/37/811958937.db2.gz AYITYVZVHNWVKC-KCJUWKMLSA-N 1 0 288.185 2.404 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(C)=O)cc1C ZINC001133431897 813055959 /nfs/dbraw/zinc/05/59/59/813055959.db2.gz LQTHRYNXIAOGRY-CHWSQXEVSA-N 1 0 278.396 2.396 20 10 CECDRO OC[C@H]([NH2+]Cc1cc(F)ccc1O)C1CCCC1 ZINC000386259055 813163005 /nfs/dbraw/zinc/16/30/05/813163005.db2.gz MHHOOVYGCRBVBK-ZDUSSCGKSA-N 1 0 253.317 2.172 20 10 CECDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)Cc1ccccc1O ZINC000387565001 813215142 /nfs/dbraw/zinc/21/51/42/813215142.db2.gz ZFWMCGPPDULKIS-ZDUSSCGKSA-N 1 0 278.396 2.375 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCCOC1 ZINC000388733967 813243172 /nfs/dbraw/zinc/24/31/72/813243172.db2.gz CGYHEYBMXXXAJW-MNOVXSKESA-N 1 0 253.317 2.436 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)[C@H]2CCCOC2)c1O ZINC000388841983 813243979 /nfs/dbraw/zinc/24/39/79/813243979.db2.gz UPUKCDMGUBIAGI-YPMHNXCESA-N 1 0 265.353 2.306 20 10 CECDRO Nc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000394555988 813423924 /nfs/dbraw/zinc/42/39/24/813423924.db2.gz FELFAEGQVFYMJV-OAHLLOKOSA-N 1 0 288.395 2.361 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@@H](C)O ZINC000395246903 813496302 /nfs/dbraw/zinc/49/63/02/813496302.db2.gz ARFWSYLZKTVYAV-BREBYQMCSA-N 1 0 253.342 2.211 20 10 CECDRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000395774481 813540857 /nfs/dbraw/zinc/54/08/57/813540857.db2.gz SPLFCSCTUYBRQJ-OAHLLOKOSA-N 1 0 291.439 2.393 20 10 CECDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CO1 ZINC000396581145 813575396 /nfs/dbraw/zinc/57/53/96/813575396.db2.gz HZKBYCXAFJHDNT-OAHLLOKOSA-N 1 0 290.407 2.180 20 10 CECDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000398093080 813657000 /nfs/dbraw/zinc/65/70/00/813657000.db2.gz STZMSSKAQBVMHY-WMLDXEAASA-N 1 0 290.407 2.180 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1O ZINC000398774039 813683548 /nfs/dbraw/zinc/68/35/48/813683548.db2.gz BCDLTAGMJSOHOC-JQWIXIFHSA-N 1 0 295.354 2.184 20 10 CECDRO Oc1cc(O)c(C[N@H+](C2CCC2)C2CCOCC2)c(O)c1 ZINC001144520141 814095598 /nfs/dbraw/zinc/09/55/98/814095598.db2.gz HHVMHZPNHCMHQZ-UHFFFAOYSA-N 1 0 293.363 2.337 20 10 CECDRO Cc1nc2c(s1)C[N@H+](Cc1c(O)cc(O)cc1O)CC2 ZINC001144509250 814098083 /nfs/dbraw/zinc/09/80/83/814098083.db2.gz QIANGWUQOBWESS-UHFFFAOYSA-N 1 0 292.360 2.127 20 10 CECDRO [NH3+][C@H]1CN(Cc2ccc(Cl)cc2O)CC(F)(F)C1 ZINC001206132018 814620910 /nfs/dbraw/zinc/62/09/10/814620910.db2.gz LWWOAHRYZQPGMB-SNVBAGLBSA-N 1 0 276.714 2.214 20 10 CECDRO CC[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccccc1O ZINC000714244780 814890327 /nfs/dbraw/zinc/89/03/27/814890327.db2.gz RNRRUJKEFCFPKX-NQBHXWOUSA-N 1 0 283.393 2.009 20 10 CECDRO CCSC[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001173286883 815670014 /nfs/dbraw/zinc/67/00/14/815670014.db2.gz DEZXURDNXFAPBR-SNVBAGLBSA-N 1 0 255.383 2.372 20 10 CECDRO CCC[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137839063 815694743 /nfs/dbraw/zinc/69/47/43/815694743.db2.gz PXUDACIUMGCKDM-UHFFFAOYSA-N 1 0 252.333 2.059 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CCCC1=O ZINC001138122530 815732107 /nfs/dbraw/zinc/73/21/07/815732107.db2.gz LEQPUTUJTLHVMF-SNVBAGLBSA-N 1 0 251.301 2.332 20 10 CECDRO CC(=O)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359590 815777686 /nfs/dbraw/zinc/77/76/86/815777686.db2.gz UZONTVDBGPPRFC-MRXNPFEDSA-N 1 0 272.392 2.480 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CO)C2)c(OC)c1 ZINC001138389307 815786184 /nfs/dbraw/zinc/78/61/84/815786184.db2.gz MAGHERNFZHQUBV-AWEZNQCLSA-N 1 0 292.423 2.356 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001140054966 816177985 /nfs/dbraw/zinc/17/79/85/816177985.db2.gz BMXQOGLSENEVRG-CQSZACIVSA-N 1 0 251.301 2.286 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)c1O ZINC001140178781 816204716 /nfs/dbraw/zinc/20/47/16/816204716.db2.gz XMNQHSJGFDUZTL-ZFWWWQNUSA-N 1 0 285.334 2.253 20 10 CECDRO Cc1ccc(C)c(CN2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC001140179784 816204852 /nfs/dbraw/zinc/20/48/52/816204852.db2.gz PAZYEWFIJXCAHE-AWEZNQCLSA-N 1 0 260.381 2.289 20 10 CECDRO CCOC(=O)C1C[NH+](Cc2c(C)ccc(C)c2O)C1 ZINC001140182696 816206021 /nfs/dbraw/zinc/20/60/21/816206021.db2.gz XNBPFWDFYVOZIN-UHFFFAOYSA-N 1 0 263.337 2.004 20 10 CECDRO C[N@@H+]1CC[C@H]2CN(Cc3c(O)cccc3Cl)C[C@H]21 ZINC001140341600 816238562 /nfs/dbraw/zinc/23/85/62/816238562.db2.gz YSQUOHPBLXVQTA-GXFFZTMASA-N 1 0 266.772 2.182 20 10 CECDRO C[C@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461148 816258718 /nfs/dbraw/zinc/25/87/18/816258718.db2.gz FKZJPQBGALHBGB-ZDUSSCGKSA-N 1 0 255.745 2.250 20 10 CECDRO O=C1NC[C@@]2(CCC[N@@H+](Cc3ccc(Cl)cc3O)C2)O1 ZINC001140464750 816260248 /nfs/dbraw/zinc/26/02/48/816260248.db2.gz BTLOOUQBIRBXRY-CQSZACIVSA-N 1 0 296.754 2.120 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c1 ZINC001140619729 816304821 /nfs/dbraw/zinc/30/48/21/816304821.db2.gz LWDPIMWNZBOJKY-NEPJUHHUSA-N 1 0 289.297 2.303 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC001140624500 816308218 /nfs/dbraw/zinc/30/82/18/816308218.db2.gz YNPPVUWWXKTCTN-CYBMUJFWSA-N 1 0 277.364 2.476 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)c1O ZINC001140744415 816340013 /nfs/dbraw/zinc/34/00/13/816340013.db2.gz WSLOLWBAKRDHOF-AWEZNQCLSA-N 1 0 291.391 2.391 20 10 CECDRO CO[C@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140748701 816343226 /nfs/dbraw/zinc/34/32/26/816343226.db2.gz IHHHPALHYIVPKF-ZDUSSCGKSA-N 1 0 265.353 2.407 20 10 CECDRO CN1CCOc2cc(C[N@H+](C)[C@H]3CC[C@H](O)CC3)ccc21 ZINC001141140993 816485413 /nfs/dbraw/zinc/48/54/13/816485413.db2.gz RIMBWDRZXABMKY-SHTZXODSSA-N 1 0 290.407 2.251 20 10 CECDRO CCO[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141144823 816485637 /nfs/dbraw/zinc/48/56/37/816485637.db2.gz LYZKAFMOPDQSRH-CQSZACIVSA-N 1 0 276.380 2.126 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3C[C@@H]4C[C@H]3C[C@H]4F)ccc21 ZINC001141142967 816485769 /nfs/dbraw/zinc/48/57/69/816485769.db2.gz IHRVZUFXLGHNML-MELADBBJSA-N 1 0 276.355 2.448 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC001141160905 816492172 /nfs/dbraw/zinc/49/21/72/816492172.db2.gz JHFJNPCCNISIME-HNNXBMFYSA-N 1 0 286.331 2.146 20 10 CECDRO CC(C)[N@H+](CCCCCO)Cc1cc(O)ccc1O ZINC001141162688 816492295 /nfs/dbraw/zinc/49/22/95/816492295.db2.gz ZUWDEAAHBMZJLC-UHFFFAOYSA-N 1 0 267.369 2.471 20 10 CECDRO C[N@H+](CCn1cc(Cl)cn1)Cc1ccccc1O ZINC000838893567 816556840 /nfs/dbraw/zinc/55/68/40/816556840.db2.gz DOFGAZQKCNPUJV-UHFFFAOYSA-N 1 0 265.744 2.374 20 10 CECDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(F)c(F)cc2O)C1 ZINC001142531031 816681556 /nfs/dbraw/zinc/68/15/56/816681556.db2.gz NZQARRBUYGYHKV-GFCCVEGCSA-N 1 0 282.334 2.339 20 10 CECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC001179148769 816838066 /nfs/dbraw/zinc/83/80/66/816838066.db2.gz VMFVRGDXUNQPEY-IAGOWNOFSA-N 1 0 288.391 2.116 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000038013624 361981195 /nfs/dbraw/zinc/98/11/95/361981195.db2.gz YKRZPQFRVKIPIC-RYUDHWBXSA-N 1 0 294.395 2.356 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCCO2)c1O ZINC000042812102 362121217 /nfs/dbraw/zinc/12/12/17/362121217.db2.gz MATQKMXIWKZHQB-ZDUSSCGKSA-N 1 0 265.353 2.450 20 10 CECDRO C[N@H+](CCn1cncn1)Cc1ccc(N2CCCCC2)cc1 ZINC000066155431 343708536 /nfs/dbraw/zinc/70/85/36/343708536.db2.gz PNDKDOOZJSLDMR-UHFFFAOYSA-N 1 0 299.422 2.400 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@H]3CCCCO3)CC2)cc1 ZINC000066313578 343710902 /nfs/dbraw/zinc/71/09/02/343710902.db2.gz LZHMDRDZNAZTJF-QGZVFWFLSA-N 1 0 290.407 2.386 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)NC1CC1 ZINC000076074216 343878533 /nfs/dbraw/zinc/87/85/33/343878533.db2.gz PCMMKBMVVWRZFB-GFCCVEGCSA-N 1 0 276.380 2.271 20 10 CECDRO Cc1ccc(O)c(C[N@H+](CCO)Cc2cccnc2)c1 ZINC000093086303 344213980 /nfs/dbraw/zinc/21/39/80/344213980.db2.gz NKEWOXJWIUWWDA-UHFFFAOYSA-N 1 0 272.348 2.090 20 10 CECDRO C[NH+](C)Cc1ccc(I)cc1O ZINC000584621733 344967068 /nfs/dbraw/zinc/96/70/68/344967068.db2.gz MYBYLKORRLLMEJ-UHFFFAOYSA-N 1 0 277.105 2.058 20 10 CECDRO Cc1cccc(N(C)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c1 ZINC000592484115 345359348 /nfs/dbraw/zinc/35/93/48/345359348.db2.gz KCHLGEVUWNBPQV-ZDUSSCGKSA-N 1 0 298.390 2.304 20 10 CECDRO Cc1cccc(N(C)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c1 ZINC000592484111 345359719 /nfs/dbraw/zinc/35/97/19/345359719.db2.gz KCHLGEVUWNBPQV-CYBMUJFWSA-N 1 0 298.390 2.304 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnccn1 ZINC000070477685 363089611 /nfs/dbraw/zinc/08/96/11/363089611.db2.gz SCVIYRPDSLBOIZ-LBPRGKRZSA-N 1 0 256.353 2.393 20 10 CECDRO COc1cccc(C[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000134155574 366293542 /nfs/dbraw/zinc/29/35/42/366293542.db2.gz RUFXKWSBZMKNBS-LLVKDONJSA-N 1 0 251.326 2.012 20 10 CECDRO COc1cccc(C[N@H+](C)C[C@@H]2CCCOC2)c1O ZINC000156030877 366825201 /nfs/dbraw/zinc/82/52/01/366825201.db2.gz TXLXWHXZJCRTMV-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000089729017 363996527 /nfs/dbraw/zinc/99/65/27/363996527.db2.gz ROMNGQXXKAVRHQ-CJNGLKHVSA-N 1 0 289.423 2.413 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000091928186 364072509 /nfs/dbraw/zinc/07/25/09/364072509.db2.gz DJLCDXSKEHYRHH-HOTGVXAUSA-N 1 0 277.364 2.080 20 10 CECDRO Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000237998076 370765401 /nfs/dbraw/zinc/76/54/01/370765401.db2.gz MCDUTFQNRRBCEI-BPNCWPANSA-N 1 0 259.353 2.128 20 10 CECDRO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccccc1O ZINC000179897699 368357208 /nfs/dbraw/zinc/35/72/08/368357208.db2.gz MDIOSSXPSZRYDN-NSHDSACASA-N 1 0 272.352 2.171 20 10 CECDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000179933110 368358424 /nfs/dbraw/zinc/35/84/24/368358424.db2.gz IQJHFZRCZAXGEH-CYBMUJFWSA-N 1 0 296.342 2.242 20 10 CECDRO Cc1cccc(C[N@H+]2CCC[C@@H]2c2nncn2C)c1O ZINC000180561741 368386641 /nfs/dbraw/zinc/38/66/41/368386641.db2.gz RSGWMZLEDJLPNI-CYBMUJFWSA-N 1 0 272.352 2.166 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C2(CO)CCC2)c1O ZINC000180935355 368405081 /nfs/dbraw/zinc/40/50/81/368405081.db2.gz ZDZWEUQLEFFSHZ-UHFFFAOYSA-N 1 0 255.745 2.359 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000187528949 369173804 /nfs/dbraw/zinc/17/38/04/369173804.db2.gz JNXVMRIKPNXQSY-ZDUSSCGKSA-N 1 0 277.320 2.207 20 10 CECDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](O)C(F)(F)F ZINC000189863877 369573500 /nfs/dbraw/zinc/57/35/00/369573500.db2.gz DICRVRBMPBDWOK-LLVKDONJSA-N 1 0 263.259 2.137 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCC[C@H]2CCO)c1O ZINC000189951089 369582085 /nfs/dbraw/zinc/58/20/85/369582085.db2.gz PJGPTFHBFWIAQV-AAEUAGOBSA-N 1 0 265.353 2.042 20 10 CECDRO OCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000189985579 369584963 /nfs/dbraw/zinc/58/49/63/369584963.db2.gz VYIHFUHXRYLIHP-HIFRSBDPSA-N 1 0 261.365 2.262 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000190304516 369611847 /nfs/dbraw/zinc/61/18/47/369611847.db2.gz MDAQKAMPHHCNAZ-FZMZJTMJSA-N 1 0 265.353 2.042 20 10 CECDRO CC[C@]1(C)C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000191153438 369685558 /nfs/dbraw/zinc/68/55/58/369685558.db2.gz UCXYDISFOVLTBK-OAHLLOKOSA-N 1 0 265.353 2.402 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@@H](C)[NH3+])cc1F ZINC000192111044 369773263 /nfs/dbraw/zinc/77/32/63/369773263.db2.gz YFNATPJORBYRFG-VXGBXAGGSA-N 1 0 295.402 2.271 20 10 CECDRO CCC[N@H+](CCN1CCO[C@H](C)C1)Cc1ccccc1O ZINC000192750047 369848581 /nfs/dbraw/zinc/84/85/81/369848581.db2.gz HUNWALNTWMPXDQ-OAHLLOKOSA-N 1 0 292.423 2.325 20 10 CECDRO [NH3+][C@H]1CC=C(C(=O)N2CCCCc3ccccc32)C1 ZINC000637935205 370181859 /nfs/dbraw/zinc/18/18/59/370181859.db2.gz PVPHXINQQYLIGS-AWEZNQCLSA-N 1 0 256.349 2.403 20 10 CECDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(OC)ccc1O ZINC000224810364 370282643 /nfs/dbraw/zinc/28/26/43/370282643.db2.gz AJPVDMBHSMMLPQ-CQSZACIVSA-N 1 0 253.342 2.042 20 10 CECDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1cc(F)ccc1O ZINC000231075719 370474728 /nfs/dbraw/zinc/47/47/28/370474728.db2.gz WJLLNCHNZPILGL-ZDUSSCGKSA-N 1 0 255.333 2.418 20 10 CECDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc(C)c1O ZINC000248846973 371255807 /nfs/dbraw/zinc/25/58/07/371255807.db2.gz PIEHNMUCQYYQEJ-YUELXQCFSA-N 1 0 289.375 2.474 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1OC ZINC000249132450 371298731 /nfs/dbraw/zinc/29/87/31/371298731.db2.gz DGIKIDRBKCJNIE-OUCADQQQSA-N 1 0 293.363 2.067 20 10 CECDRO COc1ccc(O)c(C[NH+]2CCC(n3cccn3)CC2)c1 ZINC000360466608 371516019 /nfs/dbraw/zinc/51/60/19/371516019.db2.gz NFAKHXPMJXEQPS-UHFFFAOYSA-N 1 0 287.363 2.434 20 10 CECDRO CCOc1cccc(C[NH2+]CC[C@@H](C)OC)c1O ZINC000263787528 371949065 /nfs/dbraw/zinc/94/90/65/371949065.db2.gz GVVUPTYFAJZKBK-LLVKDONJSA-N 1 0 253.342 2.306 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CCC(OC)CC2)c1 ZINC000271031300 373080147 /nfs/dbraw/zinc/08/01/47/373080147.db2.gz HLBBIKUEIXYESD-UHFFFAOYSA-N 1 0 265.353 2.402 20 10 CECDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)C(C)C)CC2)cc1 ZINC000368644060 373253764 /nfs/dbraw/zinc/25/37/64/373253764.db2.gz VFRHRAWBCRJZQU-QGZVFWFLSA-N 1 0 292.423 2.271 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1C ZINC000368963200 373302205 /nfs/dbraw/zinc/30/22/05/373302205.db2.gz IOSZHQATWLYBJD-DUVNUKRYSA-N 1 0 288.391 2.095 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(O)c1C ZINC000273444058 373757286 /nfs/dbraw/zinc/75/72/86/373757286.db2.gz ZJXMTRKCGDBIJT-STQMWFEESA-N 1 0 297.420 2.094 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(C)(CO)CC2)cc1F ZINC000273919097 373776454 /nfs/dbraw/zinc/77/64/54/373776454.db2.gz ZHFWPJNKABHGCD-UHFFFAOYSA-N 1 0 280.387 2.486 20 10 CECDRO CNC(=O)CCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273557642 373764615 /nfs/dbraw/zinc/76/46/15/373764615.db2.gz HCDOTNIVUMUEPH-LBPRGKRZSA-N 1 0 290.407 2.448 20 10 CECDRO Oc1ccccc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000371701454 373953306 /nfs/dbraw/zinc/95/33/06/373953306.db2.gz VKFGMCNNIPAJDE-UHFFFAOYSA-N 1 0 269.344 2.012 20 10 CECDRO CCC(CC)(CCO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000283081787 375650291 /nfs/dbraw/zinc/65/02/91/375650291.db2.gz RFCXNODZEWCHJO-UHFFFAOYSA-N 1 0 297.395 2.440 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)nn2C)c1 ZINC000284182516 375824497 /nfs/dbraw/zinc/82/44/97/375824497.db2.gz FVYNLAFWPXXCOX-LLVKDONJSA-N 1 0 275.352 2.294 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c(O)c1 ZINC000284859294 375831229 /nfs/dbraw/zinc/83/12/29/375831229.db2.gz AMYBFSDQSZVBGO-GFCCVEGCSA-N 1 0 297.420 2.237 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)c(O)c1 ZINC000285366512 375838386 /nfs/dbraw/zinc/83/83/86/375838386.db2.gz VUMKVGLTAOAZOP-VXGBXAGGSA-N 1 0 282.359 2.134 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1O ZINC000285655822 375842148 /nfs/dbraw/zinc/84/21/48/375842148.db2.gz YRKHMGYFWPYWDV-NEPJUHHUSA-N 1 0 265.353 2.163 20 10 CECDRO C[C@@H]([NH2+]CCN(C)C)c1cc(Br)ccc1O ZINC000286871797 376089858 /nfs/dbraw/zinc/08/98/58/376089858.db2.gz BVUBDMYWADYXRF-SECBINFHSA-N 1 0 287.201 2.367 20 10 CECDRO COc1cc(O)c(C[NH2+]CCC2(OC)CCC2)cc1OC ZINC000293703990 377711096 /nfs/dbraw/zinc/71/10/96/377711096.db2.gz RVGJIMZGQQWCIZ-UHFFFAOYSA-N 1 0 295.379 2.458 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCOC2(C)C)c1O ZINC000294741635 378017851 /nfs/dbraw/zinc/01/78/51/378017851.db2.gz HFDYQMGMDILXQL-LBPRGKRZSA-N 1 0 251.326 2.058 20 10 CECDRO Cc1cc(CN2CCC[C@]23CCOC3=O)ccc1N(C)C ZINC000294523972 377995407 /nfs/dbraw/zinc/99/54/07/377995407.db2.gz JHMKHCXDUSOBSF-QGZVFWFLSA-N 1 0 288.391 2.343 20 10 CECDRO C[N@H+](CCCCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000294583019 377998734 /nfs/dbraw/zinc/99/87/34/377998734.db2.gz GYVSKTUPFDXVAE-UHFFFAOYSA-N 1 0 261.724 2.389 20 10 CECDRO Cc1nccnc1CC[NH2+][C@@H](C)c1ccccc1O ZINC000295071809 378038397 /nfs/dbraw/zinc/03/83/97/378038397.db2.gz SCXTYYRKFJCDRG-NSHDSACASA-N 1 0 257.337 2.384 20 10 CECDRO Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000294833595 378022348 /nfs/dbraw/zinc/02/23/48/378022348.db2.gz SOSYDXXMGQKGSV-QGZVFWFLSA-N 1 0 297.402 2.377 20 10 CECDRO C[C@@H]1CN(C2CC2)CC[N@H+](Cc2ccccc2O)C1 ZINC000295576031 378219574 /nfs/dbraw/zinc/21/95/74/378219574.db2.gz BAHLUNSBESVMCM-ZDUSSCGKSA-N 1 0 260.381 2.308 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCN1CC=CCC1)CC2 ZINC000296616741 378593647 /nfs/dbraw/zinc/59/36/47/378593647.db2.gz YXIAQQOMAGNHKO-AWEZNQCLSA-N 1 0 258.365 2.231 20 10 CECDRO CCC(C)(C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298719934 378812471 /nfs/dbraw/zinc/81/24/71/378812471.db2.gz UOOPDOSZRGJXMW-UHFFFAOYSA-N 1 0 291.439 2.489 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@H](C)CO)CC2)cc1 ZINC000305131945 379652726 /nfs/dbraw/zinc/65/27/26/379652726.db2.gz NETHOEQIAHHIMV-UONOGXRCSA-N 1 0 292.423 2.271 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2ccc(OC)nc2)c1 ZINC000529660844 380182091 /nfs/dbraw/zinc/18/20/91/380182091.db2.gz GFEXFZARFNILFS-UHFFFAOYSA-N 1 0 288.347 2.137 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@@H]2C(C)C)c1O ZINC000530229816 380198337 /nfs/dbraw/zinc/19/83/37/380198337.db2.gz MNHMRSBBNFOHGS-OAHLLOKOSA-N 1 0 294.370 2.164 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)Cn2cccn2)c1O ZINC000228670950 394476443 /nfs/dbraw/zinc/47/64/43/394476443.db2.gz SPPVDJZQYBLEKM-SNVBAGLBSA-N 1 0 295.770 2.429 20 10 CECDRO Cc1cc(C(=O)NCC[NH3+])c(C)n1-c1cccc(Cl)c1 ZINC000237589904 394493003 /nfs/dbraw/zinc/49/30/03/394493003.db2.gz TUKNMPRKHIEFQF-UHFFFAOYSA-N 1 0 291.782 2.436 20 10 CECDRO COc1cccc(C[NH2+]Cc2cccc(OC)c2O)n1 ZINC000105460054 394721468 /nfs/dbraw/zinc/72/14/68/394721468.db2.gz UYRUDIXOCSHGNP-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO CCOc1cccc(C[NH2+][C@]2(C)CCOC2)c1O ZINC000120180249 394776128 /nfs/dbraw/zinc/77/61/28/394776128.db2.gz OWFTZGWKDGQWPP-CQSZACIVSA-N 1 0 251.326 2.060 20 10 CECDRO CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccccc1O ZINC000121107942 394792028 /nfs/dbraw/zinc/79/20/28/394792028.db2.gz YESDNKZCLXRIET-CYBMUJFWSA-N 1 0 297.420 2.258 20 10 CECDRO Cc1cccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000124577484 394838489 /nfs/dbraw/zinc/83/84/89/394838489.db2.gz HHEFTFDFYKPQPT-OAHLLOKOSA-N 1 0 260.381 2.371 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCCO[C@H](C)C2)c1O ZINC000134158983 394956364 /nfs/dbraw/zinc/95/63/64/394956364.db2.gz FLNNXAHQNAQPFG-GFCCVEGCSA-N 1 0 265.353 2.402 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000133110929 394944396 /nfs/dbraw/zinc/94/43/96/394944396.db2.gz PEESGMKIUUGAGP-NSHDSACASA-N 1 0 265.353 2.400 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1O ZINC000133113865 394945236 /nfs/dbraw/zinc/94/52/36/394945236.db2.gz PHUDOVWOSOFASB-LLVKDONJSA-N 1 0 265.353 2.400 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1 ZINC000368133342 394979411 /nfs/dbraw/zinc/97/94/11/394979411.db2.gz IQMKOZPALLAJOR-OAHLLOKOSA-N 1 0 284.407 2.476 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CN2CCCC[C@H]2CO1)c1ccccc1O ZINC000372933066 395050377 /nfs/dbraw/zinc/05/03/77/395050377.db2.gz YILLLNAQPXPUKV-KKUMJFAQSA-N 1 0 290.407 2.296 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@]2(CCOC2)O1 ZINC000373498533 395061968 /nfs/dbraw/zinc/06/19/68/395061968.db2.gz ZLLCVKPGRLYJJS-ABAIWWIYSA-N 1 0 297.782 2.425 20 10 CECDRO COc1ccc(O)c(C[NH2+]C2(C)CCOCC2)c1 ZINC000164770691 395086211 /nfs/dbraw/zinc/08/62/11/395086211.db2.gz SLQPQBNKSBTVHI-UHFFFAOYSA-N 1 0 251.326 2.060 20 10 CECDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)c(O)c1O ZINC000182423125 395241863 /nfs/dbraw/zinc/24/18/63/395241863.db2.gz FKFYULUECRDVRD-GFCCVEGCSA-N 1 0 292.379 2.010 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c(O)c1C ZINC000293708280 395247599 /nfs/dbraw/zinc/24/75/99/395247599.db2.gz MPGWQZJPEGYWMK-MJBXVCDLSA-N 1 0 279.380 2.200 20 10 CECDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179565706 395195310 /nfs/dbraw/zinc/19/53/10/395195310.db2.gz KWCZNHKCVNFCJA-CQSZACIVSA-N 1 0 290.407 2.376 20 10 CECDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000183060905 395250936 /nfs/dbraw/zinc/25/09/36/395250936.db2.gz UMUYRTXGBZPSBD-ZIAGYGMSSA-N 1 0 291.439 2.393 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@](C)(CCO)COC)c(O)c1 ZINC000175853428 400288749 /nfs/dbraw/zinc/28/87/49/400288749.db2.gz RPQRCTKOXDJYHD-INIZCTEOSA-N 1 0 297.395 2.058 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2(CCO)CCCC2)c1 ZINC000271767564 286338446 /nfs/dbraw/zinc/33/84/46/286338446.db2.gz ASLBLCMKWWSVIN-UHFFFAOYSA-N 1 0 279.380 2.433 20 10 CECDRO COCCOCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000020192902 171058696 /nfs/dbraw/zinc/05/86/96/171058696.db2.gz YQILXXQBMSTHLI-CYBMUJFWSA-N 1 0 267.369 2.404 20 10 CECDRO CN1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000037267113 173077129 /nfs/dbraw/zinc/07/71/29/173077129.db2.gz QRZDMZZRNPNJPL-UHFFFAOYSA-N 1 0 254.761 2.229 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000093611444 260522540 /nfs/dbraw/zinc/52/25/40/260522540.db2.gz KIKGAURDJBVFKY-CYBMUJFWSA-N 1 0 288.313 2.252 20 10 CECDRO Cc1cc(C(=O)NCC[NH3+])c(C)n1-c1ccc(Cl)cc1 ZINC000158625933 261167934 /nfs/dbraw/zinc/16/79/34/261167934.db2.gz YUEYWETZYHBOMV-UHFFFAOYSA-N 1 0 291.782 2.436 20 10 CECDRO CCCC[N@H+](CCO)Cc1cccc(OCC)c1O ZINC000159093200 261177662 /nfs/dbraw/zinc/17/76/62/261177662.db2.gz NOKRCXTYLFPSFH-UHFFFAOYSA-N 1 0 267.369 2.385 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000185787695 262070351 /nfs/dbraw/zinc/07/03/51/262070351.db2.gz OUNCJKXXZXSYOU-STQMWFEESA-N 1 0 276.380 2.362 20 10 CECDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186030541 262076447 /nfs/dbraw/zinc/07/64/47/262076447.db2.gz IYGPEZYADKMXMO-VHSXEESVSA-N 1 0 289.372 2.005 20 10 CECDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186030526 262076509 /nfs/dbraw/zinc/07/65/09/262076509.db2.gz IYGPEZYADKMXMO-NXEZZACHSA-N 1 0 289.372 2.005 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000122328795 262347794 /nfs/dbraw/zinc/34/77/94/262347794.db2.gz DVCJRSVYSXVPTC-UKRRQHHQSA-N 1 0 273.424 2.467 20 10 CECDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000276815690 263038034 /nfs/dbraw/zinc/03/80/34/263038034.db2.gz OQOPVEWTJGIVIX-NSHDSACASA-N 1 0 294.782 2.242 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)CCCO1 ZINC000281221159 263067247 /nfs/dbraw/zinc/06/72/47/263067247.db2.gz KKULIEDRAOIBHL-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+]2CCNC(=O)C[C@H]2C)c1O ZINC000367667623 267107294 /nfs/dbraw/zinc/10/72/94/267107294.db2.gz CBWUBRJDJFVOPC-SNVBAGLBSA-N 1 0 282.771 2.064 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000367681116 267108594 /nfs/dbraw/zinc/10/85/94/267108594.db2.gz CNRQHKBJZHCBQU-OSAQELSMSA-N 1 0 293.363 2.106 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000368041620 267141344 /nfs/dbraw/zinc/14/13/44/267141344.db2.gz UQHMMJKPLBSSGX-NTZNESFSSA-N 1 0 253.317 2.248 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1O ZINC000368133456 267146627 /nfs/dbraw/zinc/14/66/27/267146627.db2.gz URJYARALXSUHDQ-WMLDXEAASA-N 1 0 285.343 2.285 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCCOC3)OCO2 ZINC000368497152 267177706 /nfs/dbraw/zinc/17/77/06/267177706.db2.gz WAEBMVSZOYLFNU-INIZCTEOSA-N 1 0 291.347 2.123 20 10 CECDRO O=C1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H](C2CC2)N1 ZINC000370285886 267306829 /nfs/dbraw/zinc/30/68/29/267306829.db2.gz QOAYWTWUAJMRDL-IUODEOHRSA-N 1 0 294.782 2.192 20 10 CECDRO C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296686123 278301286 /nfs/dbraw/zinc/30/12/86/278301286.db2.gz GWVUHQMARXSWQO-WCQYABFASA-N 1 0 257.337 2.254 20 10 CECDRO C[C@H](CC[S@](C)=O)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296666488 279271774 /nfs/dbraw/zinc/27/17/74/279271774.db2.gz FPJAABBICDOWBD-MYFIVHGGSA-N 1 0 267.394 2.126 20 10 CECDRO Cc1cc(C[NH2+][C@@H](C(N)=O)C(C)(C)C)ccc1N(C)C ZINC000292701417 280492400 /nfs/dbraw/zinc/49/24/00/280492400.db2.gz DHVIRRBEHCXECM-AWEZNQCLSA-N 1 0 277.412 2.051 20 10 CECDRO Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1O ZINC000372635488 281216988 /nfs/dbraw/zinc/21/69/88/281216988.db2.gz BXXHANDARQYCEI-QGZVFWFLSA-N 1 0 288.391 2.145 20 10 CECDRO C[C@H](C[NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000054344781 298518309 /nfs/dbraw/zinc/51/83/09/298518309.db2.gz JKDHWFABQWBXFW-CQSZACIVSA-N 1 0 289.423 2.230 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375780 327839195 /nfs/dbraw/zinc/83/91/95/327839195.db2.gz XOCRHWQWKABQPJ-RBSFLKMASA-N 1 0 292.423 2.460 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375795 327839270 /nfs/dbraw/zinc/83/92/70/327839270.db2.gz XOCRHWQWKABQPJ-QLFBSQMISA-N 1 0 292.423 2.460 20 10 CECDRO CO[C@H](C)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000264948785 328163418 /nfs/dbraw/zinc/16/34/18/328163418.db2.gz JUKBUXOQIZPPRL-LLVKDONJSA-N 1 0 254.349 2.406 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CCCc3cn[nH]c32)c1 ZINC000271805912 328197395 /nfs/dbraw/zinc/19/73/95/328197395.db2.gz JXBJUYZSJRVZFY-ZDUSSCGKSA-N 1 0 273.336 2.291 20 10 CECDRO Cc1cccc(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)c1O ZINC000271867445 328198573 /nfs/dbraw/zinc/19/85/73/328198573.db2.gz RLWTXIMDOHMRCH-PZROIBLQSA-N 1 0 267.394 2.042 20 10 CECDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCOC1=O ZINC000282492349 328242355 /nfs/dbraw/zinc/24/23/55/328242355.db2.gz PXJKIWRYBLMCID-CYBMUJFWSA-N 1 0 263.337 2.310 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1O ZINC000291305049 328262882 /nfs/dbraw/zinc/26/28/82/328262882.db2.gz QZSNOUMAVOTZNC-GFCCVEGCSA-N 1 0 271.307 2.150 20 10 CECDRO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccccc1O ZINC000037166807 326918219 /nfs/dbraw/zinc/91/82/19/326918219.db2.gz XOYOXDGWMXHJJT-AWEZNQCLSA-N 1 0 250.386 2.458 20 10 CECDRO C[S@@](=O)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000296240968 327091320 /nfs/dbraw/zinc/09/13/20/327091320.db2.gz AUUXTQBWMRWVEP-HXPMCKFVSA-N 1 0 279.405 2.270 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)CC(C)(C)O)c1O ZINC000295121306 327607252 /nfs/dbraw/zinc/60/72/52/327607252.db2.gz WORQCSYONQONII-SNVBAGLBSA-N 1 0 253.342 2.040 20 10 CECDRO Cc1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1O ZINC000377706854 329026160 /nfs/dbraw/zinc/02/61/60/329026160.db2.gz ZHRJAIVLNYIQDY-HUUCEWRRSA-N 1 0 277.364 2.080 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCOC[C@@H]1CC(=O)OC ZINC000377870263 329032404 /nfs/dbraw/zinc/03/24/04/329032404.db2.gz TYZUZSNTAKEOMM-GXTWGEPZSA-N 1 0 293.363 2.107 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)NC3CC3)CC2)c1 ZINC000378333154 329046458 /nfs/dbraw/zinc/04/64/58/329046458.db2.gz ITGCIBZNMCSMNY-UHFFFAOYSA-N 1 0 288.391 2.191 20 10 CECDRO CCOc1cccc(CN2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1O ZINC000378526668 329054096 /nfs/dbraw/zinc/05/40/96/329054096.db2.gz QZULGKSNKOCKFX-ZFWWWQNUSA-N 1 0 290.407 2.317 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000226618156 329262270 /nfs/dbraw/zinc/26/22/70/329262270.db2.gz VCKXSESNABGUED-TZMCWYRMSA-N 1 0 251.301 2.188 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@]23C[C@H]2COC3(C)C)c1 ZINC000527767997 330281799 /nfs/dbraw/zinc/28/17/99/330281799.db2.gz ZNKQTUQTVFRJDM-BLLLJJGKSA-N 1 0 277.364 2.448 20 10 CECDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000527805199 330284376 /nfs/dbraw/zinc/28/43/76/330284376.db2.gz URIIXPUBTOFKPQ-DRNSDYETSA-N 1 0 279.336 2.022 20 10 CECDRO CCn1nncc1C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000527918867 330295306 /nfs/dbraw/zinc/29/53/06/330295306.db2.gz FJWAXRJOBBWWJW-BXKDBHETSA-N 1 0 290.342 2.481 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)c1ccsc1)OCO2 ZINC000152546075 330634197 /nfs/dbraw/zinc/63/41/97/330634197.db2.gz HAZMHWCNIUNTQQ-GFCCVEGCSA-N 1 0 293.344 2.006 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccccc1O ZINC000228089591 333294791 /nfs/dbraw/zinc/29/47/91/333294791.db2.gz LYKMPNWIGYGXEZ-GXTWGEPZSA-N 1 0 276.380 2.444 20 10 CECDRO CN1CCc2cc(C[NH2+][C@H]3CCO[C@@H]3C3CC3)ccc21 ZINC000230313371 333316381 /nfs/dbraw/zinc/31/63/81/333316381.db2.gz KJQBIHGNFLGNFL-DOTOQJQBSA-N 1 0 272.392 2.336 20 10 CECDRO CC[C@@H]([NH2+]CCC(=O)NC(C)C)c1ccccc1O ZINC000135734339 334137422 /nfs/dbraw/zinc/13/74/22/334137422.db2.gz ZKSMMQNWCGWBFX-CYBMUJFWSA-N 1 0 264.369 2.348 20 10 CECDRO Cc1cccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1O ZINC000252729576 334387624 /nfs/dbraw/zinc/38/76/24/334387624.db2.gz HHEFTFDFYKPQPT-HNNXBMFYSA-N 1 0 260.381 2.371 20 10 CECDRO CCC[N@H+](CCC(=O)N(C)C)Cc1ccccc1O ZINC000263925425 521628974 /nfs/dbraw/zinc/62/89/74/521628974.db2.gz YHKGGICTIYWZSX-UHFFFAOYSA-N 1 0 264.369 2.083 20 10 CECDRO CC(=O)NCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284160611 519660138 /nfs/dbraw/zinc/66/01/38/519660138.db2.gz PVIDIRKHYSSQQX-LBPRGKRZSA-N 1 0 264.369 2.186 20 10 CECDRO CCCOc1ccc(C[N@@H+]2C[C@@H](F)C[C@@H]2CO)c(O)c1 ZINC000364846788 520352093 /nfs/dbraw/zinc/35/20/93/520352093.db2.gz VINMQWFNWNCMAE-QWHCGFSZSA-N 1 0 283.343 2.086 20 10 CECDRO CCCOc1ccc(C[NH2+]CCc2cn[nH]c2)c(O)c1 ZINC000289981486 520365817 /nfs/dbraw/zinc/36/58/17/520365817.db2.gz WVNLLYBONGOMJD-UHFFFAOYSA-N 1 0 275.352 2.236 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CCCO)cc1 ZINC000265968881 520892721 /nfs/dbraw/zinc/89/27/21/520892721.db2.gz ULILQGAAXYNXRQ-UHFFFAOYSA-N 1 0 250.386 2.347 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)CCC[NH3+])cc1F ZINC000236906108 520895245 /nfs/dbraw/zinc/89/52/45/520895245.db2.gz PYVUPCLZYWMUQO-UHFFFAOYSA-N 1 0 281.375 2.027 20 10 CECDRO CC1CCN(CC[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000040445342 521013729 /nfs/dbraw/zinc/01/37/29/521013729.db2.gz RHJHLPKLPYVCQN-UHFFFAOYSA-N 1 0 274.408 2.443 20 10 CECDRO CCOc1cccc(C[NH2+]CCCn2ccnc2C)c1O ZINC000263711891 521362461 /nfs/dbraw/zinc/36/24/61/521362461.db2.gz UQEIMAMINRROKQ-UHFFFAOYSA-N 1 0 289.379 2.476 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2OC)c1O ZINC000274965496 521374010 /nfs/dbraw/zinc/37/40/10/521374010.db2.gz VFQNHEVUTMQPNM-XNRPHZJLSA-N 1 0 295.379 2.073 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192026917 521689434 /nfs/dbraw/zinc/68/94/34/521689434.db2.gz DFRKFSOZBAYXEJ-RYUDHWBXSA-N 1 0 264.369 2.114 20 10 CECDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC000292848789 521744450 /nfs/dbraw/zinc/74/44/50/521744450.db2.gz BQNMGPPSEFQMTP-HNNXBMFYSA-N 1 0 295.402 2.142 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2(N(C)C)CCC2)cc1F ZINC000275582653 522205235 /nfs/dbraw/zinc/20/52/35/522205235.db2.gz IEIAJYPFAXLVIN-UHFFFAOYSA-N 1 0 279.403 2.466 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCCCCO)cc1F ZINC000279908125 522205556 /nfs/dbraw/zinc/20/55/56/522205556.db2.gz HLRATAPJTIGAKP-UHFFFAOYSA-N 1 0 254.349 2.144 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H](CO)C(C)(C)C)cc1F ZINC000278461531 522211815 /nfs/dbraw/zinc/21/18/15/522211815.db2.gz FBLAXCZWXRHXMT-CQSZACIVSA-N 1 0 268.376 2.388 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000278757340 522749941 /nfs/dbraw/zinc/74/99/41/522749941.db2.gz WZOCXDAUIKYBJL-HOTGVXAUSA-N 1 0 278.396 2.036 20 10 CECDRO CCn1nccc1CC[N@H+](C)Cc1ccccc1O ZINC000276320521 523711764 /nfs/dbraw/zinc/71/17/64/523711764.db2.gz OPKKFDRZOPLQOV-UHFFFAOYSA-N 1 0 259.353 2.283 20 10 CECDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)c2cc(OC)ccc2O)C1 ZINC000368794276 523835396 /nfs/dbraw/zinc/83/53/96/523835396.db2.gz ASZNHWVCSUBYRE-ZBEGNZNMSA-N 1 0 293.363 2.347 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617746 523968745 /nfs/dbraw/zinc/96/87/45/523968745.db2.gz AAVGUNQUIHHKLH-QWRGUYRKSA-N 1 0 282.359 2.487 20 10 CECDRO Cc1cccc(C[N@H+](C)CCN2CCOC(C)(C)C2)c1O ZINC000279398018 524374806 /nfs/dbraw/zinc/37/48/06/524374806.db2.gz KSSXQTXZPXQALI-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1O ZINC000290414345 524379943 /nfs/dbraw/zinc/37/99/43/524379943.db2.gz KFYQRUKATXVDGR-HIFRSBDPSA-N 1 0 262.397 2.473 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1 ZINC000290986793 524756243 /nfs/dbraw/zinc/75/62/43/524756243.db2.gz UQSJAAGHSHVJSR-OAHLLOKOSA-N 1 0 279.380 2.288 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)CC(C)C)c1 ZINC000040774038 524765532 /nfs/dbraw/zinc/76/55/32/524765532.db2.gz KNIBODOAPATVDJ-NEPJUHHUSA-N 1 0 267.369 2.458 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC[C@H](C)O)c1 ZINC000228044709 524768429 /nfs/dbraw/zinc/76/84/29/524768429.db2.gz WMACOPKNVDSJBC-QWRGUYRKSA-N 1 0 253.342 2.212 20 10 CECDRO C[C@H](Cn1cccn1)[NH2+]Cc1c(O)cccc1Cl ZINC000083551844 524778930 /nfs/dbraw/zinc/77/89/30/524778930.db2.gz BROBCFILJVMNCF-SNVBAGLBSA-N 1 0 265.744 2.420 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1O ZINC000280200217 524869584 /nfs/dbraw/zinc/86/95/84/524869584.db2.gz BGRWLRKZCUFOLT-AAEUAGOBSA-N 1 0 299.798 2.089 20 10 CECDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000290364722 525338132 /nfs/dbraw/zinc/33/81/32/525338132.db2.gz HBPSFSKQBPYTCX-DZGCQCFKSA-N 1 0 262.397 2.473 20 10 CECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccnc1 ZINC000042879453 525433230 /nfs/dbraw/zinc/43/32/30/525433230.db2.gz LNICXYFYIJHQAP-JTQLQIEISA-N 1 0 272.304 2.367 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c(O)c1C ZINC000278866547 525925791 /nfs/dbraw/zinc/92/57/91/525925791.db2.gz RODYTVFOEVUZMX-ZENOOKHLSA-N 1 0 279.380 2.200 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncnn2C)c(O)c1 ZINC000276696582 525944408 /nfs/dbraw/zinc/94/44/08/525944408.db2.gz VJSYLONPISXSBX-WDEREUQCSA-N 1 0 260.341 2.241 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000280671162 525956136 /nfs/dbraw/zinc/95/61/36/525956136.db2.gz UFRRUVLAUYDFAW-IAQYHMDHSA-N 1 0 277.364 2.400 20 10 CECDRO COc1cccc(C[NH2+]CCc2ccc(O)cc2)c1O ZINC000040735288 526015768 /nfs/dbraw/zinc/01/57/68/526015768.db2.gz SFJSNUYLQIZYOH-UHFFFAOYSA-N 1 0 273.332 2.439 20 10 CECDRO COc1cccc(C[NH2+][C@@H](CO)CC2CCC2)c1O ZINC000279851474 526031415 /nfs/dbraw/zinc/03/14/15/526031415.db2.gz RUDLQMRDEUGFOC-CYBMUJFWSA-N 1 0 265.353 2.042 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000277475162 526374069 /nfs/dbraw/zinc/37/40/69/526374069.db2.gz KWXZLNHZESGJGL-HNNXBMFYSA-N 1 0 260.381 2.499 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000729512192 574488927 /nfs/dbraw/zinc/48/89/27/574488927.db2.gz CSZSAJCCRPSQGU-OAHLLOKOSA-N 1 0 289.423 2.053 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2CCN(C)C2)ccc1OC ZINC000729681804 574490577 /nfs/dbraw/zinc/49/05/77/574490577.db2.gz JQTINDQEKWUMHQ-HNNXBMFYSA-N 1 0 278.396 2.025 20 10 CECDRO O=C(C[NH2+]Cc1c(O)cccc1Cl)NC1CCCC1 ZINC000733327730 574664361 /nfs/dbraw/zinc/66/43/61/574664361.db2.gz FPWBRKPHCIYFDI-UHFFFAOYSA-N 1 0 282.771 2.194 20 10 CECDRO COCC(C)(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733327026 574664372 /nfs/dbraw/zinc/66/43/72/574664372.db2.gz LCXHDFXZMIOYRI-UHFFFAOYSA-N 1 0 254.349 2.406 20 10 CECDRO COC[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000739874805 574935276 /nfs/dbraw/zinc/93/52/76/574935276.db2.gz XLHLOICULGZOPY-GFCCVEGCSA-N 1 0 261.365 2.349 20 10 CECDRO CCCC[N@H+](CC(N)=O)Cc1ccc(N(C)CC)cc1 ZINC000741754709 574996517 /nfs/dbraw/zinc/99/65/17/574996517.db2.gz VZUKXIYLYFEJJP-UHFFFAOYSA-N 1 0 277.412 2.230 20 10 CECDRO Cc1cc(O)c(C[NH2+]C2CCC(C(N)=O)CC2)cc1C ZINC000742371013 575017351 /nfs/dbraw/zinc/01/73/51/575017351.db2.gz FPVQPQNFGSLOQF-UHFFFAOYSA-N 1 0 276.380 2.143 20 10 CECDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cccc(OC)c1O ZINC000743499639 575105305 /nfs/dbraw/zinc/10/53/05/575105305.db2.gz LKMNZKXEPWSJTC-DGCLKSJQSA-N 1 0 267.369 2.288 20 10 CECDRO Oc1cc2c(cc1C[N@H+]1C[C@H]3CC[C@@H](C1)O3)CCC2 ZINC000744435317 575121161 /nfs/dbraw/zinc/12/11/61/575121161.db2.gz DZACJLDRJOQHMS-GASCZTMLSA-N 1 0 259.349 2.244 20 10 CECDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000749564405 575225678 /nfs/dbraw/zinc/22/56/78/575225678.db2.gz VHDVGCOAUUOYTQ-INIZCTEOSA-N 1 0 289.423 2.243 20 10 CECDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000125551539 649939330 /nfs/dbraw/zinc/93/93/30/649939330.db2.gz UBWSBBQJLQMDMR-KRWDZBQOSA-N 1 0 290.407 2.134 20 10 CECDRO COc1ccc(C[NH2+]CC2CC(NC(C)=O)C2)cc1C ZINC000961441618 617257517 /nfs/dbraw/zinc/25/75/17/617257517.db2.gz FBGSELLDCQXWMI-UHFFFAOYSA-N 1 0 276.380 2.008 20 10 CECDRO CCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000966203702 614802604 /nfs/dbraw/zinc/80/26/04/614802604.db2.gz KGXMPTLTJRPXSR-OAHLLOKOSA-N 1 0 290.407 2.494 20 10 CECDRO COc1ccc(C[NH2+]CCCOCC2CC2)c(O)c1OC ZINC000892461999 625527721 /nfs/dbraw/zinc/52/77/21/625527721.db2.gz LNDSOIPFHLMJBX-UHFFFAOYSA-N 1 0 295.379 2.316 20 10 CECDRO Oc1ccccc1C[N@@H+](Cc1cncnc1)C[C@@H]1CCCO1 ZINC000160167535 622546985 /nfs/dbraw/zinc/54/69/85/622546985.db2.gz MKZCUVFNPFDPEK-INIZCTEOSA-N 1 0 299.374 2.363 20 10 CECDRO CC[C@@H]1COCC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000160233185 622579317 /nfs/dbraw/zinc/57/93/17/622579317.db2.gz BFBLMAPIYXPJFX-CYBMUJFWSA-N 1 0 265.353 2.320 20 10 CECDRO CC[C@H]1COCC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000160233300 622579756 /nfs/dbraw/zinc/57/97/56/622579756.db2.gz BFBLMAPIYXPJFX-ZDUSSCGKSA-N 1 0 265.353 2.320 20 10 CECDRO C[C@H](CC[NH2+][C@@H](C)c1cc(F)ccc1O)[S@](C)=O ZINC000252811511 622587747 /nfs/dbraw/zinc/58/77/47/622587747.db2.gz OPWIJMGPPRFUTA-JJQCHNSYSA-N 1 0 273.373 2.339 20 10 CECDRO COc1cc(C[N@@H+]2CCN(C)C[C@@H]2C(C)C)c(O)cc1C ZINC000160279142 622943054 /nfs/dbraw/zinc/94/30/54/622943054.db2.gz HZZJASZBRDYKRO-OAHLLOKOSA-N 1 0 292.423 2.481 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)OC)c1O ZINC000846143952 623355210 /nfs/dbraw/zinc/35/52/10/623355210.db2.gz BJBKHJZRCUSWIP-SNVBAGLBSA-N 1 0 253.342 2.476 20 10 CECDRO COC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000307785871 623360583 /nfs/dbraw/zinc/36/05/83/623360583.db2.gz SCBWOGWTNKARAW-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000933287313 623592026 /nfs/dbraw/zinc/59/20/26/623592026.db2.gz XCEFUBPOPATHCD-HNNXBMFYSA-N 1 0 289.423 2.147 20 10 CECDRO CC[C@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@H](C)O1 ZINC000891806054 623984403 /nfs/dbraw/zinc/98/44/03/623984403.db2.gz VSTXHFZACINORZ-AAEUAGOBSA-N 1 0 295.379 2.409 20 10 CECDRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](C)c1ccccc1O ZINC000892037920 624266610 /nfs/dbraw/zinc/26/66/10/624266610.db2.gz PBBYBOUDMBJUKF-NEPJUHHUSA-N 1 0 279.384 2.126 20 10 CECDRO COc1ccc(C[N@@H+]2CCSC[C@@H]2C)c(O)c1OC ZINC000892046714 624274003 /nfs/dbraw/zinc/27/40/03/624274003.db2.gz WRLAZUQCZBXITI-JTQLQIEISA-N 1 0 283.393 2.347 20 10 CECDRO C[C@@H](NC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000892159223 624368749 /nfs/dbraw/zinc/36/87/49/624368749.db2.gz 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VDNJBQLIPFJKDH-CQSZACIVSA-N 1 0 275.348 2.032 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CCCc2cnn(C)n2)c1O ZINC000816638395 633454395 /nfs/dbraw/zinc/45/43/95/633454395.db2.gz KOFLDQIXNBKGIC-UHFFFAOYSA-N 1 0 294.786 2.205 20 10 CECDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000817280913 633618098 /nfs/dbraw/zinc/61/80/98/633618098.db2.gz FEWJYFDGQFSARK-UKRRQHHQSA-N 1 0 262.397 2.203 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)cc1 ZINC000817288469 633619982 /nfs/dbraw/zinc/61/99/82/633619982.db2.gz JJHJCLYEJBXXPM-CZUORRHYSA-N 1 0 262.397 2.488 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000817413491 633652195 /nfs/dbraw/zinc/65/21/95/633652195.db2.gz YEYDYRIECPRQMA-MRXNPFEDSA-N 1 0 292.423 2.033 20 10 CECDRO C[NH2+]CCc1ccccc1C(=O)NCCc1ccc(N)cc1 ZINC000817859150 633745835 /nfs/dbraw/zinc/74/58/35/633745835.db2.gz VQOBFBAMBCLSEY-UHFFFAOYSA-N 1 0 297.402 2.003 20 10 CECDRO CC[C@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]1 ZINC000817902042 633763179 /nfs/dbraw/zinc/76/31/79/633763179.db2.gz HHJUVHZOMGAHTG-GJZGRUSLSA-N 1 0 260.381 2.242 20 10 CECDRO C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817942163 633790103 /nfs/dbraw/zinc/79/01/03/633790103.db2.gz XMPJMWMKSLIYNG-FOGDFJRCSA-N 1 0 264.344 2.421 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000817941454 633790180 /nfs/dbraw/zinc/79/01/80/633790180.db2.gz JVCWJZCDDNWFIC-CXAGYDPISA-N 1 0 291.439 2.157 20 10 CECDRO Cc1cc(Br)cc([C@H](C)N[C@H]2CC[NH2+]C2)c1O ZINC000817944989 633792363 /nfs/dbraw/zinc/79/23/63/633792363.db2.gz QUYBGIWGOTXVMP-ONGXEEELSA-N 1 0 299.212 2.476 20 10 CECDRO C[NH2+]CCN[C@@H](C)c1ccc(Br)cc1O ZINC000817952163 633796446 /nfs/dbraw/zinc/79/64/46/633796446.db2.gz OFJURJXXBYFYOQ-QMMMGPOBSA-N 1 0 273.174 2.025 20 10 CECDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cc2n(n1)CCC2 ZINC000817956738 633799665 /nfs/dbraw/zinc/79/96/65/633799665.db2.gz BNRAOWLIBHFUPW-LBPRGKRZSA-N 1 0 270.380 2.305 20 10 CECDRO Cn1ccnc1[C@@H]([NH2+]CCc1ccc(N)cc1)C1CC1 ZINC000817958529 633801388 /nfs/dbraw/zinc/80/13/88/633801388.db2.gz WTAMAIQPILAMAX-HNNXBMFYSA-N 1 0 270.380 2.286 20 10 CECDRO COC[C@]1(CN[C@H](C)c2cc(C)ccc2O)CCC[NH2+]1 ZINC000817975146 633819020 /nfs/dbraw/zinc/81/90/20/633819020.db2.gz RCBPZOXTQCYMOW-CZUORRHYSA-N 1 0 278.396 2.120 20 10 CECDRO C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817977287 633820199 /nfs/dbraw/zinc/82/01/99/633820199.db2.gz GSBQWPLCSUFZEM-UWVGGRQHSA-N 1 0 267.329 2.078 20 10 CECDRO C[C@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817977750 633821090 /nfs/dbraw/zinc/82/10/90/633821090.db2.gz OCIQQWVBASRZCU-AVGNSLFASA-N 1 0 295.402 2.049 20 10 CECDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CCOCC3)C2)cc1 ZINC000818221083 633887695 /nfs/dbraw/zinc/88/76/95/633887695.db2.gz LDTXYNRDBAANQM-AWEZNQCLSA-N 1 0 290.407 2.290 20 10 CECDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000822739273 634984555 /nfs/dbraw/zinc/98/45/55/634984555.db2.gz CIOIZGBJYYLDLX-CYBMUJFWSA-N 1 0 276.380 2.223 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCOC13CCOCC3)CC2 ZINC000903391149 635087991 /nfs/dbraw/zinc/08/79/91/635087991.db2.gz WFTOZEYGIMKFIT-ZFWWWQNUSA-N 1 0 289.375 2.307 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)CC2 ZINC000903441166 635120602 /nfs/dbraw/zinc/12/06/02/635120602.db2.gz YJMAWVJKXLDFIG-BFHYXJOUSA-N 1 0 259.349 2.394 20 10 CECDRO COc1ccc(N(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1F ZINC000903733452 635250540 /nfs/dbraw/zinc/25/05/40/635250540.db2.gz KKZAGKKEKZZTEP-XJKSGUPXSA-N 1 0 294.370 2.039 20 10 CECDRO COc1ccc(N(C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1F ZINC000903733451 635250710 /nfs/dbraw/zinc/25/07/10/635250710.db2.gz KKZAGKKEKZZTEP-CZUORRHYSA-N 1 0 294.370 2.039 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000824006404 635321089 /nfs/dbraw/zinc/32/10/89/635321089.db2.gz BKSGQLROWWKDSK-HAQNSBGRSA-N 1 0 265.353 2.042 20 10 CECDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000824708873 635482007 /nfs/dbraw/zinc/48/20/07/635482007.db2.gz KZFHZAWRZCCVIX-FZMZJTMJSA-N 1 0 299.798 2.495 20 10 CECDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000824708397 635482163 /nfs/dbraw/zinc/48/21/63/635482163.db2.gz GCLBFIPHHSRGFR-YGRLFVJLSA-N 1 0 285.771 2.187 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCc1ncccc1C ZINC000824794816 635499938 /nfs/dbraw/zinc/49/99/38/635499938.db2.gz JEIWBRIXHPMCME-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO Oc1ccccc1C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000824805517 635500803 /nfs/dbraw/zinc/50/08/03/635500803.db2.gz LDQSJKLAFZGPQD-UHFFFAOYSA-N 1 0 287.338 2.249 20 10 CECDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)c1O ZINC000824914315 635523980 /nfs/dbraw/zinc/52/39/80/635523980.db2.gz PEJWYBNYCOQCAD-CQSZACIVSA-N 1 0 297.420 2.100 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c(O)c1 ZINC000825061177 635555293 /nfs/dbraw/zinc/55/52/93/635555293.db2.gz BFSLHKIXSZELBA-SWLSCSKDSA-N 1 0 279.380 2.432 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2COCC2(C)C)c1 ZINC000825090852 635563118 /nfs/dbraw/zinc/56/31/18/635563118.db2.gz KNHBSWLKOUXCIJ-AWEZNQCLSA-N 1 0 265.353 2.306 20 10 CECDRO CCCc1ncc(C[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000825086961 635563529 /nfs/dbraw/zinc/56/35/29/635563529.db2.gz WWRJFDMJVLVZKG-UHFFFAOYSA-N 1 0 290.319 2.351 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCC[C@H]1CCOC1 ZINC000825134090 635576392 /nfs/dbraw/zinc/57/63/92/635576392.db2.gz UYQIKOVARYMCQZ-LBPRGKRZSA-N 1 0 265.353 2.307 20 10 CECDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccc2c(c1)CCCO2 ZINC000904358324 635590291 /nfs/dbraw/zinc/59/02/91/635590291.db2.gz LFBSDQOFSGFXSN-OAHLLOKOSA-N 1 0 262.397 2.475 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)c1 ZINC000825232281 635594906 /nfs/dbraw/zinc/59/49/06/635594906.db2.gz QREDLEOARCDIJL-UHIISALHSA-N 1 0 265.353 2.212 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H](C)CO)cc1Cl ZINC000825297702 635607748 /nfs/dbraw/zinc/60/77/48/635607748.db2.gz LHFZXYACTHRGIC-VHSXEESVSA-N 1 0 257.761 2.461 20 10 CECDRO C[C@H]1C[C@@H](O)C[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825316908 635613902 /nfs/dbraw/zinc/61/39/02/635613902.db2.gz YAJUIJIMOCYMFL-DTWKUNHWSA-N 1 0 273.735 2.387 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](CCCO)C2)c1O ZINC000825338885 635619878 /nfs/dbraw/zinc/61/98/78/635619878.db2.gz WXLZVKJKIHBDKY-CYBMUJFWSA-N 1 0 279.380 2.385 20 10 CECDRO COc1ccc(O)c(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000825338962 635620025 /nfs/dbraw/zinc/62/00/25/635620025.db2.gz XDBGBZBQMPSQIP-CQSZACIVSA-N 1 0 278.396 2.315 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H]2CN(C)CCO2)cc1Cl ZINC000825357519 635624701 /nfs/dbraw/zinc/62/47/01/635624701.db2.gz GJJADXAFSATVMF-IAQYHMDHSA-N 1 0 298.814 2.163 20 10 CECDRO CC1(C)C[NH2+]C[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000904461639 635633992 /nfs/dbraw/zinc/63/39/92/635633992.db2.gz LAVSSJOOSWBZJR-HNNXBMFYSA-N 1 0 260.381 2.099 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC000904461635 635634441 /nfs/dbraw/zinc/63/44/41/635634441.db2.gz KZRQRIUXCPCMBA-RHSMWYFYSA-N 1 0 284.359 2.115 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](O)C2CC2)cc1Cl ZINC000825916603 635731059 /nfs/dbraw/zinc/73/10/59/635731059.db2.gz QNNRWSBPMMLOQT-ZDUSSCGKSA-N 1 0 255.745 2.215 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cnn2c1CCC2 ZINC000826139792 635765464 /nfs/dbraw/zinc/76/54/64/635765464.db2.gz OIHPBFLNMANKCI-UHFFFAOYSA-N 1 0 277.755 2.478 20 10 CECDRO CC[C@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000905088679 635802145 /nfs/dbraw/zinc/80/21/45/635802145.db2.gz KDBGMAPZSRDIKB-ZDUSSCGKSA-N 1 0 289.297 2.415 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826845315 635859121 /nfs/dbraw/zinc/85/91/21/635859121.db2.gz ITFALIQXEGEFTJ-NSHDSACASA-N 1 0 292.770 2.159 20 10 CECDRO COC[C@H]([NH2+]Cc1cc(F)ccc1O)C1CCOCC1 ZINC000826872869 635867606 /nfs/dbraw/zinc/86/76/06/635867606.db2.gz ZCAURXKRITUXLR-AWEZNQCLSA-N 1 0 283.343 2.063 20 10 CECDRO CO[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000826952050 636170137 /nfs/dbraw/zinc/17/01/37/636170137.db2.gz FNNRKXFUQRKJNP-OAHLLOKOSA-N 1 0 299.798 2.327 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C1(CO)CC1 ZINC000826991242 636179612 /nfs/dbraw/zinc/17/96/12/636179612.db2.gz XGCXEVDCOVXETG-CYBMUJFWSA-N 1 0 262.397 2.312 20 10 CECDRO [NH3+]CCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000827004185 636185191 /nfs/dbraw/zinc/18/51/91/636185191.db2.gz AXPDLIAICDIHNK-UHFFFAOYSA-N 1 0 275.396 2.032 20 10 CECDRO O=C1CC[C@H]2C[N@H+](Cc3c(O)cccc3Cl)CC[C@@H]2N1 ZINC000827133906 636229678 /nfs/dbraw/zinc/22/96/78/636229678.db2.gz XUHDXGXXWROJPD-GWCFXTLKSA-N 1 0 294.782 2.146 20 10 CECDRO CCOc1cccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1O ZINC000827152350 636239689 /nfs/dbraw/zinc/23/96/89/636239689.db2.gz SIYGDOSHOZQFSW-RYUDHWBXSA-N 1 0 279.380 2.240 20 10 CECDRO OCCOCC[N@H+](Cc1cc(Cl)ccc1O)C1CCC1 ZINC000827210901 636257620 /nfs/dbraw/zinc/25/76/20/636257620.db2.gz SVSDSNJWVJKHMI-UHFFFAOYSA-N 1 0 299.798 2.409 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c(O)c1 ZINC000827284302 636280289 /nfs/dbraw/zinc/28/02/89/636280289.db2.gz UPENTPDTLGREIL-CZUORRHYSA-N 1 0 277.364 2.259 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CC[S@](C)=O)cc1 ZINC000827336583 636297898 /nfs/dbraw/zinc/29/78/98/636297898.db2.gz JUFNBKQLGNDLBU-IBGZPJMESA-N 1 0 282.453 2.343 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1O ZINC000827366494 636305796 /nfs/dbraw/zinc/30/57/96/636305796.db2.gz WJBDMYXQMHPQNI-KBPBESRZSA-N 1 0 261.365 2.348 20 10 CECDRO CC[NH+](CC)CCCCNC(=O)C1=CC(=O)CS1 ZINC000827515378 636341694 /nfs/dbraw/zinc/34/16/94/636341694.db2.gz DGDKIWZCOSQFDL-UHFFFAOYSA-N 1 0 270.398 2.306 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C2([C@@H](C)O)CC2)c1O ZINC000827585805 636359797 /nfs/dbraw/zinc/35/97/97/636359797.db2.gz QOEWUKZOLWUIHT-SECBINFHSA-N 1 0 255.745 2.357 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000827594002 636362165 /nfs/dbraw/zinc/36/21/65/636362165.db2.gz DIKPZUPKUVWRAX-OCCSQVGLSA-N 1 0 277.364 2.259 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c1O ZINC000827699255 636396834 /nfs/dbraw/zinc/39/68/34/636396834.db2.gz FUMZEXZIAVVANV-LRDDRELGSA-N 1 0 279.380 2.241 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)c1 ZINC000827837789 636439904 /nfs/dbraw/zinc/43/99/04/636439904.db2.gz FLUPWDILPKCUAP-UHFFFAOYSA-N 1 0 296.370 2.358 20 10 CECDRO CCC[C@@](C)([NH3+])C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000828668212 636650608 /nfs/dbraw/zinc/65/06/08/636650608.db2.gz ZKYHZOXIQTVMEW-MEBBXXQBSA-N 1 0 280.368 2.096 20 10 CECDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000830576306 637104024 /nfs/dbraw/zinc/10/40/24/637104024.db2.gz FNFRTROAAUSVRR-JQWIXIFHSA-N 1 0 280.393 2.010 20 10 CECDRO Cc1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c(O)c1 ZINC000876562084 650329969 /nfs/dbraw/zinc/32/99/69/650329969.db2.gz SAODVQYDSHQXOU-UHFFFAOYSA-N 1 0 288.391 2.191 20 10 CECDRO CCOc1cccc(CN[C@H]2CC[NH2+]C2(C)C)c1O ZINC000841086327 637509645 /nfs/dbraw/zinc/50/96/45/637509645.db2.gz MZUJVJZPJHHUFF-ZDUSSCGKSA-N 1 0 264.369 2.021 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCC2CC2)cc1 ZINC000832274827 637530748 /nfs/dbraw/zinc/53/07/48/637530748.db2.gz ZGXORPZONXYMBR-OAHLLOKOSA-N 1 0 275.396 2.059 20 10 CECDRO C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000876579875 650343489 /nfs/dbraw/zinc/34/34/89/650343489.db2.gz ARBUEDPAODPNHC-UHFFFAOYSA-N 1 0 260.381 2.242 20 10 CECDRO CC(C)CCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293209 637535436 /nfs/dbraw/zinc/53/54/36/637535436.db2.gz RHWHRASZXRQMIE-HNNXBMFYSA-N 1 0 277.412 2.305 20 10 CECDRO C[NH+](C)Cc1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000832658706 637634831 /nfs/dbraw/zinc/63/48/31/637634831.db2.gz ASEKOWMWJOVAGV-UHFFFAOYSA-N 1 0 297.402 2.303 20 10 CECDRO COc1ccccc1N(C)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876599810 650354156 /nfs/dbraw/zinc/35/41/56/650354156.db2.gz BADNYBQYIBJBBU-ASCRHOAZSA-N 1 0 274.364 2.214 20 10 CECDRO C[C@H]1CCN(CC[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834611530 637890079 /nfs/dbraw/zinc/89/00/79/637890079.db2.gz MJHJMRIJJLRFKQ-GXTWGEPZSA-N 1 0 260.381 2.311 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@@]3(CCOC3)C1)CC2 ZINC000834697449 637922068 /nfs/dbraw/zinc/92/20/68/637922068.db2.gz LHVOACUKANUMHX-CPUCHLNUSA-N 1 0 289.375 2.307 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1nnnn1C1CC1 ZINC000834784036 637951193 /nfs/dbraw/zinc/95/11/93/637951193.db2.gz QYUNUTKEIHIAEN-SKDRFNHKSA-N 1 0 285.351 2.052 20 10 CECDRO OC[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000834803013 637955953 /nfs/dbraw/zinc/95/59/53/637955953.db2.gz IGBHMXAPDDNEBC-HUUCEWRRSA-N 1 0 284.359 2.140 20 10 CECDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000834844651 637967597 /nfs/dbraw/zinc/96/75/97/637967597.db2.gz SRXJNRPWVNSVDN-WFASDCNBSA-N 1 0 267.369 2.139 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000834880469 637976884 /nfs/dbraw/zinc/97/68/84/637976884.db2.gz DGOAWIJTCQFXQU-WOSRLPQWSA-N 1 0 279.380 2.403 20 10 CECDRO CCN1C[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1=O ZINC000834892235 637979934 /nfs/dbraw/zinc/97/99/34/637979934.db2.gz UQVITIHEEFPJFF-STQMWFEESA-N 1 0 276.380 2.280 20 10 CECDRO CCN1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1=O ZINC000834892389 637980214 /nfs/dbraw/zinc/98/02/14/637980214.db2.gz VCRDIIYKSRMFAF-STQMWFEESA-N 1 0 276.380 2.280 20 10 CECDRO CC[C@H]([NH2+][C@H](C)CC(=O)NC)c1ccc(N(C)C)cc1 ZINC000834900226 637981687 /nfs/dbraw/zinc/98/16/87/637981687.db2.gz ODPRNUPBIPPZQB-DOMZBBRYSA-N 1 0 277.412 2.318 20 10 CECDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000834898636 637981763 /nfs/dbraw/zinc/98/17/63/637981763.db2.gz AJZLRXRKYLBSGW-PWSUYJOCSA-N 1 0 264.369 2.184 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834902841 637982944 /nfs/dbraw/zinc/98/29/44/637982944.db2.gz DJXLJJXOXZSQDA-PQFRYHKHSA-N 1 0 295.354 2.473 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCSCCCO)cc1 ZINC000835037738 638033477 /nfs/dbraw/zinc/03/34/77/638033477.db2.gz MJFZAVMPZMJXFB-HWKANZROSA-N 1 0 294.464 2.471 20 10 CECDRO CC[S@](=O)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835040022 638034123 /nfs/dbraw/zinc/03/41/23/638034123.db2.gz OTUOIUCMXZAHGX-VOFKWLDRSA-N 1 0 280.437 2.124 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CO)C2CC2)cc1 ZINC000835039333 638034379 /nfs/dbraw/zinc/03/43/79/638034379.db2.gz DIKSSRWORDNBSI-CWDCEQMOSA-N 1 0 260.381 2.126 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2C=C[C@H](CO)C2)cc1 ZINC000835044540 638035886 /nfs/dbraw/zinc/03/58/86/638035886.db2.gz LQCCKRIRPOBPEY-MYIWKSEUSA-N 1 0 272.392 2.292 20 10 CECDRO C[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)[C@@H]1CO ZINC000835046029 638036651 /nfs/dbraw/zinc/03/66/51/638036651.db2.gz QIBGPDRSTPWOIH-XUOJHOASSA-N 1 0 274.408 2.469 20 10 CECDRO CC[NH+](CC)CCN(CCOC)Cc1c(C)cccc1O ZINC000876692750 650403473 /nfs/dbraw/zinc/40/34/73/650403473.db2.gz FWHLRHPROMNFCF-UHFFFAOYSA-N 1 0 294.439 2.491 20 10 CECDRO COCCOC[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876775122 650428395 /nfs/dbraw/zinc/42/83/95/650428395.db2.gz OUGYIXNWJSTLBB-AWEZNQCLSA-N 1 0 279.380 2.186 20 10 CECDRO Cc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)c(O)c1O ZINC000836855191 638728680 /nfs/dbraw/zinc/72/86/80/638728680.db2.gz JKFYFPKZLVBDJG-UHFFFAOYSA-N 1 0 294.395 2.256 20 10 CECDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCc2cccc(F)c21 ZINC000876893956 650476997 /nfs/dbraw/zinc/47/69/97/650476997.db2.gz KVZLOABRFSKFSL-SYTKJHMZSA-N 1 0 274.339 2.271 20 10 CECDRO COCCOC[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164419934 639375376 /nfs/dbraw/zinc/37/53/76/639375376.db2.gz RJTOSHFBVOLVDC-HNNXBMFYSA-N 1 0 293.407 2.494 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000840827205 639554902 /nfs/dbraw/zinc/55/49/02/639554902.db2.gz GCQBNFCARLXHBL-ZBFHGGJFSA-N 1 0 289.423 2.320 20 10 CECDRO C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CCN1C ZINC000226612787 639556187 /nfs/dbraw/zinc/55/61/87/639556187.db2.gz WRGSLHMGTXPBLZ-GXFFZTMASA-N 1 0 252.333 2.104 20 10 CECDRO CC(C)(C)OC(=O)N1CC([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226613417 639556218 /nfs/dbraw/zinc/55/62/18/639556218.db2.gz NPGUUZCHDPKFOR-UHFFFAOYSA-N 1 0 296.342 2.240 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCCCn1ccnc1 ZINC000876958537 650506278 /nfs/dbraw/zinc/50/62/78/650506278.db2.gz GZONGNOHWDXYRF-UHFFFAOYSA-N 1 0 259.353 2.467 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CCOC[C@H]2C)c(Cl)c1 ZINC000840888672 639573732 /nfs/dbraw/zinc/57/37/32/639573732.db2.gz BXNJFIMCYZUOGP-GFCCVEGCSA-N 1 0 298.814 2.164 20 10 CECDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000840890174 639575433 /nfs/dbraw/zinc/57/54/33/639575433.db2.gz YPNUPAMFXOAXHZ-ZDUSSCGKSA-N 1 0 299.436 2.484 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1CC[NH2+]C(C)(C)C1 ZINC000840912536 639584882 /nfs/dbraw/zinc/58/48/82/639584882.db2.gz IXHMRFDILLIRPM-UHFFFAOYSA-N 1 0 261.413 2.245 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000840930634 639589966 /nfs/dbraw/zinc/58/99/66/639589966.db2.gz NGGLNOKXZLHILX-LBPRGKRZSA-N 1 0 276.302 2.074 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000840935355 639591668 /nfs/dbraw/zinc/59/16/68/639591668.db2.gz MYBBSIUNTZECBZ-HNNXBMFYSA-N 1 0 280.437 2.019 20 10 CECDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938392 639592822 /nfs/dbraw/zinc/59/28/22/639592822.db2.gz OLWJNTYEKJLTDT-LLYBFZRZSA-N 1 0 262.397 2.478 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@]1(C)CO ZINC000840938489 639592961 /nfs/dbraw/zinc/59/29/61/639592961.db2.gz GTMHDWXQRFVRPP-MRXNPFEDSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000840940079 639594176 /nfs/dbraw/zinc/59/41/76/639594176.db2.gz VEMLYRNYDOYCSN-BFUOFWGJSA-N 1 0 282.453 2.260 20 10 CECDRO CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841028868 639621315 /nfs/dbraw/zinc/62/13/15/639621315.db2.gz JMGWMVAHNGLHDZ-SNVBAGLBSA-N 1 0 287.747 2.027 20 10 CECDRO Cc1cc(C)n2c(C[NH2+]CCc3ccc(N)cc3)cnc2n1 ZINC000841034660 639626892 /nfs/dbraw/zinc/62/68/92/639626892.db2.gz JGBDOQHLQOCWJI-UHFFFAOYSA-N 1 0 295.390 2.261 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](N)c2ccccc2)c1 ZINC000841034111 639626975 /nfs/dbraw/zinc/62/69/75/639626975.db2.gz ALMFMWMMNQMCHB-OAHLLOKOSA-N 1 0 272.348 2.190 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](CN)CC(C)C)c1O ZINC000841038274 639628873 /nfs/dbraw/zinc/62/88/73/639628873.db2.gz IKTHNPNHKPFZAY-ZDUSSCGKSA-N 1 0 266.385 2.254 20 10 CECDRO COc1cccc(O)c1CNCC1([NH3+])CCCCC1 ZINC000841039703 639629831 /nfs/dbraw/zinc/62/98/31/639629831.db2.gz ZYQMRCKQGIZHLY-UHFFFAOYSA-N 1 0 264.369 2.152 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNCc2cccc(O)c2)cc1 ZINC000841044628 639631292 /nfs/dbraw/zinc/63/12/92/639631292.db2.gz XBDIDGMPJYJQPD-QGZVFWFLSA-N 1 0 285.391 2.248 20 10 CECDRO Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000841048959 639632184 /nfs/dbraw/zinc/63/21/84/639632184.db2.gz IDMPBVDBLRWYMN-GFCCVEGCSA-N 1 0 299.212 2.290 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@H]1C[NH2+]CC[C@@H]1C ZINC000841059731 639636290 /nfs/dbraw/zinc/63/62/90/639636290.db2.gz WIWRZHAOFBMBNS-BLLLJJGKSA-N 1 0 261.413 2.149 20 10 CECDRO CCOCc1cc(CN[C@H]2C[NH2+]CC[C@H]2C)ccc1OC ZINC000841058999 639636892 /nfs/dbraw/zinc/63/68/92/639636892.db2.gz IXQVBXQAHALBCQ-CJNGLKHVSA-N 1 0 292.423 2.319 20 10 CECDRO CN(C)c1ccc(/C=C/CN[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000841079606 639648453 /nfs/dbraw/zinc/64/84/53/639648453.db2.gz MHGOOXPNEHYWKK-BWPKMQGJSA-N 1 0 295.377 2.353 20 10 CECDRO CC1(C)[NH2+]CC[C@H]1NCc1cc(Cl)ccc1O ZINC000841085655 639652069 /nfs/dbraw/zinc/65/20/69/639652069.db2.gz JHRAAZWPUDGIGW-GFCCVEGCSA-N 1 0 254.761 2.276 20 10 CECDRO CCOc1cccc(CN[C@@H](CC[NH3+])C(F)(F)F)c1O ZINC000841089856 639653811 /nfs/dbraw/zinc/65/38/11/639653811.db2.gz AYSLQXMBXYJHJB-NSHDSACASA-N 1 0 292.301 2.160 20 10 CECDRO Nc1ccc(NC(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000841297015 639731129 /nfs/dbraw/zinc/73/11/29/639731129.db2.gz KPMCSWYUONYGKF-OAHLLOKOSA-N 1 0 298.346 2.349 20 10 CECDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841301518 639732872 /nfs/dbraw/zinc/73/28/72/639732872.db2.gz SCHLGPDVGFJUPF-UHFFFAOYSA-N 1 0 276.384 2.217 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c1O ZINC000230670218 639778400 /nfs/dbraw/zinc/77/84/00/639778400.db2.gz HFHPMVXHSOALPS-YPMHNXCESA-N 1 0 265.353 2.042 20 10 CECDRO Cc1cccc(O)c1CNc1cnn(CC[NH+](C)C)c1 ZINC000877006871 650529093 /nfs/dbraw/zinc/52/90/93/650529093.db2.gz URDIMEHZVSNZEU-UHFFFAOYSA-N 1 0 274.368 2.071 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CC[NH3+] ZINC000841968431 639913364 /nfs/dbraw/zinc/91/33/64/639913364.db2.gz XPYGAJQXWSNIMP-GFCCVEGCSA-N 1 0 279.384 2.051 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)NC/C=C/C[NH3+] ZINC000841994873 639917396 /nfs/dbraw/zinc/91/73/96/639917396.db2.gz GADZWMAREOEQCA-VOTSOKGWSA-N 1 0 291.395 2.219 20 10 CECDRO Cc1ccc(C[NH2+]C[C@@](C)(O)c2ccco2)c(O)c1 ZINC000877072034 650558861 /nfs/dbraw/zinc/55/88/61/650558861.db2.gz GKUNWBPIAGHVEA-OAHLLOKOSA-N 1 0 261.321 2.291 20 10 CECDRO CN(C(=O)[C@H]1CCCC[C@@]1(C)[NH3+])c1ccc(N)cc1 ZINC000877077719 650562088 /nfs/dbraw/zinc/56/20/88/650562088.db2.gz RYYSTDNWEAJENN-UKRRQHHQSA-N 1 0 261.369 2.139 20 10 CECDRO [O-]c1c(F)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843046147 640251616 /nfs/dbraw/zinc/25/16/16/640251616.db2.gz OLYLJRVQTUJAFW-HNNXBMFYSA-N 1 0 278.371 2.495 20 10 CECDRO C[C@@H]([NH3+])C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000843048637 640253334 /nfs/dbraw/zinc/25/33/34/640253334.db2.gz MLXGEJNUPFEBLJ-SNVBAGLBSA-N 1 0 252.333 2.091 20 10 CECDRO CN(C)c1ccc(/C=C/CN(C)[C@H]2CC[NH2+]C2)cc1 ZINC000843049115 640253967 /nfs/dbraw/zinc/25/39/67/640253967.db2.gz FMGWHPXSDCIREO-APHBUQMISA-N 1 0 259.397 2.060 20 10 CECDRO C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843052788 640255827 /nfs/dbraw/zinc/25/58/27/640255827.db2.gz WEOIMXPFCYTYMB-WDEREUQCSA-N 1 0 252.333 2.091 20 10 CECDRO CCOc1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)c(O)c1 ZINC000843055879 640258927 /nfs/dbraw/zinc/25/89/27/640258927.db2.gz RPCVBBGTOFLVJG-AWEZNQCLSA-N 1 0 276.380 2.117 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843107544 640283595 /nfs/dbraw/zinc/28/35/95/640283595.db2.gz RLULQGHIXKFUTP-IYBDPMFKSA-N 1 0 273.424 2.387 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000843121052 640288996 /nfs/dbraw/zinc/28/89/96/640288996.db2.gz ZRQIXWKNUMMDBC-DDKKJVIOSA-N 1 0 285.435 2.451 20 10 CECDRO CN(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)cc1 ZINC000843120341 640289186 /nfs/dbraw/zinc/28/91/86/640289186.db2.gz GIOWRRRTGUFMLN-GOSISDBHSA-N 1 0 296.418 2.294 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CC[NH2+]C[C@@](C)(F)C2)cc1 ZINC000843124561 640290553 /nfs/dbraw/zinc/29/05/53/640290553.db2.gz CAAHFYIPGMUTAH-VGOKWCNXSA-N 1 0 291.414 2.399 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C)CCCC2)cc1 ZINC000843296874 640379587 /nfs/dbraw/zinc/37/95/87/640379587.db2.gz HLUMVPCQGVMHFQ-HNNXBMFYSA-N 1 0 289.423 2.449 20 10 CECDRO CC(C)N(C)C(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349756 640398744 /nfs/dbraw/zinc/39/87/44/640398744.db2.gz AJYMPFADFVHIDT-ZDUSSCGKSA-N 1 0 289.423 2.153 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H](C)[C@H]2C[NH3+])c1O ZINC000843353401 640400451 /nfs/dbraw/zinc/40/04/51/640400451.db2.gz HIPLHNNOIJZURT-ZUZCIYMTSA-N 1 0 294.370 2.293 20 10 CECDRO CCN(Cc1cc(Br)ccc1O)C[C@@H](C)[NH3+] ZINC000843359052 640403606 /nfs/dbraw/zinc/40/36/06/640403606.db2.gz FXJOHEVGFXKAQP-SECBINFHSA-N 1 0 287.201 2.324 20 10 CECDRO CCCC[C@](C)(CO)[NH2+]Cc1cc(OC)ccc1O ZINC000843426347 640425598 /nfs/dbraw/zinc/42/55/98/640425598.db2.gz UBSGVCSBOGGUHG-OAHLLOKOSA-N 1 0 267.369 2.432 20 10 CECDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000843427332 640426809 /nfs/dbraw/zinc/42/68/09/640426809.db2.gz LIZNHIJEWXSQEK-GWCFXTLKSA-N 1 0 255.333 2.418 20 10 CECDRO COc1cccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)c1O ZINC000843429426 640427775 /nfs/dbraw/zinc/42/77/75/640427775.db2.gz VIYSUMQDVSWCJE-CQSZACIVSA-N 1 0 277.364 2.402 20 10 CECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C[C@H]1C ZINC000844184972 640625248 /nfs/dbraw/zinc/62/52/48/640625248.db2.gz BAFKKNMDHLRLBX-CZUORRHYSA-N 1 0 289.423 2.143 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccccc1O ZINC000844313057 640673113 /nfs/dbraw/zinc/67/31/13/640673113.db2.gz QKKDUXIMILIBRR-ZYHUDNBSSA-N 1 0 276.336 2.026 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CCC(=O)C2CC2)cc1 ZINC000844400652 640708097 /nfs/dbraw/zinc/70/80/97/640708097.db2.gz FIZXHELMHWCHBO-UHFFFAOYSA-N 1 0 290.407 2.432 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000877165758 650605395 /nfs/dbraw/zinc/60/53/95/650605395.db2.gz LQVQEOBUNMYWHZ-NSHDSACASA-N 1 0 272.352 2.089 20 10 CECDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000846019521 641154591 /nfs/dbraw/zinc/15/45/91/641154591.db2.gz ZRFRHRURFPBZRN-SMDDNHRTSA-N 1 0 267.369 2.288 20 10 CECDRO COC(=O)CC1([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000846027431 641157408 /nfs/dbraw/zinc/15/74/08/641157408.db2.gz OXRYYKYDCFRWEE-SNAWJCMRSA-N 1 0 288.391 2.451 20 10 CECDRO CC[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccccc1O ZINC000846108718 641184028 /nfs/dbraw/zinc/18/40/28/641184028.db2.gz QTYGKMRMFNQUKM-ZBFHGGJFSA-N 1 0 279.380 2.365 20 10 CECDRO COc1cccc(CN(C)CC[NH+]2CCCCC2)c1O ZINC000846113840 641188354 /nfs/dbraw/zinc/18/83/54/641188354.db2.gz APFGIDNIQWSSJZ-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO F[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000846122188 641194145 /nfs/dbraw/zinc/19/41/45/641194145.db2.gz KFWVQJKQYMOQBV-HNNXBMFYSA-N 1 0 278.371 2.457 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCn2ccnc2C)c1O ZINC000846141749 641199285 /nfs/dbraw/zinc/19/92/85/641199285.db2.gz NHWUIQQNXSLPHZ-NSHDSACASA-N 1 0 275.352 2.257 20 10 CECDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846143866 641200908 /nfs/dbraw/zinc/20/09/08/641200908.db2.gz INJOGQQFMYYTSK-LOWVWBTDSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCc2cnn(C)c2)c1O ZINC000846145316 641201810 /nfs/dbraw/zinc/20/18/10/641201810.db2.gz PHVDHVLQBKJAMX-LLVKDONJSA-N 1 0 275.352 2.028 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCc2ccn(C)n2)c1O ZINC000846162037 641208262 /nfs/dbraw/zinc/20/82/62/641208262.db2.gz FVYTVDZEHXYRKX-NSHDSACASA-N 1 0 275.352 2.028 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846163137 641209232 /nfs/dbraw/zinc/20/92/32/641209232.db2.gz KXUAFCWSXCTXGE-UXIGCNINSA-N 1 0 295.379 2.245 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C[C@H](C)O)c1O ZINC000846163032 641209634 /nfs/dbraw/zinc/20/96/34/641209634.db2.gz KGXWMBKHWIZUAI-DCAQKATOSA-N 1 0 253.342 2.211 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC2=CCOCC2)c1O ZINC000846171086 641211907 /nfs/dbraw/zinc/21/19/07/641211907.db2.gz RHCIFKXYMCGNEH-LLVKDONJSA-N 1 0 263.337 2.398 20 10 CECDRO CC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000846187992 641216418 /nfs/dbraw/zinc/21/64/18/641216418.db2.gz DNXOKBLKLVXGQE-UBHAPETDSA-N 1 0 282.771 2.350 20 10 CECDRO CC[C@@H]([NH2+][C@H](CO)CCF)c1ccc(C)cc1O ZINC000846209381 641222902 /nfs/dbraw/zinc/22/29/02/641222902.db2.gz QSKNJFYUWJSZHP-WCQYABFASA-N 1 0 255.333 2.462 20 10 CECDRO C[C@H](NC(=O)/C=C/[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000877256977 650644065 /nfs/dbraw/zinc/64/40/65/650644065.db2.gz INZKWLPXKAIMCN-AYSSICMYSA-N 1 0 274.364 2.125 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000846698519 641400541 /nfs/dbraw/zinc/40/05/41/641400541.db2.gz IHEOOZHPALTUAG-WCQYABFASA-N 1 0 264.369 2.103 20 10 CECDRO COCC[N@H+]1[C@H](C)CN(Cc2cc(F)ccc2O)C[C@@H]1C ZINC000180168407 641422519 /nfs/dbraw/zinc/42/25/19/641422519.db2.gz WGJKMNBNNLIAAX-BETUJISGSA-N 1 0 296.386 2.072 20 10 CECDRO COC[C@@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000071270399 641733040 /nfs/dbraw/zinc/73/30/40/641733040.db2.gz GHCGHRNHUBLDCS-YPMHNXCESA-N 1 0 275.348 2.203 20 10 CECDRO CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000184740078 641898494 /nfs/dbraw/zinc/89/84/94/641898494.db2.gz BXJLZGRUOWPOND-CQSZACIVSA-N 1 0 266.360 2.303 20 10 CECDRO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(C)cc1O ZINC000877415979 650713493 /nfs/dbraw/zinc/71/34/93/650713493.db2.gz FNZYRKQRPCDCCQ-OCCSQVGLSA-N 1 0 277.364 2.474 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000877404089 650708592 /nfs/dbraw/zinc/70/85/92/650708592.db2.gz YFGVUPBIXWHGNT-CQSZACIVSA-N 1 0 279.380 2.326 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(CO)OC)cc1F ZINC000848560380 642053226 /nfs/dbraw/zinc/05/32/26/642053226.db2.gz MJMTUZMRPKKVJV-MRXNPFEDSA-N 1 0 298.402 2.159 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@H](C[NH3+])C(F)(F)F ZINC000848714977 642109535 /nfs/dbraw/zinc/10/95/35/642109535.db2.gz YWMGKUIHQAVUNT-GFCCVEGCSA-N 1 0 275.318 2.040 20 10 CECDRO CCc1cccc(C[NH+]2CCC(CCC(N)=O)CC2)c1O ZINC000848888463 642173600 /nfs/dbraw/zinc/17/36/00/642173600.db2.gz URHVNEYHVCNOJP-UHFFFAOYSA-N 1 0 290.407 2.432 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c1O ZINC000848894952 642175923 /nfs/dbraw/zinc/17/59/23/642175923.db2.gz ITYNSGJPHARXOJ-UONOGXRCSA-N 1 0 292.423 2.153 20 10 CECDRO CCc1cccc(C[NH2+]CCCO[C@H]2CCOC2)c1O ZINC000848897150 642176923 /nfs/dbraw/zinc/17/69/23/642176923.db2.gz FLUUGKQBHAHQKA-HNNXBMFYSA-N 1 0 279.380 2.240 20 10 CECDRO CCc1cccc(C[NH2+]CCCNC(=O)C(C)C)c1O ZINC000848899447 642178967 /nfs/dbraw/zinc/17/89/67/642178967.db2.gz OIANWEOQXQUUCU-UHFFFAOYSA-N 1 0 278.396 2.207 20 10 CECDRO CCc1cccc(C[N@H+]2CCN(C)C[C@@H]2CC)c1O ZINC000848914832 642188796 /nfs/dbraw/zinc/18/87/96/642188796.db2.gz TWZRIJRKVPIDAE-HNNXBMFYSA-N 1 0 262.397 2.481 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@H]3CN(C)C[C@H]32)c1O ZINC000848918256 642192428 /nfs/dbraw/zinc/19/24/28/642192428.db2.gz UIPUNBRAQXWRHF-GOEBONIOSA-N 1 0 274.408 2.481 20 10 CECDRO [NH2+]=C(NCCc1ccccc1)NCc1ccccc1O ZINC000849057329 642259150 /nfs/dbraw/zinc/25/91/50/642259150.db2.gz NJWDWDARSJJCQR-UHFFFAOYSA-N 1 0 269.348 2.249 20 10 CECDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921618579 642270758 /nfs/dbraw/zinc/27/07/58/642270758.db2.gz JHLPKBXBAWOVQL-STQMWFEESA-N 1 0 290.407 2.404 20 10 CECDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2c(C)cccc2O)C1 ZINC000877491483 650748136 /nfs/dbraw/zinc/74/81/36/650748136.db2.gz ULVAICKSQPQEBW-AWEZNQCLSA-N 1 0 276.380 2.049 20 10 CECDRO Cc1ccc(C[NH+]2CCN(c3nccnc3C)CC2)c(O)c1 ZINC000877501548 650753431 /nfs/dbraw/zinc/75/34/31/650753431.db2.gz QQRDIMNYPZICMX-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO Cc1cccc(O)c1C[NH2+]Cc1ncnn1C(C)(C)C ZINC000877501596 650753536 /nfs/dbraw/zinc/75/35/36/650753536.db2.gz RMUBUKBIFVUWMG-UHFFFAOYSA-N 1 0 274.368 2.337 20 10 CECDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000850011362 642541385 /nfs/dbraw/zinc/54/13/85/642541385.db2.gz OTQPPVSSTAAKBZ-BYCMXARLSA-N 1 0 276.380 2.040 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H](C)CN1CCCCC1 ZINC000850028703 642546783 /nfs/dbraw/zinc/54/67/83/642546783.db2.gz QSLUDCXOCYYEMJ-CYBMUJFWSA-N 1 0 278.396 2.365 20 10 CECDRO Cc1ncc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)n1C ZINC000850099454 642578283 /nfs/dbraw/zinc/57/82/83/642578283.db2.gz LJBRTDWJXDBUBG-UHFFFAOYSA-N 1 0 276.359 2.223 20 10 CECDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000850138453 642591964 /nfs/dbraw/zinc/59/19/64/642591964.db2.gz FOOXIPZPIXRJBY-UHOFOFEASA-N 1 0 290.407 2.348 20 10 CECDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921767772 642597743 /nfs/dbraw/zinc/59/77/43/642597743.db2.gz SIHIJQAFKDRIJJ-HNNXBMFYSA-N 1 0 281.421 2.215 20 10 CECDRO COC1CC(CC[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000850341277 642673083 /nfs/dbraw/zinc/67/30/83/642673083.db2.gz FLUZPNVVFPXNTB-UHFFFAOYSA-N 1 0 279.336 2.026 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCO[C@@H](C)C3)C2)cc1 ZINC000850347605 642675233 /nfs/dbraw/zinc/67/52/33/642675233.db2.gz UOUGRPNIWGMQHL-ZNMIVQPWSA-N 1 0 290.407 2.431 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000850347696 642675235 /nfs/dbraw/zinc/67/52/35/642675235.db2.gz WCXBAUBDUUPYOF-AWEZNQCLSA-N 1 0 276.380 2.043 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@H](C)O[C@@H]3C)C2)cc1 ZINC000850347860 642675368 /nfs/dbraw/zinc/67/53/68/642675368.db2.gz ZGTQNBKVUUQQHZ-QDEZUTFSSA-N 1 0 290.407 2.429 20 10 CECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1c(C)cccc1O ZINC000877550153 650781930 /nfs/dbraw/zinc/78/19/30/650781930.db2.gz UJVBXESKBLKNAP-ZDUSSCGKSA-N 1 0 278.396 2.343 20 10 CECDRO Cc1cncc(CC[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000850390606 642697440 /nfs/dbraw/zinc/69/74/40/642697440.db2.gz KVYFTAQLDBSGRZ-UHFFFAOYSA-N 1 0 277.755 2.476 20 10 CECDRO CCOc1ccc(C[NH2+]CC2CCC(O)CC2)c(O)c1 ZINC000850395243 642698521 /nfs/dbraw/zinc/69/85/21/642698521.db2.gz PEONGJHTNAXFJJ-UHFFFAOYSA-N 1 0 279.380 2.432 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000850442093 642714795 /nfs/dbraw/zinc/71/47/95/642714795.db2.gz ANVNDFKRRQXADR-CYBMUJFWSA-N 1 0 273.336 2.222 20 10 CECDRO CO[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)[C@H]1CCOC1 ZINC000850485099 642728848 /nfs/dbraw/zinc/72/88/48/642728848.db2.gz XESFUPZXZCFOKE-JRPNMDOOSA-N 1 0 283.343 2.233 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC3(C)C)C2)cc1 ZINC000850486063 642729968 /nfs/dbraw/zinc/72/99/68/642729968.db2.gz DSJNMTXGUHHJID-XJKSGUPXSA-N 1 0 290.407 2.431 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)CCCCO)C2)cc1 ZINC000850489214 642730057 /nfs/dbraw/zinc/73/00/57/642730057.db2.gz RZNIMBLNGRLIGL-HUUCEWRRSA-N 1 0 292.423 2.415 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCn4ccnc43)C2)cc1 ZINC000850489369 642730425 /nfs/dbraw/zinc/73/04/25/642730425.db2.gz XJNJWTBJCWMJDS-XJKSGUPXSA-N 1 0 298.390 2.205 20 10 CECDRO C[C@@H]([NH2+]C/C=C\CO)c1cc2c(cc1O)CCCC2 ZINC000850510214 642736103 /nfs/dbraw/zinc/73/61/03/642736103.db2.gz VWMHHDAPCRPLIT-QMAVJUDZSA-N 1 0 261.365 2.470 20 10 CECDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565203 642753840 /nfs/dbraw/zinc/75/38/40/642753840.db2.gz CBKPYZFZDXFBQL-UONOGXRCSA-N 1 0 292.423 2.161 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922157055 642912576 /nfs/dbraw/zinc/91/25/76/642912576.db2.gz VNHZXWYIUVNEQI-NVXWUHKLSA-N 1 0 291.391 2.153 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CC(C(=O)OC(C)(C)C)C1 ZINC000877580440 650799164 /nfs/dbraw/zinc/79/91/64/650799164.db2.gz KZVYFIJBQKLBIC-UHFFFAOYSA-N 1 0 277.364 2.474 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](CC)CO)ccc1OC ZINC000186517584 642951309 /nfs/dbraw/zinc/95/13/09/642951309.db2.gz QXQQOVDKZAURFB-AWEZNQCLSA-N 1 0 267.369 2.092 20 10 CECDRO Cn1cncc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922273324 642993725 /nfs/dbraw/zinc/99/37/25/642993725.db2.gz FDSTWZRPJADDAH-UHFFFAOYSA-N 1 0 271.364 2.077 20 10 CECDRO COc1cccc(O)c1CNCc1cc(N(C)C)cc[nH+]1 ZINC000922477521 643088737 /nfs/dbraw/zinc/08/87/37/643088737.db2.gz AKZUIFNYDRFXMF-UHFFFAOYSA-N 1 0 287.363 2.152 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000877622718 650818933 /nfs/dbraw/zinc/81/89/33/650818933.db2.gz BLZAJLILMUEGOL-NQCMUKECSA-N 1 0 281.421 2.480 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c(O)c1 ZINC000877623013 650818994 /nfs/dbraw/zinc/81/89/94/650818994.db2.gz GVLJGIJCHPXWLG-LPMFXHHGSA-N 1 0 281.421 2.480 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCn2ccnn2)c1 ZINC000126627603 650820640 /nfs/dbraw/zinc/82/06/40/650820640.db2.gz AQMSZKKWNITRJW-GFCCVEGCSA-N 1 0 260.341 2.033 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c(O)c1 ZINC000877629577 650822178 /nfs/dbraw/zinc/82/21/78/650822178.db2.gz VYYSQCRUTAZZFE-MRXNPFEDSA-N 1 0 261.365 2.438 20 10 CECDRO COC(CC[NH2+][C@H](C)c1ccc(N(C)C)cc1)OC ZINC000851949717 643239801 /nfs/dbraw/zinc/23/98/01/643239801.db2.gz ICPUBLRSNMEDCX-GFCCVEGCSA-N 1 0 266.385 2.412 20 10 CECDRO Nc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000110380182 643287515 /nfs/dbraw/zinc/28/75/15/643287515.db2.gz KXRKWMYPNKBQJO-HNNXBMFYSA-N 1 0 288.395 2.361 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@](CO)(OC)C2)cc1 ZINC000852412615 643418313 /nfs/dbraw/zinc/41/83/13/643418313.db2.gz WZMZWCYWKOGROM-QGZVFWFLSA-N 1 0 292.423 2.116 20 10 CECDRO COc1cc(O)c(C[NH2+]CC(C)(C)F)cc1OC ZINC000877663550 650840035 /nfs/dbraw/zinc/84/00/35/650840035.db2.gz UEZPZBYRERCHRQ-UHFFFAOYSA-N 1 0 257.305 2.247 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCO[C@@H]2CCOC2)cc1 ZINC000922936525 643463347 /nfs/dbraw/zinc/46/33/47/643463347.db2.gz IPKQYVKTAGKACB-CWIOURORSA-N 1 0 290.407 2.161 20 10 CECDRO COC[C@H](C[NH2+]Cc1c(O)cccc1OC)C(C)C ZINC000922949822 643475394 /nfs/dbraw/zinc/47/53/94/643475394.db2.gz UBZMJSQJSMZTQG-LBPRGKRZSA-N 1 0 267.369 2.409 20 10 CECDRO CCOc1ccc(N(C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000852745633 643530935 /nfs/dbraw/zinc/53/09/35/643530935.db2.gz YRCLXMUYVKXMLU-HNNXBMFYSA-N 1 0 276.380 2.043 20 10 CECDRO CCC/C=C\C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792481 643553576 /nfs/dbraw/zinc/55/35/76/643553576.db2.gz XEVIEDZPDUWBHC-IDTUSYRASA-N 1 0 275.396 2.225 20 10 CECDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(N(C)C)c(C)c1 ZINC000923352934 643678394 /nfs/dbraw/zinc/67/83/94/643678394.db2.gz USNNPUWBQJJJRS-GJZGRUSLSA-N 1 0 279.403 2.193 20 10 CECDRO Cc1cc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)ccc1N(C)C ZINC000923398926 643697170 /nfs/dbraw/zinc/69/71/70/643697170.db2.gz OSHCPQQPELHNPU-DOTOQJQBSA-N 1 0 273.424 2.374 20 10 CECDRO Cc1nn(C)c(C)c1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703303 650860984 /nfs/dbraw/zinc/86/09/84/650860984.db2.gz AKZOGFITHFXDOP-UHFFFAOYSA-N 1 0 257.337 2.258 20 10 CECDRO CCN(CC)c1ccc(CN[C@H](C)C[NH2+]C)cc1F ZINC000853248421 643722315 /nfs/dbraw/zinc/72/23/15/643722315.db2.gz GCPYQJXQMRZVJI-GFCCVEGCSA-N 1 0 267.392 2.369 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CN3CCC2CC3)cc1 ZINC000877706008 650861669 /nfs/dbraw/zinc/86/16/69/650861669.db2.gz DEVSXAOHUIDPRC-QGZVFWFLSA-N 1 0 273.424 2.279 20 10 CECDRO Cn1cc(CCC[N@H+](C)Cc2ccccc2O)cn1 ZINC000111236362 643733568 /nfs/dbraw/zinc/73/35/68/643733568.db2.gz SXSGVZFQCWDOLY-UHFFFAOYSA-N 1 0 259.353 2.190 20 10 CECDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccn(C)n1 ZINC000840816409 644057406 /nfs/dbraw/zinc/05/74/06/644057406.db2.gz VZKJFOCCJIQVRG-GWCFXTLKSA-N 1 0 257.337 2.464 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)[C@@H]1SC ZINC000838948542 644079958 /nfs/dbraw/zinc/07/99/58/644079958.db2.gz UDVCEJSMYQOADF-CFVMTHIKSA-N 1 0 297.420 2.399 20 10 CECDRO CCOc1ccc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877744385 650889835 /nfs/dbraw/zinc/88/98/35/650889835.db2.gz SIKAAYUPYBLJBJ-CJNGLKHVSA-N 1 0 290.407 2.317 20 10 CECDRO COc1ccc(O)c(C[NH+]2CC3(C2)CCCOC3)c1 ZINC000839137282 644170935 /nfs/dbraw/zinc/17/09/35/644170935.db2.gz CNPVHVSQYVTPMX-UHFFFAOYSA-N 1 0 263.337 2.013 20 10 CECDRO FC1CC2(C1)C[NH+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000839140788 644172385 /nfs/dbraw/zinc/17/23/85/644172385.db2.gz VYZLRGWTVYDLBM-UHFFFAOYSA-N 1 0 290.382 2.457 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c1O ZINC000877753104 650897497 /nfs/dbraw/zinc/89/74/97/650897497.db2.gz MRTRIBXIZYCSED-ZDUSSCGKSA-N 1 0 279.380 2.384 20 10 CECDRO COc1ncncc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758254 650900125 /nfs/dbraw/zinc/90/01/25/650900125.db2.gz PIRNKQMRUCDRSW-JTQLQIEISA-N 1 0 259.309 2.042 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000855286722 644292859 /nfs/dbraw/zinc/29/28/59/644292859.db2.gz WJODBGOKNOIVLZ-VIFPVBQESA-N 1 0 268.382 2.056 20 10 CECDRO CCCNC(=O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756354748 644634261 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CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)cc1 ZINC000839635346 644761265 /nfs/dbraw/zinc/76/12/65/644761265.db2.gz HISQOGRCGMZUEX-OAHLLOKOSA-N 1 0 289.423 2.053 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1ccc(C)cc1O ZINC000857084528 644812962 /nfs/dbraw/zinc/81/29/62/644812962.db2.gz UQAJKLREQJJUKF-UKRRQHHQSA-N 1 0 276.380 2.362 20 10 CECDRO CCOc1cccc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226155 644858719 /nfs/dbraw/zinc/85/87/19/644858719.db2.gz GARGZGROZNAPFC-XJKSGUPXSA-N 1 0 276.380 2.104 20 10 CECDRO CCOc1ccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c(O)c1 ZINC000857226741 644860010 /nfs/dbraw/zinc/86/00/10/644860010.db2.gz YJHPMFGYWLOCHZ-CZUORRHYSA-N 1 0 276.380 2.104 20 10 CECDRO COC(=O)N1CCC(C[NH2+]Cc2cccc(C)c2O)CC1 ZINC000809709852 644881570 /nfs/dbraw/zinc/88/15/70/644881570.db2.gz JICHNKCDCXMHHP-UHFFFAOYSA-N 1 0 292.379 2.269 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c(O)c1 ZINC000758504010 644935467 /nfs/dbraw/zinc/93/54/67/644935467.db2.gz GVBZAWKFURDFKP-ZDUSSCGKSA-N 1 0 287.363 2.161 20 10 CECDRO CC[C@H](CCO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858142734 645073015 /nfs/dbraw/zinc/07/30/15/645073015.db2.gz KXDJTYPLHNOPRP-LLVKDONJSA-N 1 0 272.339 2.281 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CCc2cn[nH]c2)cc1F ZINC000858166012 645079566 /nfs/dbraw/zinc/07/95/66/645079566.db2.gz WNMAHUUEBVSPMQ-UHFFFAOYSA-N 1 0 280.322 2.086 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c(O)c1 ZINC000858297403 645110751 /nfs/dbraw/zinc/11/07/51/645110751.db2.gz CWRYSAZZYQPLPV-BBRMVZONSA-N 1 0 277.364 2.448 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1COCCN1C)c1ccc(N(C)C)cc1 ZINC000858520667 645190152 /nfs/dbraw/zinc/19/01/52/645190152.db2.gz HQHIRKFMTVRNPZ-IRXDYDNUSA-N 1 0 291.439 2.124 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)c2c1c(F)ccc2O ZINC000858545809 645197277 /nfs/dbraw/zinc/19/72/77/645197277.db2.gz VHCGOZYDJTZSCO-SVDPJWKOSA-N 1 0 265.328 2.440 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(F)ccc1O ZINC000858602649 645217744 /nfs/dbraw/zinc/21/77/44/645217744.db2.gz FSCBPVWCGMJUID-QMTHXVAHSA-N 1 0 292.354 2.335 20 10 CECDRO CCC[N@H+](CCN(C#N)CC)Cc1ccccc1O ZINC000878151940 651015148 /nfs/dbraw/zinc/01/51/48/651015148.db2.gz SEAYVAVRIHMDDZ-UHFFFAOYSA-N 1 0 261.369 2.407 20 10 CECDRO C[C@@H]1[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000763989738 645599231 /nfs/dbraw/zinc/59/92/31/645599231.db2.gz AYHZVTFUKAOQJU-CZUORRHYSA-N 1 0 289.423 2.051 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000859886589 645646929 /nfs/dbraw/zinc/64/69/29/645646929.db2.gz JYNRLMXVBZEOLD-GUXCAODWSA-N 1 0 292.448 2.238 20 10 CECDRO CC[C@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765252153 645749062 /nfs/dbraw/zinc/74/90/62/645749062.db2.gz IBEYYEWZZGRIFN-ZFWWWQNUSA-N 1 0 289.423 2.276 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000765797182 645810614 /nfs/dbraw/zinc/81/06/14/645810614.db2.gz QEBOBIMSHCLSKI-ZIAGYGMSSA-N 1 0 276.380 2.008 20 10 CECDRO CC(C)[C@H](C)[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439326 646122576 /nfs/dbraw/zinc/12/25/76/646122576.db2.gz KITJRTKQHZJKIA-IINYFYTJSA-N 1 0 265.353 2.294 20 10 CECDRO CC(C)C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CC1 ZINC000768440048 646122913 /nfs/dbraw/zinc/12/29/13/646122913.db2.gz CRSAUJDXDYEHGC-OAHLLOKOSA-N 1 0 277.364 2.438 20 10 CECDRO CC1(C)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768447676 646123419 /nfs/dbraw/zinc/12/34/19/646123419.db2.gz AVYWEIHMSMLPJW-AWEZNQCLSA-N 1 0 277.364 2.440 20 10 CECDRO CCC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768443097 646123512 /nfs/dbraw/zinc/12/35/12/646123512.db2.gz OVGUVATZLFBQCT-OAHLLOKOSA-N 1 0 277.364 2.440 20 10 CECDRO COc1cccc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)c1O ZINC000769326402 646245818 /nfs/dbraw/zinc/24/58/18/646245818.db2.gz LKHGZXRSUKQLDM-CQSZACIVSA-N 1 0 276.380 2.069 20 10 CECDRO OCCC[N@H+](Cc1c(O)cccc1Cl)C1CC1 ZINC000769405698 646260993 /nfs/dbraw/zinc/26/09/93/646260993.db2.gz WSOKEOCNYMBCDS-UHFFFAOYSA-N 1 0 255.745 2.392 20 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2.054 20 10 CECDRO COC(=O)c1occc1C[NH2+]Cc1cc(C)ccc1O ZINC000862475896 646472976 /nfs/dbraw/zinc/47/29/76/646472976.db2.gz BAJLVFKGRNDUDN-UHFFFAOYSA-N 1 0 275.304 2.370 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CCn2cccn2)c1 ZINC000862475902 646472996 /nfs/dbraw/zinc/47/29/96/646472996.db2.gz BFHQUVWSNICGNA-ZDUSSCGKSA-N 1 0 259.353 2.466 20 10 CECDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000862487863 646478307 /nfs/dbraw/zinc/47/83/07/646478307.db2.gz WVLPKPXISGFUBA-OAHLLOKOSA-N 1 0 288.391 2.494 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1 ZINC000862544540 646491315 /nfs/dbraw/zinc/49/13/15/646491315.db2.gz AYUUBAQWZWSTOS-GDBMZVCRSA-N 1 0 288.391 2.138 20 10 CECDRO Cc1ccc(O)c(CNC(=O)c2ccc(C[NH+](C)C)nc2)c1 ZINC000862755794 646557848 /nfs/dbraw/zinc/55/78/48/646557848.db2.gz KYCDISVLSKJQSY-UHFFFAOYSA-N 1 0 299.374 2.087 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(F)cc1O ZINC000863542020 646751668 /nfs/dbraw/zinc/75/16/68/646751668.db2.gz DJUWHNZCQOTFOF-JIMOISOXSA-N 1 0 252.333 2.322 20 10 CECDRO COc1ccc(O)c([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863547074 646753698 /nfs/dbraw/zinc/75/36/98/646753698.db2.gz OQYVRJZHOKMKHC-WOPDTQHZSA-N 1 0 264.369 2.192 20 10 CECDRO CCC[N@H+](CCO)Cc1ccc(N(C)CC)cc1 ZINC000773728666 646770423 /nfs/dbraw/zinc/77/04/23/646770423.db2.gz FDCHZZJUBHFFDY-UHFFFAOYSA-N 1 0 250.386 2.347 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)C[C@@H]1O ZINC000773827167 646776601 /nfs/dbraw/zinc/77/66/01/646776601.db2.gz VYKAUAKKVHZSNY-ZBFHGGJFSA-N 1 0 262.397 2.345 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)CC)cc2)C[C@H]1O ZINC000773827156 646776746 /nfs/dbraw/zinc/77/67/46/646776746.db2.gz VYKAUAKKVHZSNY-GDBMZVCRSA-N 1 0 262.397 2.345 20 10 CECDRO CCN(CC)c1ccc(CN(C)C[C@@H](C)[NH3+])cc1F ZINC000863652431 646777874 /nfs/dbraw/zinc/77/78/74/646777874.db2.gz STDKSUOIGHMJON-GFCCVEGCSA-N 1 0 267.392 2.451 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1 ZINC000773848989 646780767 /nfs/dbraw/zinc/78/07/67/646780767.db2.gz RCDLVPUWRYFOIU-MRXNPFEDSA-N 1 0 262.397 2.490 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCOCC[C@H]2C)c1O ZINC000774660193 646874437 /nfs/dbraw/zinc/87/44/37/646874437.db2.gz PBISFTHMYXOXON-GFCCVEGCSA-N 1 0 265.353 2.320 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000774828514 646900181 /nfs/dbraw/zinc/90/01/81/646900181.db2.gz CQLDPMDJIWFPLN-RISCZKNCSA-N 1 0 265.353 2.306 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCC[C@H]2OC)c1O ZINC000774831725 646900516 /nfs/dbraw/zinc/90/05/16/646900516.db2.gz YAGORTNXCFWRGP-DGCLKSJQSA-N 1 0 265.353 2.306 20 10 CECDRO COCC[C@]1([NH2+]Cc2cc(C)c(C)cc2O)CCOC1 ZINC000775035235 646917782 /nfs/dbraw/zinc/91/77/82/646917782.db2.gz YAQQGKAVBBQDOE-INIZCTEOSA-N 1 0 279.380 2.294 20 10 CECDRO Cc1noc(CCC[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000775130014 646925848 /nfs/dbraw/zinc/92/58/48/646925848.db2.gz KKWMRWNUIYWQEG-JTQLQIEISA-N 1 0 261.325 2.367 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000775315706 646938739 /nfs/dbraw/zinc/93/87/39/646938739.db2.gz PELOPESCIIYASX-CQSZACIVSA-N 1 0 287.359 2.094 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cc(Cl)ccc1O ZINC000775514001 646961355 /nfs/dbraw/zinc/96/13/55/646961355.db2.gz QMVCMVOXGVYEOJ-GZMMTYOYSA-N 1 0 270.760 2.350 20 10 CECDRO CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775830167 646997009 /nfs/dbraw/zinc/99/70/09/646997009.db2.gz DXOPCCZSOYDGRT-STQMWFEESA-N 1 0 277.412 2.318 20 10 CECDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000775834282 646997892 /nfs/dbraw/zinc/99/78/92/646997892.db2.gz MUAZSSHDCVXCCT-TZMCWYRMSA-N 1 0 276.380 2.356 20 10 CECDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCc1ccc(N2CC=CC2)cc1 ZINC000864462690 647017516 /nfs/dbraw/zinc/01/75/16/647017516.db2.gz WQGZIGXCEMFWGH-WFASDCNBSA-N 1 0 270.380 2.085 20 10 CECDRO COc1cc(O)c(C[NH2+]CCOC(C)(C)C)cc1OC ZINC000776118628 647026173 /nfs/dbraw/zinc/02/61/73/647026173.db2.gz SQEJPPPEFBTROG-UHFFFAOYSA-N 1 0 283.368 2.314 20 10 CECDRO COC(=O)CC1([NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000777440735 647136792 /nfs/dbraw/zinc/13/67/92/647136792.db2.gz KMTJDJGORGVFLL-UHFFFAOYSA-N 1 0 275.348 2.197 20 10 CECDRO Oc1ccccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000779023971 647283319 /nfs/dbraw/zinc/28/33/19/647283319.db2.gz AEVVDJBYAYXUOV-OAHLLOKOSA-N 1 0 277.364 2.162 20 10 CECDRO OC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000779092553 647286983 /nfs/dbraw/zinc/28/69/83/647286983.db2.gz IQEXAGJHIWXRSQ-GSJFWJNXSA-N 1 0 253.317 2.172 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2CCO)c(O)c1 ZINC000779203092 647297955 /nfs/dbraw/zinc/29/79/55/647297955.db2.gz YHNVPWRHLMENSY-ZDUSSCGKSA-N 1 0 265.353 2.138 20 10 CECDRO C[C@@H](CCO)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000779342837 647314338 /nfs/dbraw/zinc/31/43/38/647314338.db2.gz TUWMGVUZCRRLBS-ZDUSSCGKSA-N 1 0 280.437 2.100 20 10 CECDRO CCC[C@H](CCO)[NH2+]Cc1c(O)cccc1OC ZINC000865663264 647413610 /nfs/dbraw/zinc/41/36/10/647413610.db2.gz NJFUJTCEWAVXFP-LLVKDONJSA-N 1 0 253.342 2.042 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000865675391 647418687 /nfs/dbraw/zinc/41/86/87/647418687.db2.gz ZJFJYIIDJBZCNZ-LBPRGKRZSA-N 1 0 295.379 2.280 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@@H]1F)OCO2 ZINC000865698512 647429585 /nfs/dbraw/zinc/42/95/85/647429585.db2.gz BIACYDQGLWDXFF-WDEREUQCSA-N 1 0 267.300 2.491 20 10 CECDRO CN(C)c1ccc(CN(C)CC[NH+]2CCCC2)cc1 ZINC000780896388 647478440 /nfs/dbraw/zinc/47/84/40/647478440.db2.gz MTQAMFKBRSSKTO-UHFFFAOYSA-N 1 0 261.413 2.280 20 10 CECDRO COC1CCN(CC[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000783518534 647723864 /nfs/dbraw/zinc/72/38/64/647723864.db2.gz DJGQQEWVVJTQPP-CYBMUJFWSA-N 1 0 278.396 2.154 20 10 CECDRO C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccccc1O ZINC000783524595 647724459 /nfs/dbraw/zinc/72/44/59/647724459.db2.gz HNDWJRMRFZTPTE-LBPRGKRZSA-N 1 0 297.420 2.258 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1O ZINC000866447014 647790671 /nfs/dbraw/zinc/79/06/71/647790671.db2.gz VWBURGRUHZPJHT-SDLAMPMRSA-N 1 0 289.375 2.475 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1 ZINC000866463377 647796316 /nfs/dbraw/zinc/79/63/16/647796316.db2.gz NGQLYBXMURKFPW-YVZVNANGSA-N 1 0 293.285 2.363 20 10 CECDRO COCC[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCOC1 ZINC000787335921 648100359 /nfs/dbraw/zinc/10/03/59/648100359.db2.gz VONBCYVFQAGIAZ-CYBMUJFWSA-N 1 0 285.771 2.283 20 10 CECDRO CCOc1ccc(C[N@H+](CCOC)[C@H]2CCOC2)c(O)c1 ZINC000787334961 648100922 /nfs/dbraw/zinc/10/09/22/648100922.db2.gz NUPATHKFGKNLSX-AWEZNQCLSA-N 1 0 295.379 2.028 20 10 CECDRO C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868366662 648109733 /nfs/dbraw/zinc/10/97/33/648109733.db2.gz TZMTXBADJHSHBC-VXGBXAGGSA-N 1 0 279.384 2.093 20 10 CECDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000788269416 648165980 /nfs/dbraw/zinc/16/59/80/648165980.db2.gz NITHILVXFLXPDM-LDYMZIIASA-N 1 0 286.169 2.110 20 10 CECDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868626393 648200863 /nfs/dbraw/zinc/20/08/63/648200863.db2.gz IWMVKWVUDRHGKZ-OLZOCXBDSA-N 1 0 293.411 2.481 20 10 CECDRO CC[S@](=O)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788590766 648204585 /nfs/dbraw/zinc/20/45/85/648204585.db2.gz GOOFDMAMBOOOLE-XIKOKIGWSA-N 1 0 269.410 2.428 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)COCC2CC2)c(O)c1 ZINC000788584283 648204864 /nfs/dbraw/zinc/20/48/64/648204864.db2.gz NIFVZRJSEJXWJR-DZGCQCFKSA-N 1 0 293.407 2.447 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCS(C)(=O)=O)c(O)c1 ZINC000788643804 648210224 /nfs/dbraw/zinc/21/02/24/648210224.db2.gz HKMNQQKRVPZFGX-GFCCVEGCSA-N 1 0 285.409 2.094 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]2(C)CO)c1O ZINC000789557074 648317059 /nfs/dbraw/zinc/31/70/59/648317059.db2.gz FXNHPAQJWZUYOA-AWEZNQCLSA-N 1 0 285.771 2.401 20 10 CECDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000840826235 648400589 /nfs/dbraw/zinc/40/05/89/648400589.db2.gz IRLIDWRZDORRDB-LJUAHTATSA-N 1 0 271.744 2.110 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1O ZINC000790936444 648461974 /nfs/dbraw/zinc/46/19/74/648461974.db2.gz CVKAHIXSIDAKQB-GFCCVEGCSA-N 1 0 285.771 2.257 20 10 CECDRO C[N@H+](CCC(=O)Nc1cccnc1)Cc1ccccc1O ZINC000792250601 648630218 /nfs/dbraw/zinc/63/02/18/648630218.db2.gz WOTZUAVZWSTFQI-UHFFFAOYSA-N 1 0 285.347 2.248 20 10 CECDRO COc1cc(O)c(C[N@H+]2[C@H](C)C[C@@H]2C)cc1OC ZINC000793221027 648725781 /nfs/dbraw/zinc/72/57/81/648725781.db2.gz URPUPQBTGJRMAK-AOOOYVTPSA-N 1 0 251.326 2.392 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CO)CC2CCC2)c(O)c1 ZINC000793321086 648742609 /nfs/dbraw/zinc/74/26/09/648742609.db2.gz GGWZUAPIJUAKGH-AWEZNQCLSA-N 1 0 279.380 2.432 20 10 CECDRO COc1ccc(C[NH2+]Cc2c(Cl)cnn2C)c(O)c1 ZINC000793388686 648749312 /nfs/dbraw/zinc/74/93/12/648749312.db2.gz RKCIGRRORHLYOL-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000870988397 648971147 /nfs/dbraw/zinc/97/11/47/648971147.db2.gz ONXYDYVKNRWPHI-RYUDHWBXSA-N 1 0 262.353 2.102 20 10 CECDRO C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1ccccc1O ZINC000870988316 648971322 /nfs/dbraw/zinc/97/13/22/648971322.db2.gz MGZSGATXOHLYQL-UTUOFQBUSA-N 1 0 262.353 2.087 20 10 CECDRO C[C@H](NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])c1ccccc1O ZINC000870988479 648971348 /nfs/dbraw/zinc/97/13/48/648971348.db2.gz QPFKKVBWPMONMD-NORZTCDRSA-N 1 0 276.380 2.477 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1 ZINC000872111245 649281191 /nfs/dbraw/zinc/28/11/91/649281191.db2.gz BKDUTHDEOWJGKP-NWDGAFQWSA-N 1 0 293.363 2.395 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1Cl ZINC000872265865 649334278 /nfs/dbraw/zinc/33/42/78/649334278.db2.gz NBSGDNBHTQVOFM-TXEJJXNPSA-N 1 0 267.756 2.432 20 10 CECDRO COc1cc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c(O)cc1C ZINC000872723233 649469083 /nfs/dbraw/zinc/46/90/83/649469083.db2.gz KCLPHBZQTGZKDN-HIFRSBDPSA-N 1 0 290.407 2.235 20 10 CECDRO COc1cc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(O)cc1C ZINC000872723234 649469122 /nfs/dbraw/zinc/46/91/22/649469122.db2.gz KCLPHBZQTGZKDN-UKRRQHHQSA-N 1 0 290.407 2.235 20 10 CECDRO CCCOc1ccc(C[NH2+]CCC(=O)NC)cc1C ZINC000873023976 649534556 /nfs/dbraw/zinc/53/45/56/649534556.db2.gz CZWKAXOIYNCQJQ-UHFFFAOYSA-N 1 0 264.369 2.010 20 10 CECDRO CCCOc1ccc(C[NH2+]C2(CO)CCOCC2)cc1C ZINC000873051564 649544299 /nfs/dbraw/zinc/54/42/99/649544299.db2.gz CYDKRTZYDCPHQB-UHFFFAOYSA-N 1 0 293.407 2.415 20 10 CECDRO CC[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+](C)C ZINC000124610512 649719002 /nfs/dbraw/zinc/71/90/02/649719002.db2.gz DLDQEPIEANXHHI-OAHLLOKOSA-N 1 0 277.412 2.051 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CCc2ncnn21)c1ccc(N(C)C)cc1 ZINC000878454347 651100842 /nfs/dbraw/zinc/10/08/42/651100842.db2.gz CDMFWTQEPNEAHU-SWLSCSKDSA-N 1 0 285.395 2.182 20 10 CECDRO CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647864 651335070 /nfs/dbraw/zinc/33/50/70/651335070.db2.gz OJJGDLXXJCJBLO-VXGBXAGGSA-N 1 0 264.369 2.204 20 10 CECDRO C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]2NC1=O)c1ccccc1O ZINC000879648827 651335192 /nfs/dbraw/zinc/33/51/92/651335192.db2.gz BIDHWXKDJJIONL-AYRXBEOTSA-N 1 0 288.391 2.490 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(F)cc1[O-] ZINC000128115993 651365761 /nfs/dbraw/zinc/36/57/61/651365761.db2.gz FZTFEFUXECSAGL-CKLFPEKLSA-N 1 0 253.317 2.341 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCOC[C@H]2OC)cc1 ZINC000880438150 651441329 /nfs/dbraw/zinc/44/13/29/651441329.db2.gz XRMRCNHPFUOKCE-IAGOWNOFSA-N 1 0 292.423 2.378 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccncc2N)c1 ZINC000883156806 652381960 /nfs/dbraw/zinc/38/19/60/652381960.db2.gz ZYHUWRHABJYCGK-JTQLQIEISA-N 1 0 273.336 2.229 20 10 CECDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccccc1O ZINC000883277006 652422190 /nfs/dbraw/zinc/42/21/90/652422190.db2.gz SODRYWFSHHGBRW-JSGCOSHPSA-N 1 0 275.348 2.487 20 10 CECDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1cc(Cl)ccc1O ZINC000131512842 652431932 /nfs/dbraw/zinc/43/19/32/652431932.db2.gz VEINKGLCXFLPLA-CABZTGNLSA-N 1 0 254.761 2.357 20 10 CECDRO [NH3+][C@H](CC1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000884193392 652747943 /nfs/dbraw/zinc/74/79/43/652747943.db2.gz FEMHDBBKMRLGOW-MRXNPFEDSA-N 1 0 287.407 2.030 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000134236142 652796245 /nfs/dbraw/zinc/79/62/45/652796245.db2.gz XFIYPHOFASLIKB-UHFFFAOYSA-N 1 0 280.331 2.467 20 10 CECDRO CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000135719080 652980139 /nfs/dbraw/zinc/98/01/39/652980139.db2.gz DPKJLZQKCCVJHP-NEPJUHHUSA-N 1 0 264.369 2.204 20 10 CECDRO Cc1cccc(C[NH2+]CCC(=O)NC(C)(C)C)c1O ZINC000135779528 652990059 /nfs/dbraw/zinc/99/00/59/652990059.db2.gz PGVHWKFHBOXSFB-UHFFFAOYSA-N 1 0 264.369 2.095 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCN2CCC2)cc1 ZINC000697428437 806370753 /nfs/dbraw/zinc/37/07/53/806370753.db2.gz IEDSRWMUOXDXGN-UHFFFAOYSA-N 1 0 261.413 2.328 20 10 CECDRO C[N@@H+](Cc1ccccc1O)CC1COC(C)(C)OC1 ZINC001209199416 802481893 /nfs/dbraw/zinc/48/18/93/802481893.db2.gz ZIUMONMFFAOQBB-UHFFFAOYSA-N 1 0 265.353 2.223 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1F ZINC001140283211 802792936 /nfs/dbraw/zinc/79/29/36/802792936.db2.gz PCAPLLUJXCWIQA-DYVFJYSZSA-N 1 0 292.398 2.438 20 10 CECDRO CC[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000723545752 802884677 /nfs/dbraw/zinc/88/46/77/802884677.db2.gz KUPDQAUYKDMVJQ-TZMCWYRMSA-N 1 0 276.380 2.301 20 10 CECDRO CN1C[C@H](CC[NH2+]Cc2cc(Cl)ccc2O)CC1=O ZINC000723595655 802898222 /nfs/dbraw/zinc/89/82/22/802898222.db2.gz ZNJGIULLZWVZRU-SNVBAGLBSA-N 1 0 282.771 2.004 20 10 CECDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140623590 803247082 /nfs/dbraw/zinc/24/70/82/803247082.db2.gz XFLPYSCARHLOCR-JSGCOSHPSA-N 1 0 277.364 2.332 20 10 CECDRO COC[C@H](CC[NH2+][C@H](C)c1ccc(N(C)C)cc1)OC ZINC000694362280 803539418 /nfs/dbraw/zinc/53/94/18/803539418.db2.gz VQWBFQVFWCYXLX-CJNGLKHVSA-N 1 0 280.412 2.455 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1C ZINC000694591063 803571012 /nfs/dbraw/zinc/57/10/12/803571012.db2.gz QUBLLVKNXSCBEG-AWEZNQCLSA-N 1 0 297.420 2.061 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccccc1O ZINC000694591865 803571779 /nfs/dbraw/zinc/57/17/79/803571779.db2.gz WUQZTIWNNVJSTO-OCCSQVGLSA-N 1 0 297.420 2.400 20 10 CECDRO CON1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000692192929 803887446 /nfs/dbraw/zinc/88/74/46/803887446.db2.gz WUXIVMWEZRDULS-UHFFFAOYSA-N 1 0 270.760 2.161 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nncn2C)c1 ZINC000037017585 814984340 /nfs/dbraw/zinc/98/43/40/814984340.db2.gz CSQJKVFWYYXPHA-MNOVXSKESA-N 1 0 260.341 2.241 20 10 CECDRO [NH3+]C[C@@H](NCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001118335329 815004419 /nfs/dbraw/zinc/00/44/19/815004419.db2.gz MFXYYJVFBAZPHM-CYBMUJFWSA-N 1 0 287.329 2.266 20 10 CECDRO CC(C)O[C@@]1(C[NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000722356432 804351953 /nfs/dbraw/zinc/35/19/53/804351953.db2.gz PMADWBHXEQLVFB-OAHLLOKOSA-N 1 0 283.343 2.205 20 10 CECDRO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1=O ZINC000722355840 804353486 /nfs/dbraw/zinc/35/34/86/804353486.db2.gz HFARTLFKRFEZTR-MFKMUULPSA-N 1 0 280.343 2.193 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000698600448 807253167 /nfs/dbraw/zinc/25/31/67/807253167.db2.gz MLJZZZKPYOPJII-GFCCVEGCSA-N 1 0 277.286 2.358 20 10 CECDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccccc2O)cc1 ZINC000188981677 808109487 /nfs/dbraw/zinc/10/94/87/808109487.db2.gz AFAFBAYZJZPMHJ-MRXNPFEDSA-N 1 0 271.360 2.394 20 10 CECDRO Cc1cccc(O)c1CN1CC([NH+]2CCCCC2)C1 ZINC001237488436 808221495 /nfs/dbraw/zinc/22/14/95/808221495.db2.gz XRLMKXCGNZVRNL-UHFFFAOYSA-N 1 0 260.381 2.371 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)cccc2O)CC12CC2 ZINC001237491669 808221529 /nfs/dbraw/zinc/22/15/29/808221529.db2.gz QKBINWYOQKGQIU-CYBMUJFWSA-N 1 0 275.348 2.086 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000691255838 808260937 /nfs/dbraw/zinc/26/09/37/808260937.db2.gz FSVFFTMFKJVUHA-GOEBONIOSA-N 1 0 260.381 2.410 20 10 CECDRO CC(C)OC(=O)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001120268164 815209151 /nfs/dbraw/zinc/20/91/51/815209151.db2.gz AYIWJMIMLQBHQF-UHFFFAOYSA-N 1 0 276.380 2.432 20 10 CECDRO Cc1cc(C)n(CCN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000386806218 808588534 /nfs/dbraw/zinc/58/85/34/808588534.db2.gz CRNFNFVPRCANHE-UHFFFAOYSA-N 1 0 284.407 2.411 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)[C@@H]1C ZINC001203557098 808701182 /nfs/dbraw/zinc/70/11/82/808701182.db2.gz ZDAVMESMQFLTGP-DGCLKSJQSA-N 1 0 263.337 2.166 20 10 CECDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922017128 809012073 /nfs/dbraw/zinc/01/20/73/809012073.db2.gz LOLIRIHJLIELMU-GJZGRUSLSA-N 1 0 261.365 2.261 20 10 CECDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000922588887 809167261 /nfs/dbraw/zinc/16/72/61/809167261.db2.gz DHGPMIPKXHTSRU-INIZCTEOSA-N 1 0 292.423 2.204 20 10 CECDRO CCn1cc(CN2CCCc3cc(C[NH3+])ccc32)cn1 ZINC000700899195 809369538 /nfs/dbraw/zinc/36/95/38/809369538.db2.gz NLTCQCQSWQYEDN-UHFFFAOYSA-N 1 0 270.380 2.315 20 10 CECDRO C[N@H+]1CC=C(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703417762 809648756 /nfs/dbraw/zinc/64/87/56/809648756.db2.gz PXSTUBYEBJUPQK-UHFFFAOYSA-N 1 0 268.307 2.022 20 10 CECDRO CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703394790 809649622 /nfs/dbraw/zinc/64/96/22/809649622.db2.gz MLAVXJZSQSYEHC-LLVKDONJSA-N 1 0 284.350 2.492 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)[C@@H](CO)SC)c1O ZINC000709456727 809961882 /nfs/dbraw/zinc/96/18/82/809961882.db2.gz SZWLMVMWPYXEKN-ZWNOBZJWSA-N 1 0 269.410 2.157 20 10 CECDRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000709607533 809967276 /nfs/dbraw/zinc/96/72/76/809967276.db2.gz QDQRENDFQDWQPE-CYBMUJFWSA-N 1 0 298.452 2.228 20 10 CECDRO CCOC(=O)c1ncc(C[NH2+]Cc2ccccc2O)s1 ZINC000711420998 810070228 /nfs/dbraw/zinc/07/02/28/810070228.db2.gz KLIXJUPDOWQAPB-UHFFFAOYSA-N 1 0 292.360 2.315 20 10 CECDRO Nc1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2Cc2ccccc2)cc1 ZINC001121893132 815364543 /nfs/dbraw/zinc/36/45/43/815364543.db2.gz UAZRJLBVCZWYQW-RHSMWYFYSA-N 1 0 295.386 2.286 20 10 CECDRO COc1ccc(C[NH2+]C/C=C\C2CC2)c(O)c1OC ZINC001120056492 810583510 /nfs/dbraw/zinc/58/35/10/810583510.db2.gz BPHMSRBWLCXREX-ARJAWSKDSA-N 1 0 263.337 2.465 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+]C1CCOCC1 ZINC000691429104 811658945 /nfs/dbraw/zinc/65/89/45/811658945.db2.gz OSDGYAYMUZIJLF-UHFFFAOYSA-N 1 0 286.169 2.423 20 10 CECDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691455879 811861079 /nfs/dbraw/zinc/86/10/79/811861079.db2.gz RTDQSOCOTUHEFF-DTWKUNHWSA-N 1 0 288.185 2.261 20 10 CECDRO [NH3+][C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1F ZINC001206185994 815568021 /nfs/dbraw/zinc/56/80/21/815568021.db2.gz PQULNPHMOZLYPQ-NEPJUHHUSA-N 1 0 272.751 2.307 20 10 CECDRO [NH3+][C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1F ZINC001206185996 815567502 /nfs/dbraw/zinc/56/75/02/815567502.db2.gz PQULNPHMOZLYPQ-NWDGAFQWSA-N 1 0 272.751 2.307 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H](OC)C2CC2)c1 ZINC000388240757 813233992 /nfs/dbraw/zinc/23/39/92/813233992.db2.gz QNDODUNXIXYKOJ-BMIGLBTASA-N 1 0 265.353 2.304 20 10 CECDRO COCC[C@H](COC)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000389101791 813247863 /nfs/dbraw/zinc/24/78/63/813247863.db2.gz OOIPZRBSHJLKJB-CHWSQXEVSA-N 1 0 267.369 2.403 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cnccn2)c1 ZINC000390142733 813259181 /nfs/dbraw/zinc/25/91/81/813259181.db2.gz UNXRHBTYCDMTCC-GFCCVEGCSA-N 1 0 257.337 2.384 20 10 CECDRO C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)cc1[O-] ZINC000392222453 813299674 /nfs/dbraw/zinc/29/96/74/813299674.db2.gz LLYHTAXZJJMTIV-NSHDSACASA-N 1 0 264.344 2.444 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(=O)[nH]c2)c1 ZINC000392684107 813307499 /nfs/dbraw/zinc/30/74/99/813307499.db2.gz NJOPKNZZHKXBQF-JTQLQIEISA-N 1 0 274.320 2.352 20 10 CECDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(N)cc1 ZINC000394278906 813370429 /nfs/dbraw/zinc/37/04/29/813370429.db2.gz FGFWJTKLDJMSHR-CABCVRRESA-N 1 0 288.395 2.359 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC2(CO)CC2)c1 ZINC000395866971 813544801 /nfs/dbraw/zinc/54/48/01/813544801.db2.gz HLDPHXMHULHVRL-NSHDSACASA-N 1 0 265.353 2.214 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CCOC2)c1 ZINC000397117926 813601640 /nfs/dbraw/zinc/60/16/40/813601640.db2.gz JYCGYJHRZLWNEQ-ABAIWWIYSA-N 1 0 265.353 2.478 20 10 CECDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000397769725 813637260 /nfs/dbraw/zinc/63/72/60/813637260.db2.gz KQJYXHMNENUURN-OAHLLOKOSA-N 1 0 292.423 2.021 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c1O ZINC000398072110 813654534 /nfs/dbraw/zinc/65/45/34/813654534.db2.gz AHCCKYQYRVNMKM-YPMHNXCESA-N 1 0 265.353 2.448 20 10 CECDRO COc1cccc(C[NH2+]CCOC(F)(F)F)c1O ZINC000398279780 813667991 /nfs/dbraw/zinc/66/79/91/813667991.db2.gz ZLXPTDPWRDNBBM-UHFFFAOYSA-N 1 0 265.231 2.027 20 10 CECDRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)sn1 ZINC000399018712 813691240 /nfs/dbraw/zinc/69/12/40/813691240.db2.gz CVRWHIDOQFOMRB-UHFFFAOYSA-N 1 0 276.361 2.376 20 10 CECDRO Oc1cc(O)c(C[NH+]2CC(c3ccccc3)C2)c(O)c1 ZINC001144514775 814098121 /nfs/dbraw/zinc/09/81/21/814098121.db2.gz RPGIHYFCFVSKSH-UHFFFAOYSA-N 1 0 271.316 2.403 20 10 CECDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000712555781 814765836 /nfs/dbraw/zinc/76/58/36/814765836.db2.gz HIJWXMFMQVIHCI-CJNGLKHVSA-N 1 0 261.413 2.497 20 10 CECDRO COc1ccc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1C ZINC000714351719 814898129 /nfs/dbraw/zinc/89/81/29/814898129.db2.gz MWUSIGKKUXVNSA-AWEZNQCLSA-N 1 0 297.420 2.061 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2ccc[nH]c2=O)cc1 ZINC000714954685 814923754 /nfs/dbraw/zinc/92/37/54/814923754.db2.gz WJFMWJFPRKVMRM-UHFFFAOYSA-N 1 0 257.337 2.143 20 10 CECDRO CCSC[C@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001173286876 815670057 /nfs/dbraw/zinc/67/00/57/815670057.db2.gz DEZXURDNXFAPBR-JTQLQIEISA-N 1 0 255.383 2.372 20 10 CECDRO CC[N@@H+]1CCN(Cc2c(O)cccc2F)[C@H](C)C1 ZINC001137841373 815693938 /nfs/dbraw/zinc/69/39/38/815693938.db2.gz BXNMFTGOOGMQPR-LLVKDONJSA-N 1 0 252.333 2.057 20 10 CECDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC001138122490 815730799 /nfs/dbraw/zinc/73/07/99/815730799.db2.gz IQYBWOJAKONZMI-WDEREUQCSA-N 1 0 253.317 2.124 20 10 CECDRO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001173634986 815773678 /nfs/dbraw/zinc/77/36/78/815773678.db2.gz HYMPKCVAACGLBB-WCQYABFASA-N 1 0 293.363 2.309 20 10 CECDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356427 815775342 /nfs/dbraw/zinc/77/53/42/815775342.db2.gz NXUBSDAKCPCXCJ-CZUORRHYSA-N 1 0 274.408 2.414 20 10 CECDRO CN1CCCc2cc(C[N@H+](C)[C@H]3CCOC3)ccc21 ZINC001138358774 815775599 /nfs/dbraw/zinc/77/55/99/815775599.db2.gz ZNKNQZHOFDBTCP-HNNXBMFYSA-N 1 0 260.381 2.290 20 10 CECDRO CC[N@H+](CCC(=O)OC)Cc1ccc2c(c1)CCCN2C ZINC001138359277 815776901 /nfs/dbraw/zinc/77/69/01/815776901.db2.gz PCHHWLWESGUHEI-UHFFFAOYSA-N 1 0 290.407 2.454 20 10 CECDRO C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(F)c(F)cc2[O-])C1 ZINC001206215193 815809148 /nfs/dbraw/zinc/80/91/48/815809148.db2.gz MXKWSUOCXNGUJR-NSHDSACASA-N 1 0 284.350 2.492 20 10 CECDRO O=c1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c[nH]1 ZINC001139469584 816031349 /nfs/dbraw/zinc/03/13/49/816031349.db2.gz YJEPDXBLQVDZTQ-UHFFFAOYSA-N 1 0 256.305 2.051 20 10 CECDRO COC(=O)c1ccc(C[N@@H+]2CCc3cccc(O)c3C2)nc1 ZINC001139496789 816036233 /nfs/dbraw/zinc/03/62/33/816036233.db2.gz MIECTIVYDWHECP-UHFFFAOYSA-N 1 0 298.342 2.132 20 10 CECDRO C[N@@H+]1C[C@H]2CCCN(Cc3cc(F)ccc3O)[C@H]2C1 ZINC001140055342 816178908 /nfs/dbraw/zinc/17/89/08/816178908.db2.gz SGAUYWLPDVOBDM-RISCZKNCSA-N 1 0 264.344 2.057 20 10 CECDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140058705 816180703 /nfs/dbraw/zinc/18/07/03/816180703.db2.gz IDIRYZRZFZLDIA-LLVKDONJSA-N 1 0 281.327 2.306 20 10 CECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1)C1CC1 ZINC001140060155 816180850 /nfs/dbraw/zinc/18/08/50/816180850.db2.gz NGGQTQQYBIYZDL-CQSZACIVSA-N 1 0 292.354 2.022 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1O ZINC001140178632 816204160 /nfs/dbraw/zinc/20/41/60/816204160.db2.gz RPWXMWKEGFZURS-INIZCTEOSA-N 1 0 277.364 2.000 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2CCc3c(ncn3C)C2)c1O ZINC001140183775 816206321 /nfs/dbraw/zinc/20/63/21/816206321.db2.gz IUBSADJCIWBCBT-UHFFFAOYSA-N 1 0 271.364 2.301 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)c1O ZINC001140185498 816207164 /nfs/dbraw/zinc/20/71/64/816207164.db2.gz XLNFSIAZFBLYKW-AWEZNQCLSA-N 1 0 299.374 2.452 20 10 CECDRO Oc1cc(Cl)ccc1C[NH+]1CCC2(C[C@@H](O)CO2)CC1 ZINC001140462904 816259488 /nfs/dbraw/zinc/25/94/88/816259488.db2.gz NWUBCWBUTPUJDL-CYBMUJFWSA-N 1 0 297.782 2.161 20 10 CECDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3O)C[C@@H]21 ZINC001140465665 816262133 /nfs/dbraw/zinc/26/21/33/816262133.db2.gz QIOVPGNEVQHYBB-IMRBUKKESA-N 1 0 295.766 2.287 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](N(C)C3CC3)C2)c1 ZINC001140623686 816306878 /nfs/dbraw/zinc/30/68/78/816306878.db2.gz PVGNOYXITPUEQR-HNNXBMFYSA-N 1 0 260.381 2.369 20 10 CECDRO COC(=O)C[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140624179 816307346 /nfs/dbraw/zinc/30/73/46/816307346.db2.gz 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/nfs/dbraw/zinc/34/30/40/816343040.db2.gz SMYICVIJSPBOSV-LBPRGKRZSA-N 1 0 278.396 2.321 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC001140853017 816383863 /nfs/dbraw/zinc/38/38/63/816383863.db2.gz JEACTLIDSMKHRV-GASCZTMLSA-N 1 0 290.407 2.317 20 10 CECDRO Cc1ccc(C[N@H+]2CCC[C@H]3CN(C)C[C@@H]32)c(O)c1 ZINC001140951118 816423393 /nfs/dbraw/zinc/42/33/93/816423393.db2.gz ZOBIKLUWPFQFCV-ZFWWWQNUSA-N 1 0 260.381 2.227 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001140954767 816423887 /nfs/dbraw/zinc/42/38/87/816423887.db2.gz YNDXUMARTFZGFP-HNNXBMFYSA-N 1 0 299.374 2.452 20 10 CECDRO CCOC1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141026887 816448880 /nfs/dbraw/zinc/44/88/80/816448880.db2.gz GSFUFLXZYOWDPO-UHFFFAOYSA-N 1 0 295.379 2.410 20 10 CECDRO Cc1cccnc1N1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141155770 816488073 /nfs/dbraw/zinc/48/80/73/816488073.db2.gz JGGZQBQHQSCKIY-UHFFFAOYSA-N 1 0 299.374 2.123 20 10 CECDRO C[N@H+](Cc1cccc(O)c1)Cc1cc(O)ccc1O ZINC001141156912 816490515 /nfs/dbraw/zinc/49/05/15/816490515.db2.gz XPURFZPXCVJMLQ-UHFFFAOYSA-N 1 0 259.305 2.435 20 10 CECDRO CCOC(=O)[C@H]1CCCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159279 816490575 /nfs/dbraw/zinc/49/05/75/816490575.db2.gz CBWZNZHBSGJCFZ-LBPRGKRZSA-N 1 0 293.363 2.263 20 10 CECDRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141160343 816492244 /nfs/dbraw/zinc/49/22/44/816492244.db2.gz WPPJOANVTRSTPJ-CJNGLKHVSA-N 1 0 277.364 2.346 20 10 CECDRO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(F)c(F)cc3[O-])C[C@@H]2C1 ZINC001142512957 816679207 /nfs/dbraw/zinc/67/92/07/816679207.db2.gz RAFNCMHPJGLCPN-PWSUYJOCSA-N 1 0 282.334 2.054 20 10 CECDRO Oc1cc(F)c(F)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001142525004 816681009 /nfs/dbraw/zinc/68/10/09/816681009.db2.gz SQYQEEAAEJUDEO-LBPRGKRZSA-N 1 0 282.334 2.341 20 10 CECDRO Cc1cc(C)c(CNC(=O)[C@@H]2CCCC[N@H+]2C)c(O)c1 ZINC001178702258 816788331 /nfs/dbraw/zinc/78/83/31/816788331.db2.gz UTLWOTLJYKKXAQ-AWEZNQCLSA-N 1 0 276.380 2.110 20 10 CECDRO CCOc1cccc(C[NH2+]CCC(=O)N[C@@H](C)CC)c1O ZINC000038013684 361981218 /nfs/dbraw/zinc/98/12/18/361981218.db2.gz NCMWZISPAKNLFC-LBPRGKRZSA-N 1 0 294.395 2.185 20 10 CECDRO COc1ccc(N2CCC[N@H+](CCC(C)=O)CC2)cc1 ZINC000128295757 365784320 /nfs/dbraw/zinc/78/43/20/365784320.db2.gz QKXVILMFPAMIDB-UHFFFAOYSA-N 1 0 276.380 2.186 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1F ZINC000126085804 282289512 /nfs/dbraw/zinc/28/95/12/282289512.db2.gz QUKFQGRGHBKOGU-UHFFFAOYSA-N 1 0 294.370 2.231 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 ZINC000092105812 344177452 /nfs/dbraw/zinc/17/74/52/344177452.db2.gz RDLMCRHBKVBAIQ-UKRRQHHQSA-N 1 0 288.391 2.191 20 10 CECDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1O ZINC000271347281 344667287 /nfs/dbraw/zinc/66/72/87/344667287.db2.gz PHTPFWLIDFJDAV-WFASDCNBSA-N 1 0 266.360 2.094 20 10 CECDRO OCCN(Cc1cccnc1)Cc1c(O)cccc1Cl ZINC000131796911 366089355 /nfs/dbraw/zinc/08/93/55/366089355.db2.gz OZNWJEONHDWODM-UHFFFAOYSA-N 1 0 292.766 2.435 20 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20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(O)C2)c1O ZINC000180634557 368390474 /nfs/dbraw/zinc/39/04/74/368390474.db2.gz JUSQLNWXCLJQEU-CYBMUJFWSA-N 1 0 255.745 2.311 20 10 CECDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000184569005 368704226 /nfs/dbraw/zinc/70/42/26/368704226.db2.gz LMUCOYQKLYPMFG-UWVGGRQHSA-N 1 0 269.316 2.209 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C[C@H]1C ZINC000188112914 369298442 /nfs/dbraw/zinc/29/84/42/369298442.db2.gz ZSOKAMGKIZTMFK-TZMCWYRMSA-N 1 0 277.364 2.332 20 10 CECDRO CCCOc1ccc(C[NH2+]CC2(C(=O)OC)CC2)c(O)c1 ZINC000188670818 369392223 /nfs/dbraw/zinc/39/22/23/369392223.db2.gz LHOOSVZPIVSXFI-UHFFFAOYSA-N 1 0 293.363 2.224 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1O ZINC000189951038 369581240 /nfs/dbraw/zinc/58/12/40/369581240.db2.gz PJGPTFHBFWIAQV-DGCLKSJQSA-N 1 0 265.353 2.042 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000189958908 369583322 /nfs/dbraw/zinc/58/33/22/369583322.db2.gz 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ZINC000367687695 373180588 /nfs/dbraw/zinc/18/05/88/373180588.db2.gz LHGRVKPPMIBDMO-STRQVWJDSA-N 1 0 251.301 2.074 20 10 CECDRO CCCOc1ccc(C[N@H+](CC)CCCO)c(O)c1 ZINC000271213307 373181786 /nfs/dbraw/zinc/18/17/86/373181786.db2.gz VSNJKHQHZPHTJF-UHFFFAOYSA-N 1 0 267.369 2.385 20 10 CECDRO CCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)c(O)c1 ZINC000271279558 373186327 /nfs/dbraw/zinc/18/63/27/373186327.db2.gz LTBPWZQOCBBGRX-LRDDRELGSA-N 1 0 279.380 2.384 20 10 CECDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccccc1O ZINC000367785884 373188518 /nfs/dbraw/zinc/18/85/18/373188518.db2.gz XEPVDVDTWKCWMC-STQMWFEESA-N 1 0 286.379 2.055 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1OC ZINC000271794260 373201311 /nfs/dbraw/zinc/20/13/11/373201311.db2.gz HQRSXLQFHNRNSX-JQWIXIFHSA-N 1 0 281.352 2.067 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000271782141 373201623 /nfs/dbraw/zinc/20/16/23/373201623.db2.gz HVFRBLXQJKIEGN-AAEUAGOBSA-N 1 0 265.353 2.136 20 10 CECDRO C[C@H]([NH2+]CCF)c1ccc(N2CCOCC2)cc1 ZINC000271767149 373201649 /nfs/dbraw/zinc/20/16/49/373201649.db2.gz FCWCTVFDAKLVGX-LBPRGKRZSA-N 1 0 252.333 2.143 20 10 CECDRO COCCN1CC[C@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000271873088 373203636 /nfs/dbraw/zinc/20/36/36/373203636.db2.gz YJBCBYOWRJRGPJ-AWEZNQCLSA-N 1 0 298.814 2.164 20 10 CECDRO CN(C)c1ccc(C[N@H+](CC2OCCO2)C2CC2)cc1 ZINC000272094155 373303661 /nfs/dbraw/zinc/30/36/61/373303661.db2.gz MLAYQCYHWBDQDO-UHFFFAOYSA-N 1 0 276.380 2.090 20 10 CECDRO CCOc1cccc(C[N@H+](C)CCOCCCOC)c1O ZINC000272366772 373449635 /nfs/dbraw/zinc/44/96/35/373449635.db2.gz ONWLMKSBTOBSGT-UHFFFAOYSA-N 1 0 297.395 2.276 20 10 CECDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000272653083 373601423 /nfs/dbraw/zinc/60/14/23/373601423.db2.gz QDKXUGQSFOVANK-GHMZBOCLSA-N 1 0 253.317 2.436 20 10 CECDRO Cc1ccc(O)c(C[N@H+](C)CCc2cnccn2)c1 ZINC000273750193 373770937 /nfs/dbraw/zinc/77/09/37/373770937.db2.gz NMGBEBABPQGEPX-UHFFFAOYSA-N 1 0 257.337 2.165 20 10 CECDRO C[C@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCO[C@@H]1C1CC1 ZINC000273133949 373745854 /nfs/dbraw/zinc/74/58/54/373745854.db2.gz NCZGNVASYIBBNV-CVEARBPZSA-N 1 0 291.347 2.168 20 10 CECDRO CCn1cnnc1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273395078 373755397 /nfs/dbraw/zinc/75/53/97/373755397.db2.gz LUNSUSWIZUVSBZ-GFCCVEGCSA-N 1 0 274.368 2.471 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000273554511 373764832 /nfs/dbraw/zinc/76/48/32/373764832.db2.gz GQSONMICQHKBRR-NTZNESFSSA-N 1 0 293.363 2.254 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)OC)c1 ZINC000273568728 373764976 /nfs/dbraw/zinc/76/49/76/373764976.db2.gz KEWCEYQTUXEMRH-WDEREUQCSA-N 1 0 253.342 2.476 20 10 CECDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000273610455 373768961 /nfs/dbraw/zinc/76/89/61/373768961.db2.gz VRMBGPUWSRLMCM-UONOGXRCSA-N 1 0 278.396 2.072 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)c(O)c1 ZINC000282187387 375423878 /nfs/dbraw/zinc/42/38/78/375423878.db2.gz GAUHKKWQJCDNPA-ADLMAVQZSA-N 1 0 267.394 2.262 20 10 CECDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000283068942 375648798 /nfs/dbraw/zinc/64/87/98/375648798.db2.gz JXUCXVCVBKRJCT-QWHCGFSZSA-N 1 0 278.396 2.430 20 10 CECDRO COC[C@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)OC ZINC000285115164 375836066 /nfs/dbraw/zinc/83/60/66/375836066.db2.gz KVYFNQKFLXAZEB-STQMWFEESA-N 1 0 267.369 2.321 20 10 CECDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000285556854 375839798 /nfs/dbraw/zinc/83/97/98/375839798.db2.gz REKRXFKRERLNLW-WFASDCNBSA-N 1 0 261.365 2.384 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(=O)[nH]n1 ZINC000286250984 375886496 /nfs/dbraw/zinc/88/64/96/375886496.db2.gz UJPWIQDUCREOCB-GFCCVEGCSA-N 1 0 298.390 2.003 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000287166531 376164530 /nfs/dbraw/zinc/16/45/30/376164530.db2.gz UHBWVHZTIOZGKJ-QWHCGFSZSA-N 1 0 297.420 2.176 20 10 CECDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000289203852 376388936 /nfs/dbraw/zinc/38/89/36/376388936.db2.gz BOAWTQJZWVJNOU-AWEZNQCLSA-N 1 0 294.370 2.412 20 10 CECDRO CC[N@@H+]1CCN(Cc2cc(F)ccc2O)[C@@H](C)C1 ZINC000289186234 376389761 /nfs/dbraw/zinc/38/97/61/376389761.db2.gz AOGHHHPUTGLORB-NSHDSACASA-N 1 0 252.333 2.057 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCOC2(C)C)c1O ZINC000294741632 378017259 /nfs/dbraw/zinc/01/72/59/378017259.db2.gz HFDYQMGMDILXQL-GFCCVEGCSA-N 1 0 251.326 2.058 20 10 CECDRO COC[C@H](O)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000294650395 378002563 /nfs/dbraw/zinc/00/25/63/378002563.db2.gz GSYYZPOKPBDWCJ-CHWSQXEVSA-N 1 0 267.369 2.057 20 10 CECDRO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000295181774 378046651 /nfs/dbraw/zinc/04/66/51/378046651.db2.gz VVLRQUAMYFEKKC-HNNXBMFYSA-N 1 0 291.395 2.025 20 10 CECDRO CC(=O)c1cc(F)cc(CN(C2CC2)C2COC2)c1O ZINC000295394131 378137058 /nfs/dbraw/zinc/13/70/58/378137058.db2.gz LLZVQLPCZDAUGW-UHFFFAOYSA-N 1 0 279.311 2.097 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@]2(C)OCC)c1O ZINC000527783330 379812170 /nfs/dbraw/zinc/81/21/70/379812170.db2.gz IVVGGNKAVRRXKG-HIFRSBDPSA-N 1 0 265.353 2.448 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)c1 ZINC000529670595 380183617 /nfs/dbraw/zinc/18/36/17/380183617.db2.gz VBUYXWPFPWKAIN-CABCVRRESA-N 1 0 265.353 2.446 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1O ZINC000219886671 262351051 /nfs/dbraw/zinc/35/10/51/262351051.db2.gz SMISRQXKBQMJBK-JQWIXIFHSA-N 1 0 251.326 2.058 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c1O ZINC000217680157 394455288 /nfs/dbraw/zinc/45/52/88/394455288.db2.gz APYQPDQAFWCJKL-KBPBESRZSA-N 1 0 276.380 2.117 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCSC2)c1 ZINC000226381178 394470315 /nfs/dbraw/zinc/47/03/15/394470315.db2.gz PTBOTJBJMXVLCJ-SNVBAGLBSA-N 1 0 253.367 2.244 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCOC2)c1 ZINC000109543446 394734296 /nfs/dbraw/zinc/73/42/96/394734296.db2.gz SHKJFJVIAQSZNN-MNOVXSKESA-N 1 0 251.326 2.230 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@]1(O)CCSC1 ZINC000267049093 394672668 /nfs/dbraw/zinc/67/26/68/394672668.db2.gz NLQZUJXAXWYUPL-GFCCVEGCSA-N 1 0 273.785 2.003 20 10 CECDRO O=C1OCCC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC000360674912 394805825 /nfs/dbraw/zinc/80/58/25/394805825.db2.gz UYSQRFJLQJDIQA-UHFFFAOYSA-N 1 0 279.311 2.060 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)c1O ZINC000124709273 394840172 /nfs/dbraw/zinc/84/01/72/394840172.db2.gz IYDYLPIRXCNAFK-LSDHHAIUSA-N 1 0 260.381 2.417 20 10 CECDRO Oc1ccc(Cl)cc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000364446874 394904116 /nfs/dbraw/zinc/90/41/16/394904116.db2.gz KCBHMJHYHWLGJW-LBPRGKRZSA-N 1 0 253.729 2.002 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCOC2)cc1F ZINC000132076923 394923785 /nfs/dbraw/zinc/92/37/85/394923785.db2.gz QTUCFWUYSJYWGF-LBPRGKRZSA-N 1 0 252.333 2.112 20 10 CECDRO CCCCOCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000134224954 394956455 /nfs/dbraw/zinc/95/64/55/394956455.db2.gz QYEVMDSNHYUTMX-UHFFFAOYSA-N 1 0 281.352 2.417 20 10 CECDRO CCCOc1ccc(C[N@H+](C)CCOC)c(O)c1 ZINC000133464175 394952631 /nfs/dbraw/zinc/95/26/31/394952631.db2.gz QZUGEJFHASEUGN-UHFFFAOYSA-N 1 0 253.342 2.259 20 10 CECDRO Oc1ccccc1C[NH2+]CCn1cc(Br)cn1 ZINC000285627934 394960891 /nfs/dbraw/zinc/96/08/91/394960891.db2.gz YNTIWTRXLFFETJ-UHFFFAOYSA-N 1 0 296.168 2.141 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@]2(CCOC2)O1 ZINC000373498537 395061799 /nfs/dbraw/zinc/06/17/99/395061799.db2.gz ZLLCVKPGRLYJJS-NHYWBVRUSA-N 1 0 297.782 2.425 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000168800037 395089124 /nfs/dbraw/zinc/08/91/24/395089124.db2.gz HBFOFZVAXVUPNA-SDDRHHMPSA-N 1 0 265.353 2.476 20 10 CECDRO C[C@H]1C[C@H](NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000174514727 395124898 /nfs/dbraw/zinc/12/48/98/395124898.db2.gz WBWVGKFYQJODSP-GXTWGEPZSA-N 1 0 279.403 2.464 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1O ZINC000376040525 395108172 /nfs/dbraw/zinc/10/81/72/395108172.db2.gz ATKVGCRRTGBRIH-OAHLLOKOSA-N 1 0 297.782 2.401 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)CCC[NH2+]C)cc1 ZINC000178711427 395172350 /nfs/dbraw/zinc/17/23/50/395172350.db2.gz NJOVIBDROWOFMY-UHFFFAOYSA-N 1 0 277.412 2.149 20 10 CECDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H]1O ZINC000293698150 395247625 /nfs/dbraw/zinc/24/76/25/395247625.db2.gz CMOGHEJFSZYMMF-HOCLYGCPSA-N 1 0 262.397 2.264 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@]2(O)CCCC2(C)C)c1 ZINC000293696882 395247875 /nfs/dbraw/zinc/24/78/75/395247875.db2.gz REAJYKFENPSUEE-INIZCTEOSA-N 1 0 279.380 2.432 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000179443875 395193865 /nfs/dbraw/zinc/19/38/65/395193865.db2.gz PVFCWCDHFHUHCZ-LLVKDONJSA-N 1 0 281.352 2.020 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000188468505 395316203 /nfs/dbraw/zinc/31/62/03/395316203.db2.gz QZSUNYCROYJZSP-NEPJUHHUSA-N 1 0 264.369 2.218 20 10 CECDRO COc1ccc(O)c(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000183471368 395258024 /nfs/dbraw/zinc/25/80/24/395258024.db2.gz NJFWGAIIURCHBE-UHFFFAOYSA-N 1 0 299.374 2.118 20 10 CECDRO C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccccc1O ZINC000183522719 395259177 /nfs/dbraw/zinc/25/91/77/395259177.db2.gz PFXKCNJYRUBJLJ-UONOGXRCSA-N 1 0 278.396 2.011 20 10 CECDRO CC(C)[N@H+](CC(=O)N1CCC1)Cc1ccc(N(C)C)cc1 ZINC000298742171 395363934 /nfs/dbraw/zinc/36/39/34/395363934.db2.gz XMWASERYOCIPKM-UHFFFAOYSA-N 1 0 289.423 2.195 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]23CCOC3=O)cc1C ZINC000190036975 395335548 /nfs/dbraw/zinc/33/55/48/395335548.db2.gz WGZNNDQRGOFRQU-INIZCTEOSA-N 1 0 275.348 2.291 20 10 CECDRO Cc1nnc(CC[NH2+][C@@H]2CCc3cccc(O)c32)s1 ZINC000297470139 395341810 /nfs/dbraw/zinc/34/18/10/395341810.db2.gz YMYZLFXNSRLVMI-LLVKDONJSA-N 1 0 275.377 2.372 20 10 CECDRO COCCOCCC[NH2+][C@H](C)c1ccccc1O ZINC000020192036 171058565 /nfs/dbraw/zinc/05/85/65/171058565.db2.gz ZNXFLOOXPWFFCT-GFCCVEGCSA-N 1 0 253.342 2.096 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1O ZINC000020206680 171071680 /nfs/dbraw/zinc/07/16/80/171071680.db2.gz BNZNDJYMDCJRCN-CMPLNLGQSA-N 1 0 251.326 2.058 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000153050085 261072603 /nfs/dbraw/zinc/07/26/03/261072603.db2.gz PFFSGGUUADISCA-YOEHRIQHSA-N 1 0 290.407 2.353 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCOCCOC)cc1 ZINC000153997659 261086287 /nfs/dbraw/zinc/08/62/87/261086287.db2.gz IFMOBMDMRDOYFX-AWEZNQCLSA-N 1 0 280.412 2.456 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)Cn1cncn1)c1ccccc1O ZINC000155434848 261102238 /nfs/dbraw/zinc/10/22/38/261102238.db2.gz FDHDLQSIZWWIDL-AAEUAGOBSA-N 1 0 260.341 2.113 20 10 CECDRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(N(C)C)cc1 ZINC000158175100 261160078 /nfs/dbraw/zinc/16/00/78/261160078.db2.gz NCFRNPSSJVVGBQ-WFASDCNBSA-N 1 0 280.437 2.271 20 10 CECDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000160382493 261212513 /nfs/dbraw/zinc/21/25/13/261212513.db2.gz RUUITOTZUWMONO-SWLSCSKDSA-N 1 0 299.422 2.318 20 10 CECDRO Cc1cccc(C[NH+]2CCC(C3OCCO3)CC2)c1O ZINC000180011237 261831569 /nfs/dbraw/zinc/83/15/69/261831569.db2.gz FCOAHMURRWDTOQ-UHFFFAOYSA-N 1 0 277.364 2.286 20 10 CECDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186029779 262076425 /nfs/dbraw/zinc/07/64/25/262076425.db2.gz ZMOCEMRNESHUQO-NEPJUHHUSA-N 1 0 285.409 2.174 20 10 CECDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000272543282 263006391 /nfs/dbraw/zinc/00/63/91/263006391.db2.gz PPNXEPSESJJJMF-DGCLKSJQSA-N 1 0 266.360 2.094 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000135201684 264559229 /nfs/dbraw/zinc/55/92/29/264559229.db2.gz RUEGBRCWRXPLAD-GOEBONIOSA-N 1 0 290.407 2.038 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000367668369 267106861 /nfs/dbraw/zinc/10/68/61/267106861.db2.gz HMWYWGOUOLXXLY-WCQYABFASA-N 1 0 262.353 2.054 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367699284 267111449 /nfs/dbraw/zinc/11/14/49/267111449.db2.gz HMFADFIMMOOZPG-DGCLKSJQSA-N 1 0 262.353 2.041 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1O ZINC000367808176 267119332 /nfs/dbraw/zinc/11/93/32/267119332.db2.gz ZJOWOTIFAJADHR-ITGUQSILSA-N 1 0 267.756 2.024 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000368043498 267141103 /nfs/dbraw/zinc/14/11/03/267141103.db2.gz QBBRMMIKTAWDKT-NEPJUHHUSA-N 1 0 277.364 2.430 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cc(F)ccc1O ZINC000368328706 267163298 /nfs/dbraw/zinc/16/32/98/267163298.db2.gz AFKYMBMTESSQJD-JCRCQARHSA-N 1 0 292.354 2.191 20 10 CECDRO Cc1cnn(C2C[NH+](Cc3cccc(C)c3O)C2)c1 ZINC000376833829 268022253 /nfs/dbraw/zinc/02/22/53/268022253.db2.gz UCJDOOYWIJLLNS-UHFFFAOYSA-N 1 0 257.337 2.262 20 10 CECDRO CC(C)(C)S(=O)(=O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296833111 275526100 /nfs/dbraw/zinc/52/61/00/275526100.db2.gz MPFMPRSRYPGWAX-GFCCVEGCSA-N 1 0 297.420 2.182 20 10 CECDRO CCN1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296095311 276187636 /nfs/dbraw/zinc/18/76/36/276187636.db2.gz UBHLPRDTZSMVCI-UONOGXRCSA-N 1 0 260.381 2.453 20 10 CECDRO C[N@@H+]1CC[C@H]2CCN(Cc3cccc(F)c3O)C[C@@H]21 ZINC000378488715 277177821 /nfs/dbraw/zinc/17/78/21/277177821.db2.gz BIFCYWKXWBFESD-FZMZJTMJSA-N 1 0 264.344 2.057 20 10 CECDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000285470137 278470579 /nfs/dbraw/zinc/47/05/79/278470579.db2.gz KMOWRLJADIOCAK-XJKSGUPXSA-N 1 0 292.448 2.364 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCOC1 ZINC000266189856 279491429 /nfs/dbraw/zinc/49/14/29/279491429.db2.gz YDSFSJJJVOPHJC-WCQYABFASA-N 1 0 266.360 2.406 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)N(C)C ZINC000036793870 279491606 /nfs/dbraw/zinc/49/16/06/279491606.db2.gz RKVNWRYVFIQSEZ-AWEZNQCLSA-N 1 0 289.423 2.243 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1O ZINC000135657316 295299416 /nfs/dbraw/zinc/29/94/16/295299416.db2.gz OEKYFMNLKWEPEL-CHWSQXEVSA-N 1 0 265.353 2.184 20 10 CECDRO COc1cccc(C[NH2+]CC[C@H]2CCCOC2)c1O ZINC000527739355 297743164 /nfs/dbraw/zinc/74/31/64/297743164.db2.gz MOMUAZCKVLYZDR-GFCCVEGCSA-N 1 0 265.353 2.307 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@]1(O)CCSC1 ZINC000271807303 328197404 /nfs/dbraw/zinc/19/74/04/328197404.db2.gz KCABLXANDNRKNP-GFCCVEGCSA-N 1 0 273.785 2.003 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)CCO)c1 ZINC000295106743 327606021 /nfs/dbraw/zinc/60/60/21/327606021.db2.gz LBHJMICZHBFLJH-NWDGAFQWSA-N 1 0 267.369 2.460 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccccc1O ZINC000377409037 329014589 /nfs/dbraw/zinc/01/45/89/329014589.db2.gz HIJMHBPETGSBGM-GHMZBOCLSA-N 1 0 257.337 2.323 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000377622675 329021306 /nfs/dbraw/zinc/02/13/06/329021306.db2.gz IJDHETJJZDLGGF-CZUORRHYSA-N 1 0 274.364 2.055 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@H](CO)C2)cc1OC ZINC000378440133 329050303 /nfs/dbraw/zinc/05/03/03/329050303.db2.gz ZNDFEBFEWNVXGQ-GFCCVEGCSA-N 1 0 295.379 2.004 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000180707058 329222216 /nfs/dbraw/zinc/22/22/16/329222216.db2.gz UDUFRDGOFBHYJV-LSDHHAIUSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1cccc(C[NH+]2CCC(Cn3cncn3)CC2)c1O ZINC000189969533 329390696 /nfs/dbraw/zinc/39/06/96/329390696.db2.gz OUIFKHQBRGHFKT-UHFFFAOYSA-N 1 0 286.379 2.204 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1O ZINC000167858003 331308503 /nfs/dbraw/zinc/30/85/03/331308503.db2.gz GBQVITFSKDDJOC-MWLCHTKSSA-N 1 0 297.782 2.451 20 10 CECDRO C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3[O-])CC[C@H]21 ZINC000228005056 333292239 /nfs/dbraw/zinc/29/22/39/333292239.db2.gz FGUROKCVMWRJSY-SWLSCSKDSA-N 1 0 278.371 2.447 20 10 CECDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1O ZINC000275019772 521358254 /nfs/dbraw/zinc/35/82/54/521358254.db2.gz ZUXKWVZICGEBHY-LLVKDONJSA-N 1 0 264.369 2.175 20 10 CECDRO CCC[NH+]1CCC(CNC(=O)Cc2ccc(N)cc2)CC1 ZINC000236770466 519842101 /nfs/dbraw/zinc/84/21/01/519842101.db2.gz GBXDRLFTDQJEFO-UHFFFAOYSA-N 1 0 289.423 2.050 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000188484137 520214076 /nfs/dbraw/zinc/21/40/76/520214076.db2.gz GGOYIHRRKPOPEL-NEPJUHHUSA-N 1 0 264.369 2.218 20 10 CECDRO CCCOc1ccc(C[NH2+]CCC(C)(C)O)c(O)c1 ZINC000274772374 520366676 /nfs/dbraw/zinc/36/66/76/520366676.db2.gz SDVMADGJMMTSHP-UHFFFAOYSA-N 1 0 267.369 2.432 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC[C@H](O)COC)cc1 ZINC000153717975 520905633 /nfs/dbraw/zinc/90/56/33/520905633.db2.gz BMPAASJETNVFEQ-INIZCTEOSA-N 1 0 280.412 2.020 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000071300476 520906338 /nfs/dbraw/zinc/90/63/38/520906338.db2.gz QEEFMXSHGLFURR-MRXNPFEDSA-N 1 0 262.397 2.393 20 10 CECDRO CCC[C@@](C)([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801180 520916317 /nfs/dbraw/zinc/91/63/17/520916317.db2.gz RRPWEOBVHONCQZ-MRXNPFEDSA-N 1 0 277.412 2.229 20 10 CECDRO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cc(C)ccc1O ZINC000189038809 520949272 /nfs/dbraw/zinc/94/92/72/520949272.db2.gz KRHHINGUTSQDOQ-INIZCTEOSA-N 1 0 276.380 2.191 20 10 CECDRO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@H](C)CO ZINC000292723675 521288275 /nfs/dbraw/zinc/28/82/75/521288275.db2.gz FPUULRVCQTVSJY-SECBINFHSA-N 1 0 273.760 2.257 20 10 CECDRO CCOc1cccc(C[NH2+]CC2([S@](C)=O)CCC2)c1O ZINC000280616967 521361554 /nfs/dbraw/zinc/36/15/54/521361554.db2.gz KOXLYKZAGCQQSJ-FQEVSTJZSA-N 1 0 297.420 2.182 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)Cn2cccn2)c1O ZINC000037155470 521374495 /nfs/dbraw/zinc/37/44/95/521374495.db2.gz LBTXUTDYONWZAA-GFCCVEGCSA-N 1 0 275.352 2.166 20 10 CECDRO CN(C)c1ccc(CN2CCCC[C@@H]2C(=[NH2+])NO)cc1 ZINC000365151915 522176682 /nfs/dbraw/zinc/17/66/82/522176682.db2.gz UQXQGFCZQZMBLW-CQSZACIVSA-N 1 0 276.384 2.063 20 10 CECDRO CN(C)c1ccc(CN2CCC[C@@H]([NH+](C)C)C2)cc1F ZINC000130142518 522178357 /nfs/dbraw/zinc/17/83/57/522178357.db2.gz ITTHGDRWVQMISZ-CQSZACIVSA-N 1 0 279.403 2.418 20 10 CECDRO CC[C@H]([NH2+]CCCNC(C)=O)c1ccc(C)cc1O ZINC000280079072 522584353 /nfs/dbraw/zinc/58/43/53/522584353.db2.gz LPSFSRZLUVGSPB-AWEZNQCLSA-N 1 0 264.369 2.268 20 10 CECDRO CC[C@H]([NH2+]CCN(C)CCOC)c1ccccc1O ZINC000061375155 522590615 /nfs/dbraw/zinc/59/06/15/522590615.db2.gz BFWMAMWBURYEPS-AWEZNQCLSA-N 1 0 266.385 2.011 20 10 CECDRO CC[C@@H]([NH2+]C1CN(C(=O)OC)C1)c1ccc(C)cc1O ZINC000280083167 522812002 /nfs/dbraw/zinc/81/20/02/522812002.db2.gz LWIZDPLVAHIVQY-CYBMUJFWSA-N 1 0 278.352 2.192 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1ccccc1O ZINC000274896962 522921079 /nfs/dbraw/zinc/92/10/79/522921079.db2.gz KKEIOEODQYCGTR-TZMCWYRMSA-N 1 0 276.380 2.442 20 10 CECDRO COCCC1(C)C[NH+](Cc2cccc(OC)c2O)C1 ZINC000297444850 523025355 /nfs/dbraw/zinc/02/53/55/523025355.db2.gz PXAAWJZMKLDGLJ-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000087013364 523674609 /nfs/dbraw/zinc/67/46/09/523674609.db2.gz VHUVSCCVBZKAMQ-IINYFYTJSA-N 1 0 253.342 2.212 20 10 CECDRO COc1ccc(C[NH2+]CC2([S@](C)=O)CCC2)cc1C ZINC000280626425 524070023 /nfs/dbraw/zinc/07/00/23/524070023.db2.gz LOZAGSUSPPDLAE-IBGZPJMESA-N 1 0 281.421 2.394 20 10 CECDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccc1C ZINC000127745678 524132269 /nfs/dbraw/zinc/13/22/69/524132269.db2.gz ORSRPUQRRZVFJL-OAHLLOKOSA-N 1 0 297.402 2.494 20 10 CECDRO C[C@H](CCO)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000097436157 524208039 /nfs/dbraw/zinc/20/80/39/524208039.db2.gz NZZXUXNTTYJURT-CHWSQXEVSA-N 1 0 250.386 2.422 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1O ZINC000279607295 524403548 /nfs/dbraw/zinc/40/35/48/524403548.db2.gz FFYMFZSTCKQPPT-XJKSGUPXSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1cc(C[N@H+](CCO)Cc2cccnc2)ccc1N(C)C ZINC000292835292 524669753 /nfs/dbraw/zinc/66/97/53/524669753.db2.gz PDQSEZSEZNMXGL-UHFFFAOYSA-N 1 0 299.418 2.451 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c1 ZINC000291014680 524744238 /nfs/dbraw/zinc/74/42/38/524744238.db2.gz XEFMTEUUWSBPAW-AWEZNQCLSA-N 1 0 287.363 2.353 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000279776596 524754255 /nfs/dbraw/zinc/75/42/55/524754255.db2.gz KWKAULWPTHTHKZ-CYBMUJFWSA-N 1 0 265.353 2.042 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC)c1 ZINC000191655644 524766645 /nfs/dbraw/zinc/76/66/45/524766645.db2.gz DEIUVXCYWVSRCT-HBNTYKKESA-N 1 0 253.342 2.475 20 10 CECDRO C[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000292869464 524926952 /nfs/dbraw/zinc/92/69/52/524926952.db2.gz AWHOCYBOBLMSSA-KGLIPLIRSA-N 1 0 289.423 2.051 20 10 CECDRO COc1ncccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037650193 525061102 /nfs/dbraw/zinc/06/11/02/525061102.db2.gz OLVZRFIARSPPBW-UHFFFAOYSA-N 1 0 270.332 2.315 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cc(F)ccc1O ZINC000228855056 525588622 /nfs/dbraw/zinc/58/86/22/525588622.db2.gz IXGFHPQNMLKXCR-ZEGGKSINSA-N 1 0 253.317 2.341 20 10 CECDRO COc1cccc(C[NH2+]Cc2ncccc2C)c1O ZINC000071339382 526025498 /nfs/dbraw/zinc/02/54/98/526025498.db2.gz WZOAZKSJOAIDHS-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO Cc1nnsc1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000291771007 526446297 /nfs/dbraw/zinc/44/62/97/526446297.db2.gz SUQNUENXIMCTLI-UHFFFAOYSA-N 1 0 263.366 2.459 20 10 CECDRO O=C(CC[NH2+]Cc1cc(F)ccc1O)N1CCCCC1 ZINC000226585270 526511348 /nfs/dbraw/zinc/51/13/48/526511348.db2.gz ZDEGKONGIRDFSZ-UHFFFAOYSA-N 1 0 280.343 2.024 20 10 CECDRO Cn1cc(C[NH2+]Cc2c(O)cccc2Cl)cn1 ZINC000083552140 527217587 /nfs/dbraw/zinc/21/75/87/527217587.db2.gz NNULZRUCVHLXIY-UHFFFAOYSA-N 1 0 251.717 2.069 20 10 CECDRO OCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000189985615 527562773 /nfs/dbraw/zinc/56/27/73/527562773.db2.gz VYIHFUHXRYLIHP-ZFWWWQNUSA-N 1 0 261.365 2.262 20 10 CECDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)NC1CC1 ZINC000731847466 574603706 /nfs/dbraw/zinc/60/37/06/574603706.db2.gz LDWPLCYPBDMJLV-UHFFFAOYSA-N 1 0 288.391 2.415 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000731864094 574604193 /nfs/dbraw/zinc/60/41/93/574604193.db2.gz KVOWDRYHCHIXGG-INIZCTEOSA-N 1 0 289.423 2.195 20 10 CECDRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C1=CC(=O)CS1 ZINC000732284379 574618077 /nfs/dbraw/zinc/61/80/77/574618077.db2.gz ROJDBLARZWWVIB-UHFFFAOYSA-N 1 0 286.316 2.287 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCOC[C@H]1CCOC1 ZINC000733328398 574664488 /nfs/dbraw/zinc/66/44/88/574664488.db2.gz SZNNJLAGFFAVPL-NSHDSACASA-N 1 0 285.771 2.188 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1 ZINC000756433543 574812933 /nfs/dbraw/zinc/81/29/33/574812933.db2.gz PWWHHUMLOBZVFJ-XHDPSFHLSA-N 1 0 278.396 2.392 20 10 CECDRO COc1cccc(C[NH2+]Cc2cccc(F)n2)c1O ZINC000747937438 575176770 /nfs/dbraw/zinc/17/67/70/575176770.db2.gz GLCNURRCHAACBH-UHFFFAOYSA-N 1 0 262.284 2.225 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000965976667 614660187 /nfs/dbraw/zinc/66/01/87/614660187.db2.gz FBOJRKDOLIEXTE-CQSZACIVSA-N 1 0 276.380 2.104 20 10 CECDRO CC[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(C)cc1O ZINC000840878055 625371383 /nfs/dbraw/zinc/37/13/83/625371383.db2.gz AFKCULKHRTVIEX-CQSZACIVSA-N 1 0 297.420 2.319 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000179447307 625444135 /nfs/dbraw/zinc/44/41/35/625444135.db2.gz RUVANYNPRPFZBH-MRXNPFEDSA-N 1 0 293.363 2.094 20 10 CECDRO COC[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000307785867 623464263 /nfs/dbraw/zinc/46/42/63/623464263.db2.gz SCBWOGWTNKARAW-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO Cn1nc2c(c1C[N@H+](C)Cc1ccccc1O)CCC2 ZINC000891714130 623921346 /nfs/dbraw/zinc/92/13/46/623921346.db2.gz SRCXSIQLEWVITB-UHFFFAOYSA-N 1 0 271.364 2.246 20 10 CECDRO CCOCC[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000127448108 624379509 /nfs/dbraw/zinc/37/95/09/624379509.db2.gz MHXCNBOLVALZKO-UHFFFAOYSA-N 1 0 298.814 2.200 20 10 CECDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000168829867 625048280 /nfs/dbraw/zinc/04/82/80/625048280.db2.gz AJWOOUTWBJPOIL-GHMZBOCLSA-N 1 0 272.348 2.460 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1C ZINC000280182287 625253983 /nfs/dbraw/zinc/25/39/83/625253983.db2.gz GWFBQVPRFULZNB-NXEZZACHSA-N 1 0 283.755 2.287 20 10 CECDRO O=C(C[NH2+]Cc1cc(-c2ccccc2)ccc1O)NC1CC1 ZINC000725845108 625732488 /nfs/dbraw/zinc/73/24/88/625732488.db2.gz LHKCWTAMDMLPCE-UHFFFAOYSA-N 1 0 296.370 2.427 20 10 CECDRO COc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1O ZINC000725846364 625763173 /nfs/dbraw/zinc/76/31/73/625763173.db2.gz AMKWFQHKWKTECU-UHFFFAOYSA-N 1 0 290.407 2.365 20 10 CECDRO COCC[C@H](COC)[NH2+]Cc1cc(Cl)ccc1O ZINC000310802392 627295178 /nfs/dbraw/zinc/29/51/78/627295178.db2.gz GZUNLFJDJGVYNH-GFCCVEGCSA-N 1 0 273.760 2.187 20 10 CECDRO COc1cccc(C[NH2+]CCC2CCOCC2)c1O ZINC000311367023 627648549 /nfs/dbraw/zinc/64/85/49/627648549.db2.gz SEFNYGZBSVZFSA-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO OC[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000311445015 627666637 /nfs/dbraw/zinc/66/66/37/627666637.db2.gz XFDNWUIMSMKMHJ-HIFRSBDPSA-N 1 0 261.365 2.262 20 10 CECDRO CC(C)(C)OCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000308731282 627939586 /nfs/dbraw/zinc/93/95/86/627939586.db2.gz JNNDROQXCDZQNU-UHFFFAOYSA-N 1 0 292.423 2.428 20 10 CECDRO CC(=O)N[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000228356725 628165864 /nfs/dbraw/zinc/16/58/64/628165864.db2.gz QNOVSXVZGFDKBT-AWEZNQCLSA-N 1 0 284.359 2.256 20 10 CECDRO COc1ccc(C[NH2+]Cc2cncc(C)c2)c(O)c1OC ZINC000893249367 628183200 /nfs/dbraw/zinc/18/32/00/628183200.db2.gz QCXJUYSYBIZGFH-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO COc1ccc(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)c(O)c1OC ZINC000893260179 628199265 /nfs/dbraw/zinc/19/92/65/628199265.db2.gz LKXBGCHJLKRYRD-QWRGUYRKSA-N 1 0 295.379 2.455 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2OC)c(O)c1OC ZINC000893285325 628244079 /nfs/dbraw/zinc/24/40/79/628244079.db2.gz NATCHUWBJIPYSX-WCQYABFASA-N 1 0 295.379 2.314 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000190116836 628325600 /nfs/dbraw/zinc/32/56/00/628325600.db2.gz NHDGRZPRURWWBG-HNNXBMFYSA-N 1 0 289.423 2.149 20 10 CECDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(F)ccc1O ZINC000310981736 628342385 /nfs/dbraw/zinc/34/23/85/628342385.db2.gz RDOYJVOZTCVHEH-LKFCYVNXSA-N 1 0 253.317 2.343 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c(Cl)c1 ZINC000840909435 628373213 /nfs/dbraw/zinc/37/32/13/628373213.db2.gz RWINTVWJOFEOOQ-XHDPSFHLSA-N 1 0 298.814 2.163 20 10 CECDRO C[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1cc(F)ccc1O ZINC000902449413 634672085 /nfs/dbraw/zinc/67/20/85/634672085.db2.gz OCKSYPBVVWOCHX-TVQRCGJNSA-N 1 0 252.333 2.180 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCCN1C ZINC000840934321 628750967 /nfs/dbraw/zinc/75/09/67/628750967.db2.gz ZZNRJGJKEARNTI-MRXNPFEDSA-N 1 0 261.413 2.245 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H](C)[S@](C)=O ZINC000840938002 628756286 /nfs/dbraw/zinc/75/62/86/628756286.db2.gz YULWNZPNGRFNLW-DJJJIMSYSA-N 1 0 282.453 2.308 20 10 CECDRO COc1ccc(N(C)CC[C@@H]2CC[NH2+]C2)cc1F ZINC000259128446 628793062 /nfs/dbraw/zinc/79/30/62/628793062.db2.gz WISSIYRNAGCQAM-NSHDSACASA-N 1 0 252.333 2.270 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840950802 628848780 /nfs/dbraw/zinc/84/87/80/628848780.db2.gz ODCIXEABQKFUHF-XHDPSFHLSA-N 1 0 299.798 2.495 20 10 CECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccccc2O)C1 ZINC000840976929 628984934 /nfs/dbraw/zinc/98/49/34/628984934.db2.gz ZGBDEMFHRTUSBW-OAHLLOKOSA-N 1 0 263.337 2.167 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CCO)C2)c1O ZINC000894004706 629083137 /nfs/dbraw/zinc/08/31/37/629083137.db2.gz XKKRCSDTQGWNFL-ZDUSSCGKSA-N 1 0 279.380 2.304 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000178712596 629133543 /nfs/dbraw/zinc/13/35/43/629133543.db2.gz XBQVTEOUUJJKHL-OAHLLOKOSA-N 1 0 289.423 2.291 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000237085754 629187267 /nfs/dbraw/zinc/18/72/67/629187267.db2.gz YZKHKRDUJMJSBX-UHFFFAOYSA-N 1 0 297.402 2.450 20 10 CECDRO CC[C@H](O)CCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894288366 629308620 /nfs/dbraw/zinc/30/86/20/629308620.db2.gz STYNDANSSIPAPC-ZDUSSCGKSA-N 1 0 267.369 2.350 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2cc(C)ncn2)c1O ZINC000894366036 629396957 /nfs/dbraw/zinc/39/69/57/629396957.db2.gz KFDNAHKOYXYPEJ-UHFFFAOYSA-N 1 0 273.336 2.097 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCOC(C)C)c1O ZINC000894461099 629476138 /nfs/dbraw/zinc/47/61/38/629476138.db2.gz MBBHSEOCIANFNR-UHFFFAOYSA-N 1 0 253.342 2.224 20 10 CECDRO COc1ccc(C[NH2+]C[C@](C)(OC)C2CC2)c(O)c1OC ZINC000894563092 629533522 /nfs/dbraw/zinc/53/35/22/629533522.db2.gz AWQIDYKHBAERRN-INIZCTEOSA-N 1 0 295.379 2.314 20 10 CECDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000902636934 634757176 /nfs/dbraw/zinc/75/71/76/634757176.db2.gz HIRYNRSRONMCKT-GOEBONIOSA-N 1 0 261.365 2.490 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c(O)c1OC ZINC000894909238 629749919 /nfs/dbraw/zinc/74/99/19/629749919.db2.gz COLFSYFEVYAPOW-GVXVVHGQSA-N 1 0 295.379 2.313 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c(O)c1OC ZINC000894941073 629765530 /nfs/dbraw/zinc/76/55/30/629765530.db2.gz YQQWYHKTMDFPPF-WCQYABFASA-N 1 0 295.379 2.002 20 10 CECDRO Cc1cc(O)c(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)cc1C ZINC000895117746 629917753 /nfs/dbraw/zinc/91/77/53/629917753.db2.gz WAYHFRCQWAUNNZ-RWMBFGLXSA-N 1 0 276.380 2.106 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H](CC)C(=O)OC)c1O ZINC000895120082 629922268 /nfs/dbraw/zinc/92/22/68/629922268.db2.gz LIPKFSKOIDWNTF-NSHDSACASA-N 1 0 281.352 2.080 20 10 CECDRO CC[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C)C(=O)OC ZINC000895127663 629931819 /nfs/dbraw/zinc/93/18/19/629931819.db2.gz MXMJRKKQTLZCRZ-CYBMUJFWSA-N 1 0 278.396 2.350 20 10 CECDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1CCCOC1 ZINC000895150391 629966435 /nfs/dbraw/zinc/96/64/35/629966435.db2.gz ABTNWNPHAXKPEQ-CYBMUJFWSA-N 1 0 295.379 2.410 20 10 CECDRO C[C@H]([NH2+]CCC(=O)N1CCCC1)c1ccccc1O ZINC000020127212 629998836 /nfs/dbraw/zinc/99/88/36/629998836.db2.gz DOCBVYKKYKLXAI-LBPRGKRZSA-N 1 0 262.353 2.055 20 10 CECDRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841882092 630037322 /nfs/dbraw/zinc/03/73/22/630037322.db2.gz WFYUYNYUMASYFS-DOMZBBRYSA-N 1 0 292.427 2.096 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCC2(O)CCOCC2)c(O)c1 ZINC000797031874 630110462 /nfs/dbraw/zinc/11/04/62/630110462.db2.gz LBVDMVZJBDLASS-CYBMUJFWSA-N 1 0 279.380 2.283 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c(O)c1 ZINC000797070861 630124047 /nfs/dbraw/zinc/12/40/47/630124047.db2.gz NFVGBHOYDRCUAN-RYUDHWBXSA-N 1 0 297.420 2.317 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2ccc[nH]c2=O)c1O ZINC000895412495 630173532 /nfs/dbraw/zinc/17/35/32/630173532.db2.gz XPAYEOUNZGKCSB-UHFFFAOYSA-N 1 0 274.320 2.100 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000895445707 630194553 /nfs/dbraw/zinc/19/45/53/630194553.db2.gz VVFGARGLGGIPIC-PRHODGIISA-N 1 0 293.285 2.111 20 10 CECDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000895459736 630201757 /nfs/dbraw/zinc/20/17/57/630201757.db2.gz HNBOMDFUJUJMDN-WOPDTQHZSA-N 1 0 263.337 2.385 20 10 CECDRO COc1ccc(C[NH2+]CC[C@H]2CCCOC2)c(O)c1OC ZINC000895560602 630250581 /nfs/dbraw/zinc/25/05/81/630250581.db2.gz LZSHEIBWLVICRN-GFCCVEGCSA-N 1 0 295.379 2.316 20 10 CECDRO Cc1cccc(C[NH+]2CCC3(CC2)COCCO3)c1O ZINC000895696621 630309188 /nfs/dbraw/zinc/30/91/88/630309188.db2.gz XSOAHNCATDDAAN-UHFFFAOYSA-N 1 0 277.364 2.082 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c(O)c1OC ZINC000895745918 630322690 /nfs/dbraw/zinc/32/26/90/630322690.db2.gz UFCFVNRNMOXHAI-JFGNBEQYSA-N 1 0 281.352 2.065 20 10 CECDRO COc1ccc(C[NH+]2CC(C)(C)C2)c(O)c1OC ZINC000895825466 630363344 /nfs/dbraw/zinc/36/33/44/630363344.db2.gz IGDSRKPNTZBJTD-UHFFFAOYSA-N 1 0 251.326 2.251 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895835584 630371896 /nfs/dbraw/zinc/37/18/96/630371896.db2.gz FAASUHHGVHUJCO-ZDUSSCGKSA-N 1 0 289.297 2.447 20 10 CECDRO Cc1cccc(C[N@@H+]2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)c1O ZINC000895919264 630402775 /nfs/dbraw/zinc/40/27/75/630402775.db2.gz DZTKFHKSXWQRBO-YNEHKIRRSA-N 1 0 276.380 2.140 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCO[C@H](C)CC2)c(O)c1 ZINC000896586218 630605197 /nfs/dbraw/zinc/60/51/97/630605197.db2.gz XULWFHBIZYRZHJ-GFCCVEGCSA-N 1 0 265.353 2.402 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2COC[C@H]2C)cc1Cl ZINC000896732571 630651865 /nfs/dbraw/zinc/65/18/65/630651865.db2.gz IMRUGQXHSQUVCA-SKDRFNHKSA-N 1 0 255.745 2.479 20 10 CECDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3O)C[C@@H]2O1 ZINC000897050111 630910061 /nfs/dbraw/zinc/91/00/61/630910061.db2.gz OMFWPWGXBGNFAJ-DEZZGGKRSA-N 1 0 281.327 2.303 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)cc1 ZINC000840827273 631137427 /nfs/dbraw/zinc/13/74/27/631137427.db2.gz GMTTUONEVDIXRV-HIFRSBDPSA-N 1 0 289.423 2.320 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(Cl)cc1O ZINC000841755103 631775528 /nfs/dbraw/zinc/77/55/28/631775528.db2.gz NLZMGRSKSJWNDZ-BXKDBHETSA-N 1 0 282.771 2.317 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000840120082 631876384 /nfs/dbraw/zinc/87/63/84/631876384.db2.gz VIQOIVPLLRRNNW-AWEZNQCLSA-N 1 0 271.307 2.211 20 10 CECDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccccc3O)[C@H]2C1 ZINC000808445183 631964185 /nfs/dbraw/zinc/96/41/85/631964185.db2.gz AIIWYUARLCKPMM-HRCADAONSA-N 1 0 288.391 2.129 20 10 CECDRO OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]Cc1ccccc1O ZINC000897950736 631988514 /nfs/dbraw/zinc/98/85/14/631988514.db2.gz QMNYLXRORCJECF-CXAGYDPISA-N 1 0 285.343 2.224 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]Cc1cnn2ccccc12 ZINC000809700763 632130367 /nfs/dbraw/zinc/13/03/67/632130367.db2.gz NRJZPDRULKVTIZ-UHFFFAOYSA-N 1 0 271.295 2.469 20 10 CECDRO Cc1cc(O)c(C[NH2+]Cc2cnc3n2CCOC3)cc1C ZINC000898270810 632140153 /nfs/dbraw/zinc/14/01/53/632140153.db2.gz NTUYVIFGRIDOAP-UHFFFAOYSA-N 1 0 287.363 2.026 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](CO)COC(C)C)cc1C ZINC000809768334 632143883 /nfs/dbraw/zinc/14/38/83/632143883.db2.gz IFTPHYDDRXCFQP-HNNXBMFYSA-N 1 0 281.396 2.227 20 10 CECDRO CC[C@@](C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)OC ZINC000322552187 632220182 /nfs/dbraw/zinc/22/01/82/632220182.db2.gz VPNHIPXEHOOGOL-KRWDZBQOSA-N 1 0 292.423 2.428 20 10 CECDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1cc(Cl)ccc1O ZINC000841064756 632386837 /nfs/dbraw/zinc/38/68/37/632386837.db2.gz IVYRCFYVBMTEAH-CABZTGNLSA-N 1 0 254.761 2.276 20 10 CECDRO COc1cc(O)c(C[NH2+]CCCCF)cc1OC ZINC000812773139 632575486 /nfs/dbraw/zinc/57/54/86/632575486.db2.gz YFGAVGDXVCGVHE-UHFFFAOYSA-N 1 0 257.305 2.249 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000899173301 632728139 /nfs/dbraw/zinc/72/81/39/632728139.db2.gz LZQVVFMFQZTKPN-ZDUSSCGKSA-N 1 0 274.364 2.107 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2snnc2C)c(O)c1 ZINC000813790677 632735542 /nfs/dbraw/zinc/73/55/42/632735542.db2.gz YFJPIPFFIPGEFV-UHFFFAOYSA-N 1 0 279.365 2.241 20 10 CECDRO C[C@H]([NH2+]C1COCCOC1)c1cc(Cl)ccc1O ZINC000813878585 632751289 /nfs/dbraw/zinc/75/12/89/632751289.db2.gz CFVOIKCTVOKSJW-VIFPVBQESA-N 1 0 271.744 2.112 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2COCCOC2)cc1 ZINC000813879627 632751378 /nfs/dbraw/zinc/75/13/78/632751378.db2.gz OIQMSSAKSNBFBP-CYBMUJFWSA-N 1 0 278.396 2.209 20 10 CECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1c(O)cccc1OC ZINC000814301478 632821391 /nfs/dbraw/zinc/82/13/91/632821391.db2.gz UPMKYSKACLZTRR-GFCCVEGCSA-N 1 0 294.395 2.043 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000815160151 632974535 /nfs/dbraw/zinc/97/45/35/632974535.db2.gz REFUBIURYZWWTE-ABAIWWIYSA-N 1 0 265.353 2.042 20 10 CECDRO CS(=O)(=O)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816548110 633410431 /nfs/dbraw/zinc/41/04/31/633410431.db2.gz VARXDSQWYHJTOS-UHFFFAOYSA-N 1 0 293.388 2.070 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1 ZINC000816639077 633455447 /nfs/dbraw/zinc/45/54/47/633455447.db2.gz HDSZODYFDSIFDW-SNVBAGLBSA-N 1 0 274.320 2.352 20 10 CECDRO NC(=O)C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000816652795 633457704 /nfs/dbraw/zinc/45/77/04/633457704.db2.gz UPLQFLDMKYVNLB-CQSZACIVSA-N 1 0 288.322 2.238 20 10 CECDRO C[NH+](C)CCc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000816912300 633486183 /nfs/dbraw/zinc/48/61/83/633486183.db2.gz RPZNVDASXADTCJ-UHFFFAOYSA-N 1 0 298.386 2.426 20 10 CECDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000817412872 633651740 /nfs/dbraw/zinc/65/17/40/633651740.db2.gz PYLOVZPLEBUADB-GHMZBOCLSA-N 1 0 269.772 2.496 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CC2(CC(N)=O)CC2)c2c1c(F)ccc2O ZINC000817586555 633702645 /nfs/dbraw/zinc/70/26/45/633702645.db2.gz PMGZWQBQGBACMG-ONGXEEELSA-N 1 0 292.354 2.325 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnccc1N ZINC000817896524 633758182 /nfs/dbraw/zinc/75/81/82/633758182.db2.gz JESNOMIGMDFOMI-GFCCVEGCSA-N 1 0 270.380 2.411 20 10 CECDRO CC[C@@H]([NH2+]CCN)c1ccc(C(F)(F)F)cc1O ZINC000817934671 633786529 /nfs/dbraw/zinc/78/65/29/633786529.db2.gz AKUFHYVWDLXZSM-SNVBAGLBSA-N 1 0 262.275 2.410 20 10 CECDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817945275 633791919 /nfs/dbraw/zinc/79/19/19/633791919.db2.gz YSIHXDKKYWHDAB-RKDXNWHRSA-N 1 0 274.286 2.424 20 10 CECDRO C[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccccc1O ZINC000817950155 633794924 /nfs/dbraw/zinc/79/49/24/633794924.db2.gz WZBQURVVKGYMGI-CYBMUJFWSA-N 1 0 298.390 2.370 20 10 CECDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(N)cc2)[C@@H]1C ZINC000817956786 633800175 /nfs/dbraw/zinc/80/01/75/633800175.db2.gz CXTNHIRFQWPODR-IVMMDQJWSA-N 1 0 290.407 2.379 20 10 CECDRO COCCNCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000817964385 633805762 /nfs/dbraw/zinc/80/57/62/633805762.db2.gz AKVPLYHUCHPARG-CYBMUJFWSA-N 1 0 292.423 2.158 20 10 CECDRO COC[C@@]1(CN[C@H](C)c2ccc(C)cc2O)CCC[NH2+]1 ZINC000817974197 633817670 /nfs/dbraw/zinc/81/76/70/633817670.db2.gz JIBZNEXUEWTQQY-CJNGLKHVSA-N 1 0 278.396 2.120 20 10 CECDRO C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000817973454 633817716 /nfs/dbraw/zinc/81/77/16/633817716.db2.gz UCMPBEUIHOOPHI-NKWVEPMBSA-N 1 0 291.164 2.292 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)cc(F)c1[O-] ZINC000817976582 633820357 /nfs/dbraw/zinc/82/03/57/633820357.db2.gz OGDVTOLMXNWHRQ-TVQRCGJNSA-N 1 0 282.334 2.463 20 10 CECDRO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000817978414 633821422 /nfs/dbraw/zinc/82/14/22/633821422.db2.gz ANDODRPTPCNCFF-RISCZKNCSA-N 1 0 283.366 2.400 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(Cl)c1[O-] ZINC000817977729 633821523 /nfs/dbraw/zinc/82/15/23/633821523.db2.gz NTGHMKRVJGYGJE-DNIRFERGSA-N 1 0 266.772 2.304 20 10 CECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc[nH]n3)C2)cc1 ZINC000818222349 633888538 /nfs/dbraw/zinc/88/85/38/633888538.db2.gz XQUHVDJHLGPIKU-ZDUSSCGKSA-N 1 0 286.379 2.034 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CC1(O)CCC1 ZINC000819377731 634162352 /nfs/dbraw/zinc/16/23/52/634162352.db2.gz UELDRMSFBXFWSC-AWEZNQCLSA-N 1 0 276.424 2.497 20 10 CECDRO COc1cccc(O)c1C[NH+]1CC(CC(F)F)C1 ZINC000822520834 634936420 /nfs/dbraw/zinc/93/64/20/634936420.db2.gz PWZNLTWZTZZHDX-UHFFFAOYSA-N 1 0 257.280 2.488 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccccc1O ZINC000822812847 635001389 /nfs/dbraw/zinc/00/13/89/635001389.db2.gz OHEPJQQDASXVIW-DGCLKSJQSA-N 1 0 276.380 2.442 20 10 CECDRO CC[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000903342481 635069522 /nfs/dbraw/zinc/06/95/22/635069522.db2.gz FIDMTBLLZQQGCL-HUUCEWRRSA-N 1 0 292.423 2.462 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC[C@@H](O)C2CC2)c1O ZINC000903410187 635104341 /nfs/dbraw/zinc/10/43/41/635104341.db2.gz DPFKPQNIAVOLFT-GXFFZTMASA-N 1 0 265.353 2.212 20 10 CECDRO CN(C)c1ccc(CN(C)C[C@@H]([NH3+])CC(F)F)cc1 ZINC000903873868 635320992 /nfs/dbraw/zinc/32/09/92/635320992.db2.gz MWFKRSFGRDIDBV-LBPRGKRZSA-N 1 0 271.355 2.167 20 10 CECDRO COc1ccc(N(C)C[C@H]([NH3+])CC(F)F)cc1OC ZINC000903906175 635340244 /nfs/dbraw/zinc/34/02/44/635340244.db2.gz UAOCDNNOJREXGT-SECBINFHSA-N 1 0 274.311 2.123 20 10 CECDRO CN(C)c1ccc(CN2C[C@H]([NH3+])C(C)(C)C2)cc1F ZINC000903984704 635404105 /nfs/dbraw/zinc/40/41/05/635404105.db2.gz TWJXXXANAYEZBG-AWEZNQCLSA-N 1 0 265.376 2.061 20 10 CECDRO COc1cccc(C[N@H+](C(C)C)C2COC2)c1O ZINC000824471819 635433952 /nfs/dbraw/zinc/43/39/52/635433952.db2.gz HRKPXBVDIVDTOM-UHFFFAOYSA-N 1 0 251.326 2.010 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824576085 635455451 /nfs/dbraw/zinc/45/54/51/635455451.db2.gz ZVEUOCPUKIHGIB-JTQLQIEISA-N 1 0 283.755 2.349 20 10 CECDRO COc1c(O)c(C[N@@H+]2CC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000824650683 635469868 /nfs/dbraw/zinc/46/98/68/635469868.db2.gz OWNJUDKOLDMEHA-LLVKDONJSA-N 1 0 278.308 2.293 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000825046957 635548402 /nfs/dbraw/zinc/54/84/02/635548402.db2.gz ZTHLCRWRIXSZMF-LBPRGKRZSA-N 1 0 289.379 2.245 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)C(F)(F)F)cc1Cl ZINC000825130957 635576011 /nfs/dbraw/zinc/57/60/11/635576011.db2.gz HNNDTXGYMDRNQK-SNVBAGLBSA-N 1 0 283.677 2.367 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCN1CCCC1(C)C ZINC000825327810 635617175 /nfs/dbraw/zinc/61/71/75/635617175.db2.gz VITHDJQLZCGCBF-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CCOC[C@H]2C)cc1Cl ZINC000825425997 635636511 /nfs/dbraw/zinc/63/65/11/635636511.db2.gz SGOHJAPRTUGSAF-GFCCVEGCSA-N 1 0 298.814 2.164 20 10 CECDRO COCCOCC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000825944115 635737248 /nfs/dbraw/zinc/73/72/48/635737248.db2.gz QIEAOYRCQPOHLW-UHFFFAOYSA-N 1 0 287.787 2.449 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)[C@H](C)[NH3+])cc1 ZINC000826020703 635747588 /nfs/dbraw/zinc/74/75/88/635747588.db2.gz WYQXXMWUWIGVKB-KGLIPLIRSA-N 1 0 291.439 2.475 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000826511314 635775851 /nfs/dbraw/zinc/77/58/51/635775851.db2.gz KLXBOWWMYDROBD-UHFFFAOYSA-N 1 0 299.309 2.001 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CC1CN(C)C1 ZINC000827124944 636224850 /nfs/dbraw/zinc/22/48/50/636224850.db2.gz GJGXPBHZDPIMJB-UHFFFAOYSA-N 1 0 261.413 2.054 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c1O ZINC000827134022 636230587 /nfs/dbraw/zinc/23/05/87/636230587.db2.gz ZRPPCKDBSYRAAW-HIFRSBDPSA-N 1 0 288.391 2.055 20 10 CECDRO [O-]c1c(F)cccc1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000827242812 636265816 /nfs/dbraw/zinc/26/58/16/636265816.db2.gz CTQHENQTSWDEGA-YPMHNXCESA-N 1 0 287.281 2.435 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)cc1OC ZINC000827251918 636269723 /nfs/dbraw/zinc/26/97/23/636269723.db2.gz QYWKKUVMUUTVKU-YPMHNXCESA-N 1 0 295.379 2.457 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000827366622 636305848 /nfs/dbraw/zinc/30/58/48/636305848.db2.gz XWONNYHTNPAVLA-CVEARBPZSA-N 1 0 274.408 2.454 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000827366630 636306165 /nfs/dbraw/zinc/30/61/65/636306165.db2.gz XWONNYHTNPAVLA-HZPDHXFCSA-N 1 0 274.408 2.454 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1F ZINC000827595204 636362117 /nfs/dbraw/zinc/36/21/17/636362117.db2.gz MNYKOBYUYFKGCP-UONOGXRCSA-N 1 0 278.371 2.360 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC3(COC3)C2)c1O ZINC000827644690 636373490 /nfs/dbraw/zinc/37/34/90/636373490.db2.gz QLEJKOXMJYBNJE-UHFFFAOYSA-N 1 0 263.337 2.013 20 10 CECDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000827812595 636431553 /nfs/dbraw/zinc/43/15/53/636431553.db2.gz REHXVFQJPZHTDI-JOCQHMNTSA-N 1 0 263.337 2.045 20 10 CECDRO Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H](O)C2)c1O ZINC000827826592 636435618 /nfs/dbraw/zinc/43/56/18/636435618.db2.gz JCGRAQKNBQDOBY-XYPYZODXSA-N 1 0 286.169 2.076 20 10 CECDRO Cc1cccc(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)c1O ZINC000827839393 636439878 /nfs/dbraw/zinc/43/98/78/636439878.db2.gz RXLXPNHVGUCUBC-UHFFFAOYSA-N 1 0 296.370 2.358 20 10 CECDRO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1O ZINC000827955660 636469357 /nfs/dbraw/zinc/46/93/57/636469357.db2.gz BZDLHKVPIPOLKF-CYBMUJFWSA-N 1 0 288.391 2.445 20 10 CECDRO C[C@@H](CC(=O)NCc1ccccc1O)C1CC[NH2+]CC1 ZINC000828016059 636487909 /nfs/dbraw/zinc/48/79/09/636487909.db2.gz SMQUHALBHFPXQS-LBPRGKRZSA-N 1 0 276.380 2.034 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)cc1 ZINC000829251489 636811942 /nfs/dbraw/zinc/81/19/42/636811942.db2.gz ZAUPYWXMUDZQPP-MRXNPFEDSA-N 1 0 292.448 2.461 20 10 CECDRO COC(=O)C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876529089 650306293 /nfs/dbraw/zinc/30/62/93/650306293.db2.gz AFDUTGAOYLMOLN-UHFFFAOYSA-N 1 0 263.337 2.086 20 10 CECDRO C[C@@H](NC(=O)C1([NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000832431576 637575210 /nfs/dbraw/zinc/57/52/10/637575210.db2.gz RCVJJSHJUKOSIP-GFCCVEGCSA-N 1 0 275.396 2.024 20 10 CECDRO COc1cc(Cl)cc(CN[C@@H]2CCCC[NH2+]C2)c1O ZINC000841089412 637710210 /nfs/dbraw/zinc/71/02/10/637710210.db2.gz HBYWYOXMCQYTQZ-GFCCVEGCSA-N 1 0 284.787 2.286 20 10 CECDRO C[N@H+](Cc1cc2c(cn1)OCCO2)Cc1ccccc1O ZINC000876615574 650360766 /nfs/dbraw/zinc/36/07/66/650360766.db2.gz IFXDXVSPXWDTDR-UHFFFAOYSA-N 1 0 286.331 2.190 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000876623744 650364731 /nfs/dbraw/zinc/36/47/31/650364731.db2.gz SJLGRHSNVFDPJC-UHFFFAOYSA-N 1 0 290.407 2.391 20 10 CECDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCc2ccc(F)cc21 ZINC000876630795 650367510 /nfs/dbraw/zinc/36/75/10/650367510.db2.gz KVKMCRITAUCKAR-RYBZSIHZSA-N 1 0 274.339 2.271 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834667882 637912329 /nfs/dbraw/zinc/91/23/29/637912329.db2.gz CPLIKRGHCCOIDC-WCQYABFASA-N 1 0 265.353 2.021 20 10 CECDRO OC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000834803014 637956051 /nfs/dbraw/zinc/95/60/51/637956051.db2.gz IGBHMXAPDDNEBC-LSDHHAIUSA-N 1 0 284.359 2.140 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccc(C)cc1O ZINC000834892554 637980028 /nfs/dbraw/zinc/98/00/28/637980028.db2.gz WAILKCSOHDAEPZ-TZMCWYRMSA-N 1 0 276.380 2.362 20 10 CECDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000834900101 637981183 /nfs/dbraw/zinc/98/11/83/637981183.db2.gz MDYKYEVSJSDNQG-IUCAKERBSA-N 1 0 270.760 2.221 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)c2c1c(F)ccc2O ZINC000834904633 637982678 /nfs/dbraw/zinc/98/26/78/637982678.db2.gz ANMUZPOEPFPZJQ-SDNRWEOFSA-N 1 0 251.301 2.193 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1 ZINC000834907267 637983514 /nfs/dbraw/zinc/98/35/14/637983514.db2.gz MPAGOWKLYYXREG-SDDRHHMPSA-N 1 0 262.353 2.005 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cc(F)ccc1O ZINC000834911807 637986196 /nfs/dbraw/zinc/98/61/96/637986196.db2.gz BDONDGDUFBKQSI-SUHUHFCYSA-N 1 0 292.354 2.335 20 10 CECDRO CC(C)NC(=O)CN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835025070 638028944 /nfs/dbraw/zinc/02/89/44/638028944.db2.gz GFHKRJXZIXKGBR-VOTSOKGWSA-N 1 0 289.423 2.222 20 10 CECDRO C[C@H]1COCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835024725 638029458 /nfs/dbraw/zinc/02/94/58/638029458.db2.gz BTYYSCKGGKRRBE-WSNITJDQSA-N 1 0 260.381 2.487 20 10 CECDRO COC[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835025133 638029712 /nfs/dbraw/zinc/02/97/12/638029712.db2.gz FZEZSSYXYAWTBE-CHYADLBTSA-N 1 0 290.407 2.113 20 10 CECDRO C[C@@H](O)CC[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835030751 638031669 /nfs/dbraw/zinc/03/16/69/638031669.db2.gz YSYUPFIPLVKYKR-VBROQKIQSA-N 1 0 262.397 2.469 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCOC2)cc1 ZINC000835036074 638032763 /nfs/dbraw/zinc/03/27/63/638032763.db2.gz NAHMWWUVPZHEAB-ABCZVMIZSA-N 1 0 260.381 2.392 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@]2(O)CCSC2)cc1 ZINC000835043162 638034679 /nfs/dbraw/zinc/03/46/79/638034679.db2.gz NOJIRHKHAYZJPM-QGZUEGPWSA-N 1 0 292.448 2.223 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(O)CCC2)cc1 ZINC000835040883 638035301 /nfs/dbraw/zinc/03/53/01/638035301.db2.gz VKQVZUIKGUKNDR-HYXAFXHYSA-N 1 0 260.381 2.270 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@]2(O)CCSC2)cc1 ZINC000835043158 638035494 /nfs/dbraw/zinc/03/54/94/638035494.db2.gz NOJIRHKHAYZJPM-MJSXRHKHSA-N 1 0 292.448 2.223 20 10 CECDRO C[C@H](O)[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835045292 638036659 /nfs/dbraw/zinc/03/66/59/638036659.db2.gz UFIRHUZRJAUDFT-YMEQAZQUSA-N 1 0 274.408 2.469 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@H+](C)CC2(CO)CC2)cc1 ZINC000835045689 638036705 /nfs/dbraw/zinc/03/67/05/638036705.db2.gz OBQYNCBIBXKTQG-SNAWJCMRSA-N 1 0 274.408 2.470 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCCc2cnn(C)n2)cc1 ZINC000835052695 638041280 /nfs/dbraw/zinc/04/12/80/638041280.db2.gz IWDVIOBTRDEBAB-GQCTYLIASA-N 1 0 299.422 2.117 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1 ZINC000835059821 638043810 /nfs/dbraw/zinc/04/38/10/638043810.db2.gz DQRZEWJGPKASHI-VGOKWCNXSA-N 1 0 287.407 2.024 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000876694841 650403623 /nfs/dbraw/zinc/40/36/23/650403623.db2.gz WFNNIPYPCGLLQQ-CYBMUJFWSA-N 1 0 272.352 2.129 20 10 CECDRO COC(=O)CC[N@H+](Cc1ccc(C)cc1O)C(C)C ZINC000876733080 650413004 /nfs/dbraw/zinc/41/30/04/650413004.db2.gz NNTQYHMNPTVMJV-UHFFFAOYSA-N 1 0 265.353 2.474 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(C)C=CCC2)cc1 ZINC000911668533 638343349 /nfs/dbraw/zinc/34/33/49/638343349.db2.gz ZBDVWMUYTNLYLZ-RDJZCZTQSA-N 1 0 287.407 2.225 20 10 CECDRO C[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000836405862 638624425 /nfs/dbraw/zinc/62/44/25/638624425.db2.gz MWEXLOADJKMDGH-QWHCGFSZSA-N 1 0 292.427 2.063 20 10 CECDRO Cc1ccc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c(O)c1 ZINC000876796664 650436765 /nfs/dbraw/zinc/43/67/65/650436765.db2.gz HPORZRNHJOESFF-CQSZACIVSA-N 1 0 285.391 2.499 20 10 CECDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCNc2ccccc21 ZINC000876851784 650458988 /nfs/dbraw/zinc/45/89/88/650458988.db2.gz NZTVOTFADRPGOR-SBDDDAINSA-N 1 0 271.364 2.001 20 10 CECDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2cc(C)ccc2O)C1 ZINC000912999967 639170412 /nfs/dbraw/zinc/17/04/12/639170412.db2.gz AXFFNRBMBMWCJB-AWEZNQCLSA-N 1 0 290.407 2.439 20 10 CECDRO O=C(NCc1ccccc1O)C1C[NH+](C2CCCCC2)C1 ZINC000837480203 639248015 /nfs/dbraw/zinc/24/80/15/639248015.db2.gz GQSCXYGAQVCNLN-UHFFFAOYSA-N 1 0 288.391 2.273 20 10 CECDRO Cc1ccc(C[NH2+]C2CCN(C3CC3)CC2)c(O)c1 ZINC000876909571 650482484 /nfs/dbraw/zinc/48/24/84/650482484.db2.gz BRPFLCBYIMIGGH-UHFFFAOYSA-N 1 0 260.381 2.417 20 10 CECDRO Cc1cc(C)c(O)c(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000163904751 639336916 /nfs/dbraw/zinc/33/69/16/639336916.db2.gz KWLUWNQKLIWIFC-UHFFFAOYSA-N 1 0 277.364 2.348 20 10 CECDRO C[C@H](CNC(=O)Nc1ccc(N)cc1)[NH+]1CCCCC1 ZINC000045011768 639378536 /nfs/dbraw/zinc/37/85/36/639378536.db2.gz MAYUXCOEGWTCGZ-GFCCVEGCSA-N 1 0 276.384 2.265 20 10 CECDRO CCN(CC)C(=O)CCC[NH2+]Cc1c(C)cccc1O ZINC000876932216 650491667 /nfs/dbraw/zinc/49/16/67/650491667.db2.gz HHOLTLUWGYZCED-UHFFFAOYSA-N 1 0 278.396 2.439 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000840883096 639571155 /nfs/dbraw/zinc/57/11/55/639571155.db2.gz DJUUJQBOTIYHIZ-JTQLQIEISA-N 1 0 283.677 2.367 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCS(=O)(=O)C2CC2)c(O)c1 ZINC000840885782 639572379 /nfs/dbraw/zinc/57/23/79/639572379.db2.gz YULASPVZNGCYGM-GFCCVEGCSA-N 1 0 297.420 2.237 20 10 CECDRO COCC[NH+](CCOC)Cc1c(O)cc(C)cc1Cl ZINC000840908575 639581358 /nfs/dbraw/zinc/58/13/58/639581358.db2.gz UAKOKFZGDNAXIR-UHFFFAOYSA-N 1 0 287.787 2.449 20 10 CECDRO CC[N@H+](CCC(=O)OC)Cc1ccc(N(C)C)cc1C ZINC000840911746 639582853 /nfs/dbraw/zinc/58/28/53/639582853.db2.gz OPXNDFZTUKTBJP-UHFFFAOYSA-N 1 0 278.396 2.446 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(O)C2)c(Cl)c1 ZINC000840918780 639585948 /nfs/dbraw/zinc/58/59/48/639585948.db2.gz JRMQBENLUQGLPL-CYBMUJFWSA-N 1 0 255.745 2.311 20 10 CECDRO CCCNC(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840930477 639590558 /nfs/dbraw/zinc/59/05/58/639590558.db2.gz XAFDGSKDAOMTQH-UHFFFAOYSA-N 1 0 277.412 2.067 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000840935061 639590974 /nfs/dbraw/zinc/59/09/74/639590974.db2.gz CZAJNFVUYURDHR-HNNXBMFYSA-N 1 0 284.407 2.431 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000840936158 639591491 /nfs/dbraw/zinc/59/14/91/639591491.db2.gz FPXAOTRLTVIQAR-ZFWWWQNUSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000840938371 639592666 /nfs/dbraw/zinc/59/26/66/639592666.db2.gz OEYSCSSRGMKKGF-OAHLLOKOSA-N 1 0 284.407 2.362 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCn2ccnn2)c(Cl)c1 ZINC000840939330 639594098 /nfs/dbraw/zinc/59/40/98/639594098.db2.gz LLWZZQYTZDHDGB-UHFFFAOYSA-N 1 0 280.759 2.125 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CS[C@@H](C)C2)cc1OC ZINC000840958825 639601411 /nfs/dbraw/zinc/60/14/11/639601411.db2.gz OLZJOGMFWYKJHO-GXSJLCMTSA-N 1 0 283.393 2.393 20 10 CECDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000840959065 639601575 /nfs/dbraw/zinc/60/15/75/639601575.db2.gz XRVIVLJLQWISCG-HNNXBMFYSA-N 1 0 298.386 2.456 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H](C)C2(OC)CCC2)cc1OC ZINC000840969485 639605192 /nfs/dbraw/zinc/60/51/92/639605192.db2.gz FSYASEKYJJPKMI-LLVKDONJSA-N 1 0 295.379 2.457 20 10 CECDRO O[C@@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCCC1(F)F ZINC000840972092 639606402 /nfs/dbraw/zinc/60/64/02/639606402.db2.gz YIMVBVBPGCYWRY-GXTWGEPZSA-N 1 0 283.318 2.260 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)cc1OC ZINC000840979895 639609125 /nfs/dbraw/zinc/60/91/25/639609125.db2.gz VKSDWLJPABONDV-RYUDHWBXSA-N 1 0 295.379 2.002 20 10 CECDRO CN(C)c1ccc(CNC[C@H]2CCCC[NH2+]2)cc1F ZINC000841032601 639624236 /nfs/dbraw/zinc/62/42/36/639624236.db2.gz HMAZPRHVRXPTCW-CYBMUJFWSA-N 1 0 265.376 2.123 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC[C@@H]1CCCC[NH2+]1 ZINC000841034267 639626270 /nfs/dbraw/zinc/62/62/70/639626270.db2.gz WTPAMLGMABDECI-HNNXBMFYSA-N 1 0 261.413 2.293 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H](N)c1ccccc1 ZINC000841034323 639626774 /nfs/dbraw/zinc/62/67/74/639626774.db2.gz CKBJMSVZMKVFFG-CQSZACIVSA-N 1 0 272.348 2.190 20 10 CECDRO [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000841055736 639634677 /nfs/dbraw/zinc/63/46/77/639634677.db2.gz VJBOLBNDSODDHK-QWRGUYRKSA-N 1 0 299.758 2.313 20 10 CECDRO C[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841078369 639647244 /nfs/dbraw/zinc/64/72/44/639647244.db2.gz BSCKTNZYWBFEES-MRVPVSSYSA-N 1 0 287.747 2.171 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C[C@@H](C)O)c1O ZINC000228677788 639652820 /nfs/dbraw/zinc/65/28/20/639652820.db2.gz KFOFEGHTMZISMZ-DTWKUNHWSA-N 1 0 273.760 2.303 20 10 CECDRO CN(C)c1ccc(CN[C@H]2CCCC[NH2+]C2)cc1F ZINC000841091172 639653864 /nfs/dbraw/zinc/65/38/64/639653864.db2.gz UVYZDMQUMUQTKW-ZDUSSCGKSA-N 1 0 265.376 2.123 20 10 CECDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000228929764 639665915 /nfs/dbraw/zinc/66/59/15/639665915.db2.gz ILNVPJBTZVLAEC-CHWSQXEVSA-N 1 0 277.412 2.316 20 10 CECDRO C[NH2+]C[C@@H]1CCCN1Cc1cc(Cl)cc(OC)c1O ZINC000229104798 639676603 /nfs/dbraw/zinc/67/66/03/639676603.db2.gz PRRKVWWNHXXOPJ-LBPRGKRZSA-N 1 0 284.787 2.238 20 10 CECDRO COc1cccc(CN2C[C@@H]([NH3+])Cc3ccccc32)c1O ZINC000841106262 639683212 /nfs/dbraw/zinc/68/32/12/639683212.db2.gz IOPQJVDKYWGOHY-AWEZNQCLSA-N 1 0 284.359 2.291 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000876991109 650522765 /nfs/dbraw/zinc/52/27/65/650522765.db2.gz HJTNPPLRZKIRGE-LLVKDONJSA-N 1 0 288.313 2.427 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2CO)c1O ZINC000230935027 639804594 /nfs/dbraw/zinc/80/45/94/639804594.db2.gz DVUVYYHTPKLIHA-BXKDBHETSA-N 1 0 285.771 2.305 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCc2ccnn2C)c1O ZINC000231036754 639823521 /nfs/dbraw/zinc/82/35/21/639823521.db2.gz ATTCMAKCPKMWIU-UHFFFAOYSA-N 1 0 295.770 2.120 20 10 CECDRO CCOc1cccc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c1O ZINC000063191252 639838130 /nfs/dbraw/zinc/83/81/30/639838130.db2.gz SUUMTMRUSUTGDK-TZMCWYRMSA-N 1 0 278.396 2.493 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)NC(C)(C)C[NH3+])cc1 ZINC000841719300 639849036 /nfs/dbraw/zinc/84/90/36/639849036.db2.gz IIWLYNFZPYLGBJ-UHFFFAOYSA-N 1 0 292.427 2.069 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)NCC[C@H](C)[NH3+])cc1 ZINC000841720317 639849346 /nfs/dbraw/zinc/84/93/46/639849346.db2.gz UZBWFRCQBDLANM-ZDUSSCGKSA-N 1 0 292.427 2.069 20 10 CECDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841744685 639855412 /nfs/dbraw/zinc/85/54/12/639855412.db2.gz JYIJYAFKKYIYNF-RYUDHWBXSA-N 1 0 298.814 2.417 20 10 CECDRO C[C@H]([NH2+]C1COCCOC1)c1ccc(Cl)cc1O ZINC000841758041 639860351 /nfs/dbraw/zinc/86/03/51/639860351.db2.gz RGUPPYRCBIAMDW-VIFPVBQESA-N 1 0 271.744 2.112 20 10 CECDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000841764825 639861195 /nfs/dbraw/zinc/86/11/95/639861195.db2.gz RUUDZDDBEJNAOF-DGCLKSJQSA-N 1 0 298.814 2.417 20 10 CECDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)C1(O)CCOCC1 ZINC000841889606 639900176 /nfs/dbraw/zinc/90/01/76/639900176.db2.gz FULXLHIJRNOJNE-UHFFFAOYSA-N 1 0 297.370 2.189 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1O ZINC000841892190 639901440 /nfs/dbraw/zinc/90/14/40/639901440.db2.gz UJJDJLVQGPLXRC-GSJFWJNXSA-N 1 0 271.744 2.057 20 10 CECDRO CCCC[C@H](C[NH3+])NC(=O)N(C)Cc1ccccc1O ZINC000841959640 639911806 /nfs/dbraw/zinc/91/18/06/639911806.db2.gz YTXKVCXYHKYGLE-CYBMUJFWSA-N 1 0 279.384 2.051 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000842007361 639917931 /nfs/dbraw/zinc/91/79/31/639917931.db2.gz SSRNJIGWSGMWAO-OLZOCXBDSA-N 1 0 292.427 2.020 20 10 CECDRO Cc1ccc(C[NH2+]CCN(C)CC(F)(F)F)c(O)c1 ZINC000877026833 650537149 /nfs/dbraw/zinc/53/71/49/650537149.db2.gz GFMUFYZWHOMLTK-UHFFFAOYSA-N 1 0 276.302 2.284 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCOc1cccnc1 ZINC000877038252 650542167 /nfs/dbraw/zinc/54/21/67/650542167.db2.gz KRJAEPNHCKWYLV-UHFFFAOYSA-N 1 0 258.321 2.264 20 10 CECDRO Cc1cnn(CCN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000312242988 640009204 /nfs/dbraw/zinc/00/92/04/640009204.db2.gz APHBJCMAOUHCFJ-UHFFFAOYSA-N 1 0 270.380 2.103 20 10 CECDRO Cc1ccc([C@H](O)C[NH2+]Cc2c(C)cccc2O)o1 ZINC000877060306 650554617 /nfs/dbraw/zinc/55/46/17/650554617.db2.gz WTKAUKVAOKOWLS-CQSZACIVSA-N 1 0 261.321 2.425 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCc2ncn(C)n2)c1 ZINC000842904619 640216795 /nfs/dbraw/zinc/21/67/95/640216795.db2.gz UZNCVLUEUNCIKS-GFCCVEGCSA-N 1 0 274.368 2.113 20 10 CECDRO CN(C(=O)[C@]1(c2ccccc2)CC[NH2+]C1)c1ccc(N)cc1 ZINC000877076105 650561137 /nfs/dbraw/zinc/56/11/37/650561137.db2.gz MBSJUDUHWBYTEW-GOSISDBHSA-N 1 0 295.386 2.163 20 10 CECDRO C[NH2+][C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843045770 640251253 /nfs/dbraw/zinc/25/12/53/640251253.db2.gz VYBVCZNMUFHYDG-INIZCTEOSA-N 1 0 273.424 2.471 20 10 CECDRO C[NH2+][C@@H]1CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843048749 640253728 /nfs/dbraw/zinc/25/37/28/640253728.db2.gz VVIDMAYLTDIFQN-MQDFFIGUSA-N 1 0 273.424 2.450 20 10 CECDRO Cc1cc(Br)c(O)c(CN2CCC[C@@H]2C[NH3+])c1 ZINC000843054612 640257373 /nfs/dbraw/zinc/25/73/73/640257373.db2.gz WSMRHZDWYLEOCW-LLVKDONJSA-N 1 0 299.212 2.386 20 10 CECDRO C[C@@H]1[NH2+]CCN(C/C=C/c2ccc(N(C)C)cc2)[C@H]1C ZINC000843058044 640259418 /nfs/dbraw/zinc/25/94/18/640259418.db2.gz NYSZLJOCRORMNR-WHJWBVKISA-N 1 0 273.424 2.448 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cnc2cnccn12 ZINC000843057444 640259774 /nfs/dbraw/zinc/25/97/74/640259774.db2.gz DLRXWQPRAIECHT-UHFFFAOYSA-N 1 0 293.374 2.141 20 10 CECDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(OCC)cc1O ZINC000843057666 640259955 /nfs/dbraw/zinc/25/99/55/640259955.db2.gz GUPKGBXSEQNXEZ-CQSZACIVSA-N 1 0 278.396 2.365 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1CC[NH2+][C@H](C)[C@H]1C ZINC000843057237 640260192 /nfs/dbraw/zinc/26/01/92/640260192.db2.gz HEHMSXPZAYGVTI-ZIAGYGMSSA-N 1 0 261.413 2.243 20 10 CECDRO C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843058741 640260895 /nfs/dbraw/zinc/26/08/95/640260895.db2.gz XFIHVOZAOZEKNW-RKDXNWHRSA-N 1 0 299.758 2.123 20 10 CECDRO COc1cccc(O)c1CN(CC[NH3+])Cc1ccccc1 ZINC000843059256 640261530 /nfs/dbraw/zinc/26/15/30/640261530.db2.gz IMFGWMYDZCQVAZ-UHFFFAOYSA-N 1 0 286.375 2.362 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1 ZINC000877082393 650563848 /nfs/dbraw/zinc/56/38/48/650563848.db2.gz RIQMNYBDRSKSGK-ZDUSSCGKSA-N 1 0 276.380 2.190 20 10 CECDRO [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843112332 640285610 /nfs/dbraw/zinc/28/56/10/640285610.db2.gz HJIFGNDESSSBKE-NSHDSACASA-N 1 0 252.333 2.092 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843118688 640288235 /nfs/dbraw/zinc/28/82/35/640288235.db2.gz MMIDOQYJGSMUPD-OAHLLOKOSA-N 1 0 264.344 2.107 20 10 CECDRO Oc1c(F)cccc1CN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000843120484 640289777 /nfs/dbraw/zinc/28/97/77/640289777.db2.gz MXOVOWBQHYWQLE-HNNXBMFYSA-N 1 0 287.338 2.073 20 10 CECDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C/C=C/c1ccc(N(C)C)cc1 ZINC000843121958 640290212 /nfs/dbraw/zinc/29/02/12/640290212.db2.gz MJILURPBLZJDSC-SBXOADHZSA-N 1 0 291.414 2.398 20 10 CECDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000843122058 640290740 /nfs/dbraw/zinc/29/07/40/640290740.db2.gz OTBZKCVWRAHWOI-STQMWFEESA-N 1 0 283.366 2.024 20 10 CECDRO COc1cccc(CN2CCc3ccccc3[C@H]2C[NH3+])c1O ZINC000843128029 640294681 /nfs/dbraw/zinc/29/46/81/640294681.db2.gz GZRBMAAQYAOVNG-MRXNPFEDSA-N 1 0 298.386 2.459 20 10 CECDRO Cc1cncc(CC[NH2+][C@H](C)c2ccccc2O)n1 ZINC000844313013 640673716 /nfs/dbraw/zinc/67/37/16/640673716.db2.gz PPWUOZZRSUAUIT-GFCCVEGCSA-N 1 0 257.337 2.384 20 10 CECDRO Cc1cc(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000877175409 650611166 /nfs/dbraw/zinc/61/11/66/650611166.db2.gz JNFDBKXHJUSZEO-FZMZJTMJSA-N 1 0 298.390 2.051 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CNc3ccccc3C1)OCO2 ZINC000844904916 640860874 /nfs/dbraw/zinc/86/08/74/640860874.db2.gz FDKIEYRPPKJADB-ZDUSSCGKSA-N 1 0 298.342 2.247 20 10 CECDRO CN(C(=O)C1=CC[C@@H]([NH3+])C1)c1cccc2cc[nH]c21 ZINC000877199512 650623112 /nfs/dbraw/zinc/62/31/12/650623112.db2.gz UKOFRIIKIKBPKF-GFCCVEGCSA-N 1 0 255.321 2.178 20 10 CECDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000846017898 641152785 /nfs/dbraw/zinc/15/27/85/641152785.db2.gz RBXUQBSZSORFCQ-MFKMUULPSA-N 1 0 255.333 2.418 20 10 CECDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000846019485 641154527 /nfs/dbraw/zinc/15/45/27/641154527.db2.gz ZNSDIPRVUHBVER-WCQYABFASA-N 1 0 267.369 2.288 20 10 CECDRO CCON(C)C(=O)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000846064162 641168376 /nfs/dbraw/zinc/16/83/76/641168376.db2.gz DPIGQGLUOXJUPQ-UHFFFAOYSA-N 1 0 293.411 2.032 20 10 CECDRO CCN1C[C@H](C[NH2+]Cc2c(O)cc(C)cc2Cl)CC1=O ZINC000846090967 641177878 /nfs/dbraw/zinc/17/78/78/641177878.db2.gz GZCKVKUZXWYBIJ-NSHDSACASA-N 1 0 296.798 2.312 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846112276 641186860 /nfs/dbraw/zinc/18/68/60/641186860.db2.gz YYPWLFATAPVKAW-CQSZACIVSA-N 1 0 285.771 2.067 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C2CCN(C(C)=O)CC2)c1O ZINC000846136945 641197470 /nfs/dbraw/zinc/19/74/70/641197470.db2.gz MLBSLWAIXLYVAA-NSHDSACASA-N 1 0 292.379 2.062 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCO2)c1O ZINC000846138936 641197839 /nfs/dbraw/zinc/19/78/39/641197839.db2.gz XZDBSUMIARXOAK-WDEREUQCSA-N 1 0 251.326 2.230 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000846141265 641199126 /nfs/dbraw/zinc/19/91/26/641199126.db2.gz HEQXJJMHCBHBDA-MNOVXSKESA-N 1 0 294.395 2.355 20 10 CECDRO CC[C@@H](CCO)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846145516 641202233 /nfs/dbraw/zinc/20/22/33/641202233.db2.gz OGOXGPFQPBBZAZ-MNOVXSKESA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)c1O ZINC000846149837 641202725 /nfs/dbraw/zinc/20/27/25/641202725.db2.gz MVNAICRLBMCVGJ-CHWSQXEVSA-N 1 0 295.379 2.247 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)c1O ZINC000846165073 641209533 /nfs/dbraw/zinc/20/95/33/641209533.db2.gz KOIFMHIGLKRZOT-GMXVVIOVSA-N 1 0 265.353 2.476 20 10 CECDRO COc1cccc([C@H](C)[NH2+]Cc2cc(C)nn2C)c1O ZINC000846168117 641210619 /nfs/dbraw/zinc/21/06/19/641210619.db2.gz QZCGNPVJVSSJHW-NSHDSACASA-N 1 0 275.352 2.294 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCC[C@H](C)O)c1O ZINC000846169293 641210744 /nfs/dbraw/zinc/21/07/44/641210744.db2.gz ZSTJJDRIDMZXIC-WDEREUQCSA-N 1 0 253.342 2.212 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)c2c1c(F)ccc2O ZINC000846205113 641220205 /nfs/dbraw/zinc/22/02/05/641220205.db2.gz FAVAIJPBWWLUNQ-JQWIXIFHSA-N 1 0 292.354 2.292 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@]2(O)CCCOC2)c1 ZINC000846212484 641224131 /nfs/dbraw/zinc/22/41/31/641224131.db2.gz LRVXAEVZOJZKJJ-XJKSGUPXSA-N 1 0 279.380 2.283 20 10 CECDRO C[C@H](NC(=O)/C=C/[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000877256980 650644115 /nfs/dbraw/zinc/64/41/15/650644115.db2.gz INZKWLPXKAIMCN-TYDXBBDOSA-N 1 0 274.364 2.125 20 10 CECDRO CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1O ZINC000877257431 650645140 /nfs/dbraw/zinc/64/51/40/650645140.db2.gz PYLOIQRDNCWWEL-AAEUAGOBSA-N 1 0 264.369 2.333 20 10 CECDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccccc2O)cc1 ZINC000068989512 641489314 /nfs/dbraw/zinc/48/93/14/641489314.db2.gz BLKAKVCYTPGGFO-UHFFFAOYSA-N 1 0 288.303 2.469 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC2CCCC2)c1 ZINC000182459962 641663084 /nfs/dbraw/zinc/66/30/84/641663084.db2.gz IAYVVRQAIYLRRP-NSHDSACASA-N 1 0 292.379 2.110 20 10 CECDRO OCc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000227458916 641692980 /nfs/dbraw/zinc/69/29/80/641692980.db2.gz NQOVLQGCQOWAPE-UHFFFAOYSA-N 1 0 269.344 2.404 20 10 CECDRO C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccccc1O ZINC000183602778 641770331 /nfs/dbraw/zinc/77/03/31/641770331.db2.gz FBXJBYUWLHHKHH-LLVKDONJSA-N 1 0 285.409 2.256 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccnn2C)c(O)c1 ZINC000184011846 641827971 /nfs/dbraw/zinc/82/79/71/641827971.db2.gz YSCXWGHXWKTVSJ-GFCCVEGCSA-N 1 0 259.353 2.327 20 10 CECDRO COc1cccc(C[NH2+]Cc2ccc(CO)cc2)c1O ZINC000227463649 641855157 /nfs/dbraw/zinc/85/51/57/641855157.db2.gz CKBXYYSGJBLKAI-UHFFFAOYSA-N 1 0 273.332 2.183 20 10 CECDRO Nc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848594372 642071952 /nfs/dbraw/zinc/07/19/52/642071952.db2.gz JZRLPTXAOKWIOV-GJZGRUSLSA-N 1 0 288.395 2.407 20 10 CECDRO COc1cc(Cl)cc(CN[C@@H](C[NH3+])C(F)(F)F)c1O ZINC000848714391 642109093 /nfs/dbraw/zinc/10/90/93/642109093.db2.gz ONVDFXDSUDHSMI-VIFPVBQESA-N 1 0 298.692 2.033 20 10 CECDRO [NH3+]C[C@H](NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000848716058 642110121 /nfs/dbraw/zinc/11/01/21/642110121.db2.gz SNLHITAPLZAUTO-VIFPVBQESA-N 1 0 268.666 2.025 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@H](C(=O)OC)C2)c1O ZINC000848881815 642168290 /nfs/dbraw/zinc/16/82/90/642168290.db2.gz UXJZMKYZYHKLTP-AWEZNQCLSA-N 1 0 277.364 2.340 20 10 CECDRO CCc1cccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000848886850 642172260 /nfs/dbraw/zinc/17/22/60/642172260.db2.gz JBZVVYDENGMUBV-DZGCQCFKSA-N 1 0 260.381 2.138 20 10 CECDRO CCc1cccc(C[NH2+][C@H](CC)[C@@H](O)C(F)F)c1O ZINC000848916710 642190268 /nfs/dbraw/zinc/19/02/68/642190268.db2.gz WZPWTFZLKMPMFP-DGCLKSJQSA-N 1 0 273.323 2.449 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000848919825 642193241 /nfs/dbraw/zinc/19/32/41/642193241.db2.gz SYNYRZPPOVPURU-AWEZNQCLSA-N 1 0 290.407 2.444 20 10 CECDRO O=C(CCC[NH2+]Cc1ccc2c(c1)CCCO2)NC1CC1 ZINC000921536833 642213753 /nfs/dbraw/zinc/21/37/53/642213753.db2.gz RXLBWCDMBDVQRE-UHFFFAOYSA-N 1 0 288.391 2.160 20 10 CECDRO CN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921579997 642247756 /nfs/dbraw/zinc/24/77/56/642247756.db2.gz AVQWELBIDURYIP-OAHLLOKOSA-N 1 0 260.381 2.195 20 10 CECDRO CCNC(=O)C1(C[NH2+]Cc2c(C)cccc2O)CCC1 ZINC000877475326 650738919 /nfs/dbraw/zinc/73/89/19/650738919.db2.gz OUWZUZGNBKFCLO-UHFFFAOYSA-N 1 0 276.380 2.097 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000877485877 650744414 /nfs/dbraw/zinc/74/44/14/650744414.db2.gz BMROHJBTOVITQN-XJKSGUPXSA-N 1 0 277.364 2.080 20 10 CECDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(C)cc2O)cn1 ZINC000877485054 650744738 /nfs/dbraw/zinc/74/47/38/650744738.db2.gz WZTNDUWMENUKNR-UHFFFAOYSA-N 1 0 285.347 2.344 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c(O)c1 ZINC000877492638 650748127 /nfs/dbraw/zinc/74/81/27/650748127.db2.gz OHIRHWXXZKQGIA-QGZVFWFLSA-N 1 0 291.391 2.471 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCN(c2nccnc2C)CC1 ZINC000877501017 650753674 /nfs/dbraw/zinc/75/36/74/650753674.db2.gz LBQVKKSSFPUEEH-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000850010453 642540322 /nfs/dbraw/zinc/54/03/22/642540322.db2.gz CTOZYZAJLLBZJX-UHFFFAOYSA-N 1 0 270.380 2.185 20 10 CECDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CO1 ZINC000850068966 642565549 /nfs/dbraw/zinc/56/55/49/642565549.db2.gz JVZSQVRIPVMDSW-RDJZCZTQSA-N 1 0 290.407 2.180 20 10 CECDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1ccccc1O ZINC000850113343 642584402 /nfs/dbraw/zinc/58/44/02/642584402.db2.gz CWESOSOKHHUTNL-UHFFFAOYSA-N 1 0 257.337 2.293 20 10 CECDRO Cc1c[nH]c(C[NH2+]CCCSc2nccs2)n1 ZINC000850147001 642594363 /nfs/dbraw/zinc/59/43/63/642594363.db2.gz URHPIWSXTSUNCU-UHFFFAOYSA-N 1 0 268.411 2.447 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000877528573 650769670 /nfs/dbraw/zinc/76/96/70/650769670.db2.gz DUSURNLQBXJJRQ-ZDUSSCGKSA-N 1 0 271.364 2.424 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccn3C)C2)cc1 ZINC000850345772 642674044 /nfs/dbraw/zinc/67/40/44/642674044.db2.gz KCWPEPZJDOZNNF-CQSZACIVSA-N 1 0 285.391 2.402 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000850388094 642695276 /nfs/dbraw/zinc/69/52/76/642695276.db2.gz HIQRAKPBNUAVCY-CHWSQXEVSA-N 1 0 267.756 2.439 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)cc1F ZINC000850389459 642696660 /nfs/dbraw/zinc/69/66/60/642696660.db2.gz XLYLINCOEYVARD-GJZGRUSLSA-N 1 0 278.371 2.285 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CCOC3)C2)cc1 ZINC000850489917 642730691 /nfs/dbraw/zinc/73/06/91/642730691.db2.gz XXIITLIUHGVDBV-ZNMIVQPWSA-N 1 0 290.407 2.289 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCC(O)CC3)C2)cc1 ZINC000850489990 642730791 /nfs/dbraw/zinc/73/07/91/642730791.db2.gz ZKVVIDFRCRGCNT-NPCAHTBFSA-N 1 0 290.407 2.167 20 10 CECDRO C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)c2c1c(F)ccc2O ZINC000850577579 642756358 /nfs/dbraw/zinc/75/63/58/642756358.db2.gz ANMUZPOEPFPZJQ-KBIXCLLPSA-N 1 0 251.301 2.193 20 10 CECDRO CN(C)c1nccc(C[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921968364 642815300 /nfs/dbraw/zinc/81/53/00/642815300.db2.gz NKXFXNVKIRUYDR-UHFFFAOYSA-N 1 0 298.390 2.157 20 10 CECDRO COCC[C@@H](COC)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922136617 642901383 /nfs/dbraw/zinc/90/13/83/642901383.db2.gz FHXJQDOQRRRTJL-HNNXBMFYSA-N 1 0 279.380 2.153 20 10 CECDRO Cc1nccnc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922147418 642906021 /nfs/dbraw/zinc/90/60/21/642906021.db2.gz WDMQHOQRVXBFOD-UHFFFAOYSA-N 1 0 283.375 2.442 20 10 CECDRO C[C@@H](CCNCc1ccc2c(c1)CCCO2)[NH+](C)C ZINC000922255630 642985806 /nfs/dbraw/zinc/98/58/06/642985806.db2.gz VKRRESOBHMUEPV-ZDUSSCGKSA-N 1 0 262.397 2.441 20 10 CECDRO CCCN1C[C@H](C[NH2+]Cc2c(C)cccc2O)CC1=O ZINC000877594681 650806310 /nfs/dbraw/zinc/80/63/10/650806310.db2.gz ISEUGPDHWOEKJE-ZDUSSCGKSA-N 1 0 276.380 2.049 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]C[C@H](OC)C3CC3)C2)cc1 ZINC000877620008 650816591 /nfs/dbraw/zinc/81/65/91/650816591.db2.gz BCNUNUKRDXXRGX-YOEHRIQHSA-N 1 0 290.407 2.289 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CCC(=O)O1)c1ccc(N(C)C)cc1 ZINC000851950332 643239958 /nfs/dbraw/zinc/23/99/58/643239958.db2.gz NRAHCZRURIDFLW-FZMZJTMJSA-N 1 0 262.353 2.109 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@]1(C)CCCCO1 ZINC000922816970 643280578 /nfs/dbraw/zinc/28/05/78/643280578.db2.gz LVHIRFISPJXDQU-OAHLLOKOSA-N 1 0 265.353 2.450 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164351508 643382910 /nfs/dbraw/zinc/38/29/10/643382910.db2.gz SGELLJAQDPDOMC-LBPRGKRZSA-N 1 0 293.363 2.094 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c(O)c1 ZINC000877681031 650846140 /nfs/dbraw/zinc/84/61/40/650846140.db2.gz COSAGMUZOMSIGN-UNPMEBSKSA-N 1 0 259.349 2.214 20 10 CECDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1ccc(N)cc1 ZINC000852861323 643581134 /nfs/dbraw/zinc/58/11/34/643581134.db2.gz BOXDUJJYSNAZNB-AWEZNQCLSA-N 1 0 289.423 2.048 20 10 CECDRO CC[C@H]([NH2+]C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000852884405 643587871 /nfs/dbraw/zinc/58/78/71/643587871.db2.gz XTIYCNWMGBCSLS-INIZCTEOSA-N 1 0 291.439 2.488 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1 ZINC000877693611 650853964 /nfs/dbraw/zinc/85/39/64/650853964.db2.gz LWDPIMWNZBOJKY-NWDGAFQWSA-N 1 0 289.297 2.303 20 10 CECDRO Cc1cccc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1O ZINC000877693801 650854831 /nfs/dbraw/zinc/85/48/31/650854831.db2.gz QYMQSPBZSJYRAO-KCJUWKMLSA-N 1 0 263.259 2.102 20 10 CECDRO COc1cc(N(C)CCC[NH2+]C2CC2)cc(OC)c1OC ZINC000923314340 643652745 /nfs/dbraw/zinc/65/27/45/643652745.db2.gz UCTYCQQRBJWOAA-UHFFFAOYSA-N 1 0 294.395 2.291 20 10 CECDRO COc1ccc(N(C)CCC[NH2+]C2CC2)c(OC)c1 ZINC000923373000 643684167 /nfs/dbraw/zinc/68/41/67/643684167.db2.gz LHFJOCHCFAAZSL-UHFFFAOYSA-N 1 0 264.369 2.282 20 10 CECDRO CNC(=O)CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232746 643732454 /nfs/dbraw/zinc/73/24/54/643732454.db2.gz GXSKPDVKCWABSW-UHFFFAOYSA-N 1 0 288.347 2.124 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1C ZINC000853554618 643811414 /nfs/dbraw/zinc/81/14/14/643811414.db2.gz BPBZBEDQWRNISE-HIFRSBDPSA-N 1 0 288.391 2.110 20 10 CECDRO CC1(C)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877717677 650868083 /nfs/dbraw/zinc/86/80/83/650868083.db2.gz PBEOIMYZVJCKAI-UHFFFAOYSA-N 1 0 260.381 2.365 20 10 CECDRO C[N@@H+](Cc1c(O)ccc2ccccc21)C[C@H]1COCCO1 ZINC000853558893 643812597 /nfs/dbraw/zinc/81/25/97/643812597.db2.gz LAKOIBJDOYHTII-AWEZNQCLSA-N 1 0 287.359 2.393 20 10 CECDRO COC(=O)C1CC([NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000877721822 650869952 /nfs/dbraw/zinc/86/99/52/650869952.db2.gz COZUMBBPZLWQMZ-UHFFFAOYSA-N 1 0 299.754 2.095 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1F ZINC000877744696 650890942 /nfs/dbraw/zinc/89/09/42/650890942.db2.gz WZWJQPZWFSMHHB-GOEBONIOSA-N 1 0 291.414 2.418 20 10 CECDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112380128 644101702 /nfs/dbraw/zinc/10/17/02/644101702.db2.gz VFVSSMSWRNQPDJ-BONVTDFDSA-N 1 0 281.352 2.008 20 10 CECDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1=CC(=O)CS1)C2 ZINC000854735513 644147179 /nfs/dbraw/zinc/14/71/79/644147179.db2.gz RDCRQOBALKWYKK-CQSZACIVSA-N 1 0 280.393 2.012 20 10 CECDRO OCCC1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000839136452 644170986 /nfs/dbraw/zinc/17/09/86/644170986.db2.gz QAFQJGYTDQCFRS-UHFFFAOYSA-N 1 0 257.333 2.360 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cc1OC ZINC000839187948 644184150 /nfs/dbraw/zinc/18/41/50/644184150.db2.gz RSJBJCKAXSJJEU-YPMHNXCESA-N 1 0 293.363 2.020 20 10 CECDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cc(OC)ccc1O ZINC000753984554 644306649 /nfs/dbraw/zinc/30/66/49/644306649.db2.gz BNDFIGPDWIBAFS-LLVKDONJSA-N 1 0 294.395 2.184 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c1O ZINC000877835393 650927771 /nfs/dbraw/zinc/92/77/71/650927771.db2.gz QWEMQKXBCBVPBI-ZDUSSCGKSA-N 1 0 279.380 2.384 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Cl)ccc1O ZINC000756510457 644657266 /nfs/dbraw/zinc/65/72/66/644657266.db2.gz IJYAJHXYSVULSO-ZWNOBZJWSA-N 1 0 299.798 2.484 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCOC[C@H]2C)c(O)c1C ZINC000756534458 644660040 /nfs/dbraw/zinc/66/00/40/644660040.db2.gz KVQLKUZPKTXBFG-HIFRSBDPSA-N 1 0 292.423 2.380 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Cl)ccc1O ZINC000756533545 644660049 /nfs/dbraw/zinc/66/00/49/644660049.db2.gz IOMJWCFLJDVCFQ-MWLCHTKSSA-N 1 0 254.761 2.400 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC2)c2c1c(F)ccc2O ZINC000756638147 644676879 /nfs/dbraw/zinc/67/68/79/644676879.db2.gz RSXCFCWHAIGNDF-MWLCHTKSSA-N 1 0 265.328 2.442 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(Cl)ccc1O ZINC000756638376 644676968 /nfs/dbraw/zinc/67/69/68/644676968.db2.gz OSSZWAZKOSYZCJ-SKDRFNHKSA-N 1 0 282.771 2.317 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2)c2c1c(F)ccc2O ZINC000756768100 644690455 /nfs/dbraw/zinc/69/04/55/644690455.db2.gz JKRBQEIVVNALIN-KKZNHRDASA-N 1 0 251.301 2.458 20 10 CECDRO CC(C)[N@H+](C)CC(=O)NCCCSc1nccs1 ZINC000114376035 644694844 /nfs/dbraw/zinc/69/48/44/644694844.db2.gz CDLDTHNOXKRWKW-UHFFFAOYSA-N 1 0 287.454 2.082 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1CO ZINC000856796011 644728923 /nfs/dbraw/zinc/72/89/23/644728923.db2.gz MXALOZWQBPCNQL-UKRRQHHQSA-N 1 0 262.397 2.203 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c(O)c1 ZINC000857060665 644806020 /nfs/dbraw/zinc/80/60/20/644806020.db2.gz DIFABNXPOYCYPV-GXTWGEPZSA-N 1 0 279.380 2.241 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C2CCOCC2)c(O)c1 ZINC000757660052 644832744 /nfs/dbraw/zinc/83/27/44/644832744.db2.gz ZFYCLKMMDBKIJW-WFASDCNBSA-N 1 0 279.380 2.139 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(N)=O)cc1C ZINC000757911663 644855721 /nfs/dbraw/zinc/85/57/21/644855721.db2.gz YTZZXKQTYSNGSH-KGLIPLIRSA-N 1 0 276.380 2.137 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c(O)c1 ZINC000759294552 645008091 /nfs/dbraw/zinc/00/80/91/645008091.db2.gz QDPCYPUBABPVKS-MQMHXKEQSA-N 1 0 279.380 2.432 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)cc1 ZINC000858229115 645093631 /nfs/dbraw/zinc/09/36/31/645093631.db2.gz PEXBZSSJQNRWIJ-CJNGLKHVSA-N 1 0 260.381 2.410 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000858238079 645095361 /nfs/dbraw/zinc/09/53/61/645095361.db2.gz UBQIEHXUNIUFDP-UHFFFAOYSA-N 1 0 287.315 2.425 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H]2C[C@@H](OC)C2)c(O)c1 ZINC000858331473 645121420 /nfs/dbraw/zinc/12/14/20/645121420.db2.gz YACHQINXZMBAJB-VDISTLRHSA-N 1 0 265.353 2.306 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000858472086 645172022 /nfs/dbraw/zinc/17/20/22/645172022.db2.gz FRZNOMHHKPBIAT-ZYHUDNBSSA-N 1 0 261.321 2.305 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccc(N(C)C)cc1 ZINC000858520661 645189814 /nfs/dbraw/zinc/18/98/14/645189814.db2.gz HQHIRKFMTVRNPZ-DLBZAZTESA-N 1 0 291.439 2.124 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)cc1C ZINC000763313112 645532197 /nfs/dbraw/zinc/53/21/97/645532197.db2.gz FZBXSLLKCWCJAZ-AWEZNQCLSA-N 1 0 290.363 2.036 20 10 CECDRO CCOC[C@@H]1CN(Cc2ccc(N(C)CC)cc2)CCO1 ZINC000859771812 645598688 /nfs/dbraw/zinc/59/86/88/645598688.db2.gz LFHAGNLFJIWFEO-KRWDZBQOSA-N 1 0 292.423 2.380 20 10 CECDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000765789095 645809528 /nfs/dbraw/zinc/80/95/28/645809528.db2.gz OWVSXOMMYYTSJM-LSDHHAIUSA-N 1 0 291.439 2.124 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000766435873 645885888 /nfs/dbraw/zinc/88/58/88/645885888.db2.gz BJVONMVJVRJFTI-CVEARBPZSA-N 1 0 289.423 2.414 20 10 CECDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000768404068 646120592 /nfs/dbraw/zinc/12/05/92/646120592.db2.gz UQEMQDZRUFLRAG-LBPRGKRZSA-N 1 0 290.386 2.346 20 10 CECDRO CCC[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CC1 ZINC000768451036 646125364 /nfs/dbraw/zinc/12/53/64/646125364.db2.gz LLRITDQHUCUULT-CQSZACIVSA-N 1 0 263.337 2.192 20 10 CECDRO COc1cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c(O)cc1C ZINC000768461488 646126335 /nfs/dbraw/zinc/12/63/35/646126335.db2.gz DFKIPLPUGCKTSH-JSGCOSHPSA-N 1 0 279.380 2.445 20 10 CECDRO Oc1cc2c(cc1C[N@H+]1C[C@@H]3CCCC[C@@H]3C1)[C@H](O)CO2 ZINC000768465235 646128498 /nfs/dbraw/zinc/12/84/98/646128498.db2.gz YQQMPBBACLSBMJ-BFQNTYOBSA-N 1 0 289.375 2.440 20 10 CECDRO CC[N@H+](Cc1cnn(C)c1)Cc1c(O)cccc1OC ZINC000769045015 646196800 /nfs/dbraw/zinc/19/68/00/646196800.db2.gz YFQVUEGNXCVEPQ-UHFFFAOYSA-N 1 0 275.352 2.156 20 10 CECDRO COc1cccc(O)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000769229854 646227686 /nfs/dbraw/zinc/22/76/86/646227686.db2.gz TVVRLRZAHJLJNP-CYBMUJFWSA-N 1 0 276.380 2.071 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000769299537 646239268 /nfs/dbraw/zinc/23/92/68/646239268.db2.gz XQXNROGJMZNXFO-ZDUSSCGKSA-N 1 0 293.363 2.128 20 10 CECDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C3CC3)C2)c1 ZINC000769325846 646245196 /nfs/dbraw/zinc/24/51/96/646245196.db2.gz BSBDCIFWFFJABZ-HNNXBMFYSA-N 1 0 260.381 2.369 20 10 CECDRO O=C(CCCC[NH+]1CCCC1)NCc1ccccc1O ZINC000769365772 646251965 /nfs/dbraw/zinc/25/19/65/646251965.db2.gz SBUVRVAKLVIYHH-UHFFFAOYSA-N 1 0 276.380 2.275 20 10 CECDRO COc1cccc(O)c1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000769485397 646276012 /nfs/dbraw/zinc/27/60/12/646276012.db2.gz QMRCDDPAYMSTNH-OLZOCXBDSA-N 1 0 278.396 2.315 20 10 CECDRO OCCOC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000769537231 646284743 /nfs/dbraw/zinc/28/47/43/646284743.db2.gz JFDJWANHZWYFPJ-UHFFFAOYSA-N 1 0 285.771 2.019 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000769540397 646284843 /nfs/dbraw/zinc/28/48/43/646284843.db2.gz OGUHLPDOABIICL-UHFFFAOYSA-N 1 0 277.364 2.403 20 10 CECDRO CN(C)c1cc(F)c(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1F ZINC000862375083 646424889 /nfs/dbraw/zinc/42/48/89/646424889.db2.gz WTUYTEKADLLUKK-ZBEGNZNMSA-N 1 0 295.377 2.167 20 10 CECDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000862487308 646478840 /nfs/dbraw/zinc/47/88/40/646478840.db2.gz OILFZQUZMPMLNL-CYBMUJFWSA-N 1 0 291.347 2.142 20 10 CECDRO O=C1OC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3O)C[C@@H]12 ZINC000862547278 646493047 /nfs/dbraw/zinc/49/30/47/646493047.db2.gz ZSGMQYDCACCXHE-UKRRQHHQSA-N 1 0 283.327 2.150 20 10 CECDRO COC[C@]1(C)C[N@H+](Cc2cc(C)c(C)cc2O)CCO1 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C[C@H]1CC[C@H](NCc2cc(Br)ccc2O)C[NH2+]1 ZINC000863485619 646740792 /nfs/dbraw/zinc/74/07/92/646740792.db2.gz NUGJQGWNDDXUKB-CABZTGNLSA-N 1 0 299.212 2.385 20 10 CECDRO CCC[N@H+](CC(=O)NC)Cc1ccc(N(C)CC)cc1 ZINC000773748143 646771927 /nfs/dbraw/zinc/77/19/27/646771927.db2.gz XBEWXRAWRQBQSW-UHFFFAOYSA-N 1 0 277.412 2.101 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)C[C@H](O)C2CC2)cc1 ZINC000773757552 646773366 /nfs/dbraw/zinc/77/33/66/646773366.db2.gz ZVWAZFCVGHSFAL-INIZCTEOSA-N 1 0 262.397 2.345 20 10 CECDRO CCN(C)c1ccc(C[NH2+]C2(C(=O)NC)CCCC2)cc1 ZINC000773774260 646775728 /nfs/dbraw/zinc/77/57/28/646775728.db2.gz SQYXCLQRQCDHFS-UHFFFAOYSA-N 1 0 289.423 2.291 20 10 CECDRO CCc1nncn1CC[NH2+][C@@H](CC)c1ccccc1O ZINC000775511107 646961438 /nfs/dbraw/zinc/96/14/38/646961438.db2.gz BIVFDWWILFHTFX-ZDUSSCGKSA-N 1 0 274.368 2.287 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1C(=O)NC)c1ccccc1O ZINC000775523918 646962644 /nfs/dbraw/zinc/96/26/44/646962644.db2.gz BAWQNVOWYZOJAP-RDBSUJKOSA-N 1 0 276.380 2.348 20 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BXPMDJMVAZCXNZ-BDJLRTHQSA-N 1 0 297.395 2.296 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c(O)c1 ZINC000776220361 647038204 /nfs/dbraw/zinc/03/82/04/647038204.db2.gz WJXPZFGRSFFJHO-WCQYABFASA-N 1 0 265.353 2.306 20 10 CECDRO CSC[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000777660196 647163029 /nfs/dbraw/zinc/16/30/29/647163029.db2.gz DHPNZIMSVWSOMI-MRXNPFEDSA-N 1 0 294.464 2.441 20 10 CECDRO CCOC[C@H](C)[NH2+]Cc1cc(OCC)ccc1O ZINC000778196947 647208613 /nfs/dbraw/zinc/20/86/13/647208613.db2.gz IZSPJBALOZVODB-NSHDSACASA-N 1 0 253.342 2.306 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000779203153 647297811 /nfs/dbraw/zinc/29/78/11/647297811.db2.gz ZXGSXPLHJBSUDK-CYBMUJFWSA-N 1 0 265.353 2.138 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc(C)no3)C2)cc1 ZINC000865621857 647392297 /nfs/dbraw/zinc/39/22/97/647392297.db2.gz CWZQFMOXLCBMEI-CYBMUJFWSA-N 1 0 287.363 2.360 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc(C)no3)C2)cc1 ZINC000865621858 647392555 /nfs/dbraw/zinc/39/25/55/647392555.db2.gz CWZQFMOXLCBMEI-ZDUSSCGKSA-N 1 0 287.363 2.360 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)c1O ZINC000865700176 647430389 /nfs/dbraw/zinc/43/03/89/647430389.db2.gz WLQVINOURLJQIG-CHWSQXEVSA-N 1 0 279.380 2.430 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1 ZINC000865711142 647433934 /nfs/dbraw/zinc/43/39/34/647433934.db2.gz JAAGJNLRVDRPNT-LDYMZIIASA-N 1 0 263.259 2.102 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)cc1C ZINC000865712240 647434833 /nfs/dbraw/zinc/43/48/33/647434833.db2.gz YKZVYGXPLAGWPT-BXKDBHETSA-N 1 0 277.286 2.405 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1O ZINC000780892560 647478368 /nfs/dbraw/zinc/47/83/68/647478368.db2.gz LMXJPXRDSUUMQH-CHWSQXEVSA-N 1 0 279.380 2.384 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)C[C@@H](C)O)c(O)c1 ZINC000782977136 647667321 /nfs/dbraw/zinc/66/73/21/647667321.db2.gz BYRIHBZSDVLKOB-WDEREUQCSA-N 1 0 253.342 2.040 20 10 CECDRO C[C@H]([NH2+]CCCN1CCCCC1=O)c1ccccc1O ZINC000783509801 647723353 /nfs/dbraw/zinc/72/33/53/647723353.db2.gz SZRIUQLXRNZOQB-ZDUSSCGKSA-N 1 0 276.380 2.445 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1OC ZINC000783545874 647728692 /nfs/dbraw/zinc/72/86/92/647728692.db2.gz VAWRVJXROFMYDR-SRVKXCTJSA-N 1 0 295.379 2.407 20 10 CECDRO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)c2c1c(F)ccc2O ZINC000866415922 647779788 /nfs/dbraw/zinc/77/97/88/647779788.db2.gz IKSAVTGBIUBVEL-UXCLJVHYSA-N 1 0 265.328 2.440 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCC3(COC(=O)N3)CC2)cc1C ZINC000784024459 647789706 /nfs/dbraw/zinc/78/97/06/647789706.db2.gz ZHCDUDDOZAVSJY-UHFFFAOYSA-N 1 0 290.363 2.083 20 10 CECDRO CC(C)[NH+](CCNC(=O)c1c(F)ccc(O)c1O)C(C)C ZINC000790065078 648377277 /nfs/dbraw/zinc/37/72/77/648377277.db2.gz HPTDAKKNRFQJCL-UHFFFAOYSA-N 1 0 298.358 2.086 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1C ZINC000790619741 648435415 /nfs/dbraw/zinc/43/54/15/648435415.db2.gz RGZIXZQGCMKQNA-GOEBONIOSA-N 1 0 295.423 2.257 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000793215601 648725000 /nfs/dbraw/zinc/72/50/00/648725000.db2.gz CEOZCUXPBIEYJB-OAHLLOKOSA-N 1 0 265.353 2.402 20 10 CECDRO COCc1cnc(C[NH2+]Cc2ccc(OC)cc2O)s1 ZINC000793387563 648749427 /nfs/dbraw/zinc/74/94/27/648749427.db2.gz HFLTVJVCFDVMCL-UHFFFAOYSA-N 1 0 294.376 2.294 20 10 CECDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCOC1 ZINC000123251547 648872327 /nfs/dbraw/zinc/87/23/27/648872327.db2.gz PJNYLAHZQKRMEX-CJNGLKHVSA-N 1 0 278.396 2.209 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870888197 648944095 /nfs/dbraw/zinc/94/40/95/648944095.db2.gz KTHZZCKKXCYXCK-CTYIDZIISA-N 1 0 289.423 2.195 20 10 CECDRO CC(C)[C@H](C(=O)N[C@H](C)c1ccccc1O)[C@@H](C)[NH3+] ZINC000870987667 648970492 /nfs/dbraw/zinc/97/04/92/648970492.db2.gz ABYMNZPBDCNQBV-GYSYKLTISA-N 1 0 264.369 2.189 20 10 CECDRO C[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1O ZINC000870988673 648971233 /nfs/dbraw/zinc/97/12/33/648971233.db2.gz WNAZMSKMAMGMLR-RLAWYHOSSA-N 1 0 288.391 2.490 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(Cl)ccc1O ZINC000872141115 649289827 /nfs/dbraw/zinc/28/98/27/649289827.db2.gz MPBZTLMDGSDELD-YRGRVCCFSA-N 1 0 285.771 2.236 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000872319228 649356370 /nfs/dbraw/zinc/35/63/70/649356370.db2.gz BJIOCBNFNWIJDP-GASCZTMLSA-N 1 0 260.381 2.221 20 10 CECDRO CCOc1ccc(CN[C@@]23CCC[C@H]2[NH2+]CC3)c(O)c1 ZINC000873229748 649601262 /nfs/dbraw/zinc/60/12/62/649601262.db2.gz FMCFARBONPJKCR-HZPDHXFCSA-N 1 0 276.380 2.165 20 10 CECDRO COc1cc(Cl)cc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230753 649602507 /nfs/dbraw/zinc/60/25/07/649602507.db2.gz XRMAKNAPTKPZFV-DZGCQCFKSA-N 1 0 296.798 2.428 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873232021 649603443 /nfs/dbraw/zinc/60/34/43/649603443.db2.gz TYMYMJHVAJHBLX-IAGOWNOFSA-N 1 0 273.424 2.435 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1[O-] ZINC000873251487 649609913 /nfs/dbraw/zinc/60/99/13/649609913.db2.gz VZNGENRJGZZHRU-NDMJEZRESA-N 1 0 252.333 2.309 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000873271281 649620449 /nfs/dbraw/zinc/62/04/49/649620449.db2.gz GPPRIFYAYMJGRX-WDEREUQCSA-N 1 0 293.367 2.339 20 10 CECDRO CCOCCC[NH2+]Cc1cccc(OCC)c1O ZINC000019962926 649704362 /nfs/dbraw/zinc/70/43/62/649704362.db2.gz MNPREEQAMPKAPA-UHFFFAOYSA-N 1 0 253.342 2.307 20 10 CECDRO CNC(=O)c1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000020093210 649724217 /nfs/dbraw/zinc/72/42/17/649724217.db2.gz XPHAEFZRZZMKKQ-UHFFFAOYSA-N 1 0 270.332 2.042 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCCOC[C@@H]2CCCO2)c1 ZINC000020146936 649729583 /nfs/dbraw/zinc/72/95/83/649729583.db2.gz IVLPWYONHLIGAI-HNNXBMFYSA-N 1 0 295.379 2.076 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccccc1O ZINC000879650410 651335780 /nfs/dbraw/zinc/33/57/80/651335780.db2.gz ZYAHQMPHQMNQQS-UONOGXRCSA-N 1 0 293.407 2.489 20 10 CECDRO CS[C@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000128062205 651358761 /nfs/dbraw/zinc/35/87/61/651358761.db2.gz MGFFUZBHKKOWSL-CYBMUJFWSA-N 1 0 280.437 2.364 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCOC[C@H]2OC)cc1 ZINC000880438149 651441292 /nfs/dbraw/zinc/44/12/92/651441292.db2.gz XRMRCNHPFUOKCE-DLBZAZTESA-N 1 0 292.423 2.378 20 10 CECDRO Cn1ccc(C[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000213179742 652235420 /nfs/dbraw/zinc/23/54/20/652235420.db2.gz BRIOVUNPEXYKTM-UHFFFAOYSA-N 1 0 251.717 2.069 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[NH2+]CCc1ccc(CO)cc1 ZINC000883083819 652359041 /nfs/dbraw/zinc/35/90/41/652359041.db2.gz ZRCVHSOKGUOCHR-UHFFFAOYSA-N 1 0 293.313 2.495 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCCOC1 ZINC000883183574 652392685 /nfs/dbraw/zinc/39/26/85/652392685.db2.gz FCDFURAWRBBAPA-HOTGVXAUSA-N 1 0 291.391 2.153 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCS1 ZINC000131354316 652417603 /nfs/dbraw/zinc/41/76/03/652417603.db2.gz RGRDYXNRQNDDSM-CQSZACIVSA-N 1 0 292.448 2.461 20 10 CECDRO COc1cccc(C[NH2+]C2CCC3(COC3)CC2)c1O ZINC000883391515 652453075 /nfs/dbraw/zinc/45/30/75/652453075.db2.gz MMZISPHOVUJVRK-UHFFFAOYSA-N 1 0 277.364 2.450 20 10 CECDRO COc1cccc(C[NH2+]CCNc2cccc(C)n2)c1O ZINC000133522725 652645248 /nfs/dbraw/zinc/64/52/48/652645248.db2.gz VQBDGPRAEVMHDL-UHFFFAOYSA-N 1 0 287.363 2.306 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000134511634 652849198 /nfs/dbraw/zinc/84/91/98/652849198.db2.gz MNXFEWYLPJOICQ-AWEZNQCLSA-N 1 0 289.423 2.101 20 10 CECDRO C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000134913885 652887516 /nfs/dbraw/zinc/88/75/16/652887516.db2.gz OEWSZEMGQZUQTB-RNFRBKRXSA-N 1 0 292.148 2.325 20 10 CECDRO C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000134913861 652887530 /nfs/dbraw/zinc/88/75/30/652887530.db2.gz OEWSZEMGQZUQTB-RQJHMYQMSA-N 1 0 292.148 2.325 20 10 CECDRO Oc1cc(O)c(CCNc2ccc3c(c2)C[NH2+]C3)cc1O ZINC001168006143 805661168 /nfs/dbraw/zinc/66/11/68/805661168.db2.gz SUKWXDNWXQIHGU-UHFFFAOYSA-N 1 0 286.331 2.061 20 10 CECDRO CC1([NH3+])CN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001204993154 805765704 /nfs/dbraw/zinc/76/57/04/805765704.db2.gz CLBAUPGYKSGHJO-UHFFFAOYSA-N 1 0 261.152 2.232 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)[C@H]1CO ZINC001140057728 802549633 /nfs/dbraw/zinc/54/96/33/802549633.db2.gz LJOAXTFMIMDZBC-GWCFXTLKSA-N 1 0 253.317 2.124 20 10 CECDRO COc1cccc(C[NH2+]CCOC2CCC2)c1O ZINC000690702862 802679446 /nfs/dbraw/zinc/67/94/46/802679446.db2.gz UCEGVFPQUBZBKD-UHFFFAOYSA-N 1 0 251.326 2.060 20 10 CECDRO C[C@H](O)C(C)(C)[NH2+]Cc1c(O)cccc1Br ZINC000706875247 802847639 /nfs/dbraw/zinc/84/76/39/802847639.db2.gz ROCLDPUIRMJJLR-QMMMGPOBSA-N 1 0 288.185 2.404 20 10 CECDRO C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccccc1O ZINC000690724252 802881041 /nfs/dbraw/zinc/88/10/41/802881041.db2.gz DQSFWHOYFDLCGS-CABZTGNLSA-N 1 0 257.280 2.467 20 10 CECDRO CCN(CC[NH+](C)C)Cc1cc(Cl)ccc1O ZINC000708351714 803325795 /nfs/dbraw/zinc/32/57/95/803325795.db2.gz ATIKJSBVZFIDSI-UHFFFAOYSA-N 1 0 256.777 2.429 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCc3cnccc3C2)c1O ZINC001140741950 803511746 /nfs/dbraw/zinc/51/17/46/803511746.db2.gz DXVRBGJWGXBXSB-UHFFFAOYSA-N 1 0 270.332 2.360 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@]2(C)OC)c1 ZINC000694413813 803549882 /nfs/dbraw/zinc/54/98/82/803549882.db2.gz APEYSDMXKZIUND-FZQKWOKYSA-N 1 0 251.326 2.229 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)c(O)c1 ZINC000694591104 803571071 /nfs/dbraw/zinc/57/10/71/803571071.db2.gz RLFWRPMCWZGMAS-CHWSQXEVSA-N 1 0 297.420 2.319 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)c1 ZINC000694591012 803571152 /nfs/dbraw/zinc/57/11/52/803571152.db2.gz QLWZERXJCDYRFJ-CHWSQXEVSA-N 1 0 297.420 2.319 20 10 CECDRO C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccccc1O ZINC000692808919 803928157 /nfs/dbraw/zinc/92/81/57/803928157.db2.gz UAHAHJLBLFRKQR-LBPRGKRZSA-N 1 0 297.420 2.258 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001118269363 814999719 /nfs/dbraw/zinc/99/97/19/814999719.db2.gz DLKNCTRPRPKJMR-JKOKRWQUSA-N 1 0 292.379 2.096 20 10 CECDRO Cc1cc(O)c(CN2CCC[NH2+]CC2)cc1Cl ZINC001204674810 804531566 /nfs/dbraw/zinc/53/15/66/804531566.db2.gz FPKSCODQKSAYNH-UHFFFAOYSA-N 1 0 254.761 2.149 20 10 CECDRO COC(=O)N(C)CC[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC001118595325 815028131 /nfs/dbraw/zinc/02/81/31/815028131.db2.gz RWOOFUQSFKMDHT-UHFFFAOYSA-N 1 0 292.379 2.011 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@H](C)O)cc1 ZINC000387040623 805336763 /nfs/dbraw/zinc/33/67/63/805336763.db2.gz RPPRNDISVDOUGQ-STQMWFEESA-N 1 0 250.386 2.392 20 10 CECDRO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(F)cc1[O-] ZINC000716662813 815139354 /nfs/dbraw/zinc/13/93/54/815139354.db2.gz ROOKOUDWUJGRDA-XVKPBYJWSA-N 1 0 263.259 2.198 20 10 CECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000716908380 815158898 /nfs/dbraw/zinc/15/88/98/815158898.db2.gz LRBITPRKXDWOAU-OCCSQVGLSA-N 1 0 250.386 2.392 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)CN2CCCCC2)c1O ZINC000037154044 807901758 /nfs/dbraw/zinc/90/17/58/807901758.db2.gz HWWRTCGRPHDZGZ-ZDUSSCGKSA-N 1 0 278.396 2.365 20 10 CECDRO Cc1csc(N2CC[NH+](Cc3ccc(N)cc3)CC2)n1 ZINC001120370894 815217485 /nfs/dbraw/zinc/21/74/85/815217485.db2.gz IXLGGCGKRKMQGC-UHFFFAOYSA-N 1 0 288.420 2.356 20 10 CECDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc(N)cc1 ZINC001120371358 815217638 /nfs/dbraw/zinc/21/76/38/815217638.db2.gz WUIBWHPIMOLXJS-UHFFFAOYSA-N 1 0 277.412 2.299 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1=O)c1ccc(N(C)C)cc1 ZINC001116673985 808862375 /nfs/dbraw/zinc/86/23/75/808862375.db2.gz QICMWGHIJBCKBL-WBMJQRKESA-N 1 0 287.407 2.167 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@@H](CCF)C2)c1O ZINC000700587760 809325150 /nfs/dbraw/zinc/32/51/50/809325150.db2.gz CYZKROYKKUAQNQ-ZDUSSCGKSA-N 1 0 253.317 2.261 20 10 CECDRO Cc1cc(CN2CCCc3cc(C[NH3+])ccc32)no1 ZINC000700926463 809373507 /nfs/dbraw/zinc/37/35/07/809373507.db2.gz QIFGLCUGVFAUTP-UHFFFAOYSA-N 1 0 257.337 2.395 20 10 CECDRO CCO[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000701708111 809450780 /nfs/dbraw/zinc/45/07/80/809450780.db2.gz CQCOXPRWCFBGDR-ZDUSSCGKSA-N 1 0 281.327 2.345 20 10 CECDRO C[C@H](C[NH2+]Cc1c(O)cccc1Br)N(C)C ZINC000706863376 809858947 /nfs/dbraw/zinc/85/89/47/809858947.db2.gz FLLVJHCJAPKAAA-SECBINFHSA-N 1 0 287.201 2.194 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN3C(=O)CC[C@H]3C2)cc1C ZINC001172163247 815325379 /nfs/dbraw/zinc/32/53/79/815325379.db2.gz UUXMCEQMAPRGAY-CABCVRRESA-N 1 0 288.391 2.247 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN3C(=O)CC[C@@H]3C2)cc1C ZINC001172163250 815326163 /nfs/dbraw/zinc/32/61/63/815326163.db2.gz UUXMCEQMAPRGAY-HUUCEWRRSA-N 1 0 288.391 2.247 20 10 CECDRO CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708516471 809944075 /nfs/dbraw/zinc/94/40/75/809944075.db2.gz IRYOSBRJIBZBLR-LLVKDONJSA-N 1 0 284.350 2.492 20 10 CECDRO C[C@H](O)CC[NH2+]Cc1cc(Br)ccc1O ZINC000114770868 810480259 /nfs/dbraw/zinc/48/02/59/810480259.db2.gz YAJDXWGFRQPKTK-QMMMGPOBSA-N 1 0 274.158 2.015 20 10 CECDRO CC[C@H](C)OCC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172323157 815372823 /nfs/dbraw/zinc/37/28/23/815372823.db2.gz GISUKJWJTCWNNO-RYUDHWBXSA-N 1 0 295.379 2.464 20 10 CECDRO COc1ccc(N2CC[NH+]([C@@H]3COC(C)(C)C3)CC2)cc1 ZINC001172279091 815373268 /nfs/dbraw/zinc/37/32/68/815373268.db2.gz DYYOZBKTHLMDLT-HNNXBMFYSA-N 1 0 290.407 2.385 20 10 CECDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1C ZINC001122003723 815376966 /nfs/dbraw/zinc/37/69/66/815376966.db2.gz GBTDTSCCOGKYKE-BLLLJJGKSA-N 1 0 291.439 2.441 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCOC[C@@H]1CCCO1 ZINC000115624997 810620428 /nfs/dbraw/zinc/62/04/28/810620428.db2.gz JCQVURFQQMKGRW-NSHDSACASA-N 1 0 285.771 2.331 20 10 CECDRO CC1(C)C[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CO1 ZINC001172293862 815384590 /nfs/dbraw/zinc/38/45/90/815384590.db2.gz SXGIBIOMRAQCDW-CYBMUJFWSA-N 1 0 277.364 2.414 20 10 CECDRO C[C@@H](NC(=O)[C@H]1C[NH2+]CCC12CCC2)c1ccccc1O ZINC001122192173 815391464 /nfs/dbraw/zinc/39/14/64/815391464.db2.gz QVSGPJKNEVOBQM-TZMCWYRMSA-N 1 0 288.391 2.349 20 10 CECDRO C[C@H]1COC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000829431590 810870129 /nfs/dbraw/zinc/87/01/29/810870129.db2.gz ISZSPOWFXDWUDC-GZMMTYOYSA-N 1 0 286.169 2.279 20 10 CECDRO CCCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000389412729 811205622 /nfs/dbraw/zinc/20/56/22/811205622.db2.gz SLLWGCWPKBQZCA-OAHLLOKOSA-N 1 0 260.381 2.195 20 10 CECDRO C[NH+](C)Cc1ccc(NCc2ccc(O)c(O)c2)nc1 ZINC001169990286 811852055 /nfs/dbraw/zinc/85/20/55/811852055.db2.gz DVWPOPGRLGNRCF-UHFFFAOYSA-N 1 0 273.336 2.167 20 10 CECDRO COc1cc(Cl)cc(CN2CC[NH2+]C(C)(C)C2)c1O ZINC000396075866 812094995 /nfs/dbraw/zinc/09/49/95/812094995.db2.gz RFTSEJNEJAXKMG-UHFFFAOYSA-N 1 0 284.787 2.238 20 10 CECDRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2O)CC1 ZINC001172777334 815517951 /nfs/dbraw/zinc/51/79/51/815517951.db2.gz PRSODUAFJGSOCW-AAEUAGOBSA-N 1 0 293.363 2.309 20 10 CECDRO CC[C@@]1([NH2+]Cc2cc(OC)ccc2O)CCOC1 ZINC000386016480 813150443 /nfs/dbraw/zinc/15/04/43/813150443.db2.gz WDDOTJUPDXWDAI-CQSZACIVSA-N 1 0 251.326 2.060 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCN(C3CC3)C1)CC2 ZINC000389088052 813246605 /nfs/dbraw/zinc/24/66/05/813246605.db2.gz FYPYJFSWNCJGBK-TZMCWYRMSA-N 1 0 258.365 2.206 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCCOC2)c1 ZINC000389138097 813248372 /nfs/dbraw/zinc/24/83/72/813248372.db2.gz XTIZKLJBCKMPHQ-VXGBXAGGSA-N 1 0 265.353 2.306 20 10 CECDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000395774480 813541422 /nfs/dbraw/zinc/54/14/22/813541422.db2.gz SPLFCSCTUYBRQJ-HNNXBMFYSA-N 1 0 291.439 2.393 20 10 CECDRO CCOc1cccc(C[NH2+]CCC2(CO)CC2)c1O ZINC000395890546 813547367 /nfs/dbraw/zinc/54/73/67/813547367.db2.gz RJYAXMBTDCWCCK-UHFFFAOYSA-N 1 0 265.353 2.043 20 10 CECDRO CCOc1cccc(C[NH2+][C@](C)(CO)C(C)C)c1O ZINC000398462715 813674823 /nfs/dbraw/zinc/67/48/23/813674823.db2.gz KACXZQZRAWVNEF-OAHLLOKOSA-N 1 0 267.369 2.288 20 10 CECDRO COc1cccc(C[N@@H+]2CCCOC[C@H]2C)c1O ZINC000398932019 813688140 /nfs/dbraw/zinc/68/81/40/813688140.db2.gz PGUDWCHXYUYXPG-LLVKDONJSA-N 1 0 251.326 2.012 20 10 CECDRO Oc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)nc1 ZINC001144263295 814013930 /nfs/dbraw/zinc/01/39/30/814013930.db2.gz TTWZUDYXEWVWIS-UHFFFAOYSA-N 1 0 256.305 2.051 20 10 CECDRO CC(C)[C@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515441 814099992 /nfs/dbraw/zinc/09/99/92/814099992.db2.gz OSJUMDLDUUVWGA-GFCCVEGCSA-N 1 0 251.326 2.424 20 10 CECDRO c1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc2c1OCC2 ZINC000691452859 814595393 /nfs/dbraw/zinc/59/53/93/814595393.db2.gz UAVVIKSPFZQBCA-GDBMZVCRSA-N 1 0 259.349 2.279 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)CC2CCOCC2)c1 ZINC001116811526 814884993 /nfs/dbraw/zinc/88/49/93/814884993.db2.gz UVYPCRLYUBCUMH-OAHLLOKOSA-N 1 0 293.407 2.215 20 10 CECDRO CC[C@H]([NH2+]Cc1nnc(C)n1C)c1ccc(C)cc1O ZINC001116890589 814889815 /nfs/dbraw/zinc/88/98/15/814889815.db2.gz ZFTPUUPRTYNFQS-ZDUSSCGKSA-N 1 0 274.368 2.378 20 10 CECDRO Cc1cc(C[N@@H+]2CCCC[C@@H](O)C2)ccc1N(C)C ZINC001139670029 815625646 /nfs/dbraw/zinc/62/56/46/815625646.db2.gz VWPXYDVZGFEQTM-OAHLLOKOSA-N 1 0 262.397 2.408 20 10 CECDRO CCCC[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137837743 815692942 /nfs/dbraw/zinc/69/29/42/815692942.db2.gz SOMZKBFAOSEAAY-UHFFFAOYSA-N 1 0 266.360 2.449 20 10 CECDRO Cc1c(C[N@@H+]2C[C@@H]3CCNC(=O)[C@@H]3C2)c2ccccc2n1C ZINC001138257952 815756141 /nfs/dbraw/zinc/75/61/41/815756141.db2.gz FLXAATMRRVNRSK-XJKSGUPXSA-N 1 0 297.402 2.055 20 10 CECDRO COCC[N@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138338141 815769928 /nfs/dbraw/zinc/76/99/28/815769928.db2.gz KSZFXHCRCUKBPB-UHFFFAOYSA-N 1 0 290.407 2.169 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCC[C@](C)(O)C3)ccc21 ZINC001138358195 815774255 /nfs/dbraw/zinc/77/42/55/815774255.db2.gz PTUGIMICMDZUHH-KRWDZBQOSA-N 1 0 274.408 2.416 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](O)[C@H](F)CC3)ccc21 ZINC001138354980 815775364 /nfs/dbraw/zinc/77/53/64/815775364.db2.gz XLFJTAWNWAWRNN-NVXWUHKLSA-N 1 0 292.398 2.364 20 10 CECDRO CN1CCCc2cc(CN3CCC[N@H+](C)CC3)ccc21 ZINC001138354695 815775401 /nfs/dbraw/zinc/77/54/01/815775401.db2.gz QLQOWEKPKLOPOI-UHFFFAOYSA-N 1 0 273.424 2.207 20 10 CECDRO FC[C@H]1[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]12 ZINC001138499647 815815538 /nfs/dbraw/zinc/81/55/38/815815538.db2.gz XKJOJKNENHMXQW-OSYLJGHBSA-N 1 0 290.382 2.171 20 10 CECDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138501334 815816176 /nfs/dbraw/zinc/81/61/76/815816176.db2.gz PQLBRMIGZDVLMT-KRWDZBQOSA-N 1 0 288.391 2.077 20 10 CECDRO Oc1cccc2c1C[N@H+](Cc1ccc3nonc3c1)CC2 ZINC001139221963 815990375 /nfs/dbraw/zinc/99/03/75/815990375.db2.gz DQZDUSDCZMMRSI-UHFFFAOYSA-N 1 0 281.315 2.487 20 10 CECDRO C[NH+]1CCN(c2ccc(C[N@@H+]3CCC4(CC4)C3)cc2)CC1 ZINC001139409262 816018785 /nfs/dbraw/zinc/01/87/85/816018785.db2.gz YHLFYSWMAMOKBO-UHFFFAOYSA-N 1 0 285.435 2.424 20 10 CECDRO CC(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139673364 816076867 /nfs/dbraw/zinc/07/68/67/816076867.db2.gz FPAFCFIJOHWPPS-HNNXBMFYSA-N 1 0 260.381 2.472 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCC[C@@H]1O ZINC001140057417 816179684 /nfs/dbraw/zinc/17/96/84/816179684.db2.gz GXOKWZWMUQSGNP-GWCFXTLKSA-N 1 0 253.317 2.124 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCN(CCF)CC2)c1O ZINC001140182106 816205287 /nfs/dbraw/zinc/20/52/87/816205287.db2.gz JHTLCZVUEQUKOQ-UHFFFAOYSA-N 1 0 266.360 2.096 20 10 CECDRO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1c(C)ccc(C)c1O ZINC001140180587 816205340 /nfs/dbraw/zinc/20/53/40/816205340.db2.gz ZFRFKSJSWISYHG-YIONKMFJSA-N 1 0 291.391 2.387 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1O ZINC001140182685 816206313 /nfs/dbraw/zinc/20/63/13/816206313.db2.gz XGNAWCIRADCPRX-CQSZACIVSA-N 1 0 286.379 2.438 20 10 CECDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001140465540 816260147 /nfs/dbraw/zinc/26/01/47/816260147.db2.gz NHOWCVYISNPNRB-ZDUSSCGKSA-N 1 0 292.770 2.474 20 10 CECDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(C)ccc1O)C2 ZINC001140622968 816306356 /nfs/dbraw/zinc/30/63/56/816306356.db2.gz JEKZOXBLHMKRAZ-GUTXKFCHSA-N 1 0 289.375 2.474 20 10 CECDRO Cc1c(O)ccc(CN2CC([NH+]3CCC(F)CC3)C2)c1O ZINC001140748783 816343843 /nfs/dbraw/zinc/34/38/43/816343843.db2.gz JXDSKXJDXGSXBG-UHFFFAOYSA-N 1 0 294.370 2.024 20 10 CECDRO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(C)cc1O ZINC001140949835 816422178 /nfs/dbraw/zinc/42/21/78/816422178.db2.gz IEVLBOLJUNGOBU-YIONKMFJSA-N 1 0 277.364 2.079 20 10 CECDRO COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140957536 816425382 /nfs/dbraw/zinc/42/53/82/816425382.db2.gz CYGPMPGBTWUTRP-CYBMUJFWSA-N 1 0 277.364 2.476 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)O)c(OC)c1 ZINC001141029457 816450414 /nfs/dbraw/zinc/45/04/14/816450414.db2.gz SGXQVJXJXGBMBV-HNNXBMFYSA-N 1 0 295.379 2.145 20 10 CECDRO COc1cc(O)c(C[N@H+](C)C2CCOCC2)c(OC)c1 ZINC001141032189 816453203 /nfs/dbraw/zinc/45/32/03/816453203.db2.gz VENBZZDLIBQHPU-UHFFFAOYSA-N 1 0 281.352 2.020 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)CC[C@H]1O ZINC001141139945 816483883 /nfs/dbraw/zinc/48/38/83/816483883.db2.gz FWKAQRPFZADQLB-CZUORRHYSA-N 1 0 290.407 2.108 20 10 CECDRO OCC[N@H+](Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141155609 816488905 /nfs/dbraw/zinc/48/89/05/816488905.db2.gz AYUMRZZPTUGFFQ-UHFFFAOYSA-N 1 0 273.332 2.092 20 10 CECDRO CCCCC[NH+]1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141158670 816489909 /nfs/dbraw/zinc/48/99/09/816489909.db2.gz JBUXLDNFLHPNOH-UHFFFAOYSA-N 1 0 278.396 2.406 20 10 CECDRO Cc1nc([C@@H]2CCC[N@H+](Cc3cc(O)ccc3O)C2)no1 ZINC001141156695 816489936 /nfs/dbraw/zinc/48/99/36/816489936.db2.gz QVPXPTUUXQFDIV-LLVKDONJSA-N 1 0 289.335 2.169 20 10 CECDRO COC[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141156965 816490849 /nfs/dbraw/zinc/49/08/49/816490849.db2.gz ZJBYMFIHAHVIPQ-GFCCVEGCSA-N 1 0 251.326 2.099 20 10 CECDRO CC[N@H+](C)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162304 816491460 /nfs/dbraw/zinc/49/14/60/816491460.db2.gz ONLFTJSRRFOSRQ-UHFFFAOYSA-N 1 0 264.369 2.014 20 10 CECDRO C[N@H+](C1CC1)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141161532 816491604 /nfs/dbraw/zinc/49/16/04/816491604.db2.gz UIDICENQBOEENI-UHFFFAOYSA-N 1 0 276.380 2.156 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)[C@H]2CCOC2)cc1 ZINC001178361087 816732675 /nfs/dbraw/zinc/73/26/75/816732675.db2.gz UFVGHTGKGQDSFU-RDJZCZTQSA-N 1 0 292.423 2.020 20 10 CECDRO CCCNC(=O)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000035134110 361819831 /nfs/dbraw/zinc/81/98/31/361819831.db2.gz CNWPVEWKPJTMDA-UHFFFAOYSA-N 1 0 277.412 2.149 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCCO2)c1 ZINC000042814613 362122591 /nfs/dbraw/zinc/12/25/91/362122591.db2.gz OMIOBCDNGYYNRB-CYBMUJFWSA-N 1 0 251.326 2.060 20 10 CECDRO COc1ccc(N2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000066863786 343724027 /nfs/dbraw/zinc/72/40/27/343724027.db2.gz VYALRMJQLLGMJM-UHFFFAOYSA-N 1 0 278.396 2.242 20 10 CECDRO COc1cc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1OC ZINC000179445111 344504721 /nfs/dbraw/zinc/50/47/21/344504721.db2.gz UBDKTDMMIKBJKC-TXEJJXNPSA-N 1 0 277.364 2.497 20 10 CECDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(F)ccc3O)[C@H]2C1 ZINC000246063142 344613783 /nfs/dbraw/zinc/61/37/83/344613783.db2.gz ZHQBDFUDNPYIQU-IJEWVQPXSA-N 1 0 295.354 2.300 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2ccccn2)c1 ZINC000020089323 361577028 /nfs/dbraw/zinc/57/70/28/361577028.db2.gz BICLKDFBCLOHBS-UHFFFAOYSA-N 1 0 258.321 2.128 20 10 CECDRO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000089729018 363995861 /nfs/dbraw/zinc/99/58/61/363995861.db2.gz ROMNGQXXKAVRHQ-CZUORRHYSA-N 1 0 289.423 2.413 20 10 CECDRO CC[C@](C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000111384720 364732437 /nfs/dbraw/zinc/73/24/37/364732437.db2.gz HCFIHTCDJPUHLO-LBPRGKRZSA-N 1 0 288.185 2.405 20 10 CECDRO CCOC(C)(C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000159179961 366885377 /nfs/dbraw/zinc/88/53/77/366885377.db2.gz UZCJSISJKOODFE-UHFFFAOYSA-N 1 0 267.325 2.026 20 10 CECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[NH+](C)C ZINC000171357237 367527128 /nfs/dbraw/zinc/52/71/28/367527128.db2.gz PXBMVJQZKWZPFV-UHFFFAOYSA-N 1 0 289.423 2.197 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@@](C)(O)CC)ccc1OC ZINC000171785664 367615626 /nfs/dbraw/zinc/61/56/26/367615626.db2.gz WGTRHXPEIIXMHK-INIZCTEOSA-N 1 0 281.396 2.482 20 10 CECDRO CC[C@H]([NH2+]CCC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000178294322 368295612 /nfs/dbraw/zinc/29/56/12/368295612.db2.gz RJPIGPGUKYIEIR-HNNXBMFYSA-N 1 0 277.412 2.272 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180195631 368371912 /nfs/dbraw/zinc/37/19/12/368371912.db2.gz SBJIIRCDTUOPPZ-LBPRGKRZSA-N 1 0 267.300 2.059 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+](C)CCN2CCOCC2)c1O ZINC000180023884 368362841 /nfs/dbraw/zinc/36/28/41/368362841.db2.gz HHZOQAWYZAVWFU-UHFFFAOYSA-N 1 0 298.814 2.118 20 10 CECDRO CN(C)C(=O)CC1CC[NH+](Cc2ccccc2O)CC1 ZINC000180333416 368377105 /nfs/dbraw/zinc/37/71/05/368377105.db2.gz REGYLWKRNOYTOZ-UHFFFAOYSA-N 1 0 276.380 2.083 20 10 CECDRO CCC(O)(CC)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000181255487 368437004 /nfs/dbraw/zinc/43/70/04/368437004.db2.gz KVFIEHCTLCMVLZ-UHFFFAOYSA-N 1 0 283.368 2.050 20 10 CECDRO C[C@H]([NH2+]CCCN1CCC(O)CC1)c1cc(F)ccc1O ZINC000185116528 368750364 /nfs/dbraw/zinc/75/03/64/368750364.db2.gz JNCSEHMUZLCEKX-LBPRGKRZSA-N 1 0 296.386 2.029 20 10 CECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cccc(OCC)c1O ZINC000185828511 368869597 /nfs/dbraw/zinc/86/95/97/368869597.db2.gz IOKSJAKINQZJBD-LQPUYASZSA-N 1 0 265.353 2.208 20 10 CECDRO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1O ZINC000191673997 369732576 /nfs/dbraw/zinc/73/25/76/369732576.db2.gz OLLPWFIICXHRQE-UXIGCNINSA-N 1 0 275.348 2.166 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H](CO)C(C)(C)C)cc1 ZINC000194634236 370059864 /nfs/dbraw/zinc/05/98/64/370059864.db2.gz VORRVVWJCSPGEZ-CQSZACIVSA-N 1 0 250.386 2.249 20 10 CECDRO CCN(C(=O)C1=CC[C@H]([NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000637930811 370178332 /nfs/dbraw/zinc/17/83/32/370178332.db2.gz AFASTHTTWCKPQR-LBPRGKRZSA-N 1 0 290.363 2.104 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC(C)(C)CCCO)c1 ZINC000224942022 370284040 /nfs/dbraw/zinc/28/40/40/370284040.db2.gz DMVOXNPQBCDKIZ-UHFFFAOYSA-N 1 0 267.369 2.289 20 10 CECDRO CC[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264471526 371996697 /nfs/dbraw/zinc/99/66/97/371996697.db2.gz RVVDFGGDCDTABY-MRXNPFEDSA-N 1 0 262.397 2.488 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CCO)COC)cc1 ZINC000268995712 372310573 /nfs/dbraw/zinc/31/05/73/372310573.db2.gz IHPWXTVHGRSLDK-ZFWWWQNUSA-N 1 0 280.412 2.191 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1O ZINC000364509126 372744873 /nfs/dbraw/zinc/74/48/73/372744873.db2.gz BDYYSAUEIYGIDS-AWEZNQCLSA-N 1 0 263.337 2.012 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000367317272 373147568 /nfs/dbraw/zinc/14/75/68/373147568.db2.gz JIWFMQIRXFCWBB-CJNGLKHVSA-N 1 0 290.363 2.418 20 10 CECDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccccc1O)CC2 ZINC000271460286 373192580 /nfs/dbraw/zinc/19/25/80/373192580.db2.gz XEHLABOXSYVVPS-HOTGVXAUSA-N 1 0 291.391 2.144 20 10 CECDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccc(N2CCOCC2)cc1 ZINC000271782296 373199737 /nfs/dbraw/zinc/19/97/37/373199737.db2.gz IEEWFCTYAXVNBY-AWEZNQCLSA-N 1 0 292.423 2.335 20 10 CECDRO CCCNC(=O)C[N@H+](CCC)Cc1cccc(C)c1O ZINC000271722379 373199938 /nfs/dbraw/zinc/19/99/38/373199938.db2.gz KLCOUVNGZBSRIV-UHFFFAOYSA-N 1 0 278.396 2.439 20 10 CECDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccc(N2CCOCC2)cc1 ZINC000271782297 373201543 /nfs/dbraw/zinc/20/15/43/373201543.db2.gz IEEWFCTYAXVNBY-CQSZACIVSA-N 1 0 292.423 2.335 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccccc1O ZINC000368602878 373249415 /nfs/dbraw/zinc/24/94/15/373249415.db2.gz LIRYWQHBBSHGFY-ZENOOKHLSA-N 1 0 277.364 2.381 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000272609196 373579453 /nfs/dbraw/zinc/57/94/53/373579453.db2.gz KDYYAKKCWJXRPJ-XJKSGUPXSA-N 1 0 290.407 2.317 20 10 CECDRO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2ccccc2O)[nH]1 ZINC000272862995 373686533 /nfs/dbraw/zinc/68/65/33/373686533.db2.gz NGUIDJMYMNKTCU-NXEZZACHSA-N 1 0 260.341 2.485 20 10 CECDRO Cc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC000272988722 373741709 /nfs/dbraw/zinc/74/17/09/373741709.db2.gz FDBXEIPWFAKLIB-OAHLLOKOSA-N 1 0 297.402 2.433 20 10 CECDRO C[C@H]1C[C@H](CC[NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000273076499 373746607 /nfs/dbraw/zinc/74/66/07/373746607.db2.gz PPSPDNFXPXACHD-NWDGAFQWSA-N 1 0 293.363 2.416 20 10 CECDRO CNC(=O)CCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273465203 373759738 /nfs/dbraw/zinc/75/97/38/373759738.db2.gz DPEZBKKJZYDLGX-GFCCVEGCSA-N 1 0 264.369 2.186 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000273464233 373760076 /nfs/dbraw/zinc/76/00/76/373760076.db2.gz DIOUWAVHYZSHOJ-LBPRGKRZSA-N 1 0 294.395 2.171 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)OC)c1 ZINC000273568726 373764334 /nfs/dbraw/zinc/76/43/34/373764334.db2.gz KEWCEYQTUXEMRH-QWRGUYRKSA-N 1 0 253.342 2.476 20 10 CECDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000273599709 373766277 /nfs/dbraw/zinc/76/62/77/373766277.db2.gz RRKKIAYNCBUYTI-WCQYABFASA-N 1 0 298.814 2.417 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000371884391 373998885 /nfs/dbraw/zinc/99/88/85/373998885.db2.gz PWGDQDYCSPLUEO-HUUCEWRRSA-N 1 0 288.391 2.225 20 10 CECDRO COCC1(C[NH2+]Cc2cc(OC)ccc2O)CCC1 ZINC000282622888 375533994 /nfs/dbraw/zinc/53/39/94/375533994.db2.gz YBVOXDJNEAPMSH-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO CCCC[N@H+](CC(=O)N(C)C)Cc1ccccc1O ZINC000282505028 375501606 /nfs/dbraw/zinc/50/16/06/375501606.db2.gz RHEDFNQTTJQBLJ-UHFFFAOYSA-N 1 0 264.369 2.083 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)NC(C)C)c(O)c1 ZINC000284162723 375819394 /nfs/dbraw/zinc/81/93/94/375819394.db2.gz PXXRMOZKSABISR-GFCCVEGCSA-N 1 0 264.369 2.184 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1O ZINC000283963449 375787729 /nfs/dbraw/zinc/78/77/29/375787729.db2.gz FBXJAAGVYPNIAF-JSGCOSHPSA-N 1 0 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GROMCQBHMSLMDK-LBPRGKRZSA-N 1 0 267.369 2.432 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CC[C@@H](CO)C2)c1O ZINC000295099594 378042061 /nfs/dbraw/zinc/04/20/61/378042061.db2.gz SNNOBDUABSKFRB-YPMHNXCESA-N 1 0 265.353 2.042 20 10 CECDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000295142356 378044708 /nfs/dbraw/zinc/04/47/08/378044708.db2.gz IWNDVABVQXIMKT-CYBMUJFWSA-N 1 0 289.423 2.073 20 10 CECDRO CCC[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)OC ZINC000295189155 378047904 /nfs/dbraw/zinc/04/79/04/378047904.db2.gz XBJVSQACAZJGKC-GFCCVEGCSA-N 1 0 283.368 2.314 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CC(C)(C)CO)cc1 ZINC000294792271 378019880 /nfs/dbraw/zinc/01/98/80/378019880.db2.gz MASCNMYMYWFDPI-UHFFFAOYSA-N 1 0 250.386 2.203 20 10 CECDRO CCC[C@H](O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000296815665 378654797 /nfs/dbraw/zinc/65/47/97/378654797.db2.gz QJLITNLPHZNVJJ-AWEZNQCLSA-N 1 0 296.386 2.117 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)c(O)c1 ZINC000527956747 379857265 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Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)C(C)C)c(O)c1 ZINC000289820358 395088394 /nfs/dbraw/zinc/08/83/94/395088394.db2.gz AEMZYGKRXVXRFL-LBPRGKRZSA-N 1 0 285.409 2.174 20 10 CECDRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178657137 395172575 /nfs/dbraw/zinc/17/25/75/395172575.db2.gz ZFUBFCLQWYDULK-OAHLLOKOSA-N 1 0 289.423 2.276 20 10 CECDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)CO ZINC000293612094 395243666 /nfs/dbraw/zinc/24/36/66/395243666.db2.gz KCFKJZWRBYZAKF-VIFPVBQESA-N 1 0 288.185 2.357 20 10 CECDRO COC[C@@H]([NH2+]Cc1cc(OC)ccc1O)c1ccco1 ZINC000182531264 395244117 /nfs/dbraw/zinc/24/41/17/395244117.db2.gz YJLYVXFGAAYKLO-CYBMUJFWSA-N 1 0 277.320 2.471 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(C)cc1O ZINC000293708321 395247804 /nfs/dbraw/zinc/24/78/04/395247804.db2.gz MPKSXSBQNPFGSR-IPYPFGDCSA-N 1 0 279.380 2.281 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1O ZINC000187985403 395309285 /nfs/dbraw/zinc/30/92/85/395309285.db2.gz KNGNNEMKBUALRY-BXKDBHETSA-N 1 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VHVPLBLZZPLSFC-CYBMUJFWSA-N 1 0 295.379 2.410 20 10 CECDRO COCCCN(C)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000166744901 261393369 /nfs/dbraw/zinc/39/33/69/261393369.db2.gz YUPINNXHPUBDEC-OAHLLOKOSA-N 1 0 293.455 2.372 20 10 CECDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000168825869 261422093 /nfs/dbraw/zinc/42/20/93/261422093.db2.gz CGESFSRWTWESEG-WDEREUQCSA-N 1 0 253.342 2.212 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)C(N)=O)cc1 ZINC000183201947 261966927 /nfs/dbraw/zinc/96/69/27/261966927.db2.gz MTFNVDVBQNXAJM-GFCCVEGCSA-N 1 0 277.412 2.305 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCN(Cc3ccncc3)CC2)c1 ZINC000184714551 262027095 /nfs/dbraw/zinc/02/70/95/262027095.db2.gz NJVHNTHPNMDIFU-UHFFFAOYSA-N 1 0 297.402 2.413 20 10 CECDRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1cc(Cl)ccc1O ZINC000184866725 262031525 /nfs/dbraw/zinc/03/15/25/262031525.db2.gz NYHRFARCTIYLKI-SECBINFHSA-N 1 0 282.771 2.222 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c(O)c1 ZINC000185505292 262057869 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OCCC[N@H+](Cc1ccccn1)Cc1cc(F)ccc1O ZINC000289567533 263110932 /nfs/dbraw/zinc/11/09/32/263110932.db2.gz ZHNBUJFGSBPGMC-UHFFFAOYSA-N 1 0 290.338 2.311 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cc(Cl)ccc1O ZINC000294061493 265006093 /nfs/dbraw/zinc/00/60/93/265006093.db2.gz HECYWSHUASRZHS-WCQGTBRESA-N 1 0 285.771 2.236 20 10 CECDRO Cc1ccc(O)c(CN2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000367535896 267098688 /nfs/dbraw/zinc/09/86/88/267098688.db2.gz NBJSJBYCUFBBEL-OAHLLOKOSA-N 1 0 292.448 2.324 20 10 CECDRO CO[C@H](C)C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000367821020 267119945 /nfs/dbraw/zinc/11/99/45/267119945.db2.gz MJQYMYJHSFLACY-CYBMUJFWSA-N 1 0 260.381 2.487 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000368041613 267141364 /nfs/dbraw/zinc/14/13/64/267141364.db2.gz UQHMMJKPLBSSGX-DMDPSCGWSA-N 1 0 253.317 2.248 20 10 CECDRO NC(=O)C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000377193061 268054457 /nfs/dbraw/zinc/05/44/57/268054457.db2.gz OLQPKPJLHHQPBI-LBPRGKRZSA-N 1 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/nfs/dbraw/zinc/20/16/22/328201622.db2.gz WNMXMAYFZNAJBN-RYUDHWBXSA-N 1 0 262.353 2.052 20 10 CECDRO CCCNC(=O)C[N@H+](CCC)Cc1cccc(OC)c1O ZINC000092192451 327189538 /nfs/dbraw/zinc/18/95/38/327189538.db2.gz IMHJLMUPOANUFF-UHFFFAOYSA-N 1 0 294.395 2.139 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c1O ZINC000271259449 327525849 /nfs/dbraw/zinc/52/58/49/327525849.db2.gz AJXZIYVRVQDTRB-NWDGAFQWSA-N 1 0 265.353 2.306 20 10 CECDRO C[C@H](CCCO)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000294668621 327548040 /nfs/dbraw/zinc/54/80/40/327548040.db2.gz APZIWTISOBFKPO-CYBMUJFWSA-N 1 0 250.386 2.251 20 10 CECDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCN3CCC2CC3)c1 ZINC000377634185 329022102 /nfs/dbraw/zinc/02/21/02/329022102.db2.gz ZBKJCWZZKMHDKX-LBPRGKRZSA-N 1 0 276.380 2.242 20 10 CECDRO Oc1cccc(Cl)c1CN1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377709676 329026336 /nfs/dbraw/zinc/02/63/36/329026336.db2.gz ZGDGDKWTMBQIAX-UKRRQHHQSA-N 1 0 297.782 2.425 20 10 CECDRO COC[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000172922337 329140536 /nfs/dbraw/zinc/14/05/36/329140536.db2.gz UOEXMRRCNPGJIP-CQSZACIVSA-N 1 0 287.359 2.393 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000190344193 329395257 /nfs/dbraw/zinc/39/52/57/329395257.db2.gz AUVCDYRXAOSFBO-FMKPAKJESA-N 1 0 277.364 2.448 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c(O)c1 ZINC000252538503 334382221 /nfs/dbraw/zinc/38/22/21/334382221.db2.gz AQEPXKZNEPWJBO-SOUVJXGZSA-N 1 0 290.407 2.214 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1O ZINC000230315199 333316278 /nfs/dbraw/zinc/31/62/78/333316278.db2.gz BNADWILIVRETDL-CJNGLKHVSA-N 1 0 277.364 2.448 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)cc1 ZINC000230316846 333316551 /nfs/dbraw/zinc/31/65/51/333316551.db2.gz JMEYBAHKUWZABP-HOTGVXAUSA-N 1 0 260.381 2.410 20 10 CECDRO Cc1c2ccccc2n(C)c1CNc1cc[nH+]cc1C(N)=O ZINC000530376309 333545464 /nfs/dbraw/zinc/54/54/64/333545464.db2.gz ZEYUWSCDIQIBRX-UHFFFAOYSA-N 1 0 294.358 2.015 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1O ZINC000277373045 518287341 /nfs/dbraw/zinc/28/73/41/518287341.db2.gz HIJNXESVGXGRSI-LKFCYVNXSA-N 1 0 281.327 2.249 20 10 CECDRO CCOCCOCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000276213081 519993873 /nfs/dbraw/zinc/99/38/73/519993873.db2.gz PNOHWZMWFFYJDH-UHFFFAOYSA-N 1 0 298.402 2.377 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)ccc1OC ZINC000188798038 520186079 /nfs/dbraw/zinc/18/60/79/520186079.db2.gz BQZRTTGQBJWDOH-ZBFHGGJFSA-N 1 0 293.407 2.482 20 10 CECDRO CC[NH+](CC)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159701 520576567 /nfs/dbraw/zinc/57/65/67/520576567.db2.gz UKHFKGGDHGEXCG-UHFFFAOYSA-N 1 0 290.407 2.229 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])C(C)C)cc1F ZINC000269267215 520903993 /nfs/dbraw/zinc/90/39/93/520903993.db2.gz PXVSETRGMDFFGZ-OAHLLOKOSA-N 1 0 295.402 2.271 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H]2CCOC)c1 ZINC000291191184 521148491 /nfs/dbraw/zinc/14/84/91/521148491.db2.gz GQQTWEITILEACM-CQSZACIVSA-N 1 0 295.379 2.028 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](OC)C2CC2)c1 ZINC000293196510 521150213 /nfs/dbraw/zinc/15/02/13/521150213.db2.gz XKOASRBXMZAMJE-HNNXBMFYSA-N 1 0 265.353 2.306 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2cnn(CC)c2)c1O ZINC000265380962 521369141 /nfs/dbraw/zinc/36/91/41/521369141.db2.gz CLUCIRPBJPTAFJ-UHFFFAOYSA-N 1 0 275.352 2.297 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)Cn2ccnc2)c1O ZINC000037157867 521371679 /nfs/dbraw/zinc/37/16/79/521371679.db2.gz XFHGQOMYLOJQBN-LBPRGKRZSA-N 1 0 275.352 2.166 20 10 CECDRO COc1c(O)c(C[N@@H+]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278281692 521870958 /nfs/dbraw/zinc/87/09/58/521870958.db2.gz TURMDSGFULAOSI-VIFPVBQESA-N 1 0 266.297 2.293 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000125489200 521877733 /nfs/dbraw/zinc/87/77/33/521877733.db2.gz FPNCWNYEDWOWPG-CQSZACIVSA-N 1 0 279.403 2.275 20 10 CECDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000267285083 522100772 /nfs/dbraw/zinc/10/07/72/522100772.db2.gz ARKAWQZTMHRCTE-KBPBESRZSA-N 1 0 291.395 2.064 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCCOC[C@H]2CCCO2)cc1 ZINC000020146502 522205638 /nfs/dbraw/zinc/20/56/38/522205638.db2.gz RUHQBSXNWZYZGW-QGZVFWFLSA-N 1 0 292.423 2.428 20 10 CECDRO CC[C@H]([NH2+][C@H](CCO)COC)c1ccc(C)cc1O ZINC000280018454 522744637 /nfs/dbraw/zinc/74/46/37/522744637.db2.gz HECPOCHVENVTDQ-OCCSQVGLSA-N 1 0 267.369 2.139 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000278757346 522751113 /nfs/dbraw/zinc/75/11/13/522751113.db2.gz WZOCXDAUIKYBJL-JKSUJKDBSA-N 1 0 278.396 2.036 20 10 CECDRO COCCOCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037237441 523997644 /nfs/dbraw/zinc/99/76/44/523997644.db2.gz VWSIUHVPGAKZLP-CQSZACIVSA-N 1 0 280.412 2.456 20 10 CECDRO Cc1cc(C(=O)N[C@@H](C)C[NH3+])c(C)n1-c1cccc(C)c1 ZINC000262544255 524118747 /nfs/dbraw/zinc/11/87/47/524118747.db2.gz UIFWWEKEQLYHMA-LBPRGKRZSA-N 1 0 285.391 2.480 20 10 CECDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1O ZINC000290414343 524378614 /nfs/dbraw/zinc/37/86/14/524378614.db2.gz KFYQRUKATXVDGR-DZGCQCFKSA-N 1 0 262.397 2.473 20 10 CECDRO Cc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000060942084 524582827 /nfs/dbraw/zinc/58/28/27/524582827.db2.gz TWHDXWHGDIFQOV-UHFFFAOYSA-N 1 0 272.304 2.114 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c1 ZINC000276968528 524747746 /nfs/dbraw/zinc/74/77/46/524747746.db2.gz CPYZROLLUUATIQ-UHFFFAOYSA-N 1 0 286.331 2.060 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cn2ccnc2)c1 ZINC000037157735 524775089 /nfs/dbraw/zinc/77/50/89/524775089.db2.gz IKGIKPQDVNQYCH-NEPJUHHUSA-N 1 0 275.352 2.337 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)cc1C ZINC000277442675 525319844 /nfs/dbraw/zinc/31/98/44/525319844.db2.gz KEOYKJGADDLXAU-JEOXALJRSA-N 1 0 281.421 2.209 20 10 CECDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000127310885 525591458 /nfs/dbraw/zinc/59/14/58/525591458.db2.gz QAMOOMGIVXKVOX-GZMMTYOYSA-N 1 0 286.169 2.422 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c(O)c1C ZINC000273555412 525926385 /nfs/dbraw/zinc/92/63/85/525926385.db2.gz GUCYPLAFKLUZET-WFASDCNBSA-N 1 0 289.379 2.127 20 10 CECDRO COc1cccc(C[NH2+]CC2(OC)CCCC2)c1O ZINC000289461878 526012998 /nfs/dbraw/zinc/01/29/98/526012998.db2.gz OLQLLKIFQQAKTA-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1cccc(C[NH2+]C[C@@]2(O)CCCC2(C)C)c1O ZINC000292908970 526020729 /nfs/dbraw/zinc/02/07/29/526020729.db2.gz HFWUCIPNLNMQLK-INIZCTEOSA-N 1 0 279.380 2.432 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H](O)c2ccc(C)o2)c1O ZINC000265971689 526021287 /nfs/dbraw/zinc/02/12/87/526021287.db2.gz KZSXTAUFZFMORX-GFCCVEGCSA-N 1 0 277.320 2.125 20 10 CECDRO COc1cccc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000042880173 526022240 /nfs/dbraw/zinc/02/22/40/526022240.db2.gz GVVHLXZXSXQGHI-UHFFFAOYSA-N 1 0 287.315 2.419 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000374271475 526346611 /nfs/dbraw/zinc/34/66/11/526346611.db2.gz ODQYZDXCZLCAEU-ZFWWWQNUSA-N 1 0 297.782 2.473 20 10 CECDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccccc1O ZINC000280048286 527331608 /nfs/dbraw/zinc/33/16/08/527331608.db2.gz JIYMEQONXUHOMT-CYBMUJFWSA-N 1 0 257.337 2.293 20 10 CECDRO COc1cccc(C[NH2+]C[C@H](OC)C(F)(F)F)c1O ZINC000733330136 574665092 /nfs/dbraw/zinc/66/50/92/574665092.db2.gz OWXPYIMHOJIPBL-JTQLQIEISA-N 1 0 279.258 2.068 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](C)C(C)(C)O)ccc1OC ZINC000734841396 574731227 /nfs/dbraw/zinc/73/12/27/574731227.db2.gz NMNLPQBFGILVDT-LBPRGKRZSA-N 1 0 281.396 2.481 20 10 CECDRO COC[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000739874809 574935248 /nfs/dbraw/zinc/93/52/48/574935248.db2.gz XLHLOICULGZOPY-LBPRGKRZSA-N 1 0 261.365 2.349 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCSC2)c1 ZINC000742382536 575018935 /nfs/dbraw/zinc/01/89/35/575018935.db2.gz CNHXITPAOBBDFM-NSHDSACASA-N 1 0 253.367 2.386 20 10 CECDRO CCOc1cccc(C[NH2+]CCN2CC[C@@H](C)C2)c1O ZINC000744450345 575121629 /nfs/dbraw/zinc/12/16/29/575121629.db2.gz RYFWBMCPJDUIHJ-CYBMUJFWSA-N 1 0 278.396 2.222 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCC[C@H](OC)C2)c1O ZINC000746755678 575163880 /nfs/dbraw/zinc/16/38/80/575163880.db2.gz REMPLMHPTKGMGU-STQMWFEESA-N 1 0 265.353 2.448 20 10 CECDRO C[NH+](C)CC1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000750539757 575268943 /nfs/dbraw/zinc/26/89/43/575268943.db2.gz UEAIONXLBUJSTO-UHFFFAOYSA-N 1 0 282.409 2.304 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCNc2ncccn2)cc1C ZINC000751505482 575290683 /nfs/dbraw/zinc/29/06/83/575290683.db2.gz GMHREEBUQXQYMH-UHFFFAOYSA-N 1 0 286.379 2.391 20 10 CECDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000125469604 649918516 /nfs/dbraw/zinc/91/85/16/649918516.db2.gz KVECOXRJMLBEIF-XYZCENFISA-N 1 0 275.801 2.292 20 10 CECDRO COc1ccc(C[NH2+]CCc2ccccn2)c(O)c1OC ZINC000892422983 625351930 /nfs/dbraw/zinc/35/19/30/625351930.db2.gz LOPPEGNCEUAVGR-UHFFFAOYSA-N 1 0 288.347 2.137 20 10 CECDRO CC(C)[NH+]1CCC(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000177077730 625525920 /nfs/dbraw/zinc/52/59/20/625525920.db2.gz ISQFPNMSCRNNTH-UHFFFAOYSA-N 1 0 290.407 2.471 20 10 CECDRO C[C@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2O)CC[N@@H+]1C ZINC000890759233 622930062 /nfs/dbraw/zinc/93/00/62/622930062.db2.gz HUFACGYFRZNOQJ-QWRGUYRKSA-N 1 0 296.798 2.392 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)OCCO)c2c1c(F)ccc2O ZINC000806664426 622969230 /nfs/dbraw/zinc/96/92/30/622969230.db2.gz PZZWUMKNMZRMRQ-PWSUYJOCSA-N 1 0 297.370 2.457 20 10 CECDRO Cc1ccc(C(=O)N(C)CC(C)(C)C[NH+](C)C)c(O)c1O ZINC000890882115 623038978 /nfs/dbraw/zinc/03/89/78/623038978.db2.gz GFXYDVNSQZFFPG-UHFFFAOYSA-N 1 0 294.395 2.066 20 10 CECDRO COC[C@H]1CCC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000160357982 623248198 /nfs/dbraw/zinc/24/81/98/623248198.db2.gz OCNGPFCOUOJMOA-CYBMUJFWSA-N 1 0 265.353 2.320 20 10 CECDRO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000049948961 623272308 /nfs/dbraw/zinc/27/23/08/623272308.db2.gz TYDFCUXKKHEICF-IRXDYDNUSA-N 1 0 290.407 2.180 20 10 CECDRO C/C=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247710 623324989 /nfs/dbraw/zinc/32/49/89/623324989.db2.gz UMGMOJLKGICFPP-LFAOLKIESA-N 1 0 275.396 2.048 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2OC)c1O ZINC000050369687 623402739 /nfs/dbraw/zinc/40/27/39/623402739.db2.gz ROSLTTUYMXXLFQ-VXGBXAGGSA-N 1 0 251.326 2.058 20 10 CECDRO CC(C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891402552 623596524 /nfs/dbraw/zinc/59/65/24/623596524.db2.gz ZZCMBZVGHQHLON-OAHLLOKOSA-N 1 0 292.427 2.063 20 10 CECDRO COC[C@H]([NH2+]Cc1cc(OC)ccc1O)C(C)C ZINC000086682635 623941764 /nfs/dbraw/zinc/94/17/64/623941764.db2.gz POHDSBCCBHGHTN-ZDUSSCGKSA-N 1 0 253.342 2.161 20 10 CECDRO COc1ccc(C[N@@H+]2CCC2(C)C)c(O)c1OC ZINC000892057091 624281664 /nfs/dbraw/zinc/28/16/64/624281664.db2.gz DDDXXOWYQZDDSC-UHFFFAOYSA-N 1 0 251.326 2.394 20 10 CECDRO COc1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)c(O)c1OC ZINC000892178619 624382340 /nfs/dbraw/zinc/38/23/40/624382340.db2.gz GQEJBEKDYHCAGO-ZDUSSCGKSA-N 1 0 297.395 2.248 20 10 CECDRO COc1cccc(C[NH2+]Cc2cccc(C)n2)c1O ZINC000051574112 624450665 /nfs/dbraw/zinc/45/06/65/624450665.db2.gz ZBDHOIYVDHUTFQ-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO O=C(C[C@H]1CCC[NH2+]1)NCc1ccc(N2CCCC2)cc1 ZINC000178711102 624725892 /nfs/dbraw/zinc/72/58/92/624725892.db2.gz UOVRIRVFOBYDJQ-OAHLLOKOSA-N 1 0 287.407 2.045 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC000153888292 625734209 /nfs/dbraw/zinc/73/42/09/625734209.db2.gz GGQUBBRPXNATEG-LLVKDONJSA-N 1 0 292.379 2.062 20 10 CECDRO CC[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[NH+](C)C ZINC000177850658 625904129 /nfs/dbraw/zinc/90/41/29/625904129.db2.gz NSUGFRBONSXIOD-MRXNPFEDSA-N 1 0 289.423 2.243 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CO)CC2)cc1 ZINC000293232100 627398131 /nfs/dbraw/zinc/39/81/31/627398131.db2.gz SGZVKCPUOIPCTI-HNNXBMFYSA-N 1 0 262.397 2.347 20 10 CECDRO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccccc1O ZINC000167468066 627663976 /nfs/dbraw/zinc/66/39/76/627663976.db2.gz XWMUIRKUVDQASR-PSVSLLHZSA-N 1 0 255.383 2.200 20 10 CECDRO CC[C@@H](CCO)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000168794334 627686592 /nfs/dbraw/zinc/68/65/92/627686592.db2.gz OWHDWTFQVZGVMS-MNOVXSKESA-N 1 0 253.342 2.212 20 10 CECDRO CC[C@H](CCO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000169089369 627693142 /nfs/dbraw/zinc/69/31/42/627693142.db2.gz NISMZYSQBSQPFL-LLVKDONJSA-N 1 0 273.760 2.305 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@H]1CCCO1 ZINC000893256419 628191498 /nfs/dbraw/zinc/19/14/98/628191498.db2.gz RQWIINUSCNZLHK-CHWSQXEVSA-N 1 0 295.379 2.457 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccc(F)nc2)c1 ZINC000189106575 628303908 /nfs/dbraw/zinc/30/39/08/628303908.db2.gz OHTPHEOZJZMULW-UHFFFAOYSA-N 1 0 262.284 2.225 20 10 CECDRO CC(=O)c1cc(F)cc(CN(C)C[C@H]2CCC[N@@H+]2C)c1O ZINC000092632641 628345236 /nfs/dbraw/zinc/34/52/36/628345236.db2.gz AVRLDMFSCDNYNR-CQSZACIVSA-N 1 0 294.370 2.260 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000092954120 628562322 /nfs/dbraw/zinc/56/23/22/628562322.db2.gz BKFQCUQWGSKQFQ-CJNGLKHVSA-N 1 0 289.423 2.099 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c(O)c1OC ZINC000893417120 628592689 /nfs/dbraw/zinc/59/26/89/628592689.db2.gz BXUKMIXLOXYDRK-RYUDHWBXSA-N 1 0 295.379 2.002 20 10 CECDRO COc1ccc(C[NH+]2CCC(C)(OC)CC2)c(O)c1OC ZINC000893426196 628599800 /nfs/dbraw/zinc/59/98/00/628599800.db2.gz DCFSQKOHSLLEOF-UHFFFAOYSA-N 1 0 295.379 2.410 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c(O)c1OC ZINC000893471017 628640172 /nfs/dbraw/zinc/64/01/72/628640172.db2.gz BMCMWAKXCITAHS-AAEUAGOBSA-N 1 0 295.379 2.314 20 10 CECDRO COc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c(O)c1OC ZINC000893521416 628673642 /nfs/dbraw/zinc/67/36/42/628673642.db2.gz NJTISQLLBCVIBI-BMIGLBTASA-N 1 0 281.352 2.067 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)[C@H]1C ZINC000840942215 628790767 /nfs/dbraw/zinc/79/07/67/628790767.db2.gz VPAOFGRSNZJORA-XJKSGUPXSA-N 1 0 290.407 2.444 20 10 CECDRO C[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000054076427 628846942 /nfs/dbraw/zinc/84/69/42/628846942.db2.gz ACEROKDOGAUOBV-AWEZNQCLSA-N 1 0 289.423 2.243 20 10 CECDRO CN1CCCc2cc(C[NH2+]CC3(C)COC3)ccc21 ZINC000094721795 628932396 /nfs/dbraw/zinc/93/23/96/628932396.db2.gz KIYHLYRSABRNAD-UHFFFAOYSA-N 1 0 260.381 2.195 20 10 CECDRO COc1cc(C)cc(CN2CCC([NH+](C)C)CC2)c1O ZINC000893953332 629063082 /nfs/dbraw/zinc/06/30/82/629063082.db2.gz CPCFLTTYPJYMMU-UHFFFAOYSA-N 1 0 278.396 2.235 20 10 CECDRO CCOc1cccc(CN2CC[C@@]3(CCC[NH2+]3)C2)c1O ZINC000841105468 629158712 /nfs/dbraw/zinc/15/87/12/629158712.db2.gz PFSCEIKWVZMHBG-INIZCTEOSA-N 1 0 276.380 2.119 20 10 CECDRO COc1ccc(C[NH2+]Cc2nccn2C2CC2)c(O)c1 ZINC000894184576 629196462 /nfs/dbraw/zinc/19/64/62/629196462.db2.gz BZKJKONMOYOJCM-UHFFFAOYSA-N 1 0 273.336 2.222 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@@H](O)C(F)F ZINC000877561178 629197282 /nfs/dbraw/zinc/19/72/82/629197282.db2.gz IICOKYDCMGLCEL-ZYHUDNBSSA-N 1 0 259.296 2.195 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894195019 629200689 /nfs/dbraw/zinc/20/06/89/629200689.db2.gz TXLXDMPZNFKQSG-LBPRGKRZSA-N 1 0 294.395 2.104 20 10 CECDRO CN(Cc1cc(F)ccc1O)[C@@H]1CC(C)(C)OC1=O ZINC000814179793 629210584 /nfs/dbraw/zinc/21/05/84/629210584.db2.gz YTQRJAPZALYETI-LLVKDONJSA-N 1 0 267.300 2.057 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC[C@@H](C)OC)c1O ZINC000894214954 629231616 /nfs/dbraw/zinc/23/16/16/629231616.db2.gz LXNFVVNQMVENQR-LLVKDONJSA-N 1 0 253.342 2.224 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCCc2nc(C)no2)c1O ZINC000894245809 629252689 /nfs/dbraw/zinc/25/26/89/629252689.db2.gz DWEIJWKADCPYTN-UHFFFAOYSA-N 1 0 291.351 2.123 20 10 CECDRO CCC[C@](C)(CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894259557 629272188 /nfs/dbraw/zinc/27/21/88/629272188.db2.gz WTAUGJWTJQHJKR-OAHLLOKOSA-N 1 0 267.369 2.350 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1O ZINC000894303627 629323864 /nfs/dbraw/zinc/32/38/64/629323864.db2.gz FKWVXUUYWSQOMP-RYUDHWBXSA-N 1 0 265.353 2.224 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCCC3(C2)OCCO3)c1O ZINC000894425327 629454803 /nfs/dbraw/zinc/45/48/03/629454803.db2.gz UPOSBLRBKLOPDC-UHFFFAOYSA-N 1 0 293.363 2.048 20 10 CECDRO COc1ccc(C[NH2+]Cc2cccc(OC)c2O)nc1 ZINC000894458485 629472437 /nfs/dbraw/zinc/47/24/37/629472437.db2.gz SJMQRNQYSXCNPQ-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2CCO)c1O ZINC000894499184 629493869 /nfs/dbraw/zinc/49/38/69/629493869.db2.gz GDTHSWXDKZQKSE-CYBMUJFWSA-N 1 0 265.353 2.056 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCOC[C@H]2C)c1O ZINC000894564646 629535241 /nfs/dbraw/zinc/53/52/41/629535241.db2.gz BEDGESSEKGHQSA-DGCLKSJQSA-N 1 0 265.353 2.224 20 10 CECDRO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000925078543 629601969 /nfs/dbraw/zinc/60/19/69/629601969.db2.gz HXVMEIAEIHOPIE-HNNXBMFYSA-N 1 0 278.396 2.302 20 10 CECDRO COC(=O)c1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000795910125 629707549 /nfs/dbraw/zinc/70/75/49/629707549.db2.gz DHQCTDBPVVKILM-UHFFFAOYSA-N 1 0 271.316 2.469 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c(O)c1OC ZINC000894945391 629760672 /nfs/dbraw/zinc/76/06/72/629760672.db2.gz XDCSBENNOMIHMI-WCQYABFASA-N 1 0 295.379 2.050 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c(O)c1OC ZINC000894945390 629761209 /nfs/dbraw/zinc/76/12/09/629761209.db2.gz XDCSBENNOMIHMI-DGCLKSJQSA-N 1 0 295.379 2.050 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1O ZINC000895261590 630067387 /nfs/dbraw/zinc/06/73/87/630067387.db2.gz VTOYPENVGKRVCG-KRWDZBQOSA-N 1 0 291.391 2.446 20 10 CECDRO C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cc(F)ccc3O)O2)CO1 ZINC000895820277 630361795 /nfs/dbraw/zinc/36/17/95/630361795.db2.gz NEAQFVLZAMEJAV-WPGHFRTFSA-N 1 0 295.354 2.348 20 10 CECDRO Cc1nc([C@@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)no1 ZINC000896241064 630509520 /nfs/dbraw/zinc/50/95/20/630509520.db2.gz ULRWQOZIQHYFCC-GFCCVEGCSA-N 1 0 273.336 2.382 20 10 CECDRO C[C@@H](O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000798195251 630835085 /nfs/dbraw/zinc/83/50/85/630835085.db2.gz DMIRFVZAVIGFBK-HIFRSBDPSA-N 1 0 279.380 2.144 20 10 CECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000896962944 630846709 /nfs/dbraw/zinc/84/67/09/630846709.db2.gz UHBKIDBVLHRNCD-GFCCVEGCSA-N 1 0 293.363 2.176 20 10 CECDRO COCC1(O)CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824829895 635506120 /nfs/dbraw/zinc/50/61/20/635506120.db2.gz MTSSTCROJZPCBS-UHFFFAOYSA-N 1 0 299.798 2.327 20 10 CECDRO CC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H](C)O ZINC000824922252 635526105 /nfs/dbraw/zinc/52/61/05/635526105.db2.gz YPRDBVRBXJORLU-CXAGYDPISA-N 1 0 292.423 2.413 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000825091318 635564966 /nfs/dbraw/zinc/56/49/66/635564966.db2.gz YCKDWEKJUFHGHV-LBPRGKRZSA-N 1 0 279.380 2.384 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808714022 631143664 /nfs/dbraw/zinc/14/36/64/631143664.db2.gz LMJDUDYRHSLLJD-SNVBAGLBSA-N 1 0 284.787 2.483 20 10 CECDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCCNC1=O ZINC000801595532 631296386 /nfs/dbraw/zinc/29/63/86/631296386.db2.gz FIQNABFBEDVAGM-AWEZNQCLSA-N 1 0 276.380 2.273 20 10 CECDRO C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)ccc1O ZINC000863545893 631569315 /nfs/dbraw/zinc/56/93/15/631569315.db2.gz BACDUMUIQHAEEX-VDDIYKPWSA-N 1 0 254.761 2.447 20 10 CECDRO Cc1nnc(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000897520940 631616024 /nfs/dbraw/zinc/61/60/24/631616024.db2.gz AZMHVQQDNXCDTP-CQSZACIVSA-N 1 0 289.383 2.159 20 10 CECDRO C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000843127580 631749984 /nfs/dbraw/zinc/74/99/84/631749984.db2.gz DZBQPCRNYCRSFR-YUMQZZPRSA-N 1 0 260.740 2.400 20 10 CECDRO CC[C@H]([NH2+]CCS(=O)(=O)CC)c1ccc(N(C)C)cc1 ZINC000163507170 631822854 /nfs/dbraw/zinc/82/28/54/631822854.db2.gz GQLMVEFYWYPJDJ-HNNXBMFYSA-N 1 0 298.452 2.228 20 10 CECDRO CC[N@H+](CCC(=O)NC)Cc1cc(Cl)c(C)cc1O ZINC000897709343 631880100 /nfs/dbraw/zinc/88/01/00/631880100.db2.gz NKYQEBSWUAGYBN-UHFFFAOYSA-N 1 0 284.787 2.312 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897823243 631932471 /nfs/dbraw/zinc/93/24/71/631932471.db2.gz VNTXFVLVIISEDJ-QXJJFIIZSA-N 1 0 265.740 2.311 20 10 CECDRO CCCOc1ccc(C[NH2+][C@]2(C)CCNC2=O)cc1C ZINC000897867522 631951655 /nfs/dbraw/zinc/95/16/55/631951655.db2.gz VRXUCPZAEYGQOO-MRXNPFEDSA-N 1 0 276.380 2.152 20 10 CECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841036484 631961624 /nfs/dbraw/zinc/96/16/24/631961624.db2.gz OXSZYXKHBBPLOY-SECBINFHSA-N 1 0 272.751 2.274 20 10 CECDRO CCOc1ccc(C[NH2+]CC2=CCCOC2)c(O)c1 ZINC000808429453 631961700 /nfs/dbraw/zinc/96/17/00/631961700.db2.gz CSJTXFIBLINYDJ-UHFFFAOYSA-N 1 0 263.337 2.227 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC[C@H](O)C2CC2)cc1F ZINC000898202643 632083326 /nfs/dbraw/zinc/08/33/26/632083326.db2.gz KJDHVRYCNTVPGP-HNNXBMFYSA-N 1 0 266.360 2.142 20 10 CECDRO O[C@@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000898195442 632109378 /nfs/dbraw/zinc/10/93/78/632109378.db2.gz WUINJFPXNDIROI-HNNXBMFYSA-N 1 0 261.365 2.262 20 10 CECDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCCOC2)cc1OC ZINC000809692704 632127674 /nfs/dbraw/zinc/12/76/74/632127674.db2.gz FCUXEPPGVOSWMI-GFCCVEGCSA-N 1 0 281.352 2.020 20 10 CECDRO Cc1cccc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1O ZINC000809738419 632135682 /nfs/dbraw/zinc/13/56/82/632135682.db2.gz XDFDBBKORZZTJE-INIZCTEOSA-N 1 0 292.423 2.243 20 10 CECDRO CCOc1ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)c(O)c1 ZINC000809751944 632141151 /nfs/dbraw/zinc/14/11/51/632141151.db2.gz YVXBTWAHVIIEME-GFCCVEGCSA-N 1 0 293.285 2.146 20 10 CECDRO COc1cccc(O)c1CN(C)CC(C)(C)C[NH+](C)C ZINC000898310643 632167258 /nfs/dbraw/zinc/16/72/58/632167258.db2.gz YUTJHSIGPNFJRO-UHFFFAOYSA-N 1 0 280.412 2.420 20 10 CECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCC[NH3+] ZINC000040855900 632358333 /nfs/dbraw/zinc/35/83/33/632358333.db2.gz UAMZUEOPZIKFQG-UHFFFAOYSA-N 1 0 289.423 2.374 20 10 CECDRO CCO[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)CN(C)C ZINC000926962642 632390228 /nfs/dbraw/zinc/39/02/28/632390228.db2.gz RKLABNPWMXQYBD-KBPBESRZSA-N 1 0 280.412 2.318 20 10 CECDRO C[C@@H]1OCC[C@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449281 632499285 /nfs/dbraw/zinc/49/92/85/632499285.db2.gz AJLIOLUBVPQVER-IAOVAPTHSA-N 1 0 291.439 2.122 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](O)C2(C)C)c1O ZINC000812779159 632575919 /nfs/dbraw/zinc/57/59/19/632575919.db2.gz XGPZIYCLLAQASH-CYBMUJFWSA-N 1 0 265.353 2.136 20 10 CECDRO C[NH+](C)[C@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C12CCC2 ZINC000898841625 632618942 /nfs/dbraw/zinc/61/89/42/632618942.db2.gz XUPXRUJIHZCYDT-RYUDHWBXSA-N 1 0 280.393 2.056 20 10 CECDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C12CCC2 ZINC000898841627 632619119 /nfs/dbraw/zinc/61/91/19/632619119.db2.gz XUPXRUJIHZCYDT-VXGBXAGGSA-N 1 0 280.393 2.056 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]C2COCCOC2)c2c1c(F)ccc2O ZINC000813879004 632751675 /nfs/dbraw/zinc/75/16/75/632751675.db2.gz IFVXTIBXSOJOOD-JOYOIKCWSA-N 1 0 281.327 2.085 20 10 CECDRO Cc1cc(C[NH2+][C@@H](CCO)C2CC2)ccc1N(C)C ZINC000815090833 632957108 /nfs/dbraw/zinc/95/71/08/632957108.db2.gz PDHITGBPFHKADV-HNNXBMFYSA-N 1 0 262.397 2.312 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCCO1 ZINC000815104042 632960576 /nfs/dbraw/zinc/96/05/76/632960576.db2.gz XRPCEQSSJAAUCN-RDJZCZTQSA-N 1 0 292.423 2.345 20 10 CECDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC000815132787 632967695 /nfs/dbraw/zinc/96/76/95/632967695.db2.gz MBUUNDJUYZRCND-INIZCTEOSA-N 1 0 291.439 2.311 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000815160152 632974655 /nfs/dbraw/zinc/97/46/55/632974655.db2.gz REFUBIURYZWWTE-IAQYHMDHSA-N 1 0 265.353 2.042 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)[C@H]1n1cccn1 ZINC000815167182 632975367 /nfs/dbraw/zinc/97/53/67/632975367.db2.gz TVDIMSRGWZABCW-NUEKZKHPSA-N 1 0 287.363 2.097 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)[C@@H]1n1cccn1 ZINC000815167181 632975502 /nfs/dbraw/zinc/97/55/02/632975502.db2.gz TVDIMSRGWZABCW-IMJJTQAJSA-N 1 0 287.363 2.097 20 10 CECDRO C[N@@H+]1C[C@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])[C@@H]2C1 ZINC000816617215 633451278 /nfs/dbraw/zinc/45/12/78/633451278.db2.gz RCXMKXBJBWTQFZ-NOZJJQNGSA-N 1 0 284.762 2.321 20 10 CECDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000817280912 633617773 /nfs/dbraw/zinc/61/77/73/633617773.db2.gz FEWJYFDGQFSARK-HIFRSBDPSA-N 1 0 262.397 2.203 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)cc1 ZINC000817288468 633620328 /nfs/dbraw/zinc/62/03/28/633620328.db2.gz JJHJCLYEJBXXPM-CJNGLKHVSA-N 1 0 262.397 2.488 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1 ZINC000817411948 633651056 /nfs/dbraw/zinc/65/10/56/633651056.db2.gz AARFHKFFLAVWFC-CTYIDZIISA-N 1 0 289.423 2.134 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](NC(C)=O)C2)cc1 ZINC000817412805 633651726 /nfs/dbraw/zinc/65/17/26/633651726.db2.gz PNSHGFLJEANYGH-INIZCTEOSA-N 1 0 289.423 2.243 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1 ZINC000817412920 633652043 /nfs/dbraw/zinc/65/20/43/633652043.db2.gz QZCRPWYOCPIYDS-CHWSQXEVSA-N 1 0 279.380 2.241 20 10 CECDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000817412775 633652506 /nfs/dbraw/zinc/65/25/06/633652506.db2.gz OVXPWOHEGSPWPM-GXTWGEPZSA-N 1 0 280.387 2.342 20 10 CECDRO CCOc1ccc(O)c(CN2CCC3(CC[NH2+]3)CC2)c1 ZINC000817865104 633746529 /nfs/dbraw/zinc/74/65/29/633746529.db2.gz HBIJZNHZPIBODO-UHFFFAOYSA-N 1 0 276.380 2.119 20 10 CECDRO [NH3+][C@H]1CCC[C@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000817887739 633751751 /nfs/dbraw/zinc/75/17/51/633751751.db2.gz DIRASLLKDDEQEU-JKSUJKDBSA-N 1 0 291.464 2.209 20 10 CECDRO C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817955004 633798397 /nfs/dbraw/zinc/79/83/97/633798397.db2.gz OFRHNLUFYNEXMY-MNOVXSKESA-N 1 0 252.333 2.182 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CN1C1CC1 ZINC000817955933 633799337 /nfs/dbraw/zinc/79/93/37/633799337.db2.gz LTIUMFAXFLNWCA-DOMZBBRYSA-N 1 0 259.397 2.026 20 10 CECDRO CC[C@@H](NC1C[NH2+]C1)c1cc(Br)ccc1O ZINC000817956182 633799364 /nfs/dbraw/zinc/79/93/64/633799364.db2.gz SSDCPZQZZHAIOO-LLVKDONJSA-N 1 0 285.185 2.167 20 10 CECDRO C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817968523 633811109 /nfs/dbraw/zinc/81/11/09/633811109.db2.gz KVEMXCHRSMCQLY-WDEREUQCSA-N 1 0 279.340 2.093 20 10 CECDRO C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817973283 633817535 /nfs/dbraw/zinc/81/75/35/633817535.db2.gz SJJDJLWSRVZRRS-YUMQZZPRSA-N 1 0 262.275 2.409 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)c2c1c(F)ccc2O ZINC000817977067 633820172 /nfs/dbraw/zinc/82/01/72/633820172.db2.gz ZXVCZBRIISPTSD-QFOLPQNPSA-N 1 0 282.334 2.369 20 10 CECDRO COc1ccc(O)c([C@H](C)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000817979964 633822795 /nfs/dbraw/zinc/82/27/95/633822795.db2.gz GSUGXHNLEAUTAX-ZANVPECISA-N 1 0 286.322 2.049 20 10 CECDRO Cc1ccc(O)c([C@H](C)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000817981369 633825279 /nfs/dbraw/zinc/82/52/79/633825279.db2.gz RPTGRJQQUFUTSJ-GXFFZTMASA-N 1 0 270.323 2.348 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccc2ccccc2c1O ZINC000817983947 633826126 /nfs/dbraw/zinc/82/61/26/633826126.db2.gz SFDIYOHILYMPNX-JSGCOSHPSA-N 1 0 286.375 2.184 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(F)cc(F)c1[O-] ZINC000817982705 633827547 /nfs/dbraw/zinc/82/75/47/633827547.db2.gz VOVRPENVPIYNIG-IQJOONFLSA-N 1 0 270.323 2.448 20 10 CECDRO Nc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000818556235 633944359 /nfs/dbraw/zinc/94/43/59/633944359.db2.gz DBADMESEWTZSKJ-UHFFFAOYSA-N 1 0 259.353 2.082 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1[O-] ZINC000818615477 633960442 /nfs/dbraw/zinc/96/04/42/633960442.db2.gz PWRYGOVGPNBTNL-ZWKOPEQDSA-N 1 0 252.333 2.452 20 10 CECDRO CCCCOC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818942301 634011764 /nfs/dbraw/zinc/01/17/64/634011764.db2.gz YCLHMCOQCBVDIR-MRXNPFEDSA-N 1 0 280.412 2.020 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CSC)cc1 ZINC000818965036 634019044 /nfs/dbraw/zinc/01/90/44/634019044.db2.gz ODNDLIYPANDELL-OAHLLOKOSA-N 1 0 282.453 2.346 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000819077888 634062172 /nfs/dbraw/zinc/06/21/72/634062172.db2.gz QFKANSAIBXIUHT-ZDUSSCGKSA-N 1 0 290.329 2.464 20 10 CECDRO CCCOc1ccccc1NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000819399255 634169623 /nfs/dbraw/zinc/16/96/23/634169623.db2.gz SEHSQTSQTUUAAQ-CQSZACIVSA-N 1 0 278.396 2.342 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+]C3CC(OC)C3)C2)cc1 ZINC000822494031 634930762 /nfs/dbraw/zinc/93/07/62/634930762.db2.gz DTNFZMZOEVGQDB-TUBUQKNSSA-N 1 0 290.407 2.289 20 10 CECDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000903300321 635047539 /nfs/dbraw/zinc/04/75/39/635047539.db2.gz YBPCOAWREFFIPX-NWANDNLSSA-N 1 0 279.380 2.464 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000823663888 635246584 /nfs/dbraw/zinc/24/65/84/635246584.db2.gz RLCYDGWMOKCEPN-UONOGXRCSA-N 1 0 291.439 2.058 20 10 CECDRO COc1ccc(CNC[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000903954834 635389242 /nfs/dbraw/zinc/38/92/42/635389242.db2.gz GWGGSZGYBVUNRI-ZDUSSCGKSA-N 1 0 284.350 2.338 20 10 CECDRO CCOc1ccc(C[N@H+](C(C)C)C2COC2)c(O)c1 ZINC000824472836 635433810 /nfs/dbraw/zinc/43/38/10/635433810.db2.gz ZKGBZIHKBAHRSH-UHFFFAOYSA-N 1 0 265.353 2.400 20 10 CECDRO CC[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000824533262 635444884 /nfs/dbraw/zinc/44/48/84/635444884.db2.gz CJUHTTYBNWHVIU-SNVBAGLBSA-N 1 0 261.724 2.387 20 10 CECDRO OC[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824617522 635463045 /nfs/dbraw/zinc/46/30/45/635463045.db2.gz IEVFBVPHBZVHNY-NSHDSACASA-N 1 0 286.169 2.111 20 10 CECDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000825040854 635545989 /nfs/dbraw/zinc/54/59/89/635545989.db2.gz VWKXXFHAZKOAMS-KGLIPLIRSA-N 1 0 293.363 2.222 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@H](OC)C2CC2)cc1OC ZINC000825099086 635567562 /nfs/dbraw/zinc/56/75/62/635567562.db2.gz UKZKLCOWMGNQOW-QFYYESIMSA-N 1 0 295.379 2.313 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2CO)c1 ZINC000825183874 635586953 /nfs/dbraw/zinc/58/69/53/635586953.db2.gz RPLKHTTZCDKEHV-BXUZGUMPSA-N 1 0 265.353 2.042 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1 ZINC000825278925 635605684 /nfs/dbraw/zinc/60/56/84/635605684.db2.gz LHORKVKXGOUPHE-LSDHHAIUSA-N 1 0 289.423 2.276 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCC[S@](C)=O)cc1Cl ZINC000825298365 635607823 /nfs/dbraw/zinc/60/78/23/635607823.db2.gz ZDUZUVZMYLSNKH-KRWDZBQOSA-N 1 0 275.801 2.212 20 10 CECDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cc3c(cc2O)OCO3)C1 ZINC000825331789 635618200 /nfs/dbraw/zinc/61/82/00/635618200.db2.gz NGYIBOXRNQDVJO-CYBMUJFWSA-N 1 0 292.379 2.035 20 10 CECDRO CC[NH+]1CCC(N(C)C(=O)C2=CC(=O)CS2)CC1 ZINC000825537375 635656731 /nfs/dbraw/zinc/65/67/31/635656731.db2.gz XJNGZRSWJRBFNO-UHFFFAOYSA-N 1 0 268.382 2.010 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1Cl ZINC000826100803 635761764 /nfs/dbraw/zinc/76/17/64/635761764.db2.gz UCYJHSKSFKVZBP-GXSJLCMTSA-N 1 0 282.771 2.098 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2cnccc2C)c1 ZINC000826927029 635882848 /nfs/dbraw/zinc/88/28/48/635882848.db2.gz WDRNASJHAKLQRH-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827134024 636230016 /nfs/dbraw/zinc/23/00/16/636230016.db2.gz ZRPPCKDBSYRAAW-ZFWWWQNUSA-N 1 0 288.391 2.055 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2COCCO2)cc1Cl ZINC000827139805 636233920 /nfs/dbraw/zinc/23/39/20/636233920.db2.gz FMDPJSWQOQLBDN-GFCCVEGCSA-N 1 0 285.771 2.201 20 10 CECDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000827501161 636338279 /nfs/dbraw/zinc/33/82/79/636338279.db2.gz SNVCFMRSVIBVFS-DKTWLAJQSA-N 1 0 269.728 2.087 20 10 CECDRO C[C@H](O)C1([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000827585633 636359390 /nfs/dbraw/zinc/35/93/90/636359390.db2.gz NCYUMFFWBNFDQZ-QMMMGPOBSA-N 1 0 286.169 2.158 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1F ZINC000827595203 636361942 /nfs/dbraw/zinc/36/19/42/636361942.db2.gz MNYKOBYUYFKGCP-KGLIPLIRSA-N 1 0 278.371 2.360 20 10 CECDRO CCCC[N@H+](CC[S@](C)=O)Cc1ccccc1O ZINC000829515752 636872542 /nfs/dbraw/zinc/87/25/42/636872542.db2.gz GEMKMTYGBQITDC-SFHVURJKSA-N 1 0 269.410 2.373 20 10 CECDRO CCN(CC)C(=O)C[N@H+](C)Cc1c(C)cccc1O ZINC000876511372 650297125 /nfs/dbraw/zinc/29/71/25/650297125.db2.gz GSWDHSFAYWLICM-UHFFFAOYSA-N 1 0 264.369 2.001 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000831001622 637214935 /nfs/dbraw/zinc/21/49/35/637214935.db2.gz WJCJHBUYWAEMTK-CABCVRRESA-N 1 0 290.407 2.492 20 10 CECDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000831202540 637253414 /nfs/dbraw/zinc/25/34/14/637253414.db2.gz IINUZQORUVJPHZ-OLZOCXBDSA-N 1 0 292.427 2.020 20 10 CECDRO CC[N@H+](CCOC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876567874 650334563 /nfs/dbraw/zinc/33/45/63/650334563.db2.gz AARTVLZUWQXAOJ-UHFFFAOYSA-N 1 0 292.423 2.116 20 10 CECDRO CC(C)[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272297 637529887 /nfs/dbraw/zinc/52/98/87/637529887.db2.gz DUZCMNIMNRMUPT-WFASDCNBSA-N 1 0 277.412 2.161 20 10 CECDRO CC[N@H+](Cc1cnn(C)c1)Cc1c(C)cccc1O ZINC000876634746 650369021 /nfs/dbraw/zinc/36/90/21/650369021.db2.gz AUCLUGMIDBOVLY-UHFFFAOYSA-N 1 0 259.353 2.456 20 10 CECDRO C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834544576 637859814 /nfs/dbraw/zinc/85/98/14/637859814.db2.gz NWKGLKLCVFEBCF-BXUZGUMPSA-N 1 0 269.348 2.390 20 10 CECDRO CC(=O)N1CCC(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834570407 637872056 /nfs/dbraw/zinc/87/20/56/637872056.db2.gz GRISXXIFLJNKOF-OAHLLOKOSA-N 1 0 288.391 2.228 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)C[C@@]1(OC)CCOC1 ZINC000876654765 650378739 /nfs/dbraw/zinc/37/87/39/650378739.db2.gz OTGMZTOGULIZSF-INIZCTEOSA-N 1 0 279.380 2.410 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000834880660 637976850 /nfs/dbraw/zinc/97/68/50/637976850.db2.gz ASQCXFWDNHIMPA-SLEUVZQESA-N 1 0 265.353 2.094 20 10 CECDRO COCC(COC)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834894087 637979864 /nfs/dbraw/zinc/97/98/64/637979864.db2.gz YYJMFGCWXPDMHJ-SKDRFNHKSA-N 1 0 283.343 2.331 20 10 CECDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000834898691 637981325 /nfs/dbraw/zinc/98/13/25/637981325.db2.gz BLSXIJLGJQVTKA-NWDGAFQWSA-N 1 0 290.407 2.446 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)CC(=O)NC)cc1 ZINC000834898760 637981654 /nfs/dbraw/zinc/98/16/54/637981654.db2.gz GNFAGTNTIRQGMT-OLZOCXBDSA-N 1 0 277.412 2.318 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c(O)c1 ZINC000834906844 637983947 /nfs/dbraw/zinc/98/39/47/637983947.db2.gz HUBFCSXDGVRVTF-FRRDWIJNSA-N 1 0 276.380 2.314 20 10 CECDRO C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCO1 ZINC000835026453 638029216 /nfs/dbraw/zinc/02/92/16/638029216.db2.gz WTWGLFMZMLWLHG-ISZGNANSSA-N 1 0 260.381 2.487 20 10 CECDRO C[C@@H]1COCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835024721 638029543 /nfs/dbraw/zinc/02/95/43/638029543.db2.gz BTYYSCKGGKRRBE-ISZGNANSSA-N 1 0 260.381 2.487 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000835025157 638029665 /nfs/dbraw/zinc/02/96/65/638029665.db2.gz GGMQKPSERGFSKN-OICCZTGUSA-N 1 0 260.381 2.223 20 10 CECDRO C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835026455 638029750 /nfs/dbraw/zinc/02/97/50/638029750.db2.gz WTWGLFMZMLWLHG-WSNITJDQSA-N 1 0 260.381 2.487 20 10 CECDRO C[C@H](Cn1cncn1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835035281 638033202 /nfs/dbraw/zinc/03/32/02/638033202.db2.gz FRCWDVVVRODNLU-ZRUQZJFASA-N 1 0 285.395 2.036 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cnn(C)c2)cc1 ZINC000835036029 638033221 /nfs/dbraw/zinc/03/32/21/638033221.db2.gz NPQPKMKBWWTFRX-PLNGDYQASA-N 1 0 270.380 2.289 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCCNC2=O)cc1 ZINC000835037807 638034389 /nfs/dbraw/zinc/03/43/89/638034389.db2.gz XRUASKLPXUCXOX-OGZRUICASA-N 1 0 287.407 2.024 20 10 CECDRO C[C@H](O)[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835045291 638036462 /nfs/dbraw/zinc/03/64/62/638036462.db2.gz UFIRHUZRJAUDFT-WIJLQKJISA-N 1 0 274.408 2.469 20 10 CECDRO C[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)[C@@H]1CO ZINC000835046024 638036776 /nfs/dbraw/zinc/03/67/76/638036776.db2.gz QIBGPDRSTPWOIH-AYUWKEHRSA-N 1 0 274.408 2.469 20 10 CECDRO C[C@H](C[S@@](C)=O)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835047792 638037013 /nfs/dbraw/zinc/03/70/13/638037013.db2.gz JSARNEGJSVJADO-SPDOTECHSA-N 1 0 280.437 2.122 20 10 CECDRO CO[C@]1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCOC1 ZINC000835047409 638037760 /nfs/dbraw/zinc/03/77/60/638037760.db2.gz STHSDGXBXUDTRU-CHYADLBTSA-N 1 0 290.407 2.161 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@@H](O)C2CC2)cc1 ZINC000835054243 638040661 /nfs/dbraw/zinc/04/06/61/638040661.db2.gz TXAXTHTWRGPTFW-LAQIPUCWSA-N 1 0 274.408 2.469 20 10 CECDRO Cc1cnc(CC[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000835061773 638044694 /nfs/dbraw/zinc/04/46/94/638044694.db2.gz NWJAQDAOOZXAHP-UHFFFAOYSA-N 1 0 277.755 2.476 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCC[C@H]2O)cc1 ZINC000835082780 638053839 /nfs/dbraw/zinc/05/38/39/638053839.db2.gz XPXXVZQHCKRRLH-KSLSASGISA-N 1 0 260.381 2.269 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c1 ZINC000835086000 638055975 /nfs/dbraw/zinc/05/59/75/638055975.db2.gz AROJBTZSVPZLIT-RISCZKNCSA-N 1 0 265.353 2.448 20 10 CECDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cccc1O)CC2 ZINC000876739246 650414502 /nfs/dbraw/zinc/41/45/02/650414502.db2.gz BTGBLZWRGKMILO-AWEZNQCLSA-N 1 0 289.375 2.476 20 10 CECDRO CC1(O)CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876747048 650416755 /nfs/dbraw/zinc/41/67/55/650416755.db2.gz TVBOTSYSJCGEDI-UHFFFAOYSA-N 1 0 257.280 2.017 20 10 CECDRO Cc1ccc2c(c1)CCN2C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876885143 650472757 /nfs/dbraw/zinc/47/27/57/650472757.db2.gz LDBPRXCLMBZYDF-HZRUHFOJSA-N 1 0 270.376 2.440 20 10 CECDRO Cc1ccc(O)c(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)c1 ZINC000913000313 639169726 /nfs/dbraw/zinc/16/97/26/639169726.db2.gz GRWVWDQOGMDXGN-LSDHHAIUSA-N 1 0 288.391 2.334 20 10 CECDRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000151421482 639297116 /nfs/dbraw/zinc/29/71/16/639297116.db2.gz CCKZNNJCKSZGOT-PBHICJAKSA-N 1 0 294.439 2.437 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCOCC2(C)C)c1O ZINC000164213263 639353923 /nfs/dbraw/zinc/35/39/23/639353923.db2.gz DZKSCRAXUAHDAJ-UHFFFAOYSA-N 1 0 265.353 2.320 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)C[C@H]2CCOC2)c1O ZINC000164460010 639377362 /nfs/dbraw/zinc/37/73/62/639377362.db2.gz WJDOVQPINLFFQF-GFCCVEGCSA-N 1 0 265.353 2.178 20 10 CECDRO OCCCCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000224953932 639469016 /nfs/dbraw/zinc/46/90/16/639469016.db2.gz RKERYQLTVIHFGM-UHFFFAOYSA-N 1 0 292.423 2.166 20 10 CECDRO CN(CC[NH2+]Cc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000226589198 639555004 /nfs/dbraw/zinc/55/50/04/639555004.db2.gz SAWZXCOCKBWJHR-UHFFFAOYSA-N 1 0 298.358 2.488 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H](C)CO)c(Cl)c1 ZINC000840898906 639576413 /nfs/dbraw/zinc/57/64/13/639576413.db2.gz HLAYALUWAKGMEO-NXEZZACHSA-N 1 0 257.761 2.461 20 10 CECDRO C[C@@](CO)([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000227212836 639577442 /nfs/dbraw/zinc/57/74/42/639577442.db2.gz HHJYSRVBVHFATJ-INIZCTEOSA-N 1 0 257.333 2.390 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCSC2)c(Cl)c1 ZINC000840902674 639578891 /nfs/dbraw/zinc/57/88/91/639578891.db2.gz SADOVVVEWREFLT-ZDUSSCGKSA-N 1 0 287.812 2.312 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CO[C@@H]1CCOC1 ZINC000840936801 639591080 /nfs/dbraw/zinc/59/10/80/639591080.db2.gz GOZKOPSYGHIFQM-WMLDXEAASA-N 1 0 292.423 2.345 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000840949010 639597714 /nfs/dbraw/zinc/59/77/14/639597714.db2.gz NWOKUHRIBFVDJP-INIZCTEOSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cnc(CC[NH2+]Cc2ccc(N(C)C)cc2C)cn1 ZINC000840953571 639598647 /nfs/dbraw/zinc/59/86/47/639598647.db2.gz VEKUMQNAPZZCOP-UHFFFAOYSA-N 1 0 284.407 2.492 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2ccn(CC)n2)c1O ZINC000840956472 639599789 /nfs/dbraw/zinc/59/97/89/639599789.db2.gz SDPIDVJLTXOPHB-UHFFFAOYSA-N 1 0 275.352 2.297 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1O ZINC000840958449 639600903 /nfs/dbraw/zinc/60/09/03/639600903.db2.gz RGLUDAVRGYMOIJ-LLVKDONJSA-N 1 0 296.798 2.264 20 10 CECDRO CCCC[C@@H](CN)[NH2+]Cc1cccc(OC)c1O ZINC000841028330 639621044 /nfs/dbraw/zinc/62/10/44/639621044.db2.gz BEKBTBWBRYTSBB-LBPRGKRZSA-N 1 0 252.358 2.008 20 10 CECDRO [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841028982 639621056 /nfs/dbraw/zinc/62/10/56/639621056.db2.gz DCDGIVANLNZUNY-GWCFXTLKSA-N 1 0 252.333 2.138 20 10 CECDRO Cc1cc(Br)cc(C[NH2+][C@@H](CN)C2CC2)c1O ZINC000841029125 639621668 /nfs/dbraw/zinc/62/16/68/639621668.db2.gz SXTOKBHZHHNKGZ-LBPRGKRZSA-N 1 0 299.212 2.290 20 10 CECDRO CCCC[C@H](CN)[NH2+]Cc1cc(OC)ccc1O ZINC000841030822 639622676 /nfs/dbraw/zinc/62/26/76/639622676.db2.gz ZVKPSUZCBLHHRQ-GFCCVEGCSA-N 1 0 252.358 2.008 20 10 CECDRO CC(C)C[C@H](C[NH3+])NCc1ccc(N(C)C)c(F)c1 ZINC000841038752 639628622 /nfs/dbraw/zinc/62/86/22/639628622.db2.gz PNESJSYHQFOPFD-CYBMUJFWSA-N 1 0 267.392 2.355 20 10 CECDRO COc1ccc(CN[C@H](C[NH3+])CC(C)C)cc1C ZINC000841037648 639628839 /nfs/dbraw/zinc/62/88/39/639628839.db2.gz BXUNBNFGLCRBRH-AWEZNQCLSA-N 1 0 250.386 2.467 20 10 CECDRO CN(C)c1ccc([C@@H](N)C[NH2+]C[C@H]2CCSC2)cc1 ZINC000841046258 639630694 /nfs/dbraw/zinc/63/06/94/639630694.db2.gz YQKPPYSBDZGIAR-DOMZBBRYSA-N 1 0 279.453 2.095 20 10 CECDRO COC[C@H](CC(C)C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045917 639630725 /nfs/dbraw/zinc/63/07/25/639630725.db2.gz SQQATQOLHWBISW-DOTOQJQBSA-N 1 0 293.455 2.403 20 10 CECDRO CCOCc1cc(CNC[C@H]([NH3+])CC)ccc1OC ZINC000841070140 639642736 /nfs/dbraw/zinc/64/27/36/639642736.db2.gz MBGXOFFYVCSUAA-CQSZACIVSA-N 1 0 266.385 2.059 20 10 CECDRO C[C@H](O)C[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000228562086 639644570 /nfs/dbraw/zinc/64/45/70/639644570.db2.gz TYRGURJMKIJYCI-IUCAKERBSA-N 1 0 288.185 2.404 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H](F)CN2)c1O ZINC000841080153 639648766 /nfs/dbraw/zinc/64/87/66/639648766.db2.gz UOXGEEPSZLFFNB-RYUDHWBXSA-N 1 0 272.751 2.144 20 10 CECDRO C[C@H]1[C@@H]([NH3+])CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000841086945 639651294 /nfs/dbraw/zinc/65/12/94/639651294.db2.gz FRILGONGRARDED-SCVPAZLYSA-N 1 0 259.397 2.187 20 10 CECDRO COc1ccc(CN[C@@H](C[NH3+])C(C)(C)C)cc1C ZINC000841087326 639651587 /nfs/dbraw/zinc/65/15/87/639651587.db2.gz JWJYECRKPUHHGQ-AWEZNQCLSA-N 1 0 250.386 2.467 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](CN)C2CCCC2)c1 ZINC000841087070 639651909 /nfs/dbraw/zinc/65/19/09/639651909.db2.gz MKBKNPLCTSHYMV-CQSZACIVSA-N 1 0 264.369 2.008 20 10 CECDRO CCN(CC)c1ccc(CNC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000841085597 639652189 /nfs/dbraw/zinc/65/21/89/639652189.db2.gz IEJHEUVOUPQPHV-KRWDZBQOSA-N 1 0 291.439 2.001 20 10 CECDRO CN(C)c1ccc(/C=C/CN[C@@H]2CCCC[NH2+]C2)cc1 ZINC000841091476 639654785 /nfs/dbraw/zinc/65/47/85/639654785.db2.gz YRPUPVYVEAZQMA-SQRWCISFSA-N 1 0 273.424 2.498 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1C[NH3+] ZINC000841101122 639656314 /nfs/dbraw/zinc/65/63/14/639656314.db2.gz OJLIOPZBTSCBJZ-JQWIXIFHSA-N 1 0 268.788 2.462 20 10 CECDRO CC(C)(O)C(C)(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000229041982 639672735 /nfs/dbraw/zinc/67/27/35/639672735.db2.gz KFMMYQFCIQHLLB-UHFFFAOYSA-N 1 0 292.423 2.162 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c1O ZINC000229104461 639676562 /nfs/dbraw/zinc/67/65/62/639676562.db2.gz INUYZXOVBXQHPS-JOYOIKCWSA-N 1 0 284.787 2.223 20 10 CECDRO CO[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000171130196 639701201 /nfs/dbraw/zinc/70/12/01/639701201.db2.gz GUXYOVFIBNEJFD-OAHLLOKOSA-N 1 0 261.365 2.492 20 10 CECDRO Nc1ccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000841298600 639731682 /nfs/dbraw/zinc/73/16/82/639731682.db2.gz RCRBKKOOKWUPRF-UHFFFAOYSA-N 1 0 288.395 2.407 20 10 CECDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000063191473 639837621 /nfs/dbraw/zinc/83/76/21/639837621.db2.gz SRSSVXUOTVFAAC-CZUORRHYSA-N 1 0 261.413 2.454 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@H](C)[NH3+])cc1 ZINC000841716955 639848062 /nfs/dbraw/zinc/84/80/62/639848062.db2.gz HKAHXGUVKAOTAE-QWHCGFSZSA-N 1 0 292.427 2.068 20 10 CECDRO CC(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877009897 650530459 /nfs/dbraw/zinc/53/04/59/650530459.db2.gz DUQCMZXYZNUXHB-UHFFFAOYSA-N 1 0 276.380 2.049 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NCC1([NH3+])CCC1 ZINC000841969036 639913451 /nfs/dbraw/zinc/91/34/51/639913451.db2.gz HUBFUVRLARWJPF-UHFFFAOYSA-N 1 0 291.395 2.195 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCC(=O)NC(C)(C)C ZINC000877025300 650536611 /nfs/dbraw/zinc/53/66/11/650536611.db2.gz GKMPRRBBTDEVQW-UHFFFAOYSA-N 1 0 264.369 2.095 20 10 CECDRO COCC1(CC[NH2+]Cc2c(O)cccc2OC)CC1 ZINC000842728151 640160584 /nfs/dbraw/zinc/16/05/84/640160584.db2.gz ATYGVFXDRQSGJB-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCc2ncn(C)n2)c(O)c1C ZINC000842905317 640217788 /nfs/dbraw/zinc/21/77/88/640217788.db2.gz XSEXHGGFRHEGAG-CYBMUJFWSA-N 1 0 288.395 2.421 20 10 CECDRO Cc1cc(Cl)cc(CN2CCC[C@@H]([NH3+])C2)c1O ZINC000843043792 640249945 /nfs/dbraw/zinc/24/99/45/640249945.db2.gz HKZRHGPHHRVCBJ-GFCCVEGCSA-N 1 0 254.761 2.277 20 10 CECDRO C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843045248 640249958 /nfs/dbraw/zinc/24/99/58/640249958.db2.gz SNGYTCRIZDQYJS-NSHDSACASA-N 1 0 268.788 2.477 20 10 CECDRO C[C@H](C[NH3+])N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000843051472 640255256 /nfs/dbraw/zinc/25/52/56/640255256.db2.gz JBGAYRSSMIOGGC-CQSZACIVSA-N 1 0 261.413 2.456 20 10 CECDRO Cc1cc(O)c(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000843054622 640257536 /nfs/dbraw/zinc/25/75/36/640257536.db2.gz XBTMFJWGFQWPPR-CABCVRRESA-N 1 0 260.381 2.335 20 10 CECDRO C[C@@H]1[C@H](C)[NH2+]CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000843058043 640259727 /nfs/dbraw/zinc/25/97/27/640259727.db2.gz NYSZLJOCRORMNR-RWCKICOTSA-N 1 0 273.424 2.448 20 10 CECDRO NC(=O)c1ccc(CN2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000843057935 640259937 /nfs/dbraw/zinc/25/99/37/640259937.db2.gz ZTHBDUBPOQBJJJ-UHFFFAOYSA-N 1 0 295.386 2.197 20 10 CECDRO CC(C)[C@H]1CN(Cc2c(O)cccc2Cl)CC[NH2+]1 ZINC000843105008 640282492 /nfs/dbraw/zinc/28/24/92/640282492.db2.gz OPPTTWPIVUQVMI-CYBMUJFWSA-N 1 0 268.788 2.475 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1F ZINC000843117326 640287536 /nfs/dbraw/zinc/28/75/36/640287536.db2.gz OOHGVTYDVKCJJO-KRWDZBQOSA-N 1 0 291.414 2.467 20 10 CECDRO COc1cccc(CN2CCc3ccccc3[C@@H]2C[NH3+])c1O ZINC000843128026 640294124 /nfs/dbraw/zinc/29/41/24/640294124.db2.gz GZRBMAAQYAOVNG-INIZCTEOSA-N 1 0 298.386 2.459 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c(O)c1 ZINC000877095511 650570041 /nfs/dbraw/zinc/57/00/41/650570041.db2.gz ZXBOYBBPAKJSCX-TZMCWYRMSA-N 1 0 260.381 2.415 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)/C=C/C(C)(C)C)cc1 ZINC000843298117 640380300 /nfs/dbraw/zinc/38/03/00/640380300.db2.gz MJTQQUWURDPKGS-NKSUMMKUSA-N 1 0 289.423 2.471 20 10 CECDRO CCCOC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350093 640399467 /nfs/dbraw/zinc/39/94/67/640399467.db2.gz IVNFRUVQCVGISM-LBPRGKRZSA-N 1 0 276.380 2.240 20 10 CECDRO CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CC[C@@H]1[NH3+] ZINC000843376553 640410697 /nfs/dbraw/zinc/41/06/97/640410697.db2.gz AXEXLBAIKFXIGQ-ABAIWWIYSA-N 1 0 294.370 2.293 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000877165757 650605469 /nfs/dbraw/zinc/60/54/69/650605469.db2.gz LQVQEOBUNMYWHZ-LLVKDONJSA-N 1 0 272.352 2.089 20 10 CECDRO CC[NH+](CC)CCNC(=O)NCc1cc(Cl)ccc1O ZINC000844847772 640851153 /nfs/dbraw/zinc/85/11/53/640851153.db2.gz YNHBAEWNSGTPJK-UHFFFAOYSA-N 1 0 299.802 2.187 20 10 CECDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cn1cccn1 ZINC000917397704 640881376 /nfs/dbraw/zinc/88/13/76/640881376.db2.gz ZVXMMCLGRLLVHK-ZDUSSCGKSA-N 1 0 271.364 2.244 20 10 CECDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000154475515 640908359 /nfs/dbraw/zinc/90/83/59/640908359.db2.gz OPORVXGKDYDJFK-ZDUSSCGKSA-N 1 0 253.317 2.267 20 10 CECDRO CCCC[N@H+](C)CCNC(=O)NCc1c(O)cccc1F ZINC000918208008 640949134 /nfs/dbraw/zinc/94/91/34/640949134.db2.gz GOUIMBZPSQTRAH-UHFFFAOYSA-N 1 0 297.374 2.062 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(C)=O)C2)cc1C ZINC000994567184 640954239 /nfs/dbraw/zinc/95/42/39/640954239.db2.gz CBYRURCADOOZJI-JKSUJKDBSA-N 1 0 290.407 2.398 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)COCC2CC2)c1O ZINC000846073878 641174813 /nfs/dbraw/zinc/17/48/13/641174813.db2.gz SHRNGXRZWHYVOU-LLVKDONJSA-N 1 0 265.353 2.306 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CO)CCF)cc1 ZINC000846095533 641179007 /nfs/dbraw/zinc/17/90/07/641179007.db2.gz AZCJWYMMSXNCJD-NQHOJNORSA-N 1 0 266.360 2.076 20 10 CECDRO OC[C@H](CCF)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000846095584 641179720 /nfs/dbraw/zinc/17/97/20/641179720.db2.gz BKWVXEQUJOXZSX-HNNXBMFYSA-N 1 0 280.387 2.487 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)CCF)cc1 ZINC000846095528 641179858 /nfs/dbraw/zinc/17/98/58/641179858.db2.gz AYMUFICFTPSWRF-AWEZNQCLSA-N 1 0 268.376 2.343 20 10 CECDRO CCOCc1cc(C[NH2+][C@H](CO)CCF)ccc1OC ZINC000846096403 641179862 /nfs/dbraw/zinc/17/98/62/641179862.db2.gz HLEHPWSVTHUDHE-AWEZNQCLSA-N 1 0 285.359 2.042 20 10 CECDRO COc1cc(O)c(C[NH2+]CCC2(CO)CCC2)cc1OC ZINC000846103975 641182152 /nfs/dbraw/zinc/18/21/52/641182152.db2.gz APWAYESTFGWUKM-UHFFFAOYSA-N 1 0 295.379 2.052 20 10 CECDRO COc1ccc(C[NH2+]CC[C@]2(O)CCCOC2)cc1C ZINC000846111381 641186014 /nfs/dbraw/zinc/18/60/14/641186014.db2.gz SMIFDBFPPBAIPK-MRXNPFEDSA-N 1 0 279.380 2.025 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCN2CCCC2)c1O ZINC000846138988 641197140 /nfs/dbraw/zinc/19/71/40/641197140.db2.gz ZHBOEHZPRZZZEG-LBPRGKRZSA-N 1 0 264.369 2.147 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCOC2)c1O ZINC000846144415 641200542 /nfs/dbraw/zinc/20/05/42/641200542.db2.gz JECYXKNDOWDSTN-GHMZBOCLSA-N 1 0 251.326 2.230 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](CCO)CSC)c1O ZINC000846144526 641201031 /nfs/dbraw/zinc/20/10/31/641201031.db2.gz LCXJSAZIHXRUFM-GHMZBOCLSA-N 1 0 285.409 2.165 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1O ZINC000846148257 641203050 /nfs/dbraw/zinc/20/30/50/641203050.db2.gz YTDDKLRMDFBLHU-RYUDHWBXSA-N 1 0 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CC[S@](=O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756578042 644671285 /nfs/dbraw/zinc/67/12/85/644671285.db2.gz VQAUDESUXOXYQY-XYZCENFISA-N 1 0 275.801 2.465 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c(O)c1C ZINC000756656604 644679607 /nfs/dbraw/zinc/67/96/07/644679607.db2.gz YXMAVWCPERAWDW-RHSMWYFYSA-N 1 0 293.407 2.449 20 10 CECDRO C[C@@H](O)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756765066 644690142 /nfs/dbraw/zinc/69/01/42/644690142.db2.gz NHYWLOHTPRVLCN-NGZCFLSTSA-N 1 0 253.317 2.440 20 10 CECDRO C[C@@H](O)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756765065 644690412 /nfs/dbraw/zinc/69/04/12/644690412.db2.gz NHYWLOHTPRVLCN-KKZNHRDASA-N 1 0 253.317 2.440 20 10 CECDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cc(Cl)ccc1O ZINC000756760218 644690433 /nfs/dbraw/zinc/69/04/33/644690433.db2.gz POJOTZQAJKFVPR-PGUXBMHVSA-N 1 0 298.814 2.415 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756782065 644691621 /nfs/dbraw/zinc/69/16/21/644691621.db2.gz 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ZINC000765252147 645749145 /nfs/dbraw/zinc/74/91/45/645749145.db2.gz IBEYYEWZZGRIFN-DZGCQCFKSA-N 1 0 289.423 2.276 20 10 CECDRO C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768437722 646122445 /nfs/dbraw/zinc/12/24/45/646122445.db2.gz FIUPTOVXXKJUKE-INIZCTEOSA-N 1 0 285.343 2.450 20 10 CECDRO CCCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441769 646122475 /nfs/dbraw/zinc/12/24/75/646122475.db2.gz MTCVSCDAKGBWEB-CYBMUJFWSA-N 1 0 251.326 2.050 20 10 CECDRO CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768440110 646122626 /nfs/dbraw/zinc/12/26/26/646122626.db2.gz SQUNGPIHHUTTGV-ABAIWWIYSA-N 1 0 277.364 2.440 20 10 CECDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC(C)(C)C ZINC000768447430 646123476 /nfs/dbraw/zinc/12/34/76/646123476.db2.gz OWKBXGLPQFFXHI-ZDUSSCGKSA-N 1 0 265.353 2.296 20 10 CECDRO CC1(C)CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768449689 646125258 /nfs/dbraw/zinc/12/52/58/646125258.db2.gz YJUXMVKRUDOCTI-CQSZACIVSA-N 1 0 277.364 2.440 20 10 CECDRO CC(C)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768464765 646128246 /nfs/dbraw/zinc/12/82/46/646128246.db2.gz UXQWNPPSCRWJPK-NHYWBVRUSA-N 1 0 277.364 2.296 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC)c(O)c1 ZINC000768878791 646178029 /nfs/dbraw/zinc/17/80/29/646178029.db2.gz SCVCATLTUNZJLR-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO COc1ccc(N2CCC[N@H+](Cc3cn[nH]c3)CC2)cc1 ZINC000768997843 646189650 /nfs/dbraw/zinc/18/96/50/646189650.db2.gz IFSYTPLPGTZQQT-UHFFFAOYSA-N 1 0 286.379 2.131 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c(O)c1 ZINC000769147223 646215547 /nfs/dbraw/zinc/21/55/47/646215547.db2.gz COCYFEUQYDLDKE-ZDUSSCGKSA-N 1 0 292.379 2.021 20 10 CECDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)Cc1ccccc1O ZINC000769281467 646235225 /nfs/dbraw/zinc/23/52/25/646235225.db2.gz DJJBKWJCIIGVAH-CHWSQXEVSA-N 1 0 276.380 2.223 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000769340283 646248321 /nfs/dbraw/zinc/24/83/21/646248321.db2.gz VLNDZBUVSLNUFN-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCCOC[C@@H]1C ZINC000769455401 646270197 /nfs/dbraw/zinc/27/01/97/646270197.db2.gz AKWSCMDJBZWGJN-NSHDSACASA-N 1 0 251.326 2.012 20 10 CECDRO COC(C)(C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000770318716 646379661 /nfs/dbraw/zinc/37/96/61/646379661.db2.gz NZNMQCFZCFGJOQ-UHFFFAOYSA-N 1 0 292.423 2.380 20 10 CECDRO C[N@H+](CCc1cnccn1)Cc1c(O)ccc2ccncc21 ZINC000770664147 646423232 /nfs/dbraw/zinc/42/32/32/646423232.db2.gz VBYZHDHXIHFCFG-UHFFFAOYSA-N 1 0 294.358 2.405 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000770745337 646434386 /nfs/dbraw/zinc/43/43/86/646434386.db2.gz GRVDJOIUNBTYMG-RYUDHWBXSA-N 1 0 265.353 2.306 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@]1(C)CO ZINC000862418029 646451894 /nfs/dbraw/zinc/45/18/94/646451894.db2.gz KCLMVKZOZUOQNN-ZBEGNZNMSA-N 1 0 298.377 2.481 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c1 ZINC000862432450 646457601 /nfs/dbraw/zinc/45/76/01/646457601.db2.gz DJSJCZWVRRDBEZ-KRWDZBQOSA-N 1 0 287.359 2.404 20 10 CECDRO CN(C)c1ccc(CN2CCO[C@@H](CCF)C2)cc1F ZINC000862530735 646486248 /nfs/dbraw/zinc/48/62/48/646486248.db2.gz RVIYFBOOKNENEX-ZDUSSCGKSA-N 1 0 284.350 2.452 20 10 CECDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(C)ccc1O ZINC000862758975 646558636 /nfs/dbraw/zinc/55/86/36/646558636.db2.gz RPZLKGNUUGORCR-CQSZACIVSA-N 1 0 276.380 2.191 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2cccnc2)cc1F ZINC000771981382 646580481 /nfs/dbraw/zinc/58/04/81/646580481.db2.gz VVNKTSDRZJKMGR-MRXNPFEDSA-N 1 0 289.354 2.110 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)cc1 ZINC000773048430 646700146 /nfs/dbraw/zinc/70/01/46/646700146.db2.gz RCBPVKKTCPCSON-CHWSQXEVSA-N 1 0 277.412 2.270 20 10 CECDRO CN(C)c1ccc(CN[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000863483203 646739539 /nfs/dbraw/zinc/73/95/39/646739539.db2.gz QZYDZUXIQPCSLN-HNNXBMFYSA-N 1 0 259.397 2.127 20 10 CECDRO C[C@H]1CC[C@@H](NCc2ccc(N(C)C)c(F)c2)C[NH2+]1 ZINC000863484251 646740226 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ZINC000774831726 646900662 /nfs/dbraw/zinc/90/06/62/646900662.db2.gz YAGORTNXCFWRGP-WCQYABFASA-N 1 0 265.353 2.306 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1O ZINC000775500937 646960859 /nfs/dbraw/zinc/96/08/59/646960859.db2.gz MJLMXDUCKIMGIT-ZYHUDNBSSA-N 1 0 282.771 2.317 20 10 CECDRO CC[C@@H]([NH2+][C@H](CCO)COC)c1cc(Cl)ccc1O ZINC000775509668 646961158 /nfs/dbraw/zinc/96/11/58/646961158.db2.gz OGAZRLRUMZKZDR-DGCLKSJQSA-N 1 0 287.787 2.484 20 10 CECDRO CC[C@H]([NH2+]CC1(CO)COC1)c1cc(Cl)ccc1O ZINC000775522529 646963083 /nfs/dbraw/zinc/96/30/83/646963083.db2.gz SLYXKEHSNGCBRL-LBPRGKRZSA-N 1 0 285.771 2.095 20 10 CECDRO CC[C@@H]([NH2+]Cc1cn(C)nn1)c1cc(Cl)ccc1O ZINC000775552320 646964641 /nfs/dbraw/zinc/96/46/41/646964641.db2.gz UIDNQIQGZULFGS-GFCCVEGCSA-N 1 0 280.759 2.415 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)c(O)c1 ZINC000775987881 647014733 /nfs/dbraw/zinc/01/47/33/647014733.db2.gz WVMPTMHZJYPARV-CHWSQXEVSA-N 1 0 278.396 2.315 20 10 CECDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1cc(Br)ccc1O ZINC000864467961 647022108 /nfs/dbraw/zinc/02/21/08/647022108.db2.gz CTVOICJMDQRHMR-XCBNKYQSSA-N 1 0 298.184 2.177 20 10 CECDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776173870 647031527 /nfs/dbraw/zinc/03/15/27/647031527.db2.gz BXPMDJMVAZCXNZ-MEDUHNTESA-N 1 0 297.395 2.296 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2C[C@H](OC)C2(C)C)cc1OC ZINC000776231887 647040607 /nfs/dbraw/zinc/04/06/07/647040607.db2.gz PSBQBCSHOKBXAW-GJZGRUSLSA-N 1 0 295.379 2.313 20 10 CECDRO C[N@H+](Cc1cccc(C(N)=O)c1)Cc1cc(F)ccc1O ZINC000779000080 647280006 /nfs/dbraw/zinc/28/00/06/647280006.db2.gz PDNYCHMUWXBZAD-UHFFFAOYSA-N 1 0 288.322 2.262 20 10 CECDRO CCn1cc(C[N@H+](C)Cc2cc(F)ccc2O)cn1 ZINC000779021569 647280845 /nfs/dbraw/zinc/28/08/45/647280845.db2.gz UUUZXYGAQOYJEK-UHFFFAOYSA-N 1 0 263.316 2.380 20 10 CECDRO CC(C)(C)C[N@H+](CCO)Cc1cc(F)ccc1O ZINC000779015388 647282191 /nfs/dbraw/zinc/28/21/91/647282191.db2.gz UZJXWLOWRPMAHC-UHFFFAOYSA-N 1 0 255.333 2.372 20 10 CECDRO COc1cncc(C[NH2+]Cc2ccccc2O)c1C ZINC000865442742 647295277 /nfs/dbraw/zinc/29/52/77/647295277.db2.gz RIVXVCOZBRTRAV-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000865691240 647425638 /nfs/dbraw/zinc/42/56/38/647425638.db2.gz WAGFQCDRKXJQQM-MISXGVKJSA-N 1 0 265.353 2.446 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)cc1OC ZINC000780891854 647477768 /nfs/dbraw/zinc/47/77/68/647477768.db2.gz AOAOKUABIYAURT-NWDGAFQWSA-N 1 0 295.379 2.002 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccnn2C)c1O ZINC000865838954 647486048 /nfs/dbraw/zinc/48/60/48/647486048.db2.gz DXGNRLLCCFZSIO-NSHDSACASA-N 1 0 275.352 2.375 20 10 CECDRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccccc1O ZINC000783507887 647723387 /nfs/dbraw/zinc/72/33/87/647723387.db2.gz CAIDFDZUUADXNL-STQMWFEESA-N 1 0 265.353 2.096 20 10 CECDRO Cc1cc(C)c(O)c(C[NH+]2CCC3(COC(=O)N3)CC2)c1 ZINC000784024272 647789531 /nfs/dbraw/zinc/78/95/31/647789531.db2.gz YLXZVJJMRRPKOV-UHFFFAOYSA-N 1 0 290.363 2.083 20 10 CECDRO CC(C)[C@H]1CN(C(=O)Nc2ccc(N)cc2)CC[N@@H+]1C ZINC000868163456 648063301 /nfs/dbraw/zinc/06/33/01/648063301.db2.gz PIFJHRYTSNWTJA-CQSZACIVSA-N 1 0 276.384 2.073 20 10 CECDRO COCC[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCOC1 ZINC000787335922 648100543 /nfs/dbraw/zinc/10/05/43/648100543.db2.gz VONBCYVFQAGIAZ-ZDUSSCGKSA-N 1 0 285.771 2.283 20 10 CECDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccccc2O)cn1 ZINC000788523389 648198343 /nfs/dbraw/zinc/19/83/43/648198343.db2.gz BTLQBNQSSOSYOL-UHFFFAOYSA-N 1 0 271.320 2.035 20 10 CECDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000790598082 648434012 /nfs/dbraw/zinc/43/40/12/648434012.db2.gz IZNMMGIPXSJGQO-UHFFFAOYSA-N 1 0 292.379 2.044 20 10 CECDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cccc(O)c1O ZINC000790668898 648440135 /nfs/dbraw/zinc/44/01/35/648440135.db2.gz OSBZCCDLPRHDPP-RYUDHWBXSA-N 1 0 292.379 2.091 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CO)CC2CCC2)c(O)c1 ZINC000793321087 648742688 /nfs/dbraw/zinc/74/26/88/648742688.db2.gz GGWZUAPIJUAKGH-CQSZACIVSA-N 1 0 279.380 2.432 20 10 CECDRO CO[C@]1(C[NH2+][C@@H](C)c2cc(C)ccc2O)CCOC1 ZINC000123156840 648826622 /nfs/dbraw/zinc/82/66/22/648826622.db2.gz ONORRWYVXNLKIO-WFASDCNBSA-N 1 0 265.353 2.157 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)CC[NH2+]CC1CC1 ZINC000870888439 648944101 /nfs/dbraw/zinc/94/41/01/648944101.db2.gz MLQIILWBMCSJHQ-UHFFFAOYSA-N 1 0 289.423 2.067 20 10 CECDRO CC(C)[C@H](C(=O)N[C@@H](C)c1ccccc1O)[C@@H](C)[NH3+] ZINC000870987671 648970800 /nfs/dbraw/zinc/97/08/00/648970800.db2.gz ABYMNZPBDCNQBV-SUNKGSAMSA-N 1 0 264.369 2.189 20 10 CECDRO COc1ccc(N2CCC([NH2+]C[C@H]3C[C@H](O)C3)CC2)cc1 ZINC000872126955 649285604 /nfs/dbraw/zinc/28/56/04/649285604.db2.gz UJEMBQPVICMDFI-SAZUREKKSA-N 1 0 290.407 2.025 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CCC(CCF)CC1)[C@@H](O)CO2 ZINC000872648411 649449003 /nfs/dbraw/zinc/44/90/03/649449003.db2.gz LJLFBCGSOVCLBV-HNNXBMFYSA-N 1 0 295.354 2.390 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCCCN(C)C2=O)cc1C ZINC000872673873 649454085 /nfs/dbraw/zinc/45/40/85/649454085.db2.gz RCJYLTNVSCMNPT-OAHLLOKOSA-N 1 0 290.407 2.452 20 10 CECDRO Cc1cccc(CN2CC[NH+](CC(C)C)CC2)c1O ZINC000124515745 649667356 /nfs/dbraw/zinc/66/73/56/649667356.db2.gz LAWVSGKDSDQWJC-UHFFFAOYSA-N 1 0 262.397 2.474 20 10 CECDRO CC[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+](C)C ZINC000124610333 649719152 /nfs/dbraw/zinc/71/91/52/649719152.db2.gz DLDQEPIEANXHHI-HNNXBMFYSA-N 1 0 277.412 2.051 20 10 CECDRO C[C@@H]([NH2+][C@@H]1C[C@H]2CCCC[C@H]2NC1=O)c1ccccc1O ZINC000879648829 651335353 /nfs/dbraw/zinc/33/53/53/651335353.db2.gz BIDHWXKDJJIONL-QHSBEEBCSA-N 1 0 288.391 2.490 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c1[O-] ZINC000883442914 652471843 /nfs/dbraw/zinc/47/18/43/652471843.db2.gz VWHJRZDGMIUNNC-QWHCGFSZSA-N 1 0 296.798 2.464 20 10 CECDRO CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(C)c1O ZINC000132569635 652535297 /nfs/dbraw/zinc/53/52/97/652535297.db2.gz ANSAOFMFDYUWRJ-NSHDSACASA-N 1 0 288.185 2.324 20 10 CECDRO Oc1ccccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000133965020 652751581 /nfs/dbraw/zinc/75/15/81/652751581.db2.gz CMCCUNZCMHRFMW-AWEZNQCLSA-N 1 0 277.364 2.210 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]([C@@H]3CCCO3)C1)OCO2 ZINC000884483150 652879284 /nfs/dbraw/zinc/87/92/84/652879284.db2.gz ORNFAHDOVGLATM-FZMZJTMJSA-N 1 0 291.347 2.122 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2(CO)CCCC2)c1 ZINC000135075023 652920363 /nfs/dbraw/zinc/92/03/63/652920363.db2.gz QCOKJIMVVXEBLJ-UHFFFAOYSA-N 1 0 265.353 2.043 20 10 CECDRO COc1ccc(N2CC[NH+]([C@H]3CCO[C@H](C)C3)CC2)cc1 ZINC001168101879 806163675 /nfs/dbraw/zinc/16/36/75/806163675.db2.gz BJSZUWGILIISLK-ZBFHGGJFSA-N 1 0 290.407 2.385 20 10 CECDRO CC1CCC([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC1 ZINC001168193080 806396065 /nfs/dbraw/zinc/39/60/65/806396065.db2.gz MHHDQZXANQRSAA-QHAMSDLMSA-N 1 0 265.353 2.300 20 10 CECDRO C[NH2+]C1CN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001204714766 806755795 /nfs/dbraw/zinc/75/57/95/806755795.db2.gz UGAVSIIVGMMWCX-UHFFFAOYSA-N 1 0 261.152 2.103 20 10 CECDRO C[NH+](C)C1(C)CN(Cc2c(O)cccc2Br)C1 ZINC001140100903 802599805 /nfs/dbraw/zinc/59/98/05/802599805.db2.gz FPGGQPGRMBJYAP-UHFFFAOYSA-N 1 0 299.212 2.291 20 10 CECDRO CC[N@H+](Cc1cccc(OC)c1O)[C@H]1CCCOC1 ZINC000402728977 802863897 /nfs/dbraw/zinc/86/38/97/802863897.db2.gz JNROGPYAYRFJAU-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccccc1O ZINC000723884774 802963789 /nfs/dbraw/zinc/96/37/89/802963789.db2.gz ZIMASVKCJSXGKU-NSHDSACASA-N 1 0 285.409 2.114 20 10 CECDRO COCCOCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000044424132 803134630 /nfs/dbraw/zinc/13/46/30/803134630.db2.gz URWKVGFGROEBTJ-UHFFFAOYSA-N 1 0 278.396 2.039 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CC3(C2)C[C@H](F)CS3)c1O ZINC001140747475 803513736 /nfs/dbraw/zinc/51/37/36/803513736.db2.gz AXXQQDGBVVVOQH-NSHDSACASA-N 1 0 283.368 2.436 20 10 CECDRO Cc1c(O)ccc(CN2CC([NH+]3CCCCC3)C2)c1O ZINC001140748718 803514262 /nfs/dbraw/zinc/51/42/62/803514262.db2.gz IVENCKCVKYVVNZ-UHFFFAOYSA-N 1 0 276.380 2.076 20 10 CECDRO CON(C)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001118426935 815014200 /nfs/dbraw/zinc/01/42/00/815014200.db2.gz FZPRPDQBAXRAFQ-NWDGAFQWSA-N 1 0 264.369 2.332 20 10 CECDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001118602716 815030170 /nfs/dbraw/zinc/03/01/70/815030170.db2.gz GCRMPWRTEIBUBZ-GASCZTMLSA-N 1 0 288.391 2.328 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1O ZINC000894535960 805504486 /nfs/dbraw/zinc/50/44/86/805504486.db2.gz ZNUSSLAUEZZYJD-CQSZACIVSA-N 1 0 279.380 2.302 20 10 CECDRO CC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232263111 807238487 /nfs/dbraw/zinc/23/84/87/807238487.db2.gz HGLWXTFWAOLLJW-VIFPVBQESA-N 1 0 269.728 2.162 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1O ZINC001233486104 807409075 /nfs/dbraw/zinc/40/90/75/807409075.db2.gz YOZGNHQJEYSYEQ-LBPRGKRZSA-N 1 0 271.263 2.035 20 10 CECDRO CN1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000037256081 815124674 /nfs/dbraw/zinc/12/46/74/815124674.db2.gz SSDUPVCPJNKYQU-UHFFFAOYSA-N 1 0 273.424 2.471 20 10 CECDRO Cc1cc(C[NH2+]Cc2c(O)cccc2Br)[nH]n1 ZINC000716471007 815126285 /nfs/dbraw/zinc/12/62/85/815126285.db2.gz SDXRVTGQUNXSAT-UHFFFAOYSA-N 1 0 296.168 2.476 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)n[nH]2)c1 ZINC000716493206 815133008 /nfs/dbraw/zinc/13/30/08/815133008.db2.gz KHPLCCNYFNQGHC-JTQLQIEISA-N 1 0 261.325 2.283 20 10 CECDRO [NH3+][C@@H]1CCCN(Cc2cc(Cl)c(O)cc2O)CC1 ZINC001205117880 807707674 /nfs/dbraw/zinc/70/76/74/807707674.db2.gz XRMFSOXANXJWOR-SNVBAGLBSA-N 1 0 270.760 2.064 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1ccccc1O ZINC000716758437 815145366 /nfs/dbraw/zinc/14/53/66/815145366.db2.gz MJAVYJKQWFODHR-WCQYABFASA-N 1 0 274.364 2.054 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798267 808258118 /nfs/dbraw/zinc/25/81/18/808258118.db2.gz CQPFJAWIILJIQO-SNVBAGLBSA-N 1 0 259.708 2.405 20 10 CECDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(F)c(Cl)cc3O)C[C@H]21 ZINC001237950429 808268250 /nfs/dbraw/zinc/26/82/50/808268250.db2.gz SZWGGVYODLGFHN-TVQRCGJNSA-N 1 0 284.762 2.321 20 10 CECDRO CC1([C@@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)OCCO1 ZINC001120269582 815209289 /nfs/dbraw/zinc/20/92/89/815209289.db2.gz USYOUZYLRSERAS-CQSZACIVSA-N 1 0 276.380 2.244 20 10 CECDRO [NH3+][C@H]1CN(Cc2c(O)ccc(F)c2Cl)CC(F)(F)C1 ZINC001206145356 815210556 /nfs/dbraw/zinc/21/05/56/815210556.db2.gz GZZXSUZTUMBBOV-SSDOTTSWSA-N 1 0 294.704 2.353 20 10 CECDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc(N)cc1)CC2 ZINC001120370804 815217498 /nfs/dbraw/zinc/21/74/98/815217498.db2.gz FTOLZAXHNBPLGE-JKSUJKDBSA-N 1 0 290.407 2.021 20 10 CECDRO C[NH+](C)Cc1ccc(-c2noc(-c3csnn3)n2)cc1 ZINC001212362086 808660493 /nfs/dbraw/zinc/66/04/93/808660493.db2.gz LYJNXFTYGWJVSD-UHFFFAOYSA-N 1 0 287.348 2.317 20 10 CECDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C(=O)C1)c1ccccc1O ZINC001172003192 815261800 /nfs/dbraw/zinc/26/18/00/815261800.db2.gz SQVVFLJUQZVSDN-RYUDHWBXSA-N 1 0 274.364 2.196 20 10 CECDRO COC(=O)C1(C)CCC([NH2+]Cc2ccc(O)cc2O)CC1 ZINC001168752577 809274228 /nfs/dbraw/zinc/27/42/28/809274228.db2.gz OQNPNBLURIEWHW-UHFFFAOYSA-N 1 0 293.363 2.309 20 10 CECDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000701015870 809379875 /nfs/dbraw/zinc/37/98/75/809379875.db2.gz SCZRKDKGCQIXEU-IUCAKERBSA-N 1 0 288.185 2.404 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2CC(OC)C2)c1 ZINC000703119594 809621012 /nfs/dbraw/zinc/62/10/12/809621012.db2.gz AHJHUHIAVRICPF-ZBOXLXRLSA-N 1 0 265.353 2.476 20 10 CECDRO C[NH+](C)C[C@@H]1CCCN1Cc1c(O)cccc1F ZINC001137837897 809782436 /nfs/dbraw/zinc/78/24/36/809782436.db2.gz YIRJXQDPGNPSKI-NSHDSACASA-N 1 0 252.333 2.057 20 10 CECDRO C[NH+](C)C1CC(NCc2c(O)cccc2Br)C1 ZINC000706812847 809855597 /nfs/dbraw/zinc/85/55/97/809855597.db2.gz CVPGVXZKDRLWJZ-UHFFFAOYSA-N 1 0 299.212 2.337 20 10 CECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCCON ZINC001120255700 810616541 /nfs/dbraw/zinc/61/65/41/810616541.db2.gz LXQVHAAPRGTCTF-QWRGUYRKSA-N 1 0 250.342 2.119 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206174513 815502962 /nfs/dbraw/zinc/50/29/62/815502962.db2.gz NNPZXZFIBZWECQ-KBPBESRZSA-N 1 0 266.360 2.270 20 10 CECDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001172917385 815544716 /nfs/dbraw/zinc/54/47/16/815544716.db2.gz FZVLUVMTZQSHOB-DGCLKSJQSA-N 1 0 251.326 2.145 20 10 CECDRO CC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001123747012 815551649 /nfs/dbraw/zinc/55/16/49/815551649.db2.gz JARWJIDNZNTHHI-GFCCVEGCSA-N 1 0 278.396 2.256 20 10 CECDRO Oc1cccc(C[NH2+][C@@H]2CCc3ncsc3C2)c1O ZINC001173142727 815601730 /nfs/dbraw/zinc/60/17/30/815601730.db2.gz WCNDDGNLENSQFX-SNVBAGLBSA-N 1 0 276.361 2.201 20 10 CECDRO CO[C@H]([C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000388208342 813232419 /nfs/dbraw/zinc/23/24/19/813232419.db2.gz FCWAJWYMPQJABG-BJOHPYRUSA-N 1 0 279.336 2.024 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H](OC)C2CC2)c1 ZINC000388240762 813234069 /nfs/dbraw/zinc/23/40/69/813234069.db2.gz QNDODUNXIXYKOJ-MEBBXXQBSA-N 1 0 265.353 2.304 20 10 CECDRO Cn1cncc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000388357121 813237430 /nfs/dbraw/zinc/23/74/30/813237430.db2.gz FUELANBBQNYCJF-UHFFFAOYSA-N 1 0 251.717 2.069 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC23CC3)cc1C ZINC001134309456 813248428 /nfs/dbraw/zinc/24/84/28/813248428.db2.gz MMGLXRCTXVFCMM-CQSZACIVSA-N 1 0 288.391 2.010 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCc2cnccn2)c1O ZINC000390206593 813261746 /nfs/dbraw/zinc/26/17/46/813261746.db2.gz MUNRRIDIVMXPKI-UHFFFAOYSA-N 1 0 293.754 2.177 20 10 CECDRO OCC1(CC[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000395852841 813543636 /nfs/dbraw/zinc/54/36/36/813543636.db2.gz GTAPXENHNVIBRV-UHFFFAOYSA-N 1 0 255.745 2.298 20 10 CECDRO C[NH+]1CCC(CC(=O)N2CCc3cccc(O)c3C2)CC1 ZINC001143354220 813854244 /nfs/dbraw/zinc/85/42/44/813854244.db2.gz ZXTACMHIBWXCJF-UHFFFAOYSA-N 1 0 288.391 2.009 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000689528350 813948107 /nfs/dbraw/zinc/94/81/07/813948107.db2.gz XTJAXKBPCYEYIL-LBPRGKRZSA-N 1 0 279.384 2.101 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000689583941 813969384 /nfs/dbraw/zinc/96/93/84/813969384.db2.gz KQVKNXAIQAIXOC-NSHDSACASA-N 1 0 266.341 2.049 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC(O)(C2CC2)C2CC2)c1 ZINC000689630985 813990364 /nfs/dbraw/zinc/99/03/64/813990364.db2.gz NRLKEOMQSMTILZ-UHFFFAOYSA-N 1 0 261.365 2.341 20 10 CECDRO C[N@H+](Cc1cccs1)Cc1c(O)cc(O)cc1O ZINC001144508924 814097241 /nfs/dbraw/zinc/09/72/41/814097241.db2.gz DLXXQPXQFVIUCB-UHFFFAOYSA-N 1 0 265.334 2.497 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](COCC3CC3)C2)c(O)c1 ZINC001144515341 814099104 /nfs/dbraw/zinc/09/91/04/814099104.db2.gz KKLQFFKFLLFDQG-LBPRGKRZSA-N 1 0 293.363 2.052 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c(O)c1 ZINC000713480345 814858362 /nfs/dbraw/zinc/85/83/62/814858362.db2.gz HRFXCZQJGRTXCJ-HUUCEWRRSA-N 1 0 277.364 2.448 20 10 CECDRO CC[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccccc1O ZINC000714353736 814898058 /nfs/dbraw/zinc/89/80/58/814898058.db2.gz ZRIJVKSYMFAOPL-JSGCOSHPSA-N 1 0 297.420 2.400 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2C[C@@H](COC)C2)c1O ZINC000714457042 814905952 /nfs/dbraw/zinc/90/59/52/814905952.db2.gz BKOPARBKNPBSNA-BJHJDKERSA-N 1 0 265.353 2.306 20 10 CECDRO CC[NH+](CC)C[C@H]1CN(Cc2c(O)cccc2F)CCO1 ZINC001137841649 815694717 /nfs/dbraw/zinc/69/47/17/815694717.db2.gz OAXDQAUYRAIVSN-ZDUSSCGKSA-N 1 0 296.386 2.074 20 10 CECDRO Oc1c(F)cccc1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001138125325 815734928 /nfs/dbraw/zinc/73/49/28/815734928.db2.gz OCMCZWINSAJNPU-UHFFFAOYSA-N 1 0 290.382 2.449 20 10 CECDRO CCC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3[O-])C[C@@H]2C1 ZINC001138131037 815735979 /nfs/dbraw/zinc/73/59/79/815735979.db2.gz NRQPEMYSEBPJMV-OKILXGFUSA-N 1 0 278.371 2.305 20 10 CECDRO C[NH+](C)C1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215624 815750675 /nfs/dbraw/zinc/75/06/75/815750675.db2.gz MDJBIQPJQWXOEI-UHFFFAOYSA-N 1 0 273.424 2.423 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354256 815773666 /nfs/dbraw/zinc/77/36/66/815773666.db2.gz CFVFHUNQGOAXMS-HNNXBMFYSA-N 1 0 288.391 2.064 20 10 CECDRO CCOC(=O)CC[N@H+](C)Cc1ccc2c(c1)CCCN2C ZINC001138356160 815775004 /nfs/dbraw/zinc/77/50/04/815775004.db2.gz IWUIOAKQJWDPLY-UHFFFAOYSA-N 1 0 290.407 2.454 20 10 CECDRO CN1CCCc2cc(C[N@H+](C)CC3COC3)ccc21 ZINC001138356104 815775059 /nfs/dbraw/zinc/77/50/59/815775059.db2.gz HQYOFMYEHWBQCO-UHFFFAOYSA-N 1 0 260.381 2.147 20 10 CECDRO CN1CCCc2cc(C[N@H+]3C[C@H](CO)C[C@H](F)C3)ccc21 ZINC001138354842 815775265 /nfs/dbraw/zinc/77/52/65/815775265.db2.gz WMMPPJJLLSNSPI-ZBFHGGJFSA-N 1 0 292.398 2.221 20 10 CECDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001173636922 815775356 /nfs/dbraw/zinc/77/53/56/815775356.db2.gz PSGAUEIGUVCDQE-YPMHNXCESA-N 1 0 293.363 2.309 20 10 CECDRO COCC[N@H+](Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC001138498254 815816372 /nfs/dbraw/zinc/81/63/72/815816372.db2.gz WTWOTXZQUZPSST-UHFFFAOYSA-N 1 0 292.423 2.380 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c1O ZINC001140178805 816204030 /nfs/dbraw/zinc/20/40/30/816204030.db2.gz YBHDENFNRBZLNV-KGLIPLIRSA-N 1 0 267.344 2.304 20 10 CECDRO CCOC(=O)N1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140182301 816205204 /nfs/dbraw/zinc/20/52/04/816205204.db2.gz OGGFNZDDJKPRMQ-UHFFFAOYSA-N 1 0 292.379 2.283 20 10 CECDRO COC(=O)C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342466 816237806 /nfs/dbraw/zinc/23/78/06/816237806.db2.gz KIZYHBZXBNEIKC-SNVBAGLBSA-N 1 0 283.755 2.431 20 10 CECDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1c(O)cccc1Cl)C2 ZINC001140341836 816238604 /nfs/dbraw/zinc/23/86/04/816238604.db2.gz JPRLPIVTAPLWCG-IAQYHMDHSA-N 1 0 280.799 2.429 20 10 CECDRO CC[N@H+](CCN(C)C)Cc1ccc(Cl)cc1O ZINC001140461373 816259750 /nfs/dbraw/zinc/25/97/50/816259750.db2.gz JRDUVDTUKYSSAA-UHFFFAOYSA-N 1 0 256.777 2.429 20 10 CECDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140622717 816305971 /nfs/dbraw/zinc/30/59/71/816305971.db2.gz DDDSYZSKJDJSOE-CYBMUJFWSA-N 1 0 277.364 2.476 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC001140624501 816307551 /nfs/dbraw/zinc/30/75/51/816307551.db2.gz YNPPVUWWXKTCTN-ZDUSSCGKSA-N 1 0 277.364 2.476 20 10 CECDRO CO[C@@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140742371 816339050 /nfs/dbraw/zinc/33/90/50/816339050.db2.gz LWYPUYDJGJWYQE-GFCCVEGCSA-N 1 0 251.326 2.017 20 10 CECDRO COC(=O)CC1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140743884 816340034 /nfs/dbraw/zinc/34/00/34/816340034.db2.gz DAMGENCRVHTBJH-UHFFFAOYSA-N 1 0 293.363 2.181 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1O ZINC001140743837 816340164 /nfs/dbraw/zinc/34/01/64/816340164.db2.gz AXPVSKVWYDWYGD-SDDRHHMPSA-N 1 0 251.301 2.196 20 10 CECDRO Cc1c(O)ccc(C[N@H+](C)C[C@@H]2CCCCO2)c1O ZINC001140745291 816341883 /nfs/dbraw/zinc/34/18/83/816341883.db2.gz DDCIITROXUVSOT-ZDUSSCGKSA-N 1 0 265.353 2.407 20 10 CECDRO CC[N@H+](CCC(N)=O)Cc1ccc(N(C)C)cc1Cl ZINC001140923940 816411039 /nfs/dbraw/zinc/41/10/39/816411039.db2.gz LSXPLOCVPZEGSQ-UHFFFAOYSA-N 1 0 283.803 2.103 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(O)CC2)c(Cl)c1 ZINC001140921689 816411163 /nfs/dbraw/zinc/41/11/63/816411163.db2.gz NBYHWDOOVVZDJT-UHFFFAOYSA-N 1 0 268.788 2.363 20 10 CECDRO COCC1C[NH+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140921913 816411332 /nfs/dbraw/zinc/41/13/32/816411332.db2.gz VOZRGKQNPJCTST-UHFFFAOYSA-N 1 0 268.788 2.484 20 10 CECDRO CN(C)C(=O)CC[N@H+](C)Cc1ccc(N(C)C)cc1Cl ZINC001140924665 816412970 /nfs/dbraw/zinc/41/29/70/816412970.db2.gz LHQVQEQUDSQIDN-UHFFFAOYSA-N 1 0 297.830 2.316 20 10 CECDRO Cc1ccc(C[NH+]2CCN(c3cccnc3)CC2)c(O)c1 ZINC001140948124 816422732 /nfs/dbraw/zinc/42/27/32/816422732.db2.gz UKDYXZZAIGVIGX-UHFFFAOYSA-N 1 0 283.375 2.418 20 10 CECDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140950928 816423831 /nfs/dbraw/zinc/42/38/31/816423831.db2.gz PMDNJVFKVGYXJV-GXTWGEPZSA-N 1 0 277.364 2.332 20 10 CECDRO Cc1ccc(C[N@H+]2CC[C@H](N(C)C3CC3)C2)c(O)c1 ZINC001140958364 816425775 /nfs/dbraw/zinc/42/57/75/816425775.db2.gz ZFKPCVLGRRUJHN-HNNXBMFYSA-N 1 0 260.381 2.369 20 10 CECDRO COc1cc(O)c(C[NH+]2CCC(OC)CC2)c(OC)c1 ZINC001141031290 816450721 /nfs/dbraw/zinc/45/07/21/816450721.db2.gz BOUKBBITXYWKJK-UHFFFAOYSA-N 1 0 281.352 2.020 20 10 CECDRO OC[C@@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076253 816472027 /nfs/dbraw/zinc/47/20/27/816472027.db2.gz OMOKZRBLYKWHRA-CQSZACIVSA-N 1 0 286.419 2.200 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)CC[C@@H]1O ZINC001141139944 816484302 /nfs/dbraw/zinc/48/43/02/816484302.db2.gz FWKAQRPFZADQLB-CJNGLKHVSA-N 1 0 290.407 2.108 20 10 CECDRO CN1CCOc2cc(CN3CCC[C@H]([NH+](C)C)C3)ccc21 ZINC001141143360 816485871 /nfs/dbraw/zinc/48/58/71/816485871.db2.gz VZXLBVCBKHHBFA-HNNXBMFYSA-N 1 0 289.423 2.041 20 10 CECDRO COC1(C)CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141155956 816489730 /nfs/dbraw/zinc/48/97/30/816489730.db2.gz BXZSCYJZVVJOMX-UHFFFAOYSA-N 1 0 251.326 2.099 20 10 CECDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001141161508 816492038 /nfs/dbraw/zinc/49/20/38/816492038.db2.gz SPKOESWGAWTBAR-ONXXMXGDSA-N 1 0 263.337 2.240 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)c(O)c1 ZINC000839192944 816567514 /nfs/dbraw/zinc/56/75/14/816567514.db2.gz XWWPFEJDTWRFBO-LLVKDONJSA-N 1 0 275.352 2.375 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCCCNC2=O)cc1C ZINC000123883700 365643156 /nfs/dbraw/zinc/64/31/56/365643156.db2.gz YJTHOYKWNHHCPF-CQSZACIVSA-N 1 0 276.380 2.110 20 10 CECDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1c(O)cccc1Cl ZINC000125477211 365677231 /nfs/dbraw/zinc/67/72/31/365677231.db2.gz NDDVLVIBHHKFPX-HUTHGQBESA-N 1 0 275.801 2.292 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCCNC2=O)c(O)c1 ZINC000036976453 361877535 /nfs/dbraw/zinc/87/75/35/361877535.db2.gz XMCIWYWKZKFTSP-AAEUAGOBSA-N 1 0 262.353 2.020 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c[nH]nc2C)c1 ZINC000038011147 361979349 /nfs/dbraw/zinc/97/93/49/361979349.db2.gz KOWAWBLDQHRUTP-SNVBAGLBSA-N 1 0 261.325 2.283 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000090055587 344134602 /nfs/dbraw/zinc/13/46/02/344134602.db2.gz AXVMVFLNRDNYIE-SUMWQHHRSA-N 1 0 292.423 2.191 20 10 CECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)[C@H]1C ZINC000280901010 344674688 /nfs/dbraw/zinc/67/46/88/344674688.db2.gz OLBXEXJWSOVKNL-OBJOEFQTSA-N 1 0 277.364 2.460 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000091928187 364072637 /nfs/dbraw/zinc/07/26/37/364072637.db2.gz DJLCDXSKEHYRHH-JKSUJKDBSA-N 1 0 277.364 2.080 20 10 CECDRO OC[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000092455543 364077320 /nfs/dbraw/zinc/07/73/20/364077320.db2.gz OWNNCONXFZRQBE-NSHDSACASA-N 1 0 286.169 2.111 20 10 CECDRO CC[NH+](CC)[C@H]1CCN(Cc2cccc(F)c2O)C1 ZINC000160233619 366985917 /nfs/dbraw/zinc/98/59/17/366985917.db2.gz WGWBXROGGQWWJE-ZDUSSCGKSA-N 1 0 266.360 2.447 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C(C)C)c1 ZINC000168776093 367359439 /nfs/dbraw/zinc/35/94/39/367359439.db2.gz FEDJCSLPJXCRMA-HZMBPMFUSA-N 1 0 253.342 2.068 20 10 CECDRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccccc1O ZINC000174433848 368022718 /nfs/dbraw/zinc/02/27/18/368022718.db2.gz WDBCVPWZSXLPOV-UHFFFAOYSA-N 1 0 251.326 2.214 20 10 CECDRO CC[NH+](CC)CCN(CCOC)Cc1cc(F)ccc1O ZINC000180079176 368367002 /nfs/dbraw/zinc/36/70/02/368367002.db2.gz FMHOPMGRSZPHBN-UHFFFAOYSA-N 1 0 298.402 2.322 20 10 CECDRO COc1cccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1O ZINC000179645974 368346624 /nfs/dbraw/zinc/34/66/24/368346624.db2.gz MHJWKUVRGBRBQO-OAHLLOKOSA-N 1 0 290.407 2.461 20 10 CECDRO CCOCCO[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180769620 368394561 /nfs/dbraw/zinc/39/45/61/368394561.db2.gz GLNYWEQIHVVUJZ-HNNXBMFYSA-N 1 0 295.379 2.028 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000183272693 368620427 /nfs/dbraw/zinc/62/04/27/368620427.db2.gz FWJKJNCBYTUJRV-UHFFFAOYSA-N 1 0 291.391 2.330 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1 ZINC000185179258 368761626 /nfs/dbraw/zinc/76/16/26/368761626.db2.gz VCEVUBMOSAKCIS-SECBINFHSA-N 1 0 290.285 2.030 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCC(O)CC2)c(O)c1 ZINC000185116336 368749948 /nfs/dbraw/zinc/74/99/48/368749948.db2.gz JCBNWAPXIVIXRZ-CQSZACIVSA-N 1 0 292.423 2.198 20 10 CECDRO C[C@H]([NH2+]CCSCCCO)c1cc(F)ccc1O ZINC000185379228 368800035 /nfs/dbraw/zinc/80/00/35/368800035.db2.gz ZXDSVTDXSITUIY-JTQLQIEISA-N 1 0 273.373 2.298 20 10 CECDRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187762214 369217967 /nfs/dbraw/zinc/21/79/67/369217967.db2.gz BDOQAQKOLXGGRJ-RKDXNWHRSA-N 1 0 259.296 2.482 20 10 CECDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000188906101 369427507 /nfs/dbraw/zinc/42/75/07/369427507.db2.gz YNZBOCBONNPOPV-ZBFHGGJFSA-N 1 0 297.370 2.187 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1 ZINC000189341605 369501617 /nfs/dbraw/zinc/50/16/17/369501617.db2.gz GYKLGVOEWGYJOK-ZIAGYGMSSA-N 1 0 265.353 2.040 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1OC ZINC000190190867 369602921 /nfs/dbraw/zinc/60/29/21/369602921.db2.gz OBMZPCQGGXQJRW-BZNIZROVSA-N 1 0 295.379 2.266 20 10 CECDRO C[C@@H]([NH2+]CC1(C)OCCCO1)c1cc(F)ccc1O ZINC000190648471 369641757 /nfs/dbraw/zinc/64/17/57/369641757.db2.gz POTKRXCNMPIGCZ-SNVBAGLBSA-N 1 0 269.316 2.335 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@H](C)[NH3+])cc1 ZINC000192098369 369772898 /nfs/dbraw/zinc/77/28/98/369772898.db2.gz CURZCHLKRVDXMO-OLZOCXBDSA-N 1 0 277.412 2.132 20 10 CECDRO C[C@H]1CSCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000192177080 369778315 /nfs/dbraw/zinc/77/83/15/369778315.db2.gz BPBDKZGJBKHWJK-SNVBAGLBSA-N 1 0 281.377 2.306 20 10 CECDRO [NH3+][C@@H]1CC=C(C(=O)N2CCCCc3ccccc32)C1 ZINC000637935206 370181960 /nfs/dbraw/zinc/18/19/60/370181960.db2.gz PVPHXINQQYLIGS-CQSZACIVSA-N 1 0 256.349 2.403 20 10 CECDRO CCC[C@](C)(O)C[NH2+]Cc1cc(OC)ccc1O ZINC000224810412 370282725 /nfs/dbraw/zinc/28/27/25/370282725.db2.gz AJPVDMBHSMMLPQ-AWEZNQCLSA-N 1 0 253.342 2.042 20 10 CECDRO Cc1ccc(O)c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000228179528 370399120 /nfs/dbraw/zinc/39/91/20/370399120.db2.gz QCMPRORBXMTPCZ-UKRRQHHQSA-N 1 0 260.381 2.369 20 10 CECDRO OCCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCC1 ZINC000266634157 372049726 /nfs/dbraw/zinc/04/97/26/372049726.db2.gz QTVVQAMQFPORAX-UHFFFAOYSA-N 1 0 293.363 2.153 20 10 CECDRO Cn1nncc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000267529967 372073683 /nfs/dbraw/zinc/07/36/83/372073683.db2.gz RQNUPJJFQVVBRV-UHFFFAOYSA-N 1 0 285.395 2.095 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1O ZINC000268871100 372266384 /nfs/dbraw/zinc/26/63/84/372266384.db2.gz VFXHCNQTZKLAEJ-GFCCVEGCSA-N 1 0 273.336 2.291 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000364229770 372699423 /nfs/dbraw/zinc/69/94/23/372699423.db2.gz YKJBOCVUEGYDJB-UHFFFAOYSA-N 1 0 291.391 2.472 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1O ZINC000364509127 372745263 /nfs/dbraw/zinc/74/52/63/372745263.db2.gz BDYYSAUEIYGIDS-CQSZACIVSA-N 1 0 263.337 2.012 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)[C@H](O)C(F)(F)F ZINC000271015702 373067470 /nfs/dbraw/zinc/06/74/70/373067470.db2.gz TVQPGSWEULOLKB-PWSUYJOCSA-N 1 0 277.286 2.492 20 10 CECDRO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC000271060636 373100325 /nfs/dbraw/zinc/10/03/25/373100325.db2.gz FFTSGTJDVHPIHM-CYBMUJFWSA-N 1 0 294.782 2.289 20 10 CECDRO CCCNC(=O)C[N@H+](CCC)Cc1cc(OC)ccc1O ZINC000271710514 373196954 /nfs/dbraw/zinc/19/69/54/373196954.db2.gz GTLHXGCMDOPDSR-UHFFFAOYSA-N 1 0 294.395 2.139 20 10 CECDRO Cc1cc(Cl)cc(C[NH+]2CCC(O)CC2)c1O ZINC000271774435 373200178 /nfs/dbraw/zinc/20/01/78/373200178.db2.gz FWOONXIVTMJDCM-UHFFFAOYSA-N 1 0 255.745 2.311 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@@H]1O ZINC000273779473 373770813 /nfs/dbraw/zinc/77/08/13/373770813.db2.gz SLDCAQHWZKBAOH-SKDRFNHKSA-N 1 0 285.771 2.257 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1 ZINC000273450701 373757152 /nfs/dbraw/zinc/75/71/52/373757152.db2.gz FYTNCGNWXBFCRK-PRHODGIISA-N 1 0 293.285 2.365 20 10 CECDRO CCn1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cn1 ZINC000273450645 373757478 /nfs/dbraw/zinc/75/74/78/373757478.db2.gz FWQHPDXGPXFYMO-LLVKDONJSA-N 1 0 275.352 2.468 20 10 CECDRO OC[C@@]1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOC1 ZINC000273484624 373759253 /nfs/dbraw/zinc/75/92/53/373759253.db2.gz LWDXVMQTAQPRKP-SFHVURJKSA-N 1 0 299.370 2.300 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c1 ZINC000273484347 373760547 /nfs/dbraw/zinc/76/05/47/373760547.db2.gz MXTAEFJRLUWPNH-BLLLJJGKSA-N 1 0 279.380 2.139 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273520446 373762225 /nfs/dbraw/zinc/76/22/25/373762225.db2.gz UAZZDMWTMZWWFD-OLZOCXBDSA-N 1 0 276.380 2.361 20 10 CECDRO CNC(=O)CCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273597400 373767334 /nfs/dbraw/zinc/76/73/34/373767334.db2.gz QYPOFCSNCIEFRD-SECBINFHSA-N 1 0 270.760 2.222 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1C ZINC000375555988 374661669 /nfs/dbraw/zinc/66/16/69/374661669.db2.gz DBCRLFIUHIRNNF-MRXNPFEDSA-N 1 0 290.363 2.083 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)CCCO1 ZINC000281169112 375361398 /nfs/dbraw/zinc/36/13/98/375361398.db2.gz GSBWZTSEOATPLX-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)cc1 ZINC000282650411 375539838 /nfs/dbraw/zinc/53/98/38/375539838.db2.gz HZUGZOCBGPNEHY-OLZOCXBDSA-N 1 0 295.402 2.268 20 10 CECDRO CCC(CC)(CCO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000282988380 375631938 /nfs/dbraw/zinc/63/19/38/375631938.db2.gz MSDJTOXYHYHRKR-UHFFFAOYSA-N 1 0 281.352 2.152 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000287128161 376155670 /nfs/dbraw/zinc/15/56/70/376155670.db2.gz RNOVYVBSQJIANP-CHWSQXEVSA-N 1 0 297.420 2.176 20 10 CECDRO CC[C@@H]([NH2+]CC(C)(C)OCCO)c1ccccc1O ZINC000287520120 376250183 /nfs/dbraw/zinc/25/01/83/376250183.db2.gz ZOYPTLLSENGVSP-CYBMUJFWSA-N 1 0 267.369 2.220 20 10 CECDRO CCOCC(C)(C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000288701404 376381107 /nfs/dbraw/zinc/38/11/07/376381107.db2.gz YOTLUGOSUWZNCV-UHFFFAOYSA-N 1 0 281.352 2.273 20 10 CECDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000292995090 377385169 /nfs/dbraw/zinc/38/51/69/377385169.db2.gz MOKVDKDILDYBOV-BLLLJJGKSA-N 1 0 261.365 2.262 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2snnc2C)c1 ZINC000293839085 377783089 /nfs/dbraw/zinc/78/30/89/377783089.db2.gz WUQGVFSODGFMDK-MRVPVSSYSA-N 1 0 279.365 2.412 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1CF)OCO2 ZINC000294056450 377889324 /nfs/dbraw/zinc/88/93/24/377889324.db2.gz PTRGRKCQULCVFG-JTQLQIEISA-N 1 0 253.273 2.055 20 10 CECDRO COC[C@@]1(C)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000294252979 377955699 /nfs/dbraw/zinc/95/56/99/377955699.db2.gz QBSQFRDLGXFPRU-HNNXBMFYSA-N 1 0 265.353 2.259 20 10 CECDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cccc(F)c1[O-] ZINC000294111135 377908267 /nfs/dbraw/zinc/90/82/67/377908267.db2.gz SQGZKYJPYIRLDB-HZMBPMFUSA-N 1 0 253.317 2.172 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)[C@@H](O)C(F)F)c1 ZINC000294955516 378031218 /nfs/dbraw/zinc/03/12/18/378031218.db2.gz DMILLKQZVIORLE-DGCLKSJQSA-N 1 0 289.322 2.285 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1F ZINC000294961842 378033120 /nfs/dbraw/zinc/03/31/20/378033120.db2.gz WRORCQIHMOYVOP-BETUJISGSA-N 1 0 266.360 2.285 20 10 CECDRO CCC[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1O)OC ZINC000295189158 378047093 /nfs/dbraw/zinc/04/70/93/378047093.db2.gz XBJVSQACAZJGKC-LBPRGKRZSA-N 1 0 283.368 2.314 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000294804145 378021571 /nfs/dbraw/zinc/02/15/71/378021571.db2.gz PEKPETZJTQNDLP-STQMWFEESA-N 1 0 288.391 2.423 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nccnc2C)c1 ZINC000294852999 378023434 /nfs/dbraw/zinc/02/34/34/378023434.db2.gz BLRVBCRNOIVDLN-LLVKDONJSA-N 1 0 287.363 2.393 20 10 CECDRO CCn1cc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000294862205 378024086 /nfs/dbraw/zinc/02/40/86/378024086.db2.gz OKHPFIFHFVLRHN-JTQLQIEISA-N 1 0 289.335 2.188 20 10 CECDRO Cn1cc(CCC[NH2+][C@@H]2CCc3cccc(O)c32)cn1 ZINC000297625535 378688475 /nfs/dbraw/zinc/68/84/75/378688475.db2.gz JBLKIXVNRHNMTB-CQSZACIVSA-N 1 0 271.364 2.335 20 10 CECDRO CC1(C)COCCN1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297734118 378689282 /nfs/dbraw/zinc/68/92/82/378689282.db2.gz NRKJSKFZKLCSOE-CQSZACIVSA-N 1 0 290.407 2.080 20 10 CECDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(F)ccc1O ZINC000530216493 380197366 /nfs/dbraw/zinc/19/73/66/380197366.db2.gz PSJLDLAYCHXTTN-HZMBPMFUSA-N 1 0 264.344 2.467 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000184693361 262026026 /nfs/dbraw/zinc/02/60/26/262026026.db2.gz NQVLTMOVFFOIBU-NSHDSACASA-N 1 0 298.814 2.438 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271422682 285398519 /nfs/dbraw/zinc/39/85/19/285398519.db2.gz MPEUAANETYRBOL-CYBMUJFWSA-N 1 0 263.337 2.168 20 10 CECDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000093481985 394667261 /nfs/dbraw/zinc/66/72/61/394667261.db2.gz GBKHNOHONYHFIY-BBRMVZONSA-N 1 0 262.397 2.488 20 10 CECDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)CCN1C ZINC000093644863 394668997 /nfs/dbraw/zinc/66/89/97/394668997.db2.gz JWHJZSQMYWCVBL-YPMHNXCESA-N 1 0 292.379 2.035 20 10 CECDRO COc1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc1C ZINC000270459330 394734656 /nfs/dbraw/zinc/73/46/56/394734656.db2.gz FKYZMERGWQYBOQ-LBPRGKRZSA-N 1 0 277.286 2.407 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@]23CCOC3)cc1OC ZINC000367047719 394956351 /nfs/dbraw/zinc/95/63/51/394956351.db2.gz LZOALVBLDIWWGJ-MRXNPFEDSA-N 1 0 293.363 2.164 20 10 CECDRO CCOc1cccc(C[N@H+](CCCOC)CCOC)c1O ZINC000133098542 394943739 /nfs/dbraw/zinc/94/37/39/394943739.db2.gz AZHHGYTZJRCZFY-UHFFFAOYSA-N 1 0 297.395 2.276 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000133110725 394944280 /nfs/dbraw/zinc/94/42/80/394944280.db2.gz PEESGMKIUUGAGP-LLVKDONJSA-N 1 0 265.353 2.400 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000373152004 395056132 /nfs/dbraw/zinc/05/61/32/395056132.db2.gz IEDFCDHVYTXQLM-GOEBONIOSA-N 1 0 277.364 2.128 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@]2(CCOC2)O1 ZINC000373498535 395061712 /nfs/dbraw/zinc/06/17/12/395061712.db2.gz ZLLCVKPGRLYJJS-IAQYHMDHSA-N 1 0 297.782 2.425 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@]2(CCCOC2)O1 ZINC000373634446 395063831 /nfs/dbraw/zinc/06/38/31/395063831.db2.gz FAWQULBBIYKYFV-WBMJQRKESA-N 1 0 295.354 2.301 20 10 CECDRO COCC(C)(C)C[NH2+]Cc1cccc(OC)c1O ZINC000289455247 395077624 /nfs/dbraw/zinc/07/76/24/395077624.db2.gz NPWLZENYXIUPRO-UHFFFAOYSA-N 1 0 253.342 2.163 20 10 CECDRO CC(C)OC[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000372115620 395035436 /nfs/dbraw/zinc/03/54/36/395035436.db2.gz FFXPHKXUXMCRPJ-AWEZNQCLSA-N 1 0 265.353 2.018 20 10 CECDRO Cc1cc(C[N@@H+](CCO)C(C)C)ccc1N(C)C ZINC000293387259 395232478 /nfs/dbraw/zinc/23/24/78/395232478.db2.gz GREIEZMDYLODOE-UHFFFAOYSA-N 1 0 250.386 2.264 20 10 CECDRO OCC1([C@@H]([NH2+]Cc2ccccc2O)C2CC2)CCOCC1 ZINC000293518890 395237380 /nfs/dbraw/zinc/23/73/80/395237380.db2.gz AWTIVCZJLYDYNT-INIZCTEOSA-N 1 0 291.391 2.050 20 10 CECDRO COc1ccnc(N2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000179570101 395197104 /nfs/dbraw/zinc/19/71/04/395197104.db2.gz YBOACYYPLBSFEW-UHFFFAOYSA-N 1 0 299.374 2.118 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000183268476 395254655 /nfs/dbraw/zinc/25/46/55/395254655.db2.gz PLSJOIXVLIDQSR-UHFFFAOYSA-N 1 0 277.364 2.021 20 10 CECDRO CC[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(N(C)C)cc1 ZINC000183205574 395252803 /nfs/dbraw/zinc/25/28/03/395252803.db2.gz BGQGPAXHSKACEQ-AWEZNQCLSA-N 1 0 277.412 2.305 20 10 CECDRO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccccc1O ZINC000183395445 395256422 /nfs/dbraw/zinc/25/64/22/395256422.db2.gz VLMRWURCWWWPOM-NSHDSACASA-N 1 0 274.320 2.066 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc3n2CCCC3)c1 ZINC000183847630 395265495 /nfs/dbraw/zinc/26/54/95/395265495.db2.gz IFGINLCENNUGIM-GFCCVEGCSA-N 1 0 286.379 2.479 20 10 CECDRO CN(C)[C@@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCSC1 ZINC000297507183 395343544 /nfs/dbraw/zinc/34/35/44/395343544.db2.gz CIXRNGJQIVTLAC-XJKSGUPXSA-N 1 0 292.448 2.406 20 10 CECDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000193570407 395411031 /nfs/dbraw/zinc/41/10/31/395411031.db2.gz BZCXGRFCWDDKLE-OCZCAGDBSA-N 1 0 262.397 2.486 20 10 CECDRO CCN1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362683 173151431 /nfs/dbraw/zinc/15/14/31/173151431.db2.gz QGICMMRQJHPZSM-HNNXBMFYSA-N 1 0 260.381 2.195 20 10 CECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)O)c1O ZINC000186902139 260023495 /nfs/dbraw/zinc/02/34/95/260023495.db2.gz BNXUBZPGRKLIAA-RKDXNWHRSA-N 1 0 288.185 2.495 20 10 CECDRO CC(C)[N@H+](CCCO)Cc1ccc(N(C)C)cc1 ZINC000298705295 260161837 /nfs/dbraw/zinc/16/18/37/260161837.db2.gz ISMDGAYZGJDGOL-UHFFFAOYSA-N 1 0 250.386 2.345 20 10 CECDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(O)c1O ZINC000126211249 260346351 /nfs/dbraw/zinc/34/63/51/260346351.db2.gz BRDXEMKLDMDWTA-GFCCVEGCSA-N 1 0 294.395 2.338 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)c1 ZINC000128100209 260371608 /nfs/dbraw/zinc/37/16/08/260371608.db2.gz OMBBBZUMIWSVCO-HERUPUMHSA-N 1 0 265.353 2.211 20 10 CECDRO OC[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000153144813 261074329 /nfs/dbraw/zinc/07/43/29/261074329.db2.gz DJQHGGZADDOKKX-JNSHFYNHSA-N 1 0 261.365 2.262 20 10 CECDRO CCOc1cccc(C[N@H+](C)[C@@H]2CCOC2)c1O ZINC000156098779 261113696 /nfs/dbraw/zinc/11/36/96/261113696.db2.gz NEKPYIGRTVEYHA-GFCCVEGCSA-N 1 0 251.326 2.012 20 10 CECDRO CC(=O)N(C)C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000179877190 261821025 /nfs/dbraw/zinc/82/10/25/261821025.db2.gz AHMTXUHFSUPUSY-UHFFFAOYSA-N 1 0 276.380 2.143 20 10 CECDRO COCCOCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185136687 262043903 /nfs/dbraw/zinc/04/39/03/262043903.db2.gz BLERMLUSLCZAFE-SNVBAGLBSA-N 1 0 273.760 2.359 20 10 CECDRO COCCN1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185145268 262043938 /nfs/dbraw/zinc/04/39/38/262043938.db2.gz QUZCRKYCZXXKGQ-LBPRGKRZSA-N 1 0 296.386 2.293 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c1 ZINC000185504743 262056841 /nfs/dbraw/zinc/05/68/41/262056841.db2.gz GQSGABZFUCWGEE-CABCVRRESA-N 1 0 292.423 2.320 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)c1 ZINC000185673399 262065046 /nfs/dbraw/zinc/06/50/46/262065046.db2.gz CFPTUJKDTYMSCH-MBNYWOFBSA-N 1 0 295.379 2.245 20 10 CECDRO C[NH+](C)CC[C@H](NC(=O)c1cccc(O)c1O)C(C)(C)C ZINC000185673203 262065242 /nfs/dbraw/zinc/06/52/42/262065242.db2.gz VLOFCFYXPPMZNM-ZDUSSCGKSA-N 1 0 294.395 2.194 20 10 CECDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185674113 262065907 /nfs/dbraw/zinc/06/59/07/262065907.db2.gz YSKWLTZHDGPNJF-GMXVVIOVSA-N 1 0 283.343 2.376 20 10 CECDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccccc2O)C1(C)C ZINC000186597718 262101572 /nfs/dbraw/zinc/10/15/72/262101572.db2.gz JFUAXCZFDKHORA-GDBMZVCRSA-N 1 0 279.380 2.048 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291227290 263121007 /nfs/dbraw/zinc/12/10/07/263121007.db2.gz KAXOFKFKYQVQID-ZDUSSCGKSA-N 1 0 284.350 2.202 20 10 CECDRO CCNC(=O)[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)C(C)C ZINC000292920171 263136608 /nfs/dbraw/zinc/13/66/08/263136608.db2.gz IDWAUHQYIZSSRO-HNNXBMFYSA-N 1 0 278.396 2.259 20 10 CECDRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1ccc(F)c(F)c1[O-] ZINC000293741347 263148784 /nfs/dbraw/zinc/14/87/84/263148784.db2.gz PFRSFEIKXLXHCP-VIFPVBQESA-N 1 0 296.321 2.082 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1cc(F)ccc1O ZINC000367439291 267089819 /nfs/dbraw/zinc/08/98/19/267089819.db2.gz SUJSMJIWSNDOLB-LUFJJVMOSA-N 1 0 292.354 2.239 20 10 CECDRO COc1ccc(O)c([C@@H](C)[N@H+](C)[C@H]2CCCCNC2=O)c1 ZINC000368015243 267135036 /nfs/dbraw/zinc/13/50/36/267135036.db2.gz CIUAWWBWTXQVNR-RISCZKNCSA-N 1 0 292.379 2.062 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000369925698 267276993 /nfs/dbraw/zinc/27/69/93/267276993.db2.gz XBGSCINSGFVKPA-TZMCWYRMSA-N 1 0 272.352 2.382 20 10 CECDRO Nc1ccc(CC(=O)N2CCCc3cc(C[NH3+])ccc32)cc1 ZINC000371281912 267380724 /nfs/dbraw/zinc/38/07/24/267380724.db2.gz FCVJZKSBWXYXTB-UHFFFAOYSA-N 1 0 295.386 2.249 20 10 CECDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1O ZINC000299467896 278252909 /nfs/dbraw/zinc/25/29/09/278252909.db2.gz BYCWOZRMOJUODM-ZDUSSCGKSA-N 1 0 291.395 2.066 20 10 CECDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617554 289754010 /nfs/dbraw/zinc/75/40/10/289754010.db2.gz OTZZSGFVYDPKCF-MNOVXSKESA-N 1 0 263.316 2.467 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cc(Cl)ccc1O ZINC000527951509 297766809 /nfs/dbraw/zinc/76/68/09/297766809.db2.gz BSVLTYWCFHDANH-HERUPUMHSA-N 1 0 285.771 2.236 20 10 CECDRO CCOCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000161878886 327686908 /nfs/dbraw/zinc/68/69/08/327686908.db2.gz GKMLSVBVAYJOAC-CQSZACIVSA-N 1 0 278.396 2.210 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c(O)c1 ZINC000185376239 327839291 /nfs/dbraw/zinc/83/92/91/327839291.db2.gz SJIQATRQJDQFLV-RBSFLKMASA-N 1 0 292.423 2.460 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCSCCCO)c(O)c1 ZINC000185378989 327839531 /nfs/dbraw/zinc/83/95/31/327839531.db2.gz MUAZMMMKOHOBDH-GFCCVEGCSA-N 1 0 269.410 2.467 20 10 CECDRO CC[C@@H]([NH2+]CC(=O)N(C)CC)c1ccc(N(C)C)cc1 ZINC000186813471 327854716 /nfs/dbraw/zinc/85/47/16/327854716.db2.gz YDOMKUCUTWKHJW-OAHLLOKOSA-N 1 0 277.412 2.272 20 10 CECDRO C[NH+](C)Cc1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000237057080 328004477 /nfs/dbraw/zinc/00/44/77/328004477.db2.gz YBVVROULYHNOMD-UHFFFAOYSA-N 1 0 297.402 2.189 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccccc1O)[C@H](O)C(F)(F)F ZINC000270973769 328194292 /nfs/dbraw/zinc/19/42/92/328194292.db2.gz KHRBLDQIFGBKJI-KOLCDFICSA-N 1 0 263.259 2.184 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000271842464 328197843 /nfs/dbraw/zinc/19/78/43/328197843.db2.gz RDZBTHDBFOTLBM-VXGBXAGGSA-N 1 0 265.353 2.306 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000090738777 327181113 /nfs/dbraw/zinc/18/11/13/327181113.db2.gz DWSZPYLZQHMDEK-SKDRFNHKSA-N 1 0 255.745 2.296 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccccc1O ZINC000377409038 329014561 /nfs/dbraw/zinc/01/45/61/329014561.db2.gz HIJMHBPETGSBGM-MNOVXSKESA-N 1 0 257.337 2.323 20 10 CECDRO Cc1n[nH]c(C2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000378370434 329047878 /nfs/dbraw/zinc/04/78/78/329047878.db2.gz NUMYATBEJXPMIU-UHFFFAOYSA-N 1 0 272.352 2.198 20 10 CECDRO OC[C@H]1CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000378500348 329053098 /nfs/dbraw/zinc/05/30/98/329053098.db2.gz UFUZHZQAKWSWPX-NSHDSACASA-N 1 0 253.317 2.126 20 10 CECDRO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000179488252 329209180 /nfs/dbraw/zinc/20/91/80/329209180.db2.gz JFCXRGTWHOJLSZ-ZDUSSCGKSA-N 1 0 294.782 2.289 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CC2COC2)c2c1c(F)ccc2O ZINC000528027481 330305113 /nfs/dbraw/zinc/30/51/13/330305113.db2.gz UHEQOVOCMINOIV-GZMMTYOYSA-N 1 0 251.301 2.316 20 10 CECDRO CCC(CC)[C@@H](O)C[NH2+]Cc1cccc(OC)c1O ZINC000225818827 333241232 /nfs/dbraw/zinc/24/12/32/333241232.db2.gz RYYGXGNVFDYTBX-ZDUSSCGKSA-N 1 0 267.369 2.288 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1O ZINC000245930787 334224622 /nfs/dbraw/zinc/22/46/22/334224622.db2.gz PIXTUTQAJVVZTB-NEPJUHHUSA-N 1 0 265.353 2.400 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000252758308 334390536 /nfs/dbraw/zinc/39/05/36/334390536.db2.gz BHUKWSKFUJVWCW-ZDUSSCGKSA-N 1 0 264.344 2.201 20 10 CECDRO CCOCC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000293079504 521670672 /nfs/dbraw/zinc/67/06/72/521670672.db2.gz WDYDYLPDSISAKT-UHFFFAOYSA-N 1 0 267.325 2.026 20 10 CECDRO CCNC(=O)C[N@H+](CC)Cc1ccc(N(C)C)c(C)c1 ZINC000293529166 521736589 /nfs/dbraw/zinc/73/65/89/521736589.db2.gz PHHFPRBBFLSXQI-UHFFFAOYSA-N 1 0 277.412 2.019 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2CO)c1O ZINC000050152210 518285311 /nfs/dbraw/zinc/28/53/11/518285311.db2.gz JWRQGFYTPPBHKA-ZDUSSCGKSA-N 1 0 281.327 2.081 20 10 CECDRO CC(C)[N@H+](CCO)Cc1cc(Br)ccc1O ZINC000128042174 519649395 /nfs/dbraw/zinc/64/93/95/519649395.db2.gz DVPDIUDQTJNEBR-UHFFFAOYSA-N 1 0 288.185 2.357 20 10 CECDRO CCCOc1ccc(C[N@@H+]2C[C@H](F)C[C@@H]2CO)c(O)c1 ZINC000364846786 520351428 /nfs/dbraw/zinc/35/14/28/520351428.db2.gz VINMQWFNWNCMAE-CHWSQXEVSA-N 1 0 283.343 2.086 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@H]2CCCO2)c(O)c1 ZINC000101588943 520370209 /nfs/dbraw/zinc/37/02/09/520370209.db2.gz LPTUQFWBQCNUJY-CQSZACIVSA-N 1 0 265.353 2.450 20 10 CECDRO CCN(CC)[C@H](C)C[NH2+]Cc1cccc(OC)c1O ZINC000236870284 520860278 /nfs/dbraw/zinc/86/02/78/520860278.db2.gz JNEVOCWZAPYLPZ-GFCCVEGCSA-N 1 0 266.385 2.221 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CC)OC)c1 ZINC000289696045 521150074 /nfs/dbraw/zinc/15/00/74/521150074.db2.gz DKHLURQDLYGJMQ-GFCCVEGCSA-N 1 0 253.342 2.306 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000126447722 521152890 /nfs/dbraw/zinc/15/28/90/521152890.db2.gz ZJTGLHMHZCSTSR-HIFRSBDPSA-N 1 0 289.423 2.414 20 10 CECDRO CCCN(CCC)c1ccc(C[NH2+][C@H](CO)COC)cc1 ZINC000279927613 521650982 /nfs/dbraw/zinc/65/09/82/521650982.db2.gz XWGCVQYOUNABEJ-MRXNPFEDSA-N 1 0 294.439 2.410 20 10 CECDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000228099017 521773941 /nfs/dbraw/zinc/77/39/41/521773941.db2.gz APZDCLCAEZMJFS-CQSZACIVSA-N 1 0 282.771 2.004 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CC(C)(C)O)cc1F ZINC000126392270 522169647 /nfs/dbraw/zinc/16/96/47/522169647.db2.gz HFWSVPTVOOSKRI-UHFFFAOYSA-N 1 0 254.349 2.094 20 10 CECDRO CN(C)c1ccc(CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000040825861 522184081 /nfs/dbraw/zinc/18/40/81/522184081.db2.gz HKXWQOFOVOLXJF-UHFFFAOYSA-N 1 0 275.396 2.030 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)cc1 ZINC000237089609 522208377 /nfs/dbraw/zinc/20/83/77/522208377.db2.gz RDAJXPBYCSUSOQ-GOSISDBHSA-N 1 0 284.403 2.446 20 10 CECDRO COc1cc(Cl)cc(CN(C)CC[NH+](C)C)c1O ZINC000229120898 522537244 /nfs/dbraw/zinc/53/72/44/522537244.db2.gz ZJSPZCZGLSEEIL-UHFFFAOYSA-N 1 0 272.776 2.048 20 10 CECDRO COC(=O)CC1([NH2+]Cc2cc(F)ccc2O)CCCC1 ZINC000279599242 522933235 /nfs/dbraw/zinc/93/32/35/522933235.db2.gz DHQQSFWISCNUNF-UHFFFAOYSA-N 1 0 281.327 2.497 20 10 CECDRO C[N@H+](Cc1c(O)cccc1Cl)CC1(CO)CC1 ZINC000275697812 523156578 /nfs/dbraw/zinc/15/65/78/523156578.db2.gz BGYNTFAAMNKRQE-UHFFFAOYSA-N 1 0 255.745 2.250 20 10 CECDRO COCCOCCC[NH2+]Cc1c(O)cccc1Cl ZINC000083551601 523997423 /nfs/dbraw/zinc/99/74/23/523997423.db2.gz UZXRBTBPVHTKTN-UHFFFAOYSA-N 1 0 273.760 2.188 20 10 CECDRO C[C@@H](C(=O)NCCc1ccc(N)cc1)[C@H]([NH3+])c1ccccc1 ZINC000262583170 524191307 /nfs/dbraw/zinc/19/13/07/524191307.db2.gz RJMFASYWBCUFBX-DYVFJYSZSA-N 1 0 297.402 2.264 20 10 CECDRO C[C@@H](CCO)[NH2+]Cc1cc(Br)ccc1O ZINC000164216547 524516053 /nfs/dbraw/zinc/51/60/53/524516053.db2.gz GJMNNYUDTVOGQH-QMMMGPOBSA-N 1 0 274.158 2.015 20 10 CECDRO C[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279935112 524564871 /nfs/dbraw/zinc/56/48/71/524564871.db2.gz NIVZUYFSYIQLNB-SECBINFHSA-N 1 0 276.302 2.242 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(C)COC2)c1 ZINC000094721664 524759652 /nfs/dbraw/zinc/75/96/52/524759652.db2.gz SZSJVBQYBMCELT-SNVBAGLBSA-N 1 0 251.326 2.088 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cc(F)ccc1O ZINC000189299910 525395312 /nfs/dbraw/zinc/39/53/12/525395312.db2.gz QEFPFYJKQCYOSA-UMNHJUIQSA-N 1 0 253.317 2.343 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c(O)c1C ZINC000278866541 525924936 /nfs/dbraw/zinc/92/49/36/525924936.db2.gz RODYTVFOEVUZMX-WOSRLPQWSA-N 1 0 279.380 2.200 20 10 CECDRO OCCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264647751 527537534 /nfs/dbraw/zinc/53/75/34/527537534.db2.gz ZFCCZHPEUDGWTC-HNNXBMFYSA-N 1 0 279.380 2.146 20 10 CECDRO C[N@H+](Cc1c(O)ccc2ccncc21)[C@@H]1CCOC1 ZINC000730260250 574512466 /nfs/dbraw/zinc/51/24/66/574512466.db2.gz MUXNPCSMLMRHPG-GFCCVEGCSA-N 1 0 258.321 2.161 20 10 CECDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1=CC(=O)CS1 ZINC000732258615 574616084 /nfs/dbraw/zinc/61/60/84/574616084.db2.gz WPTLFHYMERLBPH-LLVKDONJSA-N 1 0 282.409 2.448 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)C2CC2)cc1F ZINC000733326504 574664463 /nfs/dbraw/zinc/66/44/63/574664463.db2.gz HEHOPIVUPDPNSD-OAHLLOKOSA-N 1 0 266.360 2.142 20 10 CECDRO C[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756572655 574821243 /nfs/dbraw/zinc/82/12/43/574821243.db2.gz NHYWLOHTPRVLCN-WCABBAIRSA-N 1 0 253.317 2.440 20 10 CECDRO NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000738440630 574863367 /nfs/dbraw/zinc/86/33/67/574863367.db2.gz WIDGGXFAZGALBO-VHSXEESVSA-N 1 0 282.771 2.179 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(C)C2)cc1F ZINC000740004438 574938725 /nfs/dbraw/zinc/93/87/25/574938725.db2.gz NDZBNFYQFBLQQF-AWEZNQCLSA-N 1 0 279.403 2.466 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)CC(=O)N(CC)CC)cc1 ZINC000741753168 574996456 /nfs/dbraw/zinc/99/64/56/574996456.db2.gz QNSLYVGSMNGHAO-UHFFFAOYSA-N 1 0 291.439 2.443 20 10 CECDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cccc(OC)c1O ZINC000743499641 575105584 /nfs/dbraw/zinc/10/55/84/575105584.db2.gz LKMNZKXEPWSJTC-YPMHNXCESA-N 1 0 267.369 2.288 20 10 CECDRO C[C@H]1CCN(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000744449689 575121494 /nfs/dbraw/zinc/12/14/94/575121494.db2.gz BQQHCRFBVKCPHA-ZDUSSCGKSA-N 1 0 279.403 2.323 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H](O)c2ccco2)c(O)c1 ZINC000747098919 575167149 /nfs/dbraw/zinc/16/71/49/575167149.db2.gz HLYHHLHHFPDFDK-AWEZNQCLSA-N 1 0 277.320 2.207 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]Cc2cnnn2C)cc1F ZINC000751146952 575283473 /nfs/dbraw/zinc/28/34/73/575283473.db2.gz NLTFGKGVLDYKKC-UHFFFAOYSA-N 1 0 291.374 2.090 20 10 CECDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(OCC)cc1O ZINC000751501881 575290760 /nfs/dbraw/zinc/29/07/60/575290760.db2.gz RUGUGPNTUNLLHX-OAHLLOKOSA-N 1 0 267.369 2.432 20 10 CECDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000120661863 622784363 /nfs/dbraw/zinc/78/43/63/622784363.db2.gz BJGJBIZRFAJNOX-SNVBAGLBSA-N 1 0 282.771 2.276 20 10 CECDRO C[NH+](C)C1(C(=O)NCc2cccc(Cl)c2O)CCC1 ZINC000890760573 622931926 /nfs/dbraw/zinc/93/19/26/622931926.db2.gz UCTFEHAZGKBAOI-UHFFFAOYSA-N 1 0 282.771 2.146 20 10 CECDRO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[NH+](C)C ZINC000120985304 623083746 /nfs/dbraw/zinc/08/37/46/623083746.db2.gz UYNNAVXSIWQYFR-UHFFFAOYSA-N 1 0 291.420 2.447 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]([NH3+])C2)c1O ZINC000050149793 623333733 /nfs/dbraw/zinc/33/37/33/623333733.db2.gz UJQQHOBUXXAGQK-GFCCVEGCSA-N 1 0 282.771 2.171 20 10 CECDRO COc1ccc(C[NH+]2CCC(OC)CC2)c(O)c1OC ZINC000891536795 623771793 /nfs/dbraw/zinc/77/17/93/623771793.db2.gz NSSHRHLCXJKPBN-UHFFFAOYSA-N 1 0 281.352 2.020 20 10 CECDRO COCCC[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092537173 624097221 /nfs/dbraw/zinc/09/72/21/624097221.db2.gz SFZANRRFKXWBLC-UHFFFAOYSA-N 1 0 296.386 2.131 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)c(O)c1OC ZINC000891948691 624133362 /nfs/dbraw/zinc/13/33/62/624133362.db2.gz VYPIDFBFBIRAER-LBPRGKRZSA-N 1 0 295.379 2.004 20 10 CECDRO [NH3+]C1(CNC(=O)N2Cc3cccc(O)c3C2)CCCCC1 ZINC000891977025 624220894 /nfs/dbraw/zinc/22/08/94/624220894.db2.gz HVKZCVVBHKLOOA-UHFFFAOYSA-N 1 0 289.379 2.079 20 10 CECDRO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000045072330 624484756 /nfs/dbraw/zinc/48/47/56/624484756.db2.gz VNSMIVMQDKBLQZ-GFCCVEGCSA-N 1 0 264.369 2.268 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)cc1C ZINC000066080672 625762629 /nfs/dbraw/zinc/76/26/29/625762629.db2.gz JTSQYPFAAJYQKF-AWEZNQCLSA-N 1 0 290.407 2.487 20 10 CECDRO COCC[C@H](COC)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000311741990 627695193 /nfs/dbraw/zinc/69/51/93/627695193.db2.gz BKIAIBGGXITVES-ZYHUDNBSSA-N 1 0 271.332 2.233 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@H]([NH+](C)C)[C@H]2C)c1O ZINC000314399510 627927193 /nfs/dbraw/zinc/92/71/93/627927193.db2.gz XASFWSBKQGRZTI-BMIGLBTASA-N 1 0 294.370 2.258 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCON)c1O ZINC000902416139 634642618 /nfs/dbraw/zinc/64/26/18/634642618.db2.gz SQUACBRQZYXLDS-SECBINFHSA-N 1 0 258.749 2.285 20 10 CECDRO CC[C@@H]([NH2+]CCCON)c1cc(Cl)ccc1O ZINC000902426127 634648112 /nfs/dbraw/zinc/64/81/12/634648112.db2.gz RDECFABIKKPIMB-LLVKDONJSA-N 1 0 258.749 2.367 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CC(F)(F)F)c1 ZINC000189844367 628321002 /nfs/dbraw/zinc/32/10/02/628321002.db2.gz RNHRFGMFGIKZSJ-BDAKNGLRSA-N 1 0 293.285 2.365 20 10 CECDRO COc1ccc(C[NH2+]CC[C@H]2CCCCO2)c(O)c1OC ZINC000893479547 628645388 /nfs/dbraw/zinc/64/53/88/628645388.db2.gz SULMMIWAPVYVFT-CYBMUJFWSA-N 1 0 295.379 2.458 20 10 CECDRO COc1ccc(C[N@H+]2CCC[C@@H](OC)CC2)c(O)c1OC ZINC000893512731 628667574 /nfs/dbraw/zinc/66/75/74/628667574.db2.gz WYOAKJBTSRGZEP-CYBMUJFWSA-N 1 0 295.379 2.410 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C(C)(C)CCO ZINC000840934748 628751553 /nfs/dbraw/zinc/75/15/53/628751553.db2.gz WTHNPUHJXHKOGV-UHFFFAOYSA-N 1 0 250.386 2.312 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000840937114 628754816 /nfs/dbraw/zinc/75/48/16/628754816.db2.gz HRKOTJYQLQJAOK-UHFFFAOYSA-N 1 0 298.390 2.115 20 10 CECDRO [NH3+]Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000258899039 628782549 /nfs/dbraw/zinc/78/25/49/628782549.db2.gz DFOJFFNKSYQKQD-UHFFFAOYSA-N 1 0 268.360 2.370 20 10 CECDRO COCC[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840948519 628837175 /nfs/dbraw/zinc/83/71/75/628837175.db2.gz UZFAGIZYWPKYPV-KRWDZBQOSA-N 1 0 292.423 2.298 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c(O)c1OC ZINC000893721548 628987703 /nfs/dbraw/zinc/98/77/03/628987703.db2.gz SVWPEPUMAUCUKR-YPMHNXCESA-N 1 0 295.379 2.050 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H](OC)C(C)C)c1O ZINC000894309449 629335404 /nfs/dbraw/zinc/33/54/04/629335404.db2.gz YMVUREOZMXERJS-CQSZACIVSA-N 1 0 267.369 2.470 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2ccn(C)c2)c1O ZINC000894322758 629353765 /nfs/dbraw/zinc/35/37/65/629353765.db2.gz DEVBNBVXLVMVFD-UHFFFAOYSA-N 1 0 260.337 2.338 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCOCC2)c1O ZINC000894374255 629405063 /nfs/dbraw/zinc/40/50/63/629405063.db2.gz GGDPAZOWTIHDBN-CYBMUJFWSA-N 1 0 265.353 2.368 20 10 CECDRO CC[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@H](O)C(F)(F)F ZINC000894494038 629495599 /nfs/dbraw/zinc/49/55/99/629495599.db2.gz LOMLRBGWCFTJSM-JTQLQIEISA-N 1 0 299.239 2.416 20 10 CECDRO CC[C@@]1([NH2+]Cc2cc(C)cc(OC)c2O)CCOC1 ZINC000894551449 629530449 /nfs/dbraw/zinc/53/04/49/629530449.db2.gz WRUIUIBZQRSDOA-OAHLLOKOSA-N 1 0 265.353 2.368 20 10 CECDRO COC[C@]1(C)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894673037 629583247 /nfs/dbraw/zinc/58/32/47/629583247.db2.gz XWBLXUOWBXRQIT-MRXNPFEDSA-N 1 0 295.379 2.268 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)CC(C)(C)CO)c1O ZINC000894880361 629714060 /nfs/dbraw/zinc/71/40/60/629714060.db2.gz GQJLPKFBLVIEFL-UHFFFAOYSA-N 1 0 267.369 2.160 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c1O ZINC000894970182 629773553 /nfs/dbraw/zinc/77/35/53/629773553.db2.gz SRWXVRNMKZFRGN-DGCLKSJQSA-N 1 0 265.353 2.366 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1O ZINC000894986628 629785262 /nfs/dbraw/zinc/78/52/62/629785262.db2.gz ZDQCQYWWZLWBQP-OCCSQVGLSA-N 1 0 277.364 2.320 20 10 CECDRO COc1cccc(C[NH2+]Cc2cnn3ccccc23)c1O ZINC000796479306 629916573 /nfs/dbraw/zinc/91/65/73/629916573.db2.gz CYJVDWMFZMDREN-UHFFFAOYSA-N 1 0 283.331 2.338 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2ccccc2c1O)C1N=NC(=O)N1C ZINC000895173847 630001218 /nfs/dbraw/zinc/00/12/18/630001218.db2.gz CCRDHBHBTLKNNC-JTQLQIEISA-N 1 0 298.346 2.230 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCC[C@H]2O)c1O ZINC000895225952 630045095 /nfs/dbraw/zinc/04/50/95/630045095.db2.gz MPSDUUXSJXTNQV-CHWSQXEVSA-N 1 0 265.353 2.102 20 10 CECDRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc(N(C)C)cc1 ZINC000797032011 630109434 /nfs/dbraw/zinc/10/94/34/630109434.db2.gz MNAPXJALMTZMNM-CQSZACIVSA-N 1 0 292.423 2.335 20 10 CECDRO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000895437219 630189476 /nfs/dbraw/zinc/18/94/76/630189476.db2.gz JGTGRPCBRQLDEI-CYBMUJFWSA-N 1 0 298.333 2.161 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2C=CCC2)cc1OC ZINC000895528649 630235190 /nfs/dbraw/zinc/23/51/90/630235190.db2.gz YYJWIVNABBQKSM-LLVKDONJSA-N 1 0 263.337 2.465 20 10 CECDRO FC[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895575932 630255919 /nfs/dbraw/zinc/25/59/19/630255919.db2.gz WEDRBWMNRKJBQZ-CQSZACIVSA-N 1 0 296.361 2.454 20 10 CECDRO FC[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000895575360 630256051 /nfs/dbraw/zinc/25/60/51/630256051.db2.gz SAKYXUMKHPWKBY-HNNXBMFYSA-N 1 0 278.371 2.315 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000895646668 630282530 /nfs/dbraw/zinc/28/25/30/630282530.db2.gz HSZSRCYAYVIJLF-HOCLYGCPSA-N 1 0 260.381 2.099 20 10 CECDRO CCN1CC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000895672625 630300721 /nfs/dbraw/zinc/30/07/21/630300721.db2.gz WGGKCASMGPNITC-SNVBAGLBSA-N 1 0 272.751 2.369 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)c1 ZINC000895923621 630404863 /nfs/dbraw/zinc/40/48/63/630404863.db2.gz XOCLTXMALAQZRI-FRRDWIJNSA-N 1 0 276.380 2.140 20 10 CECDRO Cc1ccc(C[N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)c(O)c1 ZINC000895923588 630404967 /nfs/dbraw/zinc/40/49/67/630404967.db2.gz WZKKJAPNBFMTAW-FRRDWIJNSA-N 1 0 276.380 2.140 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000896626946 630615935 /nfs/dbraw/zinc/61/59/35/630615935.db2.gz DIBFZZXAOSEABE-UHFFFAOYSA-N 1 0 291.391 2.112 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1O ZINC000896848551 630689413 /nfs/dbraw/zinc/68/94/13/630689413.db2.gz OSVAFXBHVWDYBC-CFVMTHIKSA-N 1 0 289.375 2.390 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCO[C@@H]2CCOC2)cc1Cl ZINC000897201729 630986984 /nfs/dbraw/zinc/98/69/84/630986984.db2.gz MDUJWJFMUGDWQR-GFCCVEGCSA-N 1 0 285.771 2.249 20 10 CECDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000801734839 631313432 /nfs/dbraw/zinc/31/34/32/631313432.db2.gz KSQYYTAOKLIAFB-LBPRGKRZSA-N 1 0 282.771 2.192 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1F ZINC000801734306 631313493 /nfs/dbraw/zinc/31/34/93/631313493.db2.gz DECJZMBIQISTFM-AWEZNQCLSA-N 1 0 293.386 2.039 20 10 CECDRO CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC000987676480 631444044 /nfs/dbraw/zinc/44/40/44/631444044.db2.gz ZTBSDMGQWWSTNG-ZFWWWQNUSA-N 1 0 290.407 2.493 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2(C3(O)CCC3)CC2)c1 ZINC000897529284 631666417 /nfs/dbraw/zinc/66/64/17/631666417.db2.gz ZEVARRNDQONGJS-UHFFFAOYSA-N 1 0 277.364 2.186 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CCN(C)C)c2c1c(F)ccc2O ZINC000806171460 631723948 /nfs/dbraw/zinc/72/39/48/631723948.db2.gz JMXXIMDYWSHNHI-GXSJLCMTSA-N 1 0 252.333 2.231 20 10 CECDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000843120075 631728829 /nfs/dbraw/zinc/72/88/29/631728829.db2.gz UKUVOLBLIZZSTL-NWDGAFQWSA-N 1 0 265.376 2.074 20 10 CECDRO C[C@@H]1C[C@H](CN(C)c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000841012034 631740809 /nfs/dbraw/zinc/74/08/09/631740809.db2.gz WTDOSXYOOSPKES-VXGBXAGGSA-N 1 0 262.353 2.240 20 10 CECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841034457 631840787 /nfs/dbraw/zinc/84/07/87/631840787.db2.gz BLBIYADAKLRTDH-SECBINFHSA-N 1 0 272.751 2.274 20 10 CECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841034463 631841360 /nfs/dbraw/zinc/84/13/60/631841360.db2.gz BLBIYADAKLRTDH-VIFPVBQESA-N 1 0 272.751 2.274 20 10 CECDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C1=CC(=O)CS1 ZINC000807776955 631870182 /nfs/dbraw/zinc/87/01/82/631870182.db2.gz JILBXJLCAOGLTH-ZYHUDNBSSA-N 1 0 280.393 2.153 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)c1O ZINC000808703596 632002823 /nfs/dbraw/zinc/00/28/23/632002823.db2.gz PCDWQEKDINWNNQ-DTWKUNHWSA-N 1 0 270.760 2.269 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CO)COC2)c1O ZINC000808708025 632003380 /nfs/dbraw/zinc/00/33/80/632003380.db2.gz FMLPNCVIAODTHN-JTQLQIEISA-N 1 0 285.771 2.014 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C2CC(CCO)C2)cc1F ZINC000898016158 632015557 /nfs/dbraw/zinc/01/55/57/632015557.db2.gz YRAPUPPTHMANLU-UHFFFAOYSA-N 1 0 284.350 2.281 20 10 CECDRO CCOc1ccc(C[NH2+]CC[C@@H](O)C2CC2)c(O)c1 ZINC000898206837 632087380 /nfs/dbraw/zinc/08/73/80/632087380.db2.gz WXCSHLPVGQXWNS-CQSZACIVSA-N 1 0 265.353 2.042 20 10 CECDRO Cc1cccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)c1O ZINC000809751621 632140965 /nfs/dbraw/zinc/14/09/65/632140965.db2.gz UKNYGRWWJTYNSS-SNVBAGLBSA-N 1 0 263.259 2.056 20 10 CECDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000809779105 632144922 /nfs/dbraw/zinc/14/49/22/632144922.db2.gz DJDPQLIZZYWPSN-ZDUSSCGKSA-N 1 0 278.352 2.103 20 10 CECDRO Cn1ncc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000809945915 632159520 /nfs/dbraw/zinc/15/95/20/632159520.db2.gz HFNZCTWZKUUDRR-UHFFFAOYSA-N 1 0 286.379 2.466 20 10 CECDRO CSCC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000898305780 632163461 /nfs/dbraw/zinc/16/34/61/632163461.db2.gz RLSPQFZNKSVZOP-UHFFFAOYSA-N 1 0 269.366 2.352 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H](CC)OC)c(O)c1 ZINC000810176839 632191586 /nfs/dbraw/zinc/19/15/86/632191586.db2.gz ZJLXULBVUMUIHY-GFCCVEGCSA-N 1 0 253.342 2.306 20 10 CECDRO CN(C)c1ccc(CNC(=O)CC[NH2+]C(C)(C)C)cc1 ZINC000040825935 632354431 /nfs/dbraw/zinc/35/44/31/632354431.db2.gz ODWFNARGLDXBHX-UHFFFAOYSA-N 1 0 277.412 2.147 20 10 CECDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1[O-] ZINC000841056757 632359435 /nfs/dbraw/zinc/35/94/35/632359435.db2.gz DBVJOVDXBXIJNY-LLVKDONJSA-N 1 0 299.758 2.186 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1 ZINC000898384988 632476470 /nfs/dbraw/zinc/47/64/70/632476470.db2.gz AUVMYSJPBARROU-HOTGVXAUSA-N 1 0 260.381 2.267 20 10 CECDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000812387881 632521696 /nfs/dbraw/zinc/52/16/96/632521696.db2.gz UHWOCPVEMUIMAL-SNVBAGLBSA-N 1 0 270.398 2.304 20 10 CECDRO Cc1cc(C[N@H+](C)CC(=O)N2CCCC2)ccc1N(C)C ZINC000815008927 632949720 /nfs/dbraw/zinc/94/97/20/632949720.db2.gz TXOOARQVHMIFSM-UHFFFAOYSA-N 1 0 289.423 2.115 20 10 CECDRO COC(=O)C[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC000815089926 632957091 /nfs/dbraw/zinc/95/70/91/632957091.db2.gz SFFZVCBQBOKRBK-HNNXBMFYSA-N 1 0 290.407 2.492 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)cc1 ZINC000815106418 632960712 /nfs/dbraw/zinc/96/07/12/632960712.db2.gz ULNGXPYDTAFYEG-PBHICJAKSA-N 1 0 292.423 2.114 20 10 CECDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(OCC)cc1O)C(C)C ZINC000815144510 632970500 /nfs/dbraw/zinc/97/05/00/632970500.db2.gz FWSNWNTXYOTWNO-HNNXBMFYSA-N 1 0 294.395 2.041 20 10 CECDRO CNC(=O)CC[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816502670 633402524 /nfs/dbraw/zinc/40/25/24/633402524.db2.gz LBJWPNCERHZWJC-UHFFFAOYSA-N 1 0 272.348 2.113 20 10 CECDRO COCC[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816549859 633411020 /nfs/dbraw/zinc/41/10/20/633411020.db2.gz ALIFXXCIGVTCPX-KRWDZBQOSA-N 1 0 289.375 2.423 20 10 CECDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816597408 633419745 /nfs/dbraw/zinc/41/97/45/633419745.db2.gz QOBNTQLZDWPJMR-QGZVFWFLSA-N 1 0 284.359 2.243 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000816630853 633453283 /nfs/dbraw/zinc/45/32/83/633453283.db2.gz UWLBWIKXQKBSOJ-HNNXBMFYSA-N 1 0 277.364 2.280 20 10 CECDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1cc[nH]c(=O)c1 ZINC000816639049 633454309 /nfs/dbraw/zinc/45/43/09/633454309.db2.gz GBBJRDMSYNQWNM-VIFPVBQESA-N 1 0 262.284 2.483 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1 ZINC000817412921 633652522 /nfs/dbraw/zinc/65/25/22/633652522.db2.gz QZCRPWYOCPIYDS-OLZOCXBDSA-N 1 0 279.380 2.241 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C[C@H](O)CO)C(C)C)cc1 ZINC000817417484 633656501 /nfs/dbraw/zinc/65/65/01/633656501.db2.gz HOTPLOKSHQZWQY-KRWDZBQOSA-N 1 0 294.439 2.096 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c(O)c1C ZINC000817585790 633701781 /nfs/dbraw/zinc/70/17/81/633701781.db2.gz IABJJIXBBCILIE-LBPRGKRZSA-N 1 0 276.380 2.315 20 10 CECDRO [NH3+][C@H]1CCC[C@@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000817887737 633751329 /nfs/dbraw/zinc/75/13/29/633751329.db2.gz DIRASLLKDDEQEU-HOTGVXAUSA-N 1 0 291.464 2.209 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000817895038 633756503 /nfs/dbraw/zinc/75/65/03/633756503.db2.gz SZDASKODWMCHAM-CZUORRHYSA-N 1 0 261.413 2.291 20 10 CECDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817941820 633789587 /nfs/dbraw/zinc/78/95/87/633789587.db2.gz LBOKTBOSLFEVOX-CXAGYDPISA-N 1 0 284.407 2.498 20 10 CECDRO Cc1n[nH]cc1[C@@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817941394 633789911 /nfs/dbraw/zinc/78/99/11/633789911.db2.gz JQKHDWZPNKNUTB-BDJLRTHQSA-N 1 0 287.411 2.135 20 10 CECDRO CC[NH2+]CCN[C@@H](C)c1ccc(Br)cc1O ZINC000817951976 633795589 /nfs/dbraw/zinc/79/55/89/633795589.db2.gz MBZVARDEHAAEEN-VIFPVBQESA-N 1 0 287.201 2.415 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1[O-] ZINC000817970509 633813232 /nfs/dbraw/zinc/81/32/32/633813232.db2.gz XTVNDIYGVURCKF-WCQGTBRESA-N 1 0 252.333 2.452 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccccc1O ZINC000817975811 633818209 /nfs/dbraw/zinc/81/82/09/633818209.db2.gz CHJQIYDWUOIKKX-GVXVVHGQSA-N 1 0 252.333 2.133 20 10 CECDRO NC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCCC1 ZINC000817981688 633825195 /nfs/dbraw/zinc/82/51/95/633825195.db2.gz MPTMIPQYBZEZLJ-KGLIPLIRSA-N 1 0 260.381 2.487 20 10 CECDRO C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817984973 633828692 /nfs/dbraw/zinc/82/86/92/633828692.db2.gz DDYGTZUASMTIRI-NSHDSACASA-N 1 0 291.351 2.261 20 10 CECDRO C[C@H]1CC2(C[N@@H+]1Cc1cccc(F)c1[O-])CC[NH2+]CC2 ZINC000818431916 633921265 /nfs/dbraw/zinc/92/12/65/633921265.db2.gz VYNQEVUSPABINL-LBPRGKRZSA-N 1 0 278.371 2.495 20 10 CECDRO OC1(C[NH2+]Cc2ccc(N3CC=CC3)cc2)CCC1 ZINC000819095018 634065696 /nfs/dbraw/zinc/06/56/96/634065696.db2.gz RKHSLTQDUJVTEX-UHFFFAOYSA-N 1 0 258.365 2.067 20 10 CECDRO C[C@H]([NH2+]CCOC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000903170255 635003970 /nfs/dbraw/zinc/00/39/70/635003970.db2.gz FNJMQDHTYKHDRR-AWEZNQCLSA-N 1 0 290.407 2.353 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@H]3OC)C2)cc1 ZINC000903198999 635009083 /nfs/dbraw/zinc/00/90/83/635009083.db2.gz IQTFZMFSBMWCSC-RRQGHBQHSA-N 1 0 290.407 2.431 20 10 CECDRO C[C@H]([NH2+]C1CC(CCO)C1)c1cc(F)ccc1O ZINC000903328543 635077134 /nfs/dbraw/zinc/07/71/34/635077134.db2.gz CFJQIQFPLPXIFC-BMQDGWLCSA-N 1 0 253.317 2.343 20 10 CECDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1=O ZINC000903392759 635089610 /nfs/dbraw/zinc/08/96/10/635089610.db2.gz YKVBDQDVMPIHQC-SMDDNHRTSA-N 1 0 292.379 2.062 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H](O)C2CC2)c1O ZINC000903410189 635104418 /nfs/dbraw/zinc/10/44/18/635104418.db2.gz DPFKPQNIAVOLFT-ZWNOBZJWSA-N 1 0 265.353 2.212 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CCCC1CCOCC1)OCO2 ZINC000824477681 635433924 /nfs/dbraw/zinc/43/39/24/635433924.db2.gz VJBLYRBNRSDNFM-UHFFFAOYSA-N 1 0 293.363 2.417 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000824702343 635481220 /nfs/dbraw/zinc/48/12/20/635481220.db2.gz LSXLUVWWAZOWIA-OCCSQVGLSA-N 1 0 294.370 2.323 20 10 CECDRO CC[C@](C)(C[NH2+]Cc1cc(OC)c(OC)cc1O)OC ZINC000824743389 635489545 /nfs/dbraw/zinc/48/95/45/635489545.db2.gz ARKOXEXKXIDWBO-OAHLLOKOSA-N 1 0 283.368 2.314 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC1(CF)CCOCC1 ZINC000824794300 635499529 /nfs/dbraw/zinc/49/95/29/635499529.db2.gz CVAIMHFCGOIAPF-UHFFFAOYSA-N 1 0 283.343 2.257 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1Cl ZINC000824895414 635519100 /nfs/dbraw/zinc/51/91/00/635519100.db2.gz WRBDNKDXVVPFIX-LLVKDONJSA-N 1 0 296.798 2.441 20 10 CECDRO Cc1cc(Cl)cc(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1O ZINC000824893134 635519155 /nfs/dbraw/zinc/51/91/55/635519155.db2.gz LHPGKJZFOMMSJG-RISCZKNCSA-N 1 0 280.799 2.490 20 10 CECDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000824904623 635521642 /nfs/dbraw/zinc/52/16/42/635521642.db2.gz UBRJLDVDTNLGHY-HNNXBMFYSA-N 1 0 288.391 2.334 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)Cc2cnn(C)c2)c(O)c1 ZINC000825045636 635548202 /nfs/dbraw/zinc/54/82/02/635548202.db2.gz IJNJUHWRJYNORA-LBPRGKRZSA-N 1 0 289.379 2.245 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CCO[C@H](C)C2)cc1Cl ZINC000825246459 635599448 /nfs/dbraw/zinc/59/94/48/635599448.db2.gz ATWRBNDXZLEMQV-GFCCVEGCSA-N 1 0 298.814 2.164 20 10 CECDRO c1cc2c(cc1CN[C@@]13CCC[C@H]1[NH2+]CC3)CCCO2 ZINC000904383737 635606142 /nfs/dbraw/zinc/60/61/42/635606142.db2.gz CZHJMRKMGWJXPR-IAGOWNOFSA-N 1 0 272.392 2.386 20 10 CECDRO CC1(C)C[NH2+]C[C@H]1NCc1c(O)cccc1Cl ZINC000904464229 635636256 /nfs/dbraw/zinc/63/62/56/635636256.db2.gz UKKCWZWVJYMRLV-GFCCVEGCSA-N 1 0 254.761 2.133 20 10 CECDRO COc1cccc(C[NH2+]Cc2ccnn2CC2CC2)c1O ZINC000825916264 635731748 /nfs/dbraw/zinc/73/17/48/635731748.db2.gz LXOJAXYMLWOSFM-UHFFFAOYSA-N 1 0 287.363 2.297 20 10 CECDRO Cc1cc(O)c(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1Cl ZINC000825968824 635740365 /nfs/dbraw/zinc/74/03/65/635740365.db2.gz ZFHAINPOWDPWPP-SMDDNHRTSA-N 1 0 280.799 2.490 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2CO[C@@H](C)C2)ccc1OC ZINC000842774511 635775414 /nfs/dbraw/zinc/77/54/14/635775414.db2.gz IHCLPKBWTKZUCU-SWLSCSKDSA-N 1 0 279.380 2.499 20 10 CECDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826846119 635859727 /nfs/dbraw/zinc/85/97/27/635859727.db2.gz PZGVISSYESABRS-LLVKDONJSA-N 1 0 292.770 2.159 20 10 CECDRO CO[C@]1(CO)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000826952413 636170752 /nfs/dbraw/zinc/17/07/52/636170752.db2.gz JYZPPIKEGJQMTO-CQSZACIVSA-N 1 0 285.771 2.019 20 10 CECDRO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827289271 636282391 /nfs/dbraw/zinc/28/23/91/636282391.db2.gz APDPEJJKEJGTBC-GXFFZTMASA-N 1 0 298.180 2.111 20 10 CECDRO COC(=O)[C@H]1C[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000827501379 636339109 /nfs/dbraw/zinc/33/91/09/636339109.db2.gz WNCSTBSCBIDXKB-OQPBWIOBSA-N 1 0 288.391 2.307 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1C ZINC000905693786 636406154 /nfs/dbraw/zinc/40/61/54/636406154.db2.gz DCFYTFHLMYDACL-ZDUSSCGKSA-N 1 0 277.364 2.204 20 10 CECDRO Cc1cccc(C[NH+]2CCC(N3CCOC3=O)CC2)c1O ZINC000827740999 636408908 /nfs/dbraw/zinc/40/89/08/636408908.db2.gz LENSLNITIBWXTA-UHFFFAOYSA-N 1 0 290.363 2.117 20 10 CECDRO C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1O ZINC000827959597 636470847 /nfs/dbraw/zinc/47/08/47/636470847.db2.gz BZDLHKVPIPOLKF-ZDUSSCGKSA-N 1 0 288.391 2.445 20 10 CECDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1ccccc1O ZINC000827968909 636473659 /nfs/dbraw/zinc/47/36/59/636473659.db2.gz CUVZPNGCSHACFB-FZMZJTMJSA-N 1 0 274.364 2.196 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCCc3n[nH]cc3C2)c(O)c1 ZINC000828013920 636486526 /nfs/dbraw/zinc/48/65/26/636486526.db2.gz OOBMWPRAOYWDCU-UHFFFAOYSA-N 1 0 287.363 2.462 20 10 CECDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000828539543 636624293 /nfs/dbraw/zinc/62/42/93/636624293.db2.gz PYHMEOAXEODIPM-GXTWGEPZSA-N 1 0 276.380 2.442 20 10 CECDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876509530 650296109 /nfs/dbraw/zinc/29/61/09/650296109.db2.gz IIIBZNGZHCYIER-ZDUSSCGKSA-N 1 0 277.364 2.476 20 10 CECDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000831744402 637424330 /nfs/dbraw/zinc/42/43/30/637424330.db2.gz MMMPWKYTEKTEGJ-ZIAGYGMSSA-N 1 0 281.327 2.391 20 10 CECDRO CCC1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832267229 637529150 /nfs/dbraw/zinc/52/91/50/637529150.db2.gz OMZGUUFZDOVYTJ-CQSZACIVSA-N 1 0 275.396 2.059 20 10 CECDRO Cc1ccccc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292517 637535775 /nfs/dbraw/zinc/53/57/75/637535775.db2.gz HZSOAWBTKURXMJ-KRWDZBQOSA-N 1 0 297.402 2.491 20 10 CECDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876582432 650345623 /nfs/dbraw/zinc/34/56/23/650345623.db2.gz ZDZLGWGIJSIXQH-AWEZNQCLSA-N 1 0 292.379 2.411 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1O ZINC000841089267 637707857 /nfs/dbraw/zinc/70/78/57/637707857.db2.gz KLTMLKYGXCUXSU-CYBMUJFWSA-N 1 0 276.380 2.165 20 10 CECDRO CCCNC(=O)C[N@H+](CCC)Cc1c(C)cccc1O ZINC000876625586 650365474 /nfs/dbraw/zinc/36/54/74/650365474.db2.gz ZEASUPWBWPUZMN-UHFFFAOYSA-N 1 0 278.396 2.439 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN2CCCO)c1 ZINC000834850034 637970393 /nfs/dbraw/zinc/97/03/93/637970393.db2.gz IUKVSVDGOLKZPF-GJZGRUSLSA-N 1 0 292.423 2.198 20 10 CECDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834897825 637981519 /nfs/dbraw/zinc/98/15/19/637981519.db2.gz WALZAWALRLJZGL-RISCZKNCSA-N 1 0 271.364 2.334 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1 ZINC000834907266 637983789 /nfs/dbraw/zinc/98/37/89/637983789.db2.gz MPAGOWKLYYXREG-GRYCIOLGSA-N 1 0 262.353 2.005 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cc(F)ccc1O ZINC000834911804 637986382 /nfs/dbraw/zinc/98/63/82/637986382.db2.gz BDONDGDUFBKQSI-JKOKRWQUSA-N 1 0 292.354 2.335 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c(O)c1 ZINC000834910390 637986417 /nfs/dbraw/zinc/98/64/17/637986417.db2.gz WTMYTROICJGWRQ-IAQYHMDHSA-N 1 0 262.353 2.020 20 10 CECDRO Cc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(O)c1 ZINC000876660733 650383948 /nfs/dbraw/zinc/38/39/48/650383948.db2.gz ZLFIXXPFOSSJPR-HNNXBMFYSA-N 1 0 260.381 2.371 20 10 CECDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCCCSc1nccs1 ZINC000876662984 650385475 /nfs/dbraw/zinc/38/54/75/650385475.db2.gz UWHCLHZHNFYFBH-NXEZZACHSA-N 1 0 299.465 2.115 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039104 638034019 /nfs/dbraw/zinc/03/40/19/638034019.db2.gz AZVUGMZLHUHZSA-PICKXAKRSA-N 1 0 294.464 2.468 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039101 638034171 /nfs/dbraw/zinc/03/41/71/638034171.db2.gz AZVUGMZLHUHZSA-GBYQGRNTSA-N 1 0 294.464 2.468 20 10 CECDRO CSC[C@H](CCO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041473 638034796 /nfs/dbraw/zinc/03/47/96/638034796.db2.gz XNGJSLYRBBLMKQ-RGDDUWESSA-N 1 0 294.464 2.469 20 10 CECDRO COC[C@](C)(O)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835054025 638041120 /nfs/dbraw/zinc/04/11/20/638041120.db2.gz GVBQNNDEARNFNE-FUTAKVPZSA-N 1 0 292.423 2.143 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000876715135 650408618 /nfs/dbraw/zinc/40/86/18/650408618.db2.gz JLEHGVVYQUZWNV-AWEZNQCLSA-N 1 0 288.391 2.287 20 10 CECDRO Nc1ccc(NC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@H]23)cc1 ZINC000911660531 638340013 /nfs/dbraw/zinc/34/00/13/638340013.db2.gz KKMZWJNGRKYAHB-TUKIKUTGSA-N 1 0 273.380 2.376 20 10 CECDRO Cc1cccc2c1N(C(=O)/C=C\[C@H]1CCC[NH2+]C1)CC2 ZINC000876885260 650472989 /nfs/dbraw/zinc/47/29/89/650472989.db2.gz KNLBVLRXMXAABC-WBTMPAOCSA-N 1 0 270.376 2.440 20 10 CECDRO Cc1ccc(C[NH2+]CCc2nnc3ccccn32)c(O)c1 ZINC000876897940 650478010 /nfs/dbraw/zinc/47/80/10/650478010.db2.gz OEKLHQLUXNMQTF-UHFFFAOYSA-N 1 0 282.347 2.076 20 10 CECDRO Cc1n[nH]cc1CCC[NH2+]Cc1c(C)cccc1O ZINC000876923609 650487788 /nfs/dbraw/zinc/48/77/88/650487788.db2.gz XMMHYFUJOMQLFT-UHFFFAOYSA-N 1 0 259.353 2.455 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1O ZINC000163953320 639338427 /nfs/dbraw/zinc/33/84/27/639338427.db2.gz VHLLDWGBZOCDJC-RYUDHWBXSA-N 1 0 265.353 2.318 20 10 CECDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164219076 639353755 /nfs/dbraw/zinc/35/37/55/639353755.db2.gz OAAHIKFQYUAEDW-HNNXBMFYSA-N 1 0 290.407 2.357 20 10 CECDRO c1csc(SCCC[NH2+]Cc2cnc[nH]2)n1 ZINC000165150319 639416673 /nfs/dbraw/zinc/41/66/73/639416673.db2.gz FHXQGZOTUIJQAA-UHFFFAOYSA-N 1 0 254.384 2.138 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000840834648 639556791 /nfs/dbraw/zinc/55/67/91/639556791.db2.gz YZEVLBDOJIMMES-NEPJUHHUSA-N 1 0 288.391 2.058 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCN2CCOC2=O)c(Cl)c1 ZINC000840890230 639575300 /nfs/dbraw/zinc/57/53/00/639575300.db2.gz ZQXNRVCMHMAPHK-UHFFFAOYSA-N 1 0 298.770 2.286 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)C[C@H]1O ZINC000840920014 639586982 /nfs/dbraw/zinc/58/69/82/639586982.db2.gz CPMKNXPSNTXMCH-CZUORRHYSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)C[S@](C)=O)c(Cl)c1 ZINC000840940112 639593814 /nfs/dbraw/zinc/59/38/14/639593814.db2.gz VODNPERCFODPGS-XLFHBGCDSA-N 1 0 275.801 2.211 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(Cl)c1 ZINC000840940729 639594043 /nfs/dbraw/zinc/59/40/43/639594043.db2.gz DDJONCSKGDXLSI-CQSZACIVSA-N 1 0 282.771 2.051 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CC1CCC(O)CC1 ZINC000227649812 639599311 /nfs/dbraw/zinc/59/93/11/639599311.db2.gz AJEYNXBCWFDYOF-UHFFFAOYSA-N 1 0 253.317 2.172 20 10 CECDRO COCC[C@H](C)C[NH2+]Cc1cccc(OC)c1O ZINC000840955851 639600075 /nfs/dbraw/zinc/60/00/75/639600075.db2.gz YLBVBVSPRUOAQB-NSHDSACASA-N 1 0 253.342 2.163 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000840957845 639601491 /nfs/dbraw/zinc/60/14/91/639601491.db2.gz GKJPUTWIOZGMQQ-UWVGGRQHSA-N 1 0 253.367 2.384 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)c1O ZINC000227827915 639606223 /nfs/dbraw/zinc/60/62/23/639606223.db2.gz HRSSEDQWSHKVHF-CHWSQXEVSA-N 1 0 265.353 2.304 20 10 CECDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000840978244 639607892 /nfs/dbraw/zinc/60/78/92/639607892.db2.gz MQBPYAVYAYLSGJ-JSGCOSHPSA-N 1 0 280.387 2.485 20 10 CECDRO Nc1ccc(CC[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000841036449 639627898 /nfs/dbraw/zinc/62/78/98/639627898.db2.gz NVZNHVAFQZXQPY-UHFFFAOYSA-N 1 0 270.332 2.330 20 10 CECDRO COc1cccc(C[C@H](C)[NH2+]CCc2ccc(N)cc2)n1 ZINC000841036870 639627963 /nfs/dbraw/zinc/62/79/63/639627963.db2.gz WPUJMHBNJKPIRO-ZDUSSCGKSA-N 1 0 285.391 2.436 20 10 CECDRO COC[C@]1(CNCc2c(O)cc(C)cc2Cl)CCC[NH2+]1 ZINC000841067092 639642532 /nfs/dbraw/zinc/64/25/32/639642532.db2.gz KAKLEPPOBWDIGK-OAHLLOKOSA-N 1 0 298.814 2.212 20 10 CECDRO CN(C)c1ccc(/C=C\CN[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000841079607 639648143 /nfs/dbraw/zinc/64/81/43/639648143.db2.gz MHGOOXPNEHYWKK-JZIMQPMSSA-N 1 0 295.377 2.353 20 10 CECDRO [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000841085052 639649855 /nfs/dbraw/zinc/64/98/55/639649855.db2.gz SVYIYKRXSMRIKO-KOLCDFICSA-N 1 0 299.212 2.372 20 10 CECDRO COc1cc(Cl)cc(CN[C@@H]2CC[NH2+]C2(C)C)c1O ZINC000841086464 639652084 /nfs/dbraw/zinc/65/20/84/639652084.db2.gz OGZDGACGZYTTTE-GFCCVEGCSA-N 1 0 284.787 2.284 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088341 639652243 /nfs/dbraw/zinc/65/22/43/639652243.db2.gz VCEBBHIKFXNPRG-DOMZBBRYSA-N 1 0 278.371 2.495 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@H](CC[NH3+])C(F)(F)F ZINC000841091710 639654486 /nfs/dbraw/zinc/65/44/86/639654486.db2.gz DFUZDEJJGSGHFR-ZDUSSCGKSA-N 1 0 289.345 2.430 20 10 CECDRO COc1cc(Cl)cc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c1O ZINC000229103686 639676510 /nfs/dbraw/zinc/67/65/10/639676510.db2.gz MBSIPGWCCVEZFG-NXEZZACHSA-N 1 0 284.787 2.236 20 10 CECDRO [NH3+][C@H]1Cc2ccccc2N(Cc2cc(F)ccc2O)C1 ZINC000841106260 639683502 /nfs/dbraw/zinc/68/35/02/639683502.db2.gz IOLZOBBUBDLOCF-AWEZNQCLSA-N 1 0 272.323 2.421 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccncc2C)c1 ZINC000229657701 639714775 /nfs/dbraw/zinc/71/47/75/639714775.db2.gz FPTKNJPKGFNEFF-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO OCC1([NH2+]Cc2cc(F)ccc2O)CCCCC1 ZINC000231036493 639823957 /nfs/dbraw/zinc/82/39/57/639823957.db2.gz CRRIRSUGLXZZMP-UHFFFAOYSA-N 1 0 253.317 2.316 20 10 CECDRO Oc1ccccc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188447 639837491 /nfs/dbraw/zinc/83/74/91/639837491.db2.gz VIBSKIJIGGZIKY-GJZGRUSLSA-N 1 0 260.381 2.499 20 10 CECDRO COc1ccc(O)c(CN2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063191910 639838042 /nfs/dbraw/zinc/83/80/42/639838042.db2.gz PIVXBQGBGUSJLX-RISCZKNCSA-N 1 0 264.369 2.103 20 10 CECDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841747111 639856577 /nfs/dbraw/zinc/85/65/77/639856577.db2.gz NUFRCGSVDGPDON-NSHDSACASA-N 1 0 286.803 2.274 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1COCc3ccccc31)OCO2 ZINC000841891329 639900246 /nfs/dbraw/zinc/90/02/46/639900246.db2.gz OHIXOCQUYVKNMX-CQSZACIVSA-N 1 0 299.326 2.482 20 10 CECDRO C[C@@]1(O)C[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000841891980 639901509 /nfs/dbraw/zinc/90/15/09/639901509.db2.gz RLQQWHDDSIXLHL-KLPPZKSPSA-N 1 0 286.169 2.158 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H](C)[NH3+])cc1 ZINC000841985302 639915709 /nfs/dbraw/zinc/91/57/09/639915709.db2.gz GZSXZUDJXZZGJG-CYBMUJFWSA-N 1 0 292.427 2.021 20 10 CECDRO Cc1ccc(C[NH2+]CCOc2cccnc2)c(O)c1 ZINC000877037946 650542277 /nfs/dbraw/zinc/54/22/77/650542277.db2.gz DNSRJJMSRADDJF-UHFFFAOYSA-N 1 0 258.321 2.264 20 10 CECDRO COc1cc(N(C)CC[C@H]2CC[NH2+]C2)cc(OC)c1OC ZINC000842473206 640072524 /nfs/dbraw/zinc/07/25/24/640072524.db2.gz QUHQFYOZTBUEAQ-GFCCVEGCSA-N 1 0 294.395 2.148 20 10 CECDRO CC(=O)NCC[N@@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000842633379 640127924 /nfs/dbraw/zinc/12/79/24/640127924.db2.gz QUBMUOXZXXGOEH-UHFFFAOYSA-N 1 0 278.396 2.392 20 10 CECDRO Cc1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)c(O)c1 ZINC000877057804 650552564 /nfs/dbraw/zinc/55/25/64/650552564.db2.gz OYEBSZWYRIQMLY-UHFFFAOYSA-N 1 0 283.371 2.320 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCCc2ncn(C)n2)cc1 ZINC000842738636 640164414 /nfs/dbraw/zinc/16/44/14/640164414.db2.gz QFFMMZUAADCBAD-GQCTYLIASA-N 1 0 299.422 2.117 20 10 CECDRO CO[C@@]1(C[NH2+]CCCSc2nccs2)CCOC1 ZINC000877062144 650555984 /nfs/dbraw/zinc/55/59/84/650555984.db2.gz YYLPVLGJCAAOFQ-GFCCVEGCSA-N 1 0 288.438 2.020 20 10 CECDRO Cc1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c(O)c1 ZINC000877070781 650559133 /nfs/dbraw/zinc/55/91/33/650559133.db2.gz VUDUUWPROSOKRT-UHFFFAOYSA-N 1 0 285.409 2.004 20 10 CECDRO C[NH2+][C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843044454 640250182 /nfs/dbraw/zinc/25/01/82/640250182.db2.gz CGKHSAWSZSTPTL-MBVDDHJVSA-N 1 0 259.397 2.060 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH3+])C2)cc1F ZINC000843044475 640250202 /nfs/dbraw/zinc/25/02/02/640250202.db2.gz CTPKZAGSXCAIEY-CYBMUJFWSA-N 1 0 265.376 2.205 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CCC([NH3+])CC2)cc1 ZINC000843047107 640250759 /nfs/dbraw/zinc/25/07/59/640250759.db2.gz GYAJPHBCKXUDLQ-ONEGZZNKSA-N 1 0 259.397 2.189 20 10 CECDRO Cc1cc(O)c(CN2CCC([NH3+])CC2)c(Cl)c1 ZINC000843047305 640252629 /nfs/dbraw/zinc/25/26/29/640252629.db2.gz KWARKWGIDATECV-UHFFFAOYSA-N 1 0 254.761 2.277 20 10 CECDRO CCN(CC)c1ccc(CN(C)[C@H]2CC[NH2+]C2)cc1F ZINC000843049148 640253581 /nfs/dbraw/zinc/25/35/81/640253581.db2.gz GTNDEQYXBIUNMN-AWEZNQCLSA-N 1 0 279.403 2.466 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000843049002 640253811 /nfs/dbraw/zinc/25/38/11/640253811.db2.gz CTZRWDODUUJBFC-ZIAGYGMSSA-N 1 0 261.413 2.243 20 10 CECDRO C[NH2+]C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000843049324 640253888 /nfs/dbraw/zinc/25/38/88/640253888.db2.gz KHYYEIMUTUGNFU-UHFFFAOYSA-N 1 0 265.376 2.076 20 10 CECDRO CC[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000843052332 640255896 /nfs/dbraw/zinc/25/58/96/640255896.db2.gz OPTXIDQXOITQHN-UKRRQHHQSA-N 1 0 279.403 2.451 20 10 CECDRO C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000843058520 640261598 /nfs/dbraw/zinc/26/15/98/640261598.db2.gz VBMSODVKMFUOCS-NXEZZACHSA-N 1 0 254.761 2.215 20 10 CECDRO CC(C)[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000843104789 640282475 /nfs/dbraw/zinc/28/24/75/640282475.db2.gz MKESCOCAEKQNOM-MRXNPFEDSA-N 1 0 261.413 2.182 20 10 CECDRO [NH3+]C1CCC([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000843108428 640284017 /nfs/dbraw/zinc/28/40/17/640284017.db2.gz ZUKAKRATPUJUSZ-UHFFFAOYSA-N 1 0 299.758 2.313 20 10 CECDRO CN(C)c1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1F ZINC000843115597 640286178 /nfs/dbraw/zinc/28/61/78/640286178.db2.gz HFHGQBLPVIBGRA-OAHLLOKOSA-N 1 0 265.376 2.062 20 10 CECDRO CN(C)c1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000843123841 640290273 /nfs/dbraw/zinc/29/02/73/640290273.db2.gz QHIZAQQYPZCVRC-KRWDZBQOSA-N 1 0 291.414 2.467 20 10 CECDRO C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC([NH3+])C1 ZINC000843125606 640292018 /nfs/dbraw/zinc/29/20/18/640292018.db2.gz YPEGBZNMOCPZQA-UHFFFAOYSA-N 1 0 258.724 2.106 20 10 CECDRO [NH3+]C[C@H]1c2ccccc2CCN1Cc1ccccc1O ZINC000843127550 640294692 /nfs/dbraw/zinc/29/46/92/640294692.db2.gz DWUYPTPWZUIHQE-INIZCTEOSA-N 1 0 268.360 2.450 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c(O)c1 ZINC000843129870 640296399 /nfs/dbraw/zinc/29/63/99/640296399.db2.gz SHIIGFHECYENIL-MNOVXSKESA-N 1 0 252.358 2.006 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c1O ZINC000843346100 640397426 /nfs/dbraw/zinc/39/74/26/640397426.db2.gz LSVAJBNEGJGCIP-MEBBXXQBSA-N 1 0 294.370 2.436 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1C1CCC1)OCO2 ZINC000843428716 640427597 /nfs/dbraw/zinc/42/75/97/640427597.db2.gz MBMAJWJQMABOPQ-ZDUSSCGKSA-N 1 0 291.347 2.122 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CCC2(O)CCC2)cc1 ZINC000844401368 640708243 /nfs/dbraw/zinc/70/82/43/640708243.db2.gz KEVDWGAGDMVMRQ-UHFFFAOYSA-N 1 0 292.423 2.368 20 10 CECDRO COCC[C@@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400656 640708462 /nfs/dbraw/zinc/70/84/62/640708462.db2.gz FOYVIKHIXMMXCF-CQSZACIVSA-N 1 0 280.412 2.488 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)C(C)(C)C)cc1 ZINC000844402303 640709586 /nfs/dbraw/zinc/70/95/86/640709586.db2.gz SKQURTCMPNINEP-MRXNPFEDSA-N 1 0 294.439 2.470 20 10 CECDRO [NH3+]CC1(CC[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000844902945 640861337 /nfs/dbraw/zinc/86/13/37/640861337.db2.gz YIAZDXCMOAZFKZ-UHFFFAOYSA-N 1 0 299.212 2.373 20 10 CECDRO CN(C)c1ncc(C[NH2+]Cc2cc(Cl)ccc2O)n1C ZINC000846056281 641166081 /nfs/dbraw/zinc/16/60/81/641166081.db2.gz SMBOAEHJDRHTLT-UHFFFAOYSA-N 1 0 294.786 2.135 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1ccccc1O ZINC000846096356 641179065 /nfs/dbraw/zinc/17/90/65/641179065.db2.gz GWODYRQELKZHGG-GXTWGEPZSA-N 1 0 276.380 2.301 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCC2(CO)CCC2)c1 ZINC000846104167 641182859 /nfs/dbraw/zinc/18/28/59/641182859.db2.gz CRHUSWCBNPNJOQ-UHFFFAOYSA-N 1 0 265.353 2.043 20 10 CECDRO COCCCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846140431 641198581 /nfs/dbraw/zinc/19/85/81/641198581.db2.gz RNXIKUYQFAWFGU-LLVKDONJSA-N 1 0 253.342 2.478 20 10 CECDRO COCCCN(C)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846146229 641201908 /nfs/dbraw/zinc/20/19/08/641201908.db2.gz OPGOZJMNZKJCJD-CYBMUJFWSA-N 1 0 296.411 2.020 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCOC2)c1O ZINC000846146482 641202329 /nfs/dbraw/zinc/20/23/29/641202329.db2.gz RVIHCZFACBZNIP-WDEREUQCSA-N 1 0 251.326 2.088 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCN2CC[C@H](C)C2)c1O ZINC000846149466 641203302 /nfs/dbraw/zinc/20/33/02/641203302.db2.gz ZRCFISXTTIBQJW-QWHCGFSZSA-N 1 0 278.396 2.393 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C2COC(C)(C)OC2)c1O ZINC000846162438 641208325 /nfs/dbraw/zinc/20/83/25/641208325.db2.gz HKJNOWQZFKCJEG-JTQLQIEISA-N 1 0 281.352 2.203 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC2(C)OCCCO2)c1O ZINC000846167525 641210827 /nfs/dbraw/zinc/21/08/27/641210827.db2.gz ZYYDHVFDVNPPDT-LLVKDONJSA-N 1 0 281.352 2.205 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1O ZINC000846168038 641210895 /nfs/dbraw/zinc/21/08/95/641210895.db2.gz QIMDJTRKGRWBMJ-BIBXISHDSA-N 1 0 297.420 2.353 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCc2cn(C)cn2)c1O ZINC000846169748 641211345 /nfs/dbraw/zinc/21/13/45/641211345.db2.gz SNYJHPNKZSXDIF-LLVKDONJSA-N 1 0 275.352 2.028 20 10 CECDRO CC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(C)cc1O ZINC000846187510 641215893 /nfs/dbraw/zinc/21/58/93/641215893.db2.gz ANALSRYRDFMGNL-NTZNESFSSA-N 1 0 262.353 2.005 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@]2(O)CCOC2)c(O)c1 ZINC000846192317 641217110 /nfs/dbraw/zinc/21/71/10/641217110.db2.gz HABNSNMPKUNSAK-BBRMVZONSA-N 1 0 279.380 2.201 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)cc1 ZINC000846194628 641218804 /nfs/dbraw/zinc/21/88/04/641218804.db2.gz OOFIZUDBQCJIFT-RHSMWYFYSA-N 1 0 292.423 2.335 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000846204639 641220146 /nfs/dbraw/zinc/22/01/46/641220146.db2.gz AGNYHRXPPZXHBT-CHWSQXEVSA-N 1 0 288.391 2.362 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCCC2=O)c(O)c1C ZINC000846205940 641220612 /nfs/dbraw/zinc/22/06/12/641220612.db2.gz LCBHRTDLLNBIBP-CYBMUJFWSA-N 1 0 276.380 2.282 20 10 CECDRO C[C@H](NC(=O)C1([NH3+])Cc2ccccc2C1)c1ccccc1O ZINC000877255464 650644307 /nfs/dbraw/zinc/64/43/07/650644307.db2.gz DRQHDUOKUBSBDU-LBPRGKRZSA-N 1 0 296.370 2.066 20 10 CECDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846475251 641311815 /nfs/dbraw/zinc/31/18/15/641311815.db2.gz DUIZHHJUSYAGCY-GFCCVEGCSA-N 1 0 282.771 2.146 20 10 CECDRO CCC[N@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1O ZINC000846807303 641433167 /nfs/dbraw/zinc/43/31/67/641433167.db2.gz BYFQMJQNXXRBBQ-ZDUSSCGKSA-N 1 0 276.380 2.130 20 10 CECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CN(C)CC ZINC000846894213 641472261 /nfs/dbraw/zinc/47/22/61/641472261.db2.gz UPDVROMOCOAASM-INIZCTEOSA-N 1 0 294.439 2.307 20 10 CECDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c(O)c1 ZINC000877333386 650678535 /nfs/dbraw/zinc/67/85/35/650678535.db2.gz UFTMOJOYJHNRLO-UHFFFAOYSA-N 1 0 296.370 2.276 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H](C)[NH3+] ZINC000070316560 641654694 /nfs/dbraw/zinc/65/46/94/641654694.db2.gz ATADREDBFGYEBE-CYBMUJFWSA-N 1 0 277.412 2.229 20 10 CECDRO CC[C@H]([NH2+]C[C@](C)(CO)OC)c1ccc(N(C)C)cc1 ZINC000848557585 642051863 /nfs/dbraw/zinc/05/18/63/642051863.db2.gz GALMZMMIMQPBJX-JKSUJKDBSA-N 1 0 280.412 2.191 20 10 CECDRO CC[C@@H]([NH2+]C[C@@](C)(CO)OC)c1ccc(N(C)C)cc1 ZINC000848557582 642051945 /nfs/dbraw/zinc/05/19/45/642051945.db2.gz GALMZMMIMQPBJX-CVEARBPZSA-N 1 0 280.412 2.191 20 10 CECDRO CO[C@](C)(CO)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000848559909 642053074 /nfs/dbraw/zinc/05/30/74/642053074.db2.gz VUXDZRXDWIVJDM-WFASDCNBSA-N 1 0 267.369 2.057 20 10 CECDRO C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848559450 642053344 /nfs/dbraw/zinc/05/33/44/642053344.db2.gz WXHXQXSDFANFQR-GMXVVIOVSA-N 1 0 293.367 2.291 20 10 CECDRO Oc1ccccc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848575653 642063708 /nfs/dbraw/zinc/06/37/08/642063708.db2.gz URHHWBSKPCTISU-LSDHHAIUSA-N 1 0 260.381 2.499 20 10 CECDRO CCc1cccc(C[NH2+][C@H](CCO)CSC)c1O ZINC000848896429 642176018 /nfs/dbraw/zinc/17/60/18/642176018.db2.gz ARKBXLWJDCWQIL-CYBMUJFWSA-N 1 0 269.410 2.158 20 10 CECDRO CCc1cccc(C[NH2+]CC2(C(N)=O)CCCC2)c1O ZINC000848900765 642179360 /nfs/dbraw/zinc/17/93/60/642179360.db2.gz QAGWSJBTPBEBNI-UHFFFAOYSA-N 1 0 276.380 2.090 20 10 CECDRO CCc1cccc(C[NH+]2CC([C@@H]3CCOC3)C2)c1O ZINC000848908445 642185484 /nfs/dbraw/zinc/18/54/84/642185484.db2.gz UPBIWBKMYTWUFZ-CQSZACIVSA-N 1 0 261.365 2.423 20 10 CECDRO CCc1cccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1O ZINC000848917982 642190886 /nfs/dbraw/zinc/19/08/86/642190886.db2.gz MALIZMBLTRYAHU-QWHCGFSZSA-N 1 0 263.381 2.405 20 10 CECDRO CC(C)[C@H]1CN(Cc2cc(Cl)ccc2O)CC[NH2+]1 ZINC000083511802 642196956 /nfs/dbraw/zinc/19/69/56/642196956.db2.gz GJOQVSBSMMDVFY-CYBMUJFWSA-N 1 0 268.788 2.475 20 10 CECDRO C[C@H](O)C[N@H+](Cc1c(O)cccc1Cl)C1CC1 ZINC000848928608 642199157 /nfs/dbraw/zinc/19/91/57/642199157.db2.gz IQNMGCRICRLGHH-VIFPVBQESA-N 1 0 255.745 2.391 20 10 CECDRO CCCNC(=[NH2+])NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849043409 642253203 /nfs/dbraw/zinc/25/32/03/642253203.db2.gz BZKZEIIJUKZOJY-CYBMUJFWSA-N 1 0 290.411 2.045 20 10 CECDRO CCNC(=O)C1(C[NH2+]Cc2ccc(C)cc2O)CCC1 ZINC000877474797 650738668 /nfs/dbraw/zinc/73/86/68/650738668.db2.gz GBLNROZOJFLWLH-UHFFFAOYSA-N 1 0 276.380 2.097 20 10 CECDRO Cc1ccc(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000877485471 650744421 /nfs/dbraw/zinc/74/44/21/650744421.db2.gz VHUBKCFYLUYVME-GASCZTMLSA-N 1 0 292.423 2.242 20 10 CECDRO Cc1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)c(O)c1 ZINC000877496843 650751527 /nfs/dbraw/zinc/75/15/27/650751527.db2.gz ZWZMOJOOTRZJSR-GOSISDBHSA-N 1 0 267.394 2.091 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@@]2(CCOC2)O1 ZINC000877492955 650749230 /nfs/dbraw/zinc/74/92/30/650749230.db2.gz YZTLYJKUPSGYEE-RHSMWYFYSA-N 1 0 291.391 2.471 20 10 CECDRO CCOC1CC(C[NH2+]Cc2ccc(OC)cc2O)C1 ZINC000877493874 650749398 /nfs/dbraw/zinc/74/93/98/650749398.db2.gz PWWYNBCUFYLACM-UHFFFAOYSA-N 1 0 265.353 2.306 20 10 CECDRO COc1ncc(C[NH2+]Cc2cccc(OC)c2O)s1 ZINC000877525581 650767386 /nfs/dbraw/zinc/76/73/86/650767386.db2.gz IIULVODSBMRWSP-UHFFFAOYSA-N 1 0 280.349 2.156 20 10 CECDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000126567910 650774667 /nfs/dbraw/zinc/77/46/67/650774667.db2.gz QJQUTXNVHFJQCX-CZUORRHYSA-N 1 0 289.423 2.099 20 10 CECDRO CSCC[C@H]([NH2+]Cc1ccc(C)cc1O)C(=O)N(C)C ZINC000877535969 650774063 /nfs/dbraw/zinc/77/40/63/650774063.db2.gz VWXCDUCQXJBZSG-ZDUSSCGKSA-N 1 0 296.436 2.000 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]CC3(F)CC3)C2)cc1 ZINC000850347878 642675697 /nfs/dbraw/zinc/67/56/97/642675697.db2.gz ZNXQXMHYXFHKDX-GFCCVEGCSA-N 1 0 264.344 2.366 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000850352678 642678872 /nfs/dbraw/zinc/67/88/72/642678872.db2.gz DYSDYZPCWXOROO-OAHLLOKOSA-N 1 0 296.370 2.378 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850379030 642690800 /nfs/dbraw/zinc/69/08/00/642690800.db2.gz YGYXZCHQAWXDNF-KGLIPLIRSA-N 1 0 299.317 2.305 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1O ZINC000850388803 642695346 /nfs/dbraw/zinc/69/53/46/642695346.db2.gz PVKXGUVHNYLMQP-KGLIPLIRSA-N 1 0 277.364 2.184 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c(O)c1 ZINC000877541707 650776554 /nfs/dbraw/zinc/77/65/54/650776554.db2.gz LEOMJCNFRPLDFP-GFCCVEGCSA-N 1 0 271.307 2.150 20 10 CECDRO CCS(=O)(=O)C1(C[NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000850397763 642699699 /nfs/dbraw/zinc/69/96/99/642699699.db2.gz IZAUOZSLQGRKPR-UHFFFAOYSA-N 1 0 297.420 2.066 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)c2nccn2C)c1O ZINC000850410307 642703834 /nfs/dbraw/zinc/70/38/34/642703834.db2.gz KTUGKSYOBAOTGG-NSHDSACASA-N 1 0 275.352 2.375 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](OC)[C@@H]2CCOC2)c1O ZINC000850484287 642728560 /nfs/dbraw/zinc/72/85/60/642728560.db2.gz GHVUCPIRMUYKDA-ZOWXZIJZSA-N 1 0 295.379 2.103 20 10 CECDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000850484706 642728988 /nfs/dbraw/zinc/72/89/88/642728988.db2.gz OSEQZXIKIHJXGD-YSVLISHTSA-N 1 0 292.423 2.455 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3COC(C)(C)C3)C2)cc1 ZINC000850488464 642729850 /nfs/dbraw/zinc/72/98/50/642729850.db2.gz RXPQWMBENLBWJA-KBPBESRZSA-N 1 0 290.407 2.431 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCOC3(C)C)C2)cc1 ZINC000850486062 642730114 /nfs/dbraw/zinc/73/01/14/642730114.db2.gz DSJNMTXGUHHJID-CZUORRHYSA-N 1 0 290.407 2.431 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCSC3)C2)cc1 ZINC000850489940 642731048 /nfs/dbraw/zinc/73/10/48/642731048.db2.gz YMQXUNBGUSJFGN-QWHCGFSZSA-N 1 0 278.421 2.369 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)c1O ZINC000850521235 642738360 /nfs/dbraw/zinc/73/83/60/642738360.db2.gz RRTMTJJYSHKBCN-CABZTGNLSA-N 1 0 287.306 2.476 20 10 CECDRO CCn1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)nn1 ZINC000850522488 642738706 /nfs/dbraw/zinc/73/87/06/642738706.db2.gz RNDYBROFGZOVRM-LBPRGKRZSA-N 1 0 274.368 2.471 20 10 CECDRO COc1ccncc1C[NH2+]Cc1ccc(C)cc1O ZINC000877549070 650780827 /nfs/dbraw/zinc/78/08/27/650780827.db2.gz XPMBQDMVTXPFPY-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO COCC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566146 642753892 /nfs/dbraw/zinc/75/38/92/642753892.db2.gz KBFAAHCFJIINBE-AWEZNQCLSA-N 1 0 292.423 2.162 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c(O)c1 ZINC000877561296 650790558 /nfs/dbraw/zinc/79/05/58/650790558.db2.gz DRHDOALIHDQKHV-OAGGEKHMSA-N 1 0 291.391 2.062 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000877568391 650793528 /nfs/dbraw/zinc/79/35/28/650793528.db2.gz MUCWBEVKKCXOAR-CYBMUJFWSA-N 1 0 297.420 2.100 20 10 CECDRO Cc1ccc(C[N@H+](CCO)C2CCSCC2)c(O)c1 ZINC000877574237 650795737 /nfs/dbraw/zinc/79/57/37/650795737.db2.gz ZYWNJZFBLQJWGS-UHFFFAOYSA-N 1 0 281.421 2.391 20 10 CECDRO COC[C@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)OC ZINC000922235751 642971459 /nfs/dbraw/zinc/97/14/59/642971459.db2.gz JVHYPHKRWUJSDK-HNNXBMFYSA-N 1 0 279.380 2.153 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000877593965 650806079 /nfs/dbraw/zinc/80/60/79/650806079.db2.gz KSXNZJKNECTSFC-UHFFFAOYSA-N 1 0 293.407 2.358 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c(O)c1 ZINC000877597394 650807892 /nfs/dbraw/zinc/80/78/92/650807892.db2.gz KALZMGTUVYNSOF-AWEZNQCLSA-N 1 0 272.352 2.129 20 10 CECDRO OC[C@H](CCc1ccccc1)[NH2+]Cc1ccccc1O ZINC000922544994 643118645 /nfs/dbraw/zinc/11/86/45/643118645.db2.gz XBDTVOHJJOLHNE-INIZCTEOSA-N 1 0 271.360 2.476 20 10 CECDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCN1C ZINC000922557473 643127519 /nfs/dbraw/zinc/12/75/19/643127519.db2.gz ORGNJGZIJSACLE-FZMZJTMJSA-N 1 0 265.376 2.074 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCN2C)cc1 ZINC000922576571 643136571 /nfs/dbraw/zinc/13/65/71/643136571.db2.gz UBOWRQVXKQFVPQ-APHBUQMISA-N 1 0 259.397 2.060 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(OC)OC)c1 ZINC000851899688 643215153 /nfs/dbraw/zinc/21/51/53/643215153.db2.gz CMOLGXWXNOVTDU-JTQLQIEISA-N 1 0 269.341 2.060 20 10 CECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H]4C[C@H]4C3)cc2)CC1 ZINC000877636375 650827748 /nfs/dbraw/zinc/82/77/48/650827748.db2.gz VJEXYABFMOHODQ-HOTGVXAUSA-N 1 0 286.419 2.490 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)cc1 ZINC000852295651 643383063 /nfs/dbraw/zinc/38/30/63/643383063.db2.gz GWHKEQKNFQJFRE-UHFFFAOYSA-N 1 0 285.391 2.122 20 10 CECDRO C/C=C/C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877656877 650837145 /nfs/dbraw/zinc/83/71/45/650837145.db2.gz CJVJPESWFGSUHF-NSCUHMNNSA-N 1 0 260.381 2.313 20 10 CECDRO CO[C@]1(CO)CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000852408504 643418249 /nfs/dbraw/zinc/41/82/49/643418249.db2.gz BJNNDRYUKXMFMY-QGZVFWFLSA-N 1 0 292.423 2.034 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000852502083 643448038 /nfs/dbraw/zinc/44/80/38/643448038.db2.gz ZJHRRNMIPRLEST-QGZVFWFLSA-N 1 0 274.408 2.490 20 10 CECDRO COC(=O)[C@@]1(C)C[N@H+](Cc2c(O)cccc2OC)C[C@@H]1C ZINC000877666801 650841324 /nfs/dbraw/zinc/84/13/24/650841324.db2.gz NWQMRJUMPULUNO-ZBEGNZNMSA-N 1 0 293.363 2.032 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCO[C@H]2CCOC2)cc1 ZINC000922941118 643465951 /nfs/dbraw/zinc/46/59/51/643465951.db2.gz HDBVHUIGLOQZPU-KRWDZBQOSA-N 1 0 292.423 2.428 20 10 CECDRO CCc1onc(C)c1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000922988444 643497288 /nfs/dbraw/zinc/49/72/88/643497288.db2.gz OHZOLQIZPDFDPF-UHFFFAOYSA-N 1 0 290.319 2.270 20 10 CECDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000877673706 650844823 /nfs/dbraw/zinc/84/48/23/650844823.db2.gz HJKZHDAPXLLSFA-HNNXBMFYSA-N 1 0 276.380 2.191 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CC(C)(C)CC[C@H]2O)c1 ZINC000877684525 650849887 /nfs/dbraw/zinc/84/98/87/650849887.db2.gz WLCUZEFVGCEWCO-UKRRQHHQSA-N 1 0 279.380 2.430 20 10 CECDRO CCCCOC[C@H](O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000923287488 643642234 /nfs/dbraw/zinc/64/22/34/643642234.db2.gz PCRIKYHVKNDWIU-MRXNPFEDSA-N 1 0 292.423 2.076 20 10 CECDRO CN(C)c1ccc(/C=C\CNCC23CC(C2)C[NH2+]3)cc1 ZINC000853245931 643720419 /nfs/dbraw/zinc/72/04/19/643720419.db2.gz CYVSZSMNVRBABA-ARJAWSKDSA-N 1 0 271.408 2.107 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1C ZINC000853554624 643811489 /nfs/dbraw/zinc/81/14/89/643811489.db2.gz BPBZBEDQWRNISE-ZFWWWQNUSA-N 1 0 288.391 2.110 20 10 CECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000853586981 643823320 /nfs/dbraw/zinc/82/33/20/643823320.db2.gz CJVYXJKYQWTKRY-KBPBESRZSA-N 1 0 284.359 2.409 20 10 CECDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C[C@H]1CC1(C)C ZINC000853628030 643838068 /nfs/dbraw/zinc/83/80/68/643838068.db2.gz LTVMIQXMYVUHIE-RISCZKNCSA-N 1 0 277.364 2.296 20 10 CECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccc(C)cc1O)C2 ZINC000877724513 650872280 /nfs/dbraw/zinc/87/22/80/650872280.db2.gz XCCIHPIGTOXMKD-WWGRRREGSA-N 1 0 275.348 2.132 20 10 CECDRO COc1ccc(N2CC[C@H](N[C@@H](C)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000854216632 644012952 /nfs/dbraw/zinc/01/29/52/644012952.db2.gz BNZPQFYZGXGJFZ-GRDNDAEWSA-N 1 0 289.423 2.004 20 10 CECDRO CCn1nncc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000838937022 644092782 /nfs/dbraw/zinc/09/27/82/644092782.db2.gz OXDIIPNGMXEFOQ-GFCCVEGCSA-N 1 0 273.384 2.215 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)[C@@H]1SC ZINC000839067028 644137577 /nfs/dbraw/zinc/13/75/77/644137577.db2.gz MCBVBZSOTKXPNL-YUELXQCFSA-N 1 0 297.420 2.399 20 10 CECDRO COc1ccc(C[NH2+]Cc2cnc(C3CC3)nc2)c(O)c1 ZINC000839067388 644138021 /nfs/dbraw/zinc/13/80/21/644138021.db2.gz VHGBUYVLDJIUJF-UHFFFAOYSA-N 1 0 285.347 2.358 20 10 CECDRO C[C@@H]([NH2+]Cc1cnc(N(C)C)n1C)c1ccccc1O ZINC000877755575 650899262 /nfs/dbraw/zinc/89/92/62/650899262.db2.gz FUMDNBDRTNLNAQ-LLVKDONJSA-N 1 0 274.368 2.043 20 10 CECDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)[nH]1 ZINC000877757142 650900071 /nfs/dbraw/zinc/90/00/71/650900071.db2.gz IZDNKDJIHSWDON-JTQLQIEISA-N 1 0 274.320 2.358 20 10 CECDRO Cc1cccc(C[NH2+]CCC[C@H]2CCOC2=O)c1O ZINC000877805562 650916381 /nfs/dbraw/zinc/91/63/81/650916381.db2.gz CYWTZHVKSJQDQR-LBPRGKRZSA-N 1 0 263.337 2.134 20 10 CECDRO COc1cc(C)cc(CN2CC[NH+](C3CCC3)CC2)c1O ZINC000754726032 644421056 /nfs/dbraw/zinc/42/10/56/644421056.db2.gz JZGBSPJUAQGZEN-UHFFFAOYSA-N 1 0 290.407 2.379 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1O ZINC000754748430 644423315 /nfs/dbraw/zinc/42/33/15/644423315.db2.gz LYVIFGNLGGFPIY-JSGCOSHPSA-N 1 0 279.380 2.445 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1O ZINC000755155660 644481209 /nfs/dbraw/zinc/48/12/09/644481209.db2.gz CNMGZAOMDRAXLP-BONVTDFDSA-N 1 0 281.327 2.391 20 10 CECDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2c(C)cccc2O)C1 ZINC000877829726 650925014 /nfs/dbraw/zinc/92/50/14/650925014.db2.gz ALBOFCULSPWGBI-GFCCVEGCSA-N 1 0 277.364 2.332 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(Cl)ccc1O ZINC000756434960 644648681 /nfs/dbraw/zinc/64/86/81/644648681.db2.gz RXLKDBZFEPZWGB-MWLCHTKSSA-N 1 0 271.744 2.112 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCCO2)c2c1c(F)ccc2O ZINC000756433590 644648942 /nfs/dbraw/zinc/64/89/42/644648942.db2.gz DLZMJWYGTUMHDW-JFGNBEQYSA-N 1 0 281.327 2.085 20 10 CECDRO CNC(=O)CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756483586 644653130 /nfs/dbraw/zinc/65/31/30/644653130.db2.gz PADHCWHQIXVZLS-ONGXEEELSA-N 1 0 280.343 2.195 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc2ccccc2c1O ZINC000756557841 644665732 /nfs/dbraw/zinc/66/57/32/644665732.db2.gz WQQGIXCHHBKDPL-GXTWGEPZSA-N 1 0 288.391 2.119 20 10 CECDRO CC[S@](=O)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756573841 644670815 /nfs/dbraw/zinc/67/08/15/644670815.db2.gz CMIGFEMMXGAWSP-XIKOKIGWSA-N 1 0 269.410 2.428 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756583609 644671404 /nfs/dbraw/zinc/67/14/04/644671404.db2.gz CIMWWDOKVZLHDL-IETSOEAISA-N 1 0 297.370 2.457 20 10 CECDRO C[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756584992 644672778 /nfs/dbraw/zinc/67/27/78/644672778.db2.gz IDVFHWQYDWHGLW-FXPVBKGRSA-N 1 0 253.317 2.440 20 10 CECDRO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cc(Cl)ccc1O ZINC000756638370 644676640 /nfs/dbraw/zinc/67/66/40/644676640.db2.gz OSSZWAZKOSYZCJ-CABZTGNLSA-N 1 0 282.771 2.317 20 10 CECDRO COC1CCN(CC[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000756641112 644677881 /nfs/dbraw/zinc/67/78/81/644677881.db2.gz GHASVLXQUOCYAY-AWEZNQCLSA-N 1 0 292.423 2.462 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000756768946 644690376 /nfs/dbraw/zinc/69/03/76/644690376.db2.gz BJWXMZDXRWTURX-RKDXNWHRSA-N 1 0 291.800 2.129 20 10 CECDRO COc1ccc(C[NH2+]Cc2cc(C)ncn2)cc1C ZINC000756990316 644715902 /nfs/dbraw/zinc/71/59/02/644715902.db2.gz KQQCAZBOGSQTQK-UHFFFAOYSA-N 1 0 257.337 2.392 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1Cl ZINC000857046012 644798572 /nfs/dbraw/zinc/79/85/72/644798572.db2.gz DYZUNVVJDVSHBE-JTQLQIEISA-N 1 0 282.771 2.051 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000857084287 644813711 /nfs/dbraw/zinc/81/37/11/644813711.db2.gz LNHZRPQLJXKUBG-UFGOTCBOSA-N 1 0 292.354 2.290 20 10 CECDRO C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000757659322 644833121 /nfs/dbraw/zinc/83/31/21/644833121.db2.gz YGBHBSZZFXGGMU-CGMWZMNDSA-N 1 0 285.384 2.436 20 10 CECDRO CCOc1ccc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c(O)c1 ZINC000857226742 644859840 /nfs/dbraw/zinc/85/98/40/644859840.db2.gz YJHPMFGYWLOCHZ-XJKSGUPXSA-N 1 0 276.380 2.104 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCN(C3CC3)C2)cc1F ZINC000858128030 645069498 /nfs/dbraw/zinc/06/94/98/645069498.db2.gz YOZUATWSLNFPJS-LBPRGKRZSA-N 1 0 295.377 2.357 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CC[C@H](O)CC2)cc1F ZINC000858153288 645076108 /nfs/dbraw/zinc/07/61/08/645076108.db2.gz KKHLDIRLZFWPQD-HAQNSBGRSA-N 1 0 284.350 2.424 20 10 CECDRO CC[NH+](CC)C[C@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858278841 645105499 /nfs/dbraw/zinc/10/54/99/645105499.db2.gz KDWXKMCIPNJCII-ZDUSSCGKSA-N 1 0 293.411 2.230 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000858295849 645109399 /nfs/dbraw/zinc/10/93/99/645109399.db2.gz KFSCAGJJZIZPBE-CJNGLKHVSA-N 1 0 277.364 2.448 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2C[C@H](OC)C2)ccc1OC ZINC000858322537 645118006 /nfs/dbraw/zinc/11/80/06/645118006.db2.gz ZLMWOQKCWGRHRZ-SHTZXODSSA-N 1 0 279.380 2.499 20 10 CECDRO CCOc1ccc(C[NH2+]CCN(C)CC(F)F)c(O)c1 ZINC000858336436 645124302 /nfs/dbraw/zinc/12/43/02/645124302.db2.gz ICEDBVKJBRSDLP-UHFFFAOYSA-N 1 0 288.338 2.077 20 10 CECDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000858588234 645215346 /nfs/dbraw/zinc/21/53/46/645215346.db2.gz XNBBJGTUWVJCSB-NGZCFLSTSA-N 1 0 296.342 2.078 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCN(C)CC(F)F)c1 ZINC000858597807 645216945 /nfs/dbraw/zinc/21/69/45/645216945.db2.gz XMQHSXTWFJECIT-JTQLQIEISA-N 1 0 288.338 2.248 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN(C)CC(F)F)c1 ZINC000858597808 645217409 /nfs/dbraw/zinc/21/74/09/645217409.db2.gz XMQHSXTWFJECIT-SNVBAGLBSA-N 1 0 288.338 2.248 20 10 CECDRO Cc1cc(CC[NH2+][C@@H](C)CC(N)=O)c(C)n1-c1ccccc1 ZINC000761570643 645300331 /nfs/dbraw/zinc/30/03/31/645300331.db2.gz CQAPKYPCDNZGSV-ZDUSSCGKSA-N 1 0 299.418 2.490 20 10 CECDRO COc1cncc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000859257422 645438683 /nfs/dbraw/zinc/43/86/83/645438683.db2.gz AYXGUFQPNFMWAV-LBPRGKRZSA-N 1 0 286.379 2.402 20 10 CECDRO Cc1ccc(C)n1-c1ccc(C(=O)N2CC([NH+](C)C)C2)cc1 ZINC000763259440 645524128 /nfs/dbraw/zinc/52/41/28/645524128.db2.gz KOFINOJDUXWWQR-UHFFFAOYSA-N 1 0 297.402 2.480 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)c1 ZINC000763312396 645532233 /nfs/dbraw/zinc/53/22/33/645532233.db2.gz ANLRUPYASUBCRK-CQSZACIVSA-N 1 0 290.363 2.036 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC3(CC3)C(=O)O2)c1 ZINC000763728024 645571161 /nfs/dbraw/zinc/57/11/61/645571161.db2.gz CSJPBDWZCJZSBX-JQWIXIFHSA-N 1 0 291.347 2.147 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000763784427 645577504 /nfs/dbraw/zinc/57/75/04/645577504.db2.gz ZQPHTIJJBIJLJL-DOMZBBRYSA-N 1 0 288.391 2.499 20 10 CECDRO Cc1cc(O)c(C[N@H+](CC(N)=O)C2CCCC2)cc1C ZINC000768256358 646100740 /nfs/dbraw/zinc/10/07/40/646100740.db2.gz CZJCIFXHTARQGD-UHFFFAOYSA-N 1 0 276.380 2.239 20 10 CECDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C3=CC(=O)CS3)CC[C@H]21 ZINC000768265636 646102528 /nfs/dbraw/zinc/10/25/28/646102528.db2.gz VKWYNLKSQNWGLC-ZYHUDNBSSA-N 1 0 280.393 2.010 20 10 CECDRO CC[N@H+](CCC(=O)OC)Cc1cc(OC)c(C)cc1O ZINC000768449665 646125452 /nfs/dbraw/zinc/12/54/52/646125452.db2.gz XUYHMSQVUCULFC-UHFFFAOYSA-N 1 0 281.352 2.094 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCOC(C)(C)[C@H]2C)cc1OC ZINC000768462132 646126395 /nfs/dbraw/zinc/12/63/95/646126395.db2.gz JVPWICPDCNQUNO-LLVKDONJSA-N 1 0 295.379 2.409 20 10 CECDRO CCN(CC[NH3+])C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000861562608 646207641 /nfs/dbraw/zinc/20/76/41/646207641.db2.gz ZTDNCCWSABXKBK-UHFFFAOYSA-N 1 0 292.427 2.023 20 10 CECDRO CCOc1ccc(CN2CCO[C@H](CCF)C2)c(O)c1 ZINC000862530123 646484869 /nfs/dbraw/zinc/48/48/69/646484869.db2.gz IZQUGMFMQISUKB-CQSZACIVSA-N 1 0 283.343 2.351 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)cc1 ZINC000773048433 646700239 /nfs/dbraw/zinc/70/02/39/646700239.db2.gz RCBPVKKTCPCSON-QWHCGFSZSA-N 1 0 277.412 2.270 20 10 CECDRO CCOCc1cc(CN[C@@H]2CC[C@H](C)[NH2+]C2)ccc1OC ZINC000863485021 646740423 /nfs/dbraw/zinc/74/04/23/646740423.db2.gz RMAWKRICZOOXKB-XJKSGUPXSA-N 1 0 292.423 2.462 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CCO)C(C)C)cc1 ZINC000773745444 646771700 /nfs/dbraw/zinc/77/17/00/646771700.db2.gz BZRVPFQBUMXPQM-UHFFFAOYSA-N 1 0 250.386 2.345 20 10 CECDRO Cc1cc(Br)cc(CN(C)C[C@@H](C)[NH3+])c1O ZINC000863652798 646773584 /nfs/dbraw/zinc/77/35/84/646773584.db2.gz XBFLYKJDZATWBS-SECBINFHSA-N 1 0 287.201 2.242 20 10 CECDRO C[C@@H]1CC[C@H](NC/C=C\c2ccc(N(C)C)cc2)C[NH2+]1 ZINC000863650591 646777011 /nfs/dbraw/zinc/77/70/11/646777011.db2.gz WASOWMFZVSCUTO-PJFORWJISA-N 1 0 273.424 2.496 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)O[C@H](COC)C2)cc1 ZINC000773888798 646784717 /nfs/dbraw/zinc/78/47/17/646784717.db2.gz OJMUBHAPMJHAIH-YOEHRIQHSA-N 1 0 292.423 2.378 20 10 CECDRO CCCCNC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775829941 646997404 /nfs/dbraw/zinc/99/74/04/646997404.db2.gz BEJRNYZDOUJQTN-ZDUSSCGKSA-N 1 0 277.412 2.320 20 10 CECDRO CC[C@@H]1CCN(C(=[NH2+])NCc2cccc(OC)c2O)C1 ZINC000864456532 647011837 /nfs/dbraw/zinc/01/18/37/647011837.db2.gz IIELIIMMHJFDBL-LLVKDONJSA-N 1 0 277.368 2.157 20 10 CECDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000864470519 647023593 /nfs/dbraw/zinc/02/35/93/647023593.db2.gz ZWHFVUORCSGADH-XVKPBYJWSA-N 1 0 253.733 2.068 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2cnc(C3CC3)nc2)c1 ZINC000776252677 647042822 /nfs/dbraw/zinc/04/28/22/647042822.db2.gz FTHWNFGLGAZPAK-UHFFFAOYSA-N 1 0 299.374 2.401 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@@H]2OC)cc1OC ZINC000776257549 647043192 /nfs/dbraw/zinc/04/31/92/647043192.db2.gz YFXBDDNGPIUTFU-FZMZJTMJSA-N 1 0 295.379 2.314 20 10 CECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cn1cnnc1 ZINC000776757273 647087857 /nfs/dbraw/zinc/08/78/57/647087857.db2.gz LGKXESLCYLBGEJ-UHFFFAOYSA-N 1 0 273.384 2.212 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000776774629 647089689 /nfs/dbraw/zinc/08/96/89/647089689.db2.gz MGNOGWFODNLRLI-CQSZACIVSA-N 1 0 272.352 2.048 20 10 CECDRO Oc1ccccc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000779023970 647283139 /nfs/dbraw/zinc/28/31/39/647283139.db2.gz AEVVDJBYAYXUOV-HNNXBMFYSA-N 1 0 277.364 2.162 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000779152975 647292557 /nfs/dbraw/zinc/29/25/57/647292557.db2.gz IQENZDYLVIXXGS-GXTWGEPZSA-N 1 0 279.380 2.384 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1O ZINC000865694643 647427470 /nfs/dbraw/zinc/42/74/70/647427470.db2.gz VDVRMGSRZFJTGY-WVXQGFRLSA-N 1 0 289.375 2.304 20 10 CECDRO CCOc1ccc(O)c(CN(C)CC(=O)NC(C)(C)C)c1 ZINC000120695363 647431141 /nfs/dbraw/zinc/43/11/41/647431141.db2.gz CDDQWWAKVMBRJO-UHFFFAOYSA-N 1 0 294.395 2.137 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)C(F)(F)F ZINC000865710591 647433366 /nfs/dbraw/zinc/43/33/66/647433366.db2.gz CBZYKNXSRQOMEQ-SKDRFNHKSA-N 1 0 276.302 2.154 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1O ZINC000780892562 647478271 /nfs/dbraw/zinc/47/82/71/647478271.db2.gz LMXJPXRDSUUMQH-QWHCGFSZSA-N 1 0 279.380 2.384 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CC[C@@H](O)C1CCCC1)OCO2 ZINC000865875151 647517354 /nfs/dbraw/zinc/51/73/54/647517354.db2.gz LLVYIFQYSUXZMC-CYBMUJFWSA-N 1 0 293.363 2.152 20 10 CECDRO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc2ccccc2c1O ZINC000866498539 647807098 /nfs/dbraw/zinc/80/70/98/647807098.db2.gz ZCFAZZTXBJPYNT-HFBAOOFYSA-N 1 0 287.359 2.346 20 10 CECDRO COC[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000784668556 647873523 /nfs/dbraw/zinc/87/35/23/647873523.db2.gz QLZGUCKJTKYALC-GXTWGEPZSA-N 1 0 296.386 2.127 20 10 CECDRO CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868219079 648075235 /nfs/dbraw/zinc/07/52/35/648075235.db2.gz RQHNWVJVMMVYIS-LBPRGKRZSA-N 1 0 279.384 2.093 20 10 CECDRO COCC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCOC1 ZINC000787335038 648100560 /nfs/dbraw/zinc/10/05/60/648100560.db2.gz PIUHDXDZYLSMNP-CQSZACIVSA-N 1 0 296.386 2.129 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000787421825 648107403 /nfs/dbraw/zinc/10/74/03/648107403.db2.gz XFPYCGRKSXQSCV-WCQYABFASA-N 1 0 294.370 2.275 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)c(O)c1 ZINC000787420843 648107911 /nfs/dbraw/zinc/10/79/11/648107911.db2.gz KYLZOKDNDKSCTL-SMDDNHRTSA-N 1 0 293.363 2.174 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)OC)[C@H]2C)c1 ZINC000787421154 648108012 /nfs/dbraw/zinc/10/80/12/648108012.db2.gz NYSXTZHEWFAARV-BXUZGUMPSA-N 1 0 293.363 2.174 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC000788271129 648168034 /nfs/dbraw/zinc/16/80/34/648168034.db2.gz YODKCHKVQUFAHU-SKDRFNHKSA-N 1 0 255.745 2.309 20 10 CECDRO C[N@H+](Cc1cnc(Cl)cn1)Cc1ccccc1O ZINC000788493995 648194471 /nfs/dbraw/zinc/19/44/71/648194471.db2.gz LSAKJSVCAGVFJL-UHFFFAOYSA-N 1 0 263.728 2.468 20 10 CECDRO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000788585896 648205005 /nfs/dbraw/zinc/20/50/05/648205005.db2.gz XJKLZOPNZSPBSL-MRXNPFEDSA-N 1 0 299.422 2.229 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@]2(C)CO)c(O)c1 ZINC000789557788 648317111 /nfs/dbraw/zinc/31/71/11/648317111.db2.gz MVOQNKRKIJECQY-OAHLLOKOSA-N 1 0 265.353 2.138 20 10 CECDRO CC[C@@H]1[C@@H](C(=O)NCc2cc(C)ccc2O)CC[N@@H+]1C ZINC000869411625 648447527 /nfs/dbraw/zinc/44/75/27/648447527.db2.gz SLFNONOFPUUDLK-UONOGXRCSA-N 1 0 276.380 2.047 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1O ZINC000790936445 648462106 /nfs/dbraw/zinc/46/21/06/648462106.db2.gz CVKAHIXSIDAKQB-LBPRGKRZSA-N 1 0 285.771 2.257 20 10 CECDRO COc1cc(O)c(C[NH+]2[C@H](C)C[C@H]2C)cc1OC ZINC000793221028 648725488 /nfs/dbraw/zinc/72/54/88/648725488.db2.gz URPUPQBTGJRMAK-NXEZZACHSA-N 1 0 251.326 2.392 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)cc1C ZINC000873122548 649562858 /nfs/dbraw/zinc/56/28/58/649562858.db2.gz SUCMNDSHNREMCT-WBMJQRKESA-N 1 0 290.407 2.398 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873232023 649603394 /nfs/dbraw/zinc/60/33/94/649603394.db2.gz TYMYMJHVAJHBLX-IRXDYDNUSA-N 1 0 273.424 2.435 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCO[C@@H]2C)cc1 ZINC000878805377 651189638 /nfs/dbraw/zinc/18/96/38/651189638.db2.gz KTVIJBHXZOJCJC-HUUCEWRRSA-N 1 0 292.423 2.488 20 10 CECDRO CO[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@@](C)(CO)C1 ZINC000879261424 651272363 /nfs/dbraw/zinc/27/23/63/651272363.db2.gz KGBLYOSVXKSPMG-DOTOQJQBSA-N 1 0 292.423 2.033 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccccc1O ZINC000879649458 651335331 /nfs/dbraw/zinc/33/53/31/651335331.db2.gz UHBPITKWCFLNLB-RKDXNWHRSA-N 1 0 263.259 2.356 20 10 CECDRO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccccc2O)[nH]1 ZINC000879650724 651335680 /nfs/dbraw/zinc/33/56/80/651335680.db2.gz PNJUDRZCCGOJGN-JTQLQIEISA-N 1 0 260.341 2.485 20 10 CECDRO C[C@H]([NH2+]CCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000879650171 651335742 /nfs/dbraw/zinc/33/57/42/651335742.db2.gz NCICXCDKOFQFGR-IHRRRGAJSA-N 1 0 278.396 2.152 20 10 CECDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccccc1O ZINC000879650344 651335857 /nfs/dbraw/zinc/33/58/57/651335857.db2.gz VQURSUONRMJGGE-SNVBAGLBSA-N 1 0 290.323 2.156 20 10 CECDRO Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2O)no1 ZINC000879652374 651336092 /nfs/dbraw/zinc/33/60/92/651336092.db2.gz ZLWOSFWFUYXMRY-NSHDSACASA-N 1 0 289.335 2.368 20 10 CECDRO Cn1cccc1C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000128305371 651408547 /nfs/dbraw/zinc/40/85/47/651408547.db2.gz OBHVZOZXIRBTQO-UHFFFAOYSA-N 1 0 274.320 2.091 20 10 CECDRO C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1ccccc1O ZINC000881441437 651724355 /nfs/dbraw/zinc/72/43/55/651724355.db2.gz WWJIPLRCCJQLKM-LLVKDONJSA-N 1 0 262.353 2.054 20 10 CECDRO Cc1cncc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882880245 652246856 /nfs/dbraw/zinc/24/68/56/652246856.db2.gz JEPBFQCBCVQSNZ-UHFFFAOYSA-N 1 0 297.406 2.149 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)CC(F)F)c(Cl)c1 ZINC000883103897 652364584 /nfs/dbraw/zinc/36/45/84/652364584.db2.gz IXHWQNRRKDKIKJ-QMMMGPOBSA-N 1 0 279.714 2.460 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1cc(F)ccc1O ZINC000883395359 652454114 /nfs/dbraw/zinc/45/41/14/652454114.db2.gz RWIMCRKRFMBPEH-MFKMUULPSA-N 1 0 292.354 2.193 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1cc(F)ccc1O ZINC000883395358 652454304 /nfs/dbraw/zinc/45/43/04/652454304.db2.gz RWIMCRKRFMBPEH-GXFFZTMASA-N 1 0 292.354 2.193 20 10 CECDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000132101057 652495488 /nfs/dbraw/zinc/49/54/88/652495488.db2.gz QHRPATLVMCVIOE-DZGCQCFKSA-N 1 0 260.381 2.269 20 10 CECDRO Cc1coc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000884011168 652630308 /nfs/dbraw/zinc/63/03/08/652630308.db2.gz VQPUCIVEDQUYAY-CQSZACIVSA-N 1 0 287.363 2.084 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CCCCC2)c1 ZINC000135728274 652984055 /nfs/dbraw/zinc/98/40/55/652984055.db2.gz PBVPUOLPSQXXHM-LBPRGKRZSA-N 1 0 292.379 2.064 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1OC ZINC000839193482 805575093 /nfs/dbraw/zinc/57/50/93/805575093.db2.gz VACRJOCWNWCEBM-QWRGUYRKSA-N 1 0 281.377 2.099 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nn(C)cc2C)c1 ZINC000723488195 802874627 /nfs/dbraw/zinc/87/46/27/802874627.db2.gz KZFVTMXCARJMIP-NSHDSACASA-N 1 0 275.352 2.294 20 10 CECDRO C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccccc1O ZINC000690724255 802881026 /nfs/dbraw/zinc/88/10/26/802881026.db2.gz DQSFWHOYFDLCGS-JOYOIKCWSA-N 1 0 257.280 2.467 20 10 CECDRO NC(=O)c1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000036902822 814940762 /nfs/dbraw/zinc/94/07/62/814940762.db2.gz QCZRCUGFNYVXIQ-UHFFFAOYSA-N 1 0 290.750 2.434 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c1O ZINC001140743959 803513016 /nfs/dbraw/zinc/51/30/16/803513016.db2.gz GMYCMWGFNBZJCC-OAHLLOKOSA-N 1 0 263.337 2.161 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccccc1O ZINC000694591858 803571794 /nfs/dbraw/zinc/57/17/94/803571794.db2.gz WUQZTIWNNVJSTO-GXTWGEPZSA-N 1 0 297.420 2.400 20 10 CECDRO Cc1cc(CN2CC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC001204630170 803616949 /nfs/dbraw/zinc/61/69/49/803616949.db2.gz MXFQEIYDJNASPM-UHFFFAOYSA-N 1 0 269.392 2.499 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)C2([NH3+])CCC2)cc1 ZINC001118183557 814991170 /nfs/dbraw/zinc/99/11/70/814991170.db2.gz SXYNAUWBWAYKQP-UHFFFAOYSA-N 1 0 289.423 2.373 20 10 CECDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(Cl)ccc1O ZINC000037155664 815020216 /nfs/dbraw/zinc/02/02/16/815020216.db2.gz QJXXHBMCMTTZFA-JTQLQIEISA-N 1 0 265.744 2.420 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH+]2CC(C)(CO)C2)cc1 ZINC000839145461 805559197 /nfs/dbraw/zinc/55/91/97/805559197.db2.gz LJMRWLMCEPMMAA-PLNGDYQASA-N 1 0 260.381 2.080 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1 ZINC000696063722 807131487 /nfs/dbraw/zinc/13/14/87/807131487.db2.gz PDHNDDBKTYQRIL-MNOVXSKESA-N 1 0 265.353 2.212 20 10 CECDRO CCC1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233010079 807355380 /nfs/dbraw/zinc/35/53/80/807355380.db2.gz KJMOYRPJYKEOAD-UHFFFAOYSA-N 1 0 251.326 2.425 20 10 CECDRO Oc1cc(C[N@@H+]2CCC[C@H](F)CC2)cc(O)c1O ZINC001233010311 807356608 /nfs/dbraw/zinc/35/66/08/807356608.db2.gz OHDYVAJTIOFRPD-JTQLQIEISA-N 1 0 255.289 2.127 20 10 CECDRO C[NH+]1CC2(C1)CC[NH+](Cc1c([O-])ccc(F)c1F)CC2 ZINC001233335540 807395990 /nfs/dbraw/zinc/39/59/90/807395990.db2.gz ABAXCFVJIRLAJR-UHFFFAOYSA-N 1 0 282.334 2.198 20 10 CECDRO COc1cc(O)c(CN2CC[NH2+]CC2(C)C)c(Cl)c1 ZINC001235828232 807862027 /nfs/dbraw/zinc/86/20/27/807862027.db2.gz ZJOGWOBFJXFKBZ-UHFFFAOYSA-N 1 0 284.787 2.238 20 10 CECDRO CCC[C@@H](CCO)[NH2+]Cc1cccc(OC)c1O ZINC000716886632 815157232 /nfs/dbraw/zinc/15/72/32/815157232.db2.gz QHZVJUSNACRXNF-LBPRGKRZSA-N 1 0 253.342 2.042 20 10 CECDRO CC(C)(C)c1cccc(CN2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236030729 807944872 /nfs/dbraw/zinc/94/48/72/807944872.db2.gz RYSOBRBILCETIY-MLGOLLRUSA-N 1 0 260.381 2.223 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001237488341 808221483 /nfs/dbraw/zinc/22/14/83/808221483.db2.gz TTWPKLIUSOLMRM-UHFFFAOYSA-N 1 0 278.371 2.319 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1O ZINC001237681072 808239656 /nfs/dbraw/zinc/23/96/56/808239656.db2.gz KXEAJNZBFVZAFS-NWDGAFQWSA-N 1 0 273.735 2.259 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCn1cccn1 ZINC000083552097 808563252 /nfs/dbraw/zinc/56/32/52/808563252.db2.gz QFUSJUOIGXCVBC-UHFFFAOYSA-N 1 0 251.717 2.032 20 10 CECDRO [NH3+][C@@H]1CN(Cc2cc(F)c(Cl)cc2O)CC(F)(F)C1 ZINC001206145876 815234114 /nfs/dbraw/zinc/23/41/14/815234114.db2.gz KTCGWWFAVNWMDY-QMMMGPOBSA-N 1 0 294.704 2.353 20 10 CECDRO CC[NH+]1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001116433846 808809995 /nfs/dbraw/zinc/80/99/95/808809995.db2.gz LDOWWJOASJJCQU-UHFFFAOYSA-N 1 0 273.424 2.424 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CCCCO1 ZINC000700806705 809355751 /nfs/dbraw/zinc/35/57/51/809355751.db2.gz BJMRUZGABMSCEF-HNNXBMFYSA-N 1 0 260.381 2.467 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C2CSC2)c1O ZINC000701983776 809482587 /nfs/dbraw/zinc/48/25/87/809482587.db2.gz XJGZBFXSHZYRIS-UHFFFAOYSA-N 1 0 259.758 2.259 20 10 CECDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2c(O)cccc2F)C1 ZINC001137840034 809860554 /nfs/dbraw/zinc/86/05/54/809860554.db2.gz PSUMULCUWCMSNH-GFCCVEGCSA-N 1 0 264.344 2.200 20 10 CECDRO Cc1cc(C)c(C[NH2+][C@H]2CCN3C(=O)CC[C@@H]3C2)c(O)c1 ZINC001172163233 815325580 /nfs/dbraw/zinc/32/55/80/815325580.db2.gz UUAORNWVWBIZHC-UONOGXRCSA-N 1 0 288.391 2.252 20 10 CECDRO CN(C)c1ccc(CN2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000709030707 809941133 /nfs/dbraw/zinc/94/11/33/809941133.db2.gz HHOSRDUJRRCSNS-OAHLLOKOSA-N 1 0 261.413 2.456 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2ccns2)c1 ZINC000710009353 809978889 /nfs/dbraw/zinc/97/88/89/809978889.db2.gz KYVLYAPDJOLCQR-UHFFFAOYSA-N 1 0 264.350 2.190 20 10 CECDRO COC[C@@H](CC[NH2+][C@@H](C)c1cc(F)ccc1O)OC ZINC000710667685 810002795 /nfs/dbraw/zinc/00/27/95/810002795.db2.gz IGGUZHYUNHPWFQ-CMPLNLGQSA-N 1 0 271.332 2.233 20 10 CECDRO CN(C(=O)C1=CCC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC001121857945 815361470 /nfs/dbraw/zinc/36/14/70/815361470.db2.gz MBLCWTKOBDOXNY-UHFFFAOYSA-N 1 0 266.291 2.237 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C2CC([NH2+]C)C2)cc1 ZINC001121908998 815365481 /nfs/dbraw/zinc/36/54/81/815365481.db2.gz HOOQZINAVSKCGC-UHFFFAOYSA-N 1 0 289.423 2.147 20 10 CECDRO CC1=NO[C@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000822324377 810581199 /nfs/dbraw/zinc/58/11/99/810581199.db2.gz JWEHNICFKYTPFM-VIFPVBQESA-N 1 0 254.717 2.300 20 10 CECDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000822921522 810599922 /nfs/dbraw/zinc/59/99/22/810599922.db2.gz UTLYHVNZGSGUKR-CQSZACIVSA-N 1 0 276.380 2.130 20 10 CECDRO CCC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)OC ZINC000378848785 810676772 /nfs/dbraw/zinc/67/67/72/810676772.db2.gz UQKRUJGYSDVWKE-QGZVFWFLSA-N 1 0 292.423 2.428 20 10 CECDRO C[C@H](CC(=O)NCc1c(O)cccc1F)[C@@H]1CCC[NH2+]C1 ZINC001122258021 815397317 /nfs/dbraw/zinc/39/73/17/815397317.db2.gz HXLJJWYWAKQJIB-VXGBXAGGSA-N 1 0 294.370 2.173 20 10 CECDRO CC(C)OCC[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172437087 815436526 /nfs/dbraw/zinc/43/65/26/815436526.db2.gz YYNQAQALTZWUHF-LLVKDONJSA-N 1 0 281.352 2.074 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1O ZINC001168982083 811309697 /nfs/dbraw/zinc/30/96/97/811309697.db2.gz IKVJRLGUQSKPPG-GRYCIOLGSA-N 1 0 264.325 2.488 20 10 CECDRO CCN1CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001169261700 811451846 /nfs/dbraw/zinc/45/18/46/811451846.db2.gz MGJAXCHVBPLQMH-UHFFFAOYSA-N 1 0 260.381 2.235 20 10 CECDRO OCC1([NH2+]Cc2ccc(Br)cc2O)CCC1 ZINC000691427789 811656588 /nfs/dbraw/zinc/65/65/88/811656588.db2.gz HCMLRRFERJJJIX-UHFFFAOYSA-N 1 0 286.169 2.159 20 10 CECDRO COc1ccc(N(C)C(C)(C)C[NH3+])c2ccncc12 ZINC001170060245 812017950 /nfs/dbraw/zinc/01/79/50/812017950.db2.gz MCVWPEQEQXVIAM-UHFFFAOYSA-N 1 0 259.353 2.417 20 10 CECDRO C[C@H]1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001170106374 812156098 /nfs/dbraw/zinc/15/60/98/812156098.db2.gz YRBAGQPBZPRTPS-GXSJLCMTSA-N 1 0 251.326 2.124 20 10 CECDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)c1 ZINC001206182830 815559173 /nfs/dbraw/zinc/55/91/73/815559173.db2.gz DNVUOKSTUCHPOU-ZIAGYGMSSA-N 1 0 266.360 2.270 20 10 CECDRO COCC(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000385829915 813147092 /nfs/dbraw/zinc/14/70/92/813147092.db2.gz UJCYFZMDZRGEMC-UHFFFAOYSA-N 1 0 292.423 2.285 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc2ccccc2c1O ZINC000386973554 813196864 /nfs/dbraw/zinc/19/68/64/813196864.db2.gz RDFTXUIWGBPXIL-YPMHNXCESA-N 1 0 284.359 2.427 20 10 CECDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000389101797 813248023 /nfs/dbraw/zinc/24/80/23/813248023.db2.gz OOIPZRBSHJLKJB-STQMWFEESA-N 1 0 267.369 2.403 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cnccn2)c1 ZINC000390228932 813262470 /nfs/dbraw/zinc/26/24/70/813262470.db2.gz RJKLRZGVCHDXJJ-NSHDSACASA-N 1 0 273.336 2.084 20 10 CECDRO CCN1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000391552896 813285102 /nfs/dbraw/zinc/28/51/02/813285102.db2.gz UUYHGPAROUKKCV-GXTWGEPZSA-N 1 0 275.396 2.024 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@H](CO)C(C)C)c1O ZINC000394028356 813334669 /nfs/dbraw/zinc/33/46/69/813334669.db2.gz DHAMBUIBEWJZKC-LLVKDONJSA-N 1 0 287.787 2.408 20 10 CECDRO COc1ccc(N2CC[NH+](CCC3(O)CCC3)CC2)cc1 ZINC000396781897 813587576 /nfs/dbraw/zinc/58/75/76/813587576.db2.gz JNFRAWQBAAFPOB-UHFFFAOYSA-N 1 0 290.407 2.122 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CSC[C@@H]2C)c1 ZINC000397880779 813645030 /nfs/dbraw/zinc/64/50/30/813645030.db2.gz KGZYWSXCCOTDQN-JOYOIKCWSA-N 1 0 253.367 2.242 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CSC[C@H]2C)c1 ZINC000397880406 813645345 /nfs/dbraw/zinc/64/53/45/813645345.db2.gz KGZYWSXCCOTDQN-BXKDBHETSA-N 1 0 253.367 2.242 20 10 CECDRO Cc1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000397890881 813645665 /nfs/dbraw/zinc/64/56/65/813645665.db2.gz MEHYLUNMMZWMIF-UHFFFAOYSA-N 1 0 287.363 2.109 20 10 CECDRO FC(F)(F)OCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000398164677 813660578 /nfs/dbraw/zinc/66/05/78/813660578.db2.gz DPGXLAOGOGOINW-UHFFFAOYSA-N 1 0 261.243 2.248 20 10 CECDRO C[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001255633432 813819644 /nfs/dbraw/zinc/81/96/44/813819644.db2.gz RUIXQWGFDDYYTF-WRWORJQWSA-N 1 0 279.258 2.062 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCc3sccc3C2)c(O)c1 ZINC001144504366 814092443 /nfs/dbraw/zinc/09/24/43/814092443.db2.gz RCGOUEIWQJWDJI-UHFFFAOYSA-N 1 0 277.345 2.423 20 10 CECDRO C[NH+](C)C[C@@H]1CCCN1Cc1cc(F)ccc1O ZINC000234242847 814408434 /nfs/dbraw/zinc/40/84/34/814408434.db2.gz HGCFEBWFGSDFFE-ZDUSSCGKSA-N 1 0 252.333 2.057 20 10 CECDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001116752189 814879392 /nfs/dbraw/zinc/87/93/92/814879392.db2.gz CDUQXYYDMBPTKD-ZIAGYGMSSA-N 1 0 277.364 2.435 20 10 CECDRO CC[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccccc1O ZINC000714244779 814890831 /nfs/dbraw/zinc/89/08/31/814890831.db2.gz RNRRUJKEFCFPKX-GVXVVHGQSA-N 1 0 283.393 2.009 20 10 CECDRO Oc1cccc(F)c1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001137837910 815692283 /nfs/dbraw/zinc/69/22/83/815692283.db2.gz YQZJBBWNRFRCTE-GFCCVEGCSA-N 1 0 264.344 2.201 20 10 CECDRO C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CCC[C@@H]1O ZINC001138123709 815730228 /nfs/dbraw/zinc/73/02/28/815730228.db2.gz ILYQKPFYZPBJSU-GWCFXTLKSA-N 1 0 253.317 2.124 20 10 CECDRO C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CCCC1=O ZINC001138122529 815731700 /nfs/dbraw/zinc/73/17/00/815731700.db2.gz LEQPUTUJTLHVMF-JTQLQIEISA-N 1 0 251.301 2.332 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CC[C@@H]1O ZINC001138354378 815773099 /nfs/dbraw/zinc/77/30/99/815773099.db2.gz HLQVRYUTXXFCHN-DYVFJYSZSA-N 1 0 274.408 2.272 20 10 CECDRO CN1CCCc2cc(CN3CC[NH+](C4CC4)CC3)ccc21 ZINC001138354604 815774917 /nfs/dbraw/zinc/77/49/17/815774917.db2.gz PBDARJHVTQUOHD-UHFFFAOYSA-N 1 0 285.435 2.349 20 10 CECDRO CCS(=O)(=O)c1ccc(O)c(Nc2cc[nH+]cc2C)c1 ZINC001174537306 816025140 /nfs/dbraw/zinc/02/51/40/816025140.db2.gz BEPUQYIMUOXXCB-UHFFFAOYSA-N 1 0 292.360 2.055 20 10 CECDRO Cc1cc(C[N@H+](C)Cc2ccncn2)ccc1N(C)C ZINC001139674113 816077600 /nfs/dbraw/zinc/07/76/00/816077600.db2.gz OCZPINKPJYGPOG-UHFFFAOYSA-N 1 0 270.380 2.483 20 10 CECDRO CC[N@H+](Cc1cnn(CCOC)c1)Cc1ccccc1O ZINC001139781721 816112692 /nfs/dbraw/zinc/11/26/92/816112692.db2.gz HZRQBWJQBWRFML-UHFFFAOYSA-N 1 0 289.379 2.257 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001140057094 816178991 /nfs/dbraw/zinc/17/89/91/816178991.db2.gz BZBSPBJOHRZJJZ-CQSZACIVSA-N 1 0 271.307 2.218 20 10 CECDRO CCC[N@H+]1C[C@H]2CN(Cc3cc(F)ccc3O)C[C@H]2C1 ZINC001140060082 816180584 /nfs/dbraw/zinc/18/05/84/816180584.db2.gz KCDVARUWCOPKPI-OKILXGFUSA-N 1 0 278.371 2.305 20 10 CECDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001140464088 816260039 /nfs/dbraw/zinc/26/00/39/816260039.db2.gz BHYPUBTYGVXAMI-ZDUSSCGKSA-N 1 0 253.729 2.410 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)[C@H]1C ZINC001140623286 816307106 /nfs/dbraw/zinc/30/71/06/816307106.db2.gz NCPVTMDVHCEDCP-GXTWGEPZSA-N 1 0 277.364 2.474 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@@](C)(O)C2)c1O ZINC001140742474 816339277 /nfs/dbraw/zinc/33/92/77/816339277.db2.gz PLPPANAFMKKEMQ-OAHLLOKOSA-N 1 0 265.353 2.143 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCc3ccncc3C2)c1O ZINC001140749253 816343747 /nfs/dbraw/zinc/34/37/47/816343747.db2.gz TVYVYXWEALAHMV-UHFFFAOYSA-N 1 0 270.332 2.360 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCOCC23CCC3)c1O ZINC001140748771 816343831 /nfs/dbraw/zinc/34/38/31/816343831.db2.gz JOCQQWWSKWLMEW-UHFFFAOYSA-N 1 0 263.337 2.161 20 10 CECDRO CCN(CC)c1ccc(CN2CC(C)([NH+](C)C)C2)c(O)c1 ZINC001140855797 816383945 /nfs/dbraw/zinc/38/39/45/816383945.db2.gz KLGKADUCISQAES-UHFFFAOYSA-N 1 0 291.439 2.374 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCC3(COC3)C2)c(O)c1 ZINC001140850821 816383972 /nfs/dbraw/zinc/38/39/72/816383972.db2.gz VPVPPOFURKVQCU-UHFFFAOYSA-N 1 0 290.407 2.461 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC001140921453 816410718 /nfs/dbraw/zinc/41/07/18/816410718.db2.gz DLUYXNSAINBBOD-CYBMUJFWSA-N 1 0 268.788 2.363 20 10 CECDRO COCC[N@H+](Cc1ccc(C)cc1O)C1CCN(C)CC1 ZINC001140949550 816422029 /nfs/dbraw/zinc/42/20/29/816422029.db2.gz DJQDWNSABFXBIK-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO CC[N@H+](CCn1cccn1)Cc1ccc(C)cc1O ZINC001140951005 816423587 /nfs/dbraw/zinc/42/35/87/816423587.db2.gz SQJUIGHAIJZMCJ-UHFFFAOYSA-N 1 0 259.353 2.419 20 10 CECDRO Cc1ccc(C[N@H+]2CCC[C@@H]3CN(C)C[C@H]32)c(O)c1 ZINC001140951117 816423989 /nfs/dbraw/zinc/42/39/89/816423989.db2.gz ZOBIKLUWPFQFCV-UKRRQHHQSA-N 1 0 260.381 2.227 20 10 CECDRO Cc1ccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c(O)c1 ZINC001140954065 816424049 /nfs/dbraw/zinc/42/40/49/816424049.db2.gz KOSMQRAQWWFIDH-UHFFFAOYSA-N 1 0 288.391 2.145 20 10 CECDRO CN(c1cnn(CC[NH+]2CCCC2)c1)c1ccc(N)cc1 ZINC001176561809 816441652 /nfs/dbraw/zinc/44/16/52/816441652.db2.gz XLQIGWTXNNRKFO-UHFFFAOYSA-N 1 0 285.395 2.329 20 10 CECDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCCOC2)c(OC)c1 ZINC001141032582 816453143 /nfs/dbraw/zinc/45/31/43/816453143.db2.gz HRYIIAAVWOPPOG-NSHDSACASA-N 1 0 281.352 2.020 20 10 CECDRO O[C@@H]1CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074702 816469678 /nfs/dbraw/zinc/46/96/78/816469678.db2.gz RMRWQVGMYHTQQU-QGZVFWFLSA-N 1 0 286.419 2.342 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@](C)(O)CC3)ccc21 ZINC001141139951 816483754 /nfs/dbraw/zinc/48/37/54/816483754.db2.gz FYCGTKNRUBXZAP-KRWDZBQOSA-N 1 0 290.407 2.252 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCCC[C@](C)(O)C3)ccc21 ZINC001141141454 816485962 /nfs/dbraw/zinc/48/59/62/816485962.db2.gz YYLKBUVWBSZMRE-KRWDZBQOSA-N 1 0 290.407 2.252 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cc(O)ccc2O)CC[C@]1(C)O ZINC001141155986 816490852 /nfs/dbraw/zinc/49/08/52/816490852.db2.gz CVPKSXUIBNDULS-NHYWBVRUSA-N 1 0 265.353 2.081 20 10 CECDRO OCC[N@H+](Cc1cccs1)Cc1cc(O)ccc1O ZINC001141158566 816490926 /nfs/dbraw/zinc/49/09/26/816490926.db2.gz FBDPBKLJGZLMSF-UHFFFAOYSA-N 1 0 279.361 2.154 20 10 CECDRO C[N@H+](Cc1ccccc1O)Cc1cc(O)ccc1O ZINC001141160746 816492124 /nfs/dbraw/zinc/49/21/24/816492124.db2.gz HJPDALRVTCNVDI-UHFFFAOYSA-N 1 0 259.305 2.435 20 10 CECDRO Cc1nnc(C2CC[NH+](Cc3cc(O)ccc3O)CC2)o1 ZINC001141161480 816492233 /nfs/dbraw/zinc/49/22/33/816492233.db2.gz RVRTWCPUIAGMDA-UHFFFAOYSA-N 1 0 289.335 2.169 20 10 CECDRO COC(=O)N1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000067254785 816512909 /nfs/dbraw/zinc/51/29/09/816512909.db2.gz NUVFGVAVHCJWOY-UHFFFAOYSA-N 1 0 291.395 2.073 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000839192902 816566949 /nfs/dbraw/zinc/56/69/49/816566949.db2.gz QIEFPBURUINWBJ-AAEUAGOBSA-N 1 0 265.378 2.481 20 10 CECDRO COc1ccc(C[NH2+]C2(CO)CCSCC2)cc1C ZINC000839177458 816567193 /nfs/dbraw/zinc/56/71/93/816567193.db2.gz LBKUDYNZBBMNKS-UHFFFAOYSA-N 1 0 281.421 2.351 20 10 CECDRO C[N@H+](Cc1ccc(Cl)nn1)Cc1ccccc1O ZINC001142073188 816618346 /nfs/dbraw/zinc/61/83/46/816618346.db2.gz FGJSUWQDJAQEGC-UHFFFAOYSA-N 1 0 263.728 2.468 20 10 CECDRO Cc1cc(Br)cc(CN2CC[NH+](C)CC2)c1O ZINC000124494042 365653868 /nfs/dbraw/zinc/65/38/68/365653868.db2.gz OOYMMQWFSYMLND-UHFFFAOYSA-N 1 0 299.212 2.211 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)c(O)c1 ZINC000036976447 361877164 /nfs/dbraw/zinc/87/71/64/361877164.db2.gz XMCIWYWKZKFTSP-DGCLKSJQSA-N 1 0 262.353 2.020 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCOC2)c1 ZINC000037738139 361925313 /nfs/dbraw/zinc/92/53/13/361925313.db2.gz FYEHUCFLVKLYDN-QWRGUYRKSA-N 1 0 251.326 2.088 20 10 CECDRO CC[C@H](C(=O)NCc1c(C)c2ccccc2n1C)[NH+](C)C ZINC000352125909 529609936 /nfs/dbraw/zinc/60/99/36/529609936.db2.gz NSVCYCFOYDLQJF-CQSZACIVSA-N 1 0 287.407 2.443 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000092470984 344191278 /nfs/dbraw/zinc/19/12/78/344191278.db2.gz JSJZHYKPWLJJDL-CYBMUJFWSA-N 1 0 265.353 2.138 20 10 CECDRO COc1ccc(N2CCC[N@H+](Cc3cncnc3)CC2)cc1 ZINC000130524483 365964749 /nfs/dbraw/zinc/96/47/49/365964749.db2.gz CBIORBVJCDIRON-UHFFFAOYSA-N 1 0 298.390 2.198 20 10 CECDRO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1O ZINC000134236468 366300671 /nfs/dbraw/zinc/30/06/71/366300671.db2.gz HYKRFQNFVMLLIR-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO C[C@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000134834999 366364601 /nfs/dbraw/zinc/36/46/01/366364601.db2.gz NWZHVBGMCUEXMR-YUMQZZPRSA-N 1 0 274.158 2.186 20 10 CECDRO COCC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000156034466 366826146 /nfs/dbraw/zinc/82/61/46/366826146.db2.gz BQNDNAGIUILCDI-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO Cc1ccc(O)c(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000156075151 366827158 /nfs/dbraw/zinc/82/71/58/366827158.db2.gz QCMPRORBXMTPCZ-DZGCQCFKSA-N 1 0 260.381 2.369 20 10 CECDRO CCC(CC)[C@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000111404457 364734757 /nfs/dbraw/zinc/73/47/57/364734757.db2.gz JRBBMWBUUHDRGP-CYBMUJFWSA-N 1 0 281.352 2.008 20 10 CECDRO CN(C)C1(C[NH2+]Cc2c(O)cccc2Cl)CCOCC1 ZINC000113959414 364920277 /nfs/dbraw/zinc/92/02/77/364920277.db2.gz LYGXFTMQOFBIGU-UHFFFAOYSA-N 1 0 298.814 2.246 20 10 CECDRO CN(Cc1ccco1)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000114721360 364959242 /nfs/dbraw/zinc/95/92/42/364959242.db2.gz XGNJMUZSNKSWTM-UHFFFAOYSA-N 1 0 288.347 2.076 20 10 CECDRO CC(C)(CO)[NH2+]Cc1cc(Br)ccc1O ZINC000116341366 365050946 /nfs/dbraw/zinc/05/09/46/365050946.db2.gz AFSBOQRGLMBGIT-UHFFFAOYSA-N 1 0 274.158 2.015 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000245721539 370863567 /nfs/dbraw/zinc/86/35/67/370863567.db2.gz DJLCDXSKEHYRHH-HZPDHXFCSA-N 1 0 277.364 2.080 20 10 CECDRO COC(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(C)c1O ZINC000179661205 368346645 /nfs/dbraw/zinc/34/66/45/368346645.db2.gz LYTAYDOFWOLUQP-LBPRGKRZSA-N 1 0 283.755 2.491 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(F)ccc1O ZINC000181234776 368435273 /nfs/dbraw/zinc/43/52/73/368435273.db2.gz RATOBHMDTIGVPI-ZJUUUORDSA-N 1 0 282.359 2.485 20 10 CECDRO C[C@@H]([NH2+]CCCCCO)c1ccc(N2CCOCC2)cc1 ZINC000181256225 368437726 /nfs/dbraw/zinc/43/77/26/368437726.db2.gz BJBLEVAMBKCGHG-OAHLLOKOSA-N 1 0 292.423 2.336 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H](C)N1CCOCC1 ZINC000185376555 368800016 /nfs/dbraw/zinc/80/00/16/368800016.db2.gz YGBFPSJMJKAGQU-FRRDWIJNSA-N 1 0 296.386 2.291 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H](C)N1CCOCC1 ZINC000297766284 299395812 /nfs/dbraw/zinc/39/58/12/299395812.db2.gz OZZGNGZRFFHAOB-KCQAQPDRSA-N 1 0 290.407 2.078 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c1O ZINC000188331283 369339850 /nfs/dbraw/zinc/33/98/50/369339850.db2.gz RIHWQKHFJLCQHP-FZMZJTMJSA-N 1 0 265.353 2.258 20 10 CECDRO Cc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(C)C)c1O ZINC000188922700 369429307 /nfs/dbraw/zinc/42/93/07/369429307.db2.gz OEFRNZJXVUTMSC-AWEZNQCLSA-N 1 0 276.380 2.047 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)OC)c1O ZINC000189119754 369462310 /nfs/dbraw/zinc/46/23/10/369462310.db2.gz MCSIHBVNVZINBQ-WDEREUQCSA-N 1 0 253.342 2.304 20 10 CECDRO [NH3+][C@@H]1CC=C(C(=O)N2CCc3c2cccc3Cl)C1 ZINC000637999753 370228495 /nfs/dbraw/zinc/22/84/95/370228495.db2.gz IQPPLOQJUAZZGE-SNVBAGLBSA-N 1 0 262.740 2.277 20 10 CECDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C(=O)NCCF ZINC000282791858 296158722 /nfs/dbraw/zinc/15/87/22/296158722.db2.gz QGWQSNNDESBELX-RKDXNWHRSA-N 1 0 288.750 2.170 20 10 CECDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000268739542 372204658 /nfs/dbraw/zinc/20/46/58/372204658.db2.gz RETFCABGMJFRJS-QWHCGFSZSA-N 1 0 277.412 2.318 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)C(F)(F)F ZINC000270966528 373038508 /nfs/dbraw/zinc/03/85/08/373038508.db2.gz ILMXHBLJAMGBIY-WCQYABFASA-N 1 0 289.297 2.413 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000366449958 373052189 /nfs/dbraw/zinc/05/21/89/373052189.db2.gz FZAVJLWYZCDTCS-YOEHRIQHSA-N 1 0 291.391 2.471 20 10 CECDRO COC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271158841 373151050 /nfs/dbraw/zinc/15/10/50/373151050.db2.gz DZNYRJVYXQAKJB-CYBMUJFWSA-N 1 0 266.360 2.360 20 10 CECDRO Cc1nc(CC[N@@H+](C)Cc2c(O)cccc2Cl)no1 ZINC000271158758 373152406 /nfs/dbraw/zinc/15/24/06/373152406.db2.gz IBRUICLJMDIHKI-UHFFFAOYSA-N 1 0 281.743 2.412 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCOC2)cc1F ZINC000271174340 373160588 /nfs/dbraw/zinc/16/05/88/373160588.db2.gz GWADSLGJEBZXKI-ZDUSSCGKSA-N 1 0 266.360 2.360 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000271450593 373192999 /nfs/dbraw/zinc/19/29/99/373192999.db2.gz RTBMTRUNWYIOEI-CQSZACIVSA-N 1 0 277.364 2.476 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000272267703 373397535 /nfs/dbraw/zinc/39/75/35/373397535.db2.gz BHWSAPQRFQTZKG-RDJZCZTQSA-N 1 0 273.424 2.279 20 10 CECDRO OC[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000272388277 373458095 /nfs/dbraw/zinc/45/80/95/373458095.db2.gz IQEXAGJHIWXRSQ-MJHDQNEOSA-N 1 0 253.317 2.172 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@H]32)c1O ZINC000272700955 373620766 /nfs/dbraw/zinc/62/07/66/373620766.db2.gz YQMGXUFWANMAGS-UKRRQHHQSA-N 1 0 290.407 2.317 20 10 CECDRO COC[C@H](C[NH2+]Cc1cc(Cl)cc(C)c1O)OC ZINC000272825616 373669889 /nfs/dbraw/zinc/66/98/89/373669889.db2.gz HBCGTMPOFVSXBT-LBPRGKRZSA-N 1 0 273.760 2.105 20 10 CECDRO Cc1cc(C(=O)NC[C@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC000272988720 373740978 /nfs/dbraw/zinc/74/09/78/373740978.db2.gz FDBXEIPWFAKLIB-HNNXBMFYSA-N 1 0 297.402 2.433 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1 ZINC000273603129 373766210 /nfs/dbraw/zinc/76/62/10/373766210.db2.gz SJOAVRSLWDPHGQ-LBPRGKRZSA-N 1 0 276.380 2.397 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1O ZINC000373807693 374423414 /nfs/dbraw/zinc/42/34/14/374423414.db2.gz WHWSKIAZIGFOFL-ZBFHGGJFSA-N 1 0 293.338 2.391 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000374998462 374638643 /nfs/dbraw/zinc/63/86/43/374638643.db2.gz NLLQCFMNIJXDMZ-QWHCGFSZSA-N 1 0 277.364 2.259 20 10 CECDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000281719270 375393857 /nfs/dbraw/zinc/39/38/57/375393857.db2.gz UMIBUXRSBGOTPD-WFASDCNBSA-N 1 0 293.407 2.319 20 10 CECDRO COc1ccc(O)c(CN(C)CCC[NH+]2CCCC2)c1 ZINC000281311236 375371891 /nfs/dbraw/zinc/37/18/91/375371891.db2.gz QOHMOZSIJVXVDZ-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO OC[C@@]1([NH2+]Cc2ccccc2O)CCOc2ccccc21 ZINC000282285863 375448635 /nfs/dbraw/zinc/44/86/35/375448635.db2.gz IOMXYHMPOLNWMK-KRWDZBQOSA-N 1 0 285.343 2.152 20 10 CECDRO C[C@H]([NH2+]CCN(C)C)c1cc(Br)ccc1O ZINC000286871802 376090141 /nfs/dbraw/zinc/09/01/41/376090141.db2.gz BVUBDMYWADYXRF-VIFPVBQESA-N 1 0 287.201 2.367 20 10 CECDRO COc1ccc(N2CC[NH+](CCOC3CCC3)CC2)cc1 ZINC000287396330 376223637 /nfs/dbraw/zinc/22/36/37/376223637.db2.gz RPRAGZPGVJTKOE-UHFFFAOYSA-N 1 0 290.407 2.386 20 10 CECDRO COc1ccc(O)c(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1 ZINC000289335147 376391226 /nfs/dbraw/zinc/39/12/26/376391226.db2.gz HEGUTZXCQWKAGN-BJHJDKERSA-N 1 0 251.326 2.010 20 10 CECDRO Cc1nocc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000293696017 377705076 /nfs/dbraw/zinc/70/50/76/377705076.db2.gz WTACRDPFQPVPKG-UHFFFAOYSA-N 1 0 263.316 2.478 20 10 CECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(OC)ccc1O ZINC000293808709 377767753 /nfs/dbraw/zinc/76/77/53/377767753.db2.gz DYESNGWREZUUJP-LBPRGKRZSA-N 1 0 294.395 2.043 20 10 CECDRO CC(F)(F)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000294178764 377930553 /nfs/dbraw/zinc/93/05/53/377930553.db2.gz JZERIKAQVQYNTM-UHFFFAOYSA-N 1 0 259.252 2.256 20 10 CECDRO CCC[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000294775275 378018073 /nfs/dbraw/zinc/01/80/73/378018073.db2.gz NGVGSNFSKKFPIP-ZDUSSCGKSA-N 1 0 277.412 2.099 20 10 CECDRO CCOc1cccc(C[NH2+]CCC(C)(C)CO)c1O ZINC000294915874 378027628 /nfs/dbraw/zinc/02/76/28/378027628.db2.gz YJWSFZMUGXBIJJ-UHFFFAOYSA-N 1 0 267.369 2.289 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccccc1O ZINC000295193036 378047278 /nfs/dbraw/zinc/04/72/78/378047278.db2.gz XNUKLRZVPXFQSU-ZBFHGGJFSA-N 1 0 292.423 2.280 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCN(C3CC3)C[C@@H](C)C2)c1 ZINC000296082224 378411817 /nfs/dbraw/zinc/41/18/17/378411817.db2.gz QPRHJGATHHYWFS-ZDUSSCGKSA-N 1 0 290.407 2.317 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H](O)C(F)F ZINC000296493880 378551352 /nfs/dbraw/zinc/55/13/52/378551352.db2.gz OTRCHNQAGJIQCN-CWSCBRNRSA-N 1 0 271.307 2.374 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)c(O)c1 ZINC000036932532 260052659 /nfs/dbraw/zinc/05/26/59/260052659.db2.gz MCRDXJBHDAOPEN-ZIAGYGMSSA-N 1 0 278.396 2.072 20 10 CECDRO CN1CCc2cc(C[NH2+]C[C@H]3CCn4ccnc4C3)ccc21 ZINC000366751921 130092484 /nfs/dbraw/zinc/09/24/84/130092484.db2.gz QFSZVDHRVKIEII-HNNXBMFYSA-N 1 0 296.418 2.228 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC[C@H]2CCCCO2)c1 ZINC000227521983 394473569 /nfs/dbraw/zinc/47/35/69/394473569.db2.gz GXHUUAQQXUMHTH-CYBMUJFWSA-N 1 0 265.353 2.450 20 10 CECDRO COCC[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000228590972 394475609 /nfs/dbraw/zinc/47/56/09/394475609.db2.gz SWPRAALMDYHZLH-UHFFFAOYSA-N 1 0 259.733 2.132 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c1O ZINC000093813689 394668397 /nfs/dbraw/zinc/66/83/97/394668397.db2.gz VEIVACDPDXOABM-MRXNPFEDSA-N 1 0 293.363 2.176 20 10 CECDRO COc1cccc(C[N@@H+]2CCOC3(CCC3)C2)c1O ZINC000093640416 394668455 /nfs/dbraw/zinc/66/84/55/394668455.db2.gz SGRQMPBIWDNOJE-UHFFFAOYSA-N 1 0 263.337 2.156 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)[C@@H](C)O)c1 ZINC000270749250 394739232 /nfs/dbraw/zinc/73/92/32/394739232.db2.gz XULNUHNTRYWCSQ-SNVBAGLBSA-N 1 0 253.342 2.040 20 10 CECDRO C[C@H]1SCC[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1C ZINC000118381772 394760762 /nfs/dbraw/zinc/76/07/62/394760762.db2.gz RZMFINMSBWQIDD-NXEZZACHSA-N 1 0 281.377 2.447 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@](C)(O)CSC)c(O)c1 ZINC000120679771 394782018 /nfs/dbraw/zinc/78/20/18/394782018.db2.gz FZKVCWCISSDJAE-OAHLLOKOSA-N 1 0 299.436 2.385 20 10 CECDRO Cn1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000121303840 394795361 /nfs/dbraw/zinc/79/53/61/394795361.db2.gz LAGKHYIYMUSTFJ-UHFFFAOYSA-N 1 0 299.418 2.494 20 10 CECDRO CC[C@@H]([NH2+]CCCC(=O)NC)c1ccc(C)cc1O ZINC000280113175 394845811 /nfs/dbraw/zinc/84/58/11/394845811.db2.gz NSTPNIWRPUTGRG-CYBMUJFWSA-N 1 0 264.369 2.268 20 10 CECDRO CC[C@@H]1CO[C@@H](C)CN1Cc1cc2c(cc1O)OCO2 ZINC000131514067 394912579 /nfs/dbraw/zinc/91/25/79/394912579.db2.gz SKQACKSKQZDFOL-CMPLNLGQSA-N 1 0 279.336 2.120 20 10 CECDRO COc1cccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c1O ZINC000282395569 394918950 /nfs/dbraw/zinc/91/89/50/394918950.db2.gz RJHXGEFLWXVUKS-DGCLKSJQSA-N 1 0 265.353 2.400 20 10 CECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)COC ZINC000282573081 394920822 /nfs/dbraw/zinc/92/08/22/394920822.db2.gz ZTAWPSKWIPIREZ-AWEZNQCLSA-N 1 0 267.369 2.002 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000132108406 394924733 /nfs/dbraw/zinc/92/47/33/394924733.db2.gz FPVNSADWQZDMAU-KRWDZBQOSA-N 1 0 269.344 2.316 20 10 CECDRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1cc(C)ccc1O)C2 ZINC000372951711 395050137 /nfs/dbraw/zinc/05/01/37/395050137.db2.gz JXDOCOGCWSJSHU-WMLDXEAASA-N 1 0 289.375 2.476 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000373634443 395063652 /nfs/dbraw/zinc/06/36/52/395063652.db2.gz FAWQULBBIYKYFV-BLLLJJGKSA-N 1 0 295.354 2.301 20 10 CECDRO Cc1cccc(C[NH2+]CCCOC[C@@H]2CCCO2)c1O ZINC000158080385 395036702 /nfs/dbraw/zinc/03/67/02/395036702.db2.gz QDTJUSRBODRFCU-HNNXBMFYSA-N 1 0 279.380 2.376 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372493050 395042095 /nfs/dbraw/zinc/04/20/95/395042095.db2.gz UFTSUVWYZNMDJU-YOEHRIQHSA-N 1 0 288.391 2.130 20 10 CECDRO Oc1cccc(CN2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000179567505 395195173 /nfs/dbraw/zinc/19/51/73/395195173.db2.gz SGNPNYKLDVSCNB-UHFFFAOYSA-N 1 0 298.386 2.416 20 10 CECDRO c1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000218430666 400308567 /nfs/dbraw/zinc/30/85/67/400308567.db2.gz WRNHFEGCICMEFG-HOTGVXAUSA-N 1 0 272.392 2.338 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](CC(C)C)CN(C)C)c1 ZINC000037166518 260072175 /nfs/dbraw/zinc/07/21/75/260072175.db2.gz WGIKYNYUSFNNHY-AWEZNQCLSA-N 1 0 280.412 2.467 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2)cc1 ZINC000077900122 260167364 /nfs/dbraw/zinc/16/73/64/260167364.db2.gz XFZQBDXEMIPOHM-HNNXBMFYSA-N 1 0 289.423 2.243 20 10 CECDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(N(C)C)cc1 ZINC000159495822 261187500 /nfs/dbraw/zinc/18/75/00/261187500.db2.gz YELRKPYFRKZOMG-AWEZNQCLSA-N 1 0 289.423 2.416 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N(C)C)cc1 ZINC000159827592 261195426 /nfs/dbraw/zinc/19/54/26/261195426.db2.gz BSJFQCINOBEYHH-UHFFFAOYSA-N 1 0 277.412 2.053 20 10 CECDRO CN1CCc2cc(C[NH2+][C@H]3CCO[C@H]3C3CC3)ccc21 ZINC000300410931 261198841 /nfs/dbraw/zinc/19/88/41/261198841.db2.gz KJQBIHGNFLGNFL-RDJZCZTQSA-N 1 0 272.392 2.336 20 10 CECDRO CC[C@H]([NH2+]CC1(C)OCCO1)c1ccccc1O ZINC000186306926 262087632 /nfs/dbraw/zinc/08/76/32/262087632.db2.gz FTMBTTZBPKGSIL-LBPRGKRZSA-N 1 0 251.326 2.196 20 10 CECDRO C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccccc1O ZINC000186857664 262113073 /nfs/dbraw/zinc/11/30/73/262113073.db2.gz YWCDXBYJGQBXJI-LBPRGKRZSA-N 1 0 285.409 2.258 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cnn(C)c2)c1 ZINC000148785231 263382307 /nfs/dbraw/zinc/38/23/07/263382307.db2.gz SPGYYTCWGBRCGG-NSHDSACASA-N 1 0 275.352 2.028 20 10 CECDRO CN(Cc1cc(F)ccc1O)CC1([NH+](C)C)CCC1 ZINC000189008384 264261865 /nfs/dbraw/zinc/26/18/65/264261865.db2.gz NUWJEKWWNGREOD-UHFFFAOYSA-N 1 0 266.360 2.447 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@]2(O)CCCC2(C)C)c1 ZINC000293696884 264971190 /nfs/dbraw/zinc/97/11/90/264971190.db2.gz REAJYKFENPSUEE-MRXNPFEDSA-N 1 0 279.380 2.432 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000368351861 267164870 /nfs/dbraw/zinc/16/48/70/267164870.db2.gz LSFDXTNWCWEPLX-GXTWGEPZSA-N 1 0 297.420 2.210 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1O ZINC000368467979 267175279 /nfs/dbraw/zinc/17/52/79/267175279.db2.gz CFDOBZLAKFJWPJ-XHDPSFHLSA-N 1 0 293.338 2.345 20 10 CECDRO COc1ccc(N2CCC([NH2+]CCF)CC2)cc1 ZINC000368536043 267181831 /nfs/dbraw/zinc/18/18/31/267181831.db2.gz CQXGCUQMZYAWBR-UHFFFAOYSA-N 1 0 252.333 2.223 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000368800347 267206699 /nfs/dbraw/zinc/20/66/99/267206699.db2.gz NLNAAKHSVSYBPO-NSHDSACASA-N 1 0 253.729 2.002 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)cc1C ZINC000377113266 268048321 /nfs/dbraw/zinc/04/83/21/268048321.db2.gz NAKSGNJIXONTJX-YOEHRIQHSA-N 1 0 288.391 2.156 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)cc1 ZINC000288644687 273821509 /nfs/dbraw/zinc/82/15/09/273821509.db2.gz UQTXRLBTSWFMGR-SJLPKXTDSA-N 1 0 298.386 2.337 20 10 CECDRO COc1cccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1O ZINC000527766945 313200702 /nfs/dbraw/zinc/20/07/02/313200702.db2.gz RKIBGKPQIXEXGH-ABAIWWIYSA-N 1 0 263.337 2.058 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000271842460 328197845 /nfs/dbraw/zinc/19/78/45/328197845.db2.gz RDZBTHDBFOTLBM-NWDGAFQWSA-N 1 0 265.353 2.306 20 10 CECDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000258879611 326879606 /nfs/dbraw/zinc/87/96/06/326879606.db2.gz HVXYUPSDBPBWDD-UHFFFAOYSA-N 1 0 265.353 2.292 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1 ZINC000294002320 327194658 /nfs/dbraw/zinc/19/46/58/327194658.db2.gz MHLSOKBPUJHNHG-NHYWBVRUSA-N 1 0 265.353 2.042 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000374326288 328992035 /nfs/dbraw/zinc/99/20/35/328992035.db2.gz DNRJVYJKTDYFAU-UHFFFAOYSA-N 1 0 251.301 2.286 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1O ZINC000180773503 329222930 /nfs/dbraw/zinc/22/29/30/329222930.db2.gz HSRSUXHMHMKIME-AWEZNQCLSA-N 1 0 286.379 2.204 20 10 CECDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)C1CCOCC1 ZINC000226615600 329262244 /nfs/dbraw/zinc/26/22/44/329262244.db2.gz FXXINJUKUCDPCL-JTQLQIEISA-N 1 0 253.317 2.436 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000186945221 329350482 /nfs/dbraw/zinc/35/04/82/329350482.db2.gz JKTBDALNCIHXEQ-OAGGEKHMSA-N 1 0 260.381 2.410 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1O ZINC000190347168 329395283 /nfs/dbraw/zinc/39/52/83/329395283.db2.gz PBJAYHXDSMQAGF-UMVBOHGHSA-N 1 0 277.364 2.448 20 10 CECDRO CCCN(CC)CC[NH2+]Cc1cc(OC)ccc1O ZINC000224900075 333227278 /nfs/dbraw/zinc/22/72/78/333227278.db2.gz UJCBEWNCBRTSAU-UHFFFAOYSA-N 1 0 266.385 2.222 20 10 CECDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(F)ccc1O ZINC000226584568 333265620 /nfs/dbraw/zinc/26/56/20/333265620.db2.gz WBXJWQVMYOROTK-CYBMUJFWSA-N 1 0 275.327 2.432 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CC[C@@H]1CCCCO1)OCO2 ZINC000227338507 333281078 /nfs/dbraw/zinc/28/10/78/333281078.db2.gz BDEZBPRDCZTRLN-LBPRGKRZSA-N 1 0 279.336 2.170 20 10 CECDRO COC[C@H](O)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000231605714 333326178 /nfs/dbraw/zinc/32/61/78/333326178.db2.gz ITQNHELWEIXMNJ-QGZVFWFLSA-N 1 0 292.423 2.164 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1OC ZINC000529670093 333505117 /nfs/dbraw/zinc/50/51/17/333505117.db2.gz QZIPGNKCCZAXDU-YPIXOSSWSA-N 1 0 295.379 2.311 20 10 CECDRO CC(C)C[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)N(C)C ZINC000042879585 519212316 /nfs/dbraw/zinc/21/23/16/519212316.db2.gz FQGFQURJMMAAGU-ZDUSSCGKSA-N 1 0 294.395 2.187 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@@H](O)CC)ccc1OC ZINC000291733754 520185501 /nfs/dbraw/zinc/18/55/01/520185501.db2.gz NZKAPWQYTJIISD-AWEZNQCLSA-N 1 0 267.369 2.092 20 10 CECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(C)ccc1O ZINC000292517100 520608556 /nfs/dbraw/zinc/60/85/56/520608556.db2.gz DOYBQCZWXPTHFV-CYBMUJFWSA-N 1 0 278.396 2.343 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCOCC2(C)C)c1 ZINC000130905809 521147373 /nfs/dbraw/zinc/14/73/73/521147373.db2.gz VYKCRRHVFRNARF-UHFFFAOYSA-N 1 0 265.353 2.402 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC2([S@](C)=O)CCC2)c1 ZINC000280599185 521150426 /nfs/dbraw/zinc/15/04/26/521150426.db2.gz JEFCUFNVABEGFT-FQEVSTJZSA-N 1 0 297.420 2.182 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCC(C)(C)CO)c1 ZINC000294878793 521150926 /nfs/dbraw/zinc/15/09/26/521150926.db2.gz VIGBXVCXPKXGDN-UHFFFAOYSA-N 1 0 267.369 2.289 20 10 CECDRO CCC[C@]1(CO)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000290247282 521320761 /nfs/dbraw/zinc/32/07/61/521320761.db2.gz VITFQESPNZASBE-INIZCTEOSA-N 1 0 279.380 2.385 20 10 CECDRO CCOc1cccc(C[NH2+]CCCCOC)c1O ZINC000044655534 521362597 /nfs/dbraw/zinc/36/25/97/521362597.db2.gz SGMKRQMSTHCKTH-UHFFFAOYSA-N 1 0 253.342 2.307 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)CCOC)c1O ZINC000112018223 521369030 /nfs/dbraw/zinc/36/90/30/521369030.db2.gz IDAVTXABASAIRT-NSHDSACASA-N 1 0 253.342 2.306 20 10 CECDRO CCC[N@H+](CCC(=O)N(C)CC)Cc1ccccc1O ZINC000130567258 521628487 /nfs/dbraw/zinc/62/84/87/521628487.db2.gz ACXPYYXRBGUYFR-UHFFFAOYSA-N 1 0 278.396 2.473 20 10 CECDRO CCCN(CCC)c1ccc(C[NH2+][C@@H](CO)COC)cc1 ZINC000279927610 521650689 /nfs/dbraw/zinc/65/06/89/521650689.db2.gz XWGCVQYOUNABEJ-INIZCTEOSA-N 1 0 294.439 2.410 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000236733180 521689029 /nfs/dbraw/zinc/68/90/29/521689029.db2.gz KXJHTACQCRRAHQ-GXTWGEPZSA-N 1 0 276.380 2.258 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000236732878 521689358 /nfs/dbraw/zinc/68/93/58/521689358.db2.gz KXJHTACQCRRAHQ-OCCSQVGLSA-N 1 0 276.380 2.258 20 10 CECDRO COc1c(O)c(C[N@@H+]2CCSC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278232079 521869001 /nfs/dbraw/zinc/86/90/01/521869001.db2.gz MYKUWKLQIMXZOW-VIFPVBQESA-N 1 0 298.364 2.246 20 10 CECDRO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801159 521941755 /nfs/dbraw/zinc/94/17/55/521941755.db2.gz XVDKCXHGPZFDRU-WFASDCNBSA-N 1 0 277.412 2.084 20 10 CECDRO C[NH2+]CCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000237106666 522010245 /nfs/dbraw/zinc/01/02/45/522010245.db2.gz VMRRIDWPUILXJE-UHFFFAOYSA-N 1 0 289.354 2.182 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000037997311 522153663 /nfs/dbraw/zinc/15/36/63/522153663.db2.gz RPWDULQMQHKLBK-CYBMUJFWSA-N 1 0 278.396 2.398 20 10 CECDRO COC[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000279762528 522303437 /nfs/dbraw/zinc/30/34/37/522303437.db2.gz JGVQDUJHCXARNW-MRXNPFEDSA-N 1 0 287.359 2.156 20 10 CECDRO CC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000040855912 522323505 /nfs/dbraw/zinc/32/35/05/522323505.db2.gz LQTPVDCOTBIFSM-INIZCTEOSA-N 1 0 289.423 2.373 20 10 CECDRO CC[C@H]([NH2+]CCN(C)CCOC)c1ccc(C)cc1O ZINC000280251822 522591595 /nfs/dbraw/zinc/59/15/95/522591595.db2.gz WREKQGVUEOOAST-HNNXBMFYSA-N 1 0 280.412 2.320 20 10 CECDRO CC[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(C)cc1O ZINC000280022411 522592896 /nfs/dbraw/zinc/59/28/96/522592896.db2.gz HOKUEAVPTNJLSQ-AWEZNQCLSA-N 1 0 276.380 2.268 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1ncnn1C)c1ccccc1O ZINC000276696460 522745365 /nfs/dbraw/zinc/74/53/65/522745365.db2.gz VHQVQCAZWHKUFU-PWSUYJOCSA-N 1 0 260.341 2.323 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CCO)COC)c1ccc(C)cc1O ZINC000280018449 522918575 /nfs/dbraw/zinc/91/85/75/522918575.db2.gz HECPOCHVENVTDQ-GXTWGEPZSA-N 1 0 267.369 2.139 20 10 CECDRO COC(=O)CC1([NH2+]Cc2cccc(OC)c2O)CCCC1 ZINC000279627335 522935550 /nfs/dbraw/zinc/93/55/50/522935550.db2.gz HNDMPKTYEZTHTJ-UHFFFAOYSA-N 1 0 293.363 2.366 20 10 CECDRO COCCC1(C[NH2+]Cc2cccc(OC)c2O)CC1 ZINC000151222582 523061213 /nfs/dbraw/zinc/06/12/13/523061213.db2.gz MFJJTNXJEIXEBS-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO COCCCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866950 523146453 /nfs/dbraw/zinc/14/64/53/523146453.db2.gz ZGCBJLWDAGEITQ-UHFFFAOYSA-N 1 0 296.386 2.383 20 10 CECDRO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cccc(C)c1O ZINC000274923152 523788266 /nfs/dbraw/zinc/78/82/66/523788266.db2.gz MSMYVFJGEUYBRV-RISCZKNCSA-N 1 0 277.364 2.474 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617748 523968351 /nfs/dbraw/zinc/96/83/51/523968351.db2.gz AAVGUNQUIHHKLH-WDEREUQCSA-N 1 0 282.359 2.487 20 10 CECDRO COCCOCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000044694214 524010466 /nfs/dbraw/zinc/01/04/66/524010466.db2.gz AFRSKFIYZANDOE-ZDUSSCGKSA-N 1 0 266.385 2.066 20 10 CECDRO C[N@H+]1C[C@H]2CN(Cc3c(O)cccc3Cl)C[C@H]2C1 ZINC000278538643 524017621 /nfs/dbraw/zinc/01/76/21/524017621.db2.gz CITNWIRBJXZNIE-PHIMTYICSA-N 1 0 266.772 2.039 20 10 CECDRO COc1ccc(C[NH2+]CCCn2cccn2)cc1C ZINC000073870041 524070630 /nfs/dbraw/zinc/07/06/30/524070630.db2.gz YTDOPEZYERBDAR-UHFFFAOYSA-N 1 0 259.353 2.380 20 10 CECDRO COc1ccc(C[NH2+]CCc2cnn(C)c2)cc1C ZINC000069786679 524071139 /nfs/dbraw/zinc/07/11/39/524071139.db2.gz ITKWIWIQCGBOJF-UHFFFAOYSA-N 1 0 259.353 2.069 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1O ZINC000279607285 524404573 /nfs/dbraw/zinc/40/45/73/524404573.db2.gz FFYMFZSTCKQPPT-BBRMVZONSA-N 1 0 277.364 2.080 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291299485 524743935 /nfs/dbraw/zinc/74/39/35/524743935.db2.gz QMAHMIUNNAVVBK-ZDUSSCGKSA-N 1 0 273.336 2.044 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCCc2c[nH]nc2C)c1 ZINC000050182593 524750625 /nfs/dbraw/zinc/75/06/25/524750625.db2.gz NYMQANDOZQHQLO-UHFFFAOYSA-N 1 0 275.352 2.155 20 10 CECDRO COc1ccc(O)c(C[NH2+]C2(CCO)CCCC2)c1 ZINC000289573512 524750784 /nfs/dbraw/zinc/75/07/84/524750784.db2.gz SRWJXPDXMNWXAT-UHFFFAOYSA-N 1 0 265.353 2.186 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CCN3CCCC[C@H]23)c1 ZINC000036996292 524756547 /nfs/dbraw/zinc/75/65/47/524756547.db2.gz RRZMICWWCBZJCV-LSDHHAIUSA-N 1 0 276.380 2.117 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cn[nH]c2)c1 ZINC000289701031 524763265 /nfs/dbraw/zinc/76/32/65/524763265.db2.gz IPLAKRFRJVFLFU-SNVBAGLBSA-N 1 0 261.325 2.017 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000037155343 524765789 /nfs/dbraw/zinc/76/57/89/524765789.db2.gz PYSBDYJKCMVGAY-NWDGAFQWSA-N 1 0 275.352 2.337 20 10 CECDRO C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(F)ccc1O ZINC000278597578 525319183 /nfs/dbraw/zinc/31/91/83/525319183.db2.gz ZHRYRLQJRVWFPE-LBPRGKRZSA-N 1 0 294.370 2.047 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cc1C ZINC000280390747 525319110 /nfs/dbraw/zinc/31/91/10/525319110.db2.gz WWBAUHFHDZTODN-RHSMWYFYSA-N 1 0 291.391 2.389 20 10 CECDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000290364726 525339520 /nfs/dbraw/zinc/33/95/20/525339520.db2.gz HBPSFSKQBPYTCX-HIFRSBDPSA-N 1 0 262.397 2.473 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000280357250 525345365 /nfs/dbraw/zinc/34/53/65/525345365.db2.gz UCGLWXMXWQMMNH-XJKSGUPXSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCc2nccnc2C)c1 ZINC000292902815 525348600 /nfs/dbraw/zinc/34/86/00/525348600.db2.gz DUGQGQJHQODXDZ-UHFFFAOYSA-N 1 0 257.337 2.131 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)C(C)C)c1 ZINC000290193931 525359857 /nfs/dbraw/zinc/35/98/57/525359857.db2.gz GCQONKXTMYKQEI-GFCCVEGCSA-N 1 0 285.409 2.174 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1 ZINC000228093745 525361712 /nfs/dbraw/zinc/36/17/12/525361712.db2.gz MCXGQESLBHNQGV-OLZOCXBDSA-N 1 0 276.380 2.362 20 10 CECDRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000280912518 525378851 /nfs/dbraw/zinc/37/88/51/525378851.db2.gz QMTOJYQPHBVYFE-BPUTZDHNSA-N 1 0 292.423 2.048 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cc(F)ccc1O ZINC000128324262 525638629 /nfs/dbraw/zinc/63/86/29/525638629.db2.gz IXGFHPQNMLKXCR-HJIKLVIJSA-N 1 0 253.317 2.341 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncnn2C)c(O)c1 ZINC000276696575 525743094 /nfs/dbraw/zinc/74/30/94/525743094.db2.gz VJSYLONPISXSBX-MNOVXSKESA-N 1 0 260.341 2.241 20 10 CECDRO C[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280069957 525804819 /nfs/dbraw/zinc/80/48/19/525804819.db2.gz XNUKIEZREFFCIE-SECBINFHSA-N 1 0 276.302 2.242 20 10 CECDRO COc1cccc(C[N@H+](C)[C@@H]2CCSC2)c1O ZINC000130587773 525918645 /nfs/dbraw/zinc/91/86/45/525918645.db2.gz FKULEOPDTJDUIW-LLVKDONJSA-N 1 0 253.367 2.338 20 10 CECDRO COc1cccc(C[NH2+]CCN2CCC(C)CC2)c1O ZINC000040771358 526017137 /nfs/dbraw/zinc/01/71/37/526017137.db2.gz MQXMVXFUQCAINF-UHFFFAOYSA-N 1 0 278.396 2.222 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000236576854 526365814 /nfs/dbraw/zinc/36/58/14/526365814.db2.gz DYGGNQYNPIVWDG-UWVGGRQHSA-N 1 0 255.745 2.296 20 10 CECDRO Cc1nccnc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000292951638 527451333 /nfs/dbraw/zinc/45/13/33/527451333.db2.gz IRBFSCQCWMMKKP-UHFFFAOYSA-N 1 0 269.348 2.052 20 10 CECDRO Cn1nccc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000071138886 527610333 /nfs/dbraw/zinc/61/03/33/527610333.db2.gz FHJMUQRLIWEZNH-UHFFFAOYSA-N 1 0 270.380 2.092 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000729523909 574489182 /nfs/dbraw/zinc/48/91/82/574489182.db2.gz XZEFFXHQENZZQV-OAHLLOKOSA-N 1 0 289.423 2.101 20 10 CECDRO Cn1cnnc1CN(Cc1ccccc1O)C1CCCC1 ZINC000732204079 574614842 /nfs/dbraw/zinc/61/48/42/574614842.db2.gz BQXWZRZTGRTCED-UHFFFAOYSA-N 1 0 286.379 2.466 20 10 CECDRO C[NH+](C)C1(CNC(=O)C2=CC(=O)CS2)CCCC1 ZINC000732271211 574616836 /nfs/dbraw/zinc/61/68/36/574616836.db2.gz RDCLHYVXMGHDLI-UHFFFAOYSA-N 1 0 268.382 2.058 20 10 CECDRO CCC[C@](C)(O)C[NH2+]Cc1c(O)cccc1OC ZINC000732821218 574632218 /nfs/dbraw/zinc/63/22/18/574632218.db2.gz YCNVXPOWOMAIEL-AWEZNQCLSA-N 1 0 253.342 2.042 20 10 CECDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1c(O)cccc1OC ZINC000732820586 574632272 /nfs/dbraw/zinc/63/22/72/574632272.db2.gz LVPQROYIDYPNMT-IAQYHMDHSA-N 1 0 267.369 2.288 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cnn3ccccc23)c1 ZINC000734003532 574696785 /nfs/dbraw/zinc/69/67/85/574696785.db2.gz NGADUWPPNJPGHF-UHFFFAOYSA-N 1 0 283.331 2.338 20 10 CECDRO C[C@@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743510945 575105599 /nfs/dbraw/zinc/10/55/99/575105599.db2.gz BFYVODTZIYWFHS-GFCCVEGCSA-N 1 0 293.367 2.056 20 10 CECDRO O=[N+]([O-])c1cc(C[NH2+]CCCO)ccc1N1CCCCC1 ZINC000743503766 575105641 /nfs/dbraw/zinc/10/56/41/575105641.db2.gz SYZIFRUMMXTOKS-UHFFFAOYSA-N 1 0 293.367 2.057 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H]2CCCN(C)C2)ccc1OC ZINC000747853688 575175908 /nfs/dbraw/zinc/17/59/08/575175908.db2.gz AQEZPNKTVHSBNL-MRXNPFEDSA-N 1 0 292.423 2.416 20 10 CECDRO COc1ccc(C[NH2+]CCCNc2ncccn2)cc1C ZINC000751506315 575290706 /nfs/dbraw/zinc/29/07/06/575290706.db2.gz OEKOPNQCUVXZGQ-UHFFFAOYSA-N 1 0 286.379 2.385 20 10 CECDRO CC(=O)NC1CCC([N@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000753592643 575331379 /nfs/dbraw/zinc/33/13/79/575331379.db2.gz YNRHOFOCFONLSP-UHFFFAOYSA-N 1 0 294.370 2.410 20 10 CECDRO CC[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(C)cc1O ZINC000840878053 625368196 /nfs/dbraw/zinc/36/81/96/625368196.db2.gz AFKCULKHRTVIEX-AWEZNQCLSA-N 1 0 297.420 2.319 20 10 CECDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000179577498 625573598 /nfs/dbraw/zinc/57/35/98/625573598.db2.gz ZMDUTHAYMNYCGN-MRXNPFEDSA-N 1 0 287.407 2.127 20 10 CECDRO CCNC(=O)C[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000109744955 622906411 /nfs/dbraw/zinc/90/64/11/622906411.db2.gz KTZWLYBZIRVACH-UHFFFAOYSA-N 1 0 272.348 2.113 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)OCCO)c2c1c(F)ccc2O ZINC000806664424 622968717 /nfs/dbraw/zinc/96/87/17/622968717.db2.gz PZZWUMKNMZRMRQ-CMPLNLGQSA-N 1 0 297.370 2.457 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(O)cc1C ZINC000160391049 623278476 /nfs/dbraw/zinc/27/84/76/623278476.db2.gz JVURPNCRTQXCCJ-MRXNPFEDSA-N 1 0 277.364 2.322 20 10 CECDRO C[C@@H]1C[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247409 623321854 /nfs/dbraw/zinc/32/18/54/623321854.db2.gz HBCSCXWJNPQPPY-DAXOMENPSA-N 1 0 289.423 2.128 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)cc1OC ZINC000160478378 623339591 /nfs/dbraw/zinc/33/95/91/623339591.db2.gz MPFQWUNKXICTQM-WCQYABFASA-N 1 0 295.379 2.145 20 10 CECDRO COc1ccc(C[N@@H+]2CCCO[C@@H](C)C2)c(O)c1OC ZINC000891918715 624097430 /nfs/dbraw/zinc/09/74/30/624097430.db2.gz YLJWAKIATDMPMZ-NSHDSACASA-N 1 0 281.352 2.020 20 10 CECDRO C[C@H](NC(=O)NCCC[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000892159224 624368698 /nfs/dbraw/zinc/36/86/98/624368698.db2.gz ORQLTBKOIRZQCS-QWHCGFSZSA-N 1 0 291.395 2.285 20 10 CECDRO COc1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(O)c1OC ZINC000892217602 624427419 /nfs/dbraw/zinc/42/74/19/624427419.db2.gz ZEHPWSPRJDTERJ-YPMHNXCESA-N 1 0 295.379 2.002 20 10 CECDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178710321 624726289 /nfs/dbraw/zinc/72/62/89/624726289.db2.gz CGSJOBZRYVPEEQ-JKSUJKDBSA-N 1 0 287.407 2.030 20 10 CECDRO Cc1cccc(CC[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000280490869 625254706 /nfs/dbraw/zinc/25/47/06/625254706.db2.gz FJGOKUGSHDRKTN-UHFFFAOYSA-N 1 0 286.331 2.157 20 10 CECDRO COc1ccc(C[NH2+]CC[C@H]2CCCO2)c(O)c1OC ZINC000892534236 625920647 /nfs/dbraw/zinc/92/06/47/625920647.db2.gz DGORAGBYFYMAGU-GFCCVEGCSA-N 1 0 281.352 2.068 20 10 CECDRO CC[C@H]([NH2+]CCN(C)OC)c1ccc(C)cc1O ZINC000850478286 627282435 /nfs/dbraw/zinc/28/24/35/627282435.db2.gz RHRNXTUMMKVOMW-ZDUSSCGKSA-N 1 0 252.358 2.235 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000293232106 627397979 /nfs/dbraw/zinc/39/79/79/627397979.db2.gz SGZVKCPUOIPCTI-OAHLLOKOSA-N 1 0 262.397 2.347 20 10 CECDRO CC[C@H](C)N(C)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892854589 627813243 /nfs/dbraw/zinc/81/32/43/627813243.db2.gz VAUWKJVPVLBDLR-LBPRGKRZSA-N 1 0 296.411 2.229 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)CSC)c(O)c1OC ZINC000893004456 627936422 /nfs/dbraw/zinc/93/64/22/627936422.db2.gz HXCQFMMVMJUDOP-VIFPVBQESA-N 1 0 271.382 2.251 20 10 CECDRO COCC1=CC[N@H+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000185046404 628221224 /nfs/dbraw/zinc/22/12/24/628221224.db2.gz CMPDBYRGOWAGFB-UHFFFAOYSA-N 1 0 277.364 2.488 20 10 CECDRO COC[C@@H](C)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000189784556 628319207 /nfs/dbraw/zinc/31/92/07/628319207.db2.gz OJYQZHKQVMDDDH-HNNXBMFYSA-N 1 0 292.423 2.490 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c(Cl)c1 ZINC000840909430 628373110 /nfs/dbraw/zinc/37/31/10/628373110.db2.gz RWINTVWJOFEOOQ-NHYWBVRUSA-N 1 0 298.814 2.163 20 10 CECDRO CC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)OC ZINC000313519912 628610639 /nfs/dbraw/zinc/61/06/39/628610639.db2.gz LNYQQOKZYXVWKV-INIZCTEOSA-N 1 0 278.396 2.038 20 10 CECDRO COc1ccc(O)c([C@@H](C)N[C@H]2C[NH2+]CC2(C)C)c1 ZINC000902449058 634672452 /nfs/dbraw/zinc/67/24/52/634672452.db2.gz LKJKSMMCIKKLAY-YGRLFVJLSA-N 1 0 264.369 2.049 20 10 CECDRO OC1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000258812563 628771820 /nfs/dbraw/zinc/77/18/20/628771820.db2.gz OGXNZPZPUQPKDJ-UHFFFAOYSA-N 1 0 261.365 2.405 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000925787234 628828026 /nfs/dbraw/zinc/82/80/26/628828026.db2.gz XTPVAXXUDAELLY-UTLUCORTSA-N 1 0 270.323 2.177 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000840953868 628857660 /nfs/dbraw/zinc/85/76/60/628857660.db2.gz ZULPKAPBVFXEFF-WBMJQRKESA-N 1 0 262.397 2.264 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)C2CC2)c1O ZINC000311593702 628866739 /nfs/dbraw/zinc/86/67/39/628866739.db2.gz AZKICXUHXRFVFU-OAHLLOKOSA-N 1 0 265.353 2.042 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cc(F)cc(F)c1[O-] ZINC000902486103 634702644 /nfs/dbraw/zinc/70/26/44/634702644.db2.gz PMSABIZTQYONKM-NRPADANISA-N 1 0 256.296 2.058 20 10 CECDRO CN(C)c1ccc(CNc2cnn(CC[NH+](C)C)c2)cc1 ZINC000236995915 629146712 /nfs/dbraw/zinc/14/67/12/629146712.db2.gz VNRXAZQXBCUKGZ-UHFFFAOYSA-N 1 0 287.411 2.123 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c(O)c1OC ZINC000894145458 629169202 /nfs/dbraw/zinc/16/92/02/629169202.db2.gz LNBNNBYBVLPTJO-MRXNPFEDSA-N 1 0 295.379 2.146 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1O ZINC000894181061 629195299 /nfs/dbraw/zinc/19/52/99/629195299.db2.gz PAACHJLQFBUVAO-CABCVRRESA-N 1 0 290.407 2.426 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)CCCO1 ZINC000894242993 629250161 /nfs/dbraw/zinc/25/01/61/629250161.db2.gz BFGSYSHUBGJMGS-CYBMUJFWSA-N 1 0 295.379 2.410 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000178902662 629278702 /nfs/dbraw/zinc/27/87/02/629278702.db2.gz MBRICZRXPQOETN-ZDUSSCGKSA-N 1 0 293.363 2.237 20 10 CECDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000237130725 629297745 /nfs/dbraw/zinc/29/77/45/629297745.db2.gz HOGQBKLFDFIARV-UHFFFAOYSA-N 1 0 264.369 2.184 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC[S@@](=O)C(C)(C)C)c1O ZINC000894282995 629303305 /nfs/dbraw/zinc/30/33/05/629303305.db2.gz BMDQUEAXJVRKDK-HXUWFJFHSA-N 1 0 299.436 2.346 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)C[C@@H](C)O)c1O ZINC000894291818 629311262 /nfs/dbraw/zinc/31/12/62/629311262.db2.gz FLPJJUQKRJTDMK-NWDGAFQWSA-N 1 0 267.369 2.206 20 10 CECDRO CCCN(CCC)c1ccc(C[NH2+]C[C@](C)(O)CO)cc1 ZINC000794748738 629313316 /nfs/dbraw/zinc/31/33/16/629313316.db2.gz QPPUPXKVHUHBTK-KRWDZBQOSA-N 1 0 294.439 2.146 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1O ZINC000894303626 629324222 /nfs/dbraw/zinc/32/42/22/629324222.db2.gz FKWVXUUYWSQOMP-NWDGAFQWSA-N 1 0 265.353 2.224 20 10 CECDRO CC[C@H]([NH2+]Cc1cn(C)nn1)c1ccc(C)cc1O ZINC000794819893 629328675 /nfs/dbraw/zinc/32/86/75/629328675.db2.gz YWTPFBDUEXRWTB-ZDUSSCGKSA-N 1 0 260.341 2.070 20 10 CECDRO CCn1ncnc1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000794838816 629332359 /nfs/dbraw/zinc/33/23/59/629332359.db2.gz ATTWEGFZVLKZKU-GFCCVEGCSA-N 1 0 274.368 2.471 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000894361655 629393859 /nfs/dbraw/zinc/39/38/59/629393859.db2.gz LSCWZSYDVXFILX-GFCCVEGCSA-N 1 0 293.285 2.112 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c(O)c1OC ZINC000894419500 629451429 /nfs/dbraw/zinc/45/14/29/629451429.db2.gz GIIFFYMBTLCSCB-NEPJUHHUSA-N 1 0 295.379 2.172 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC2(OC)CCC2)c1O ZINC000894431122 629456527 /nfs/dbraw/zinc/45/65/27/629456527.db2.gz NFPBSFPXKOBXSX-UHFFFAOYSA-N 1 0 265.353 2.368 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1O ZINC000894452950 629470438 /nfs/dbraw/zinc/47/04/38/629470438.db2.gz ADYPZVPOHGMBGX-CQSZACIVSA-N 1 0 279.380 2.445 20 10 CECDRO COc1cccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c1O ZINC000894457681 629471155 /nfs/dbraw/zinc/47/11/55/629471155.db2.gz GKEFSNRWLVHAPQ-XOMBGVMMSA-N 1 0 277.364 2.448 20 10 CECDRO CCN(CCC[NH+](C)C)Cc1ccc(OC)c(OC)c1O ZINC000894472016 629480509 /nfs/dbraw/zinc/48/05/09/629480509.db2.gz QAYSRQDIHHFVCO-UHFFFAOYSA-N 1 0 296.411 2.183 20 10 CECDRO COc1cc(C)cc(C[N@H+](CC(C)(C)O)C2CC2)c1O ZINC000894492633 629495008 /nfs/dbraw/zinc/49/50/08/629495008.db2.gz DPQZWPAKYUUWFF-UHFFFAOYSA-N 1 0 279.380 2.445 20 10 CECDRO CC[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H](O)C(F)(F)F ZINC000894494040 629495487 /nfs/dbraw/zinc/49/54/87/629495487.db2.gz LOMLRBGWCFTJSM-SNVBAGLBSA-N 1 0 299.239 2.416 20 10 CECDRO COc1cc(C)cc(C[N@H+](CCO)C2CCC2)c1O ZINC000894533458 629517432 /nfs/dbraw/zinc/51/74/32/629517432.db2.gz MRQWCHGSARQUKU-UHFFFAOYSA-N 1 0 265.353 2.056 20 10 CECDRO COc1ccc(C[N@H+]2CC[C@@H](OC)[C@H](C)C2)c(O)c1OC ZINC000894716738 629608414 /nfs/dbraw/zinc/60/84/14/629608414.db2.gz BDUWRMMCUWBIIL-DGCLKSJQSA-N 1 0 295.379 2.266 20 10 CECDRO CNC(=O)C[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000795606834 629630135 /nfs/dbraw/zinc/63/01/35/629630135.db2.gz TUAWPQQWXKANKQ-OAHLLOKOSA-N 1 0 284.359 2.359 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000795640024 629639334 /nfs/dbraw/zinc/63/93/34/629639334.db2.gz UMCXPQCCQJOJHE-QGZVFWFLSA-N 1 0 291.391 2.390 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@H](CCCO)C2)c(O)c1OC ZINC000894798069 629646252 /nfs/dbraw/zinc/64/62/52/629646252.db2.gz SPZYNLKPWROOTM-LBPRGKRZSA-N 1 0 295.379 2.004 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](C)O2)c(O)c1OC ZINC000894817469 629655787 /nfs/dbraw/zinc/65/57/87/629655787.db2.gz QUTWODGHTLYCHW-CMPLNLGQSA-N 1 0 281.352 2.067 20 10 CECDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894881360 629715309 /nfs/dbraw/zinc/71/53/09/629715309.db2.gz OPJQKFYAMPCUFL-OCCSQVGLSA-N 1 0 279.380 2.302 20 10 CECDRO COCC[C@H](C)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894897635 629734402 /nfs/dbraw/zinc/73/44/02/629734402.db2.gz WYVRMOCFFCEOHS-NSHDSACASA-N 1 0 283.368 2.172 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1O ZINC000895033192 629805487 /nfs/dbraw/zinc/80/54/87/629805487.db2.gz GYSZGFZUNXHJQR-CHWSQXEVSA-N 1 0 279.380 2.160 20 10 CECDRO C[C@@H]([NH2+]Cc1cnc[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000796451234 629908427 /nfs/dbraw/zinc/90/84/27/629908427.db2.gz UPQSJCPOEAZJML-CYBMUJFWSA-N 1 0 286.379 2.097 20 10 CECDRO CC[C@H](C[NH2+]Cc1c(O)cccc1Cl)C(=O)OC ZINC000895122622 629925876 /nfs/dbraw/zinc/92/58/76/629925876.db2.gz OFQFMXDVPMERSW-SECBINFHSA-N 1 0 271.744 2.334 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCS[C@H]2C)c(O)c1OC ZINC000895126113 629929390 /nfs/dbraw/zinc/92/93/90/629929390.db2.gz SHIUKNHIKIFECM-GXSJLCMTSA-N 1 0 283.393 2.393 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)COCC2CC2)c(O)c1OC ZINC000895168684 629993742 /nfs/dbraw/zinc/99/37/42/629993742.db2.gz ARSHHQJHPPHJNT-LLVKDONJSA-N 1 0 295.379 2.314 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H]2C[C@@H](OC)C2)c1O ZINC000895414924 630174018 /nfs/dbraw/zinc/17/40/18/630174018.db2.gz QBSXGXZXQHFHLE-BJHJDKERSA-N 1 0 265.353 2.224 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC2CSC2)c1O ZINC000895423960 630185884 /nfs/dbraw/zinc/18/58/84/630185884.db2.gz HLKMXWJBEMCQDM-UHFFFAOYSA-N 1 0 253.367 2.162 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)COCCO2 ZINC000895697341 630309496 /nfs/dbraw/zinc/30/94/96/630309496.db2.gz OJOXZOUIZFXTID-UHFFFAOYSA-N 1 0 277.364 2.082 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000895749438 630323854 /nfs/dbraw/zinc/32/38/54/630323854.db2.gz QZPCZWFNOINWKT-WBVHZDCISA-N 1 0 292.423 2.081 20 10 CECDRO CCc1cccc(C[N@@H+]2CCNC(=O)CC23CCC3)c1O ZINC000895927666 630407936 /nfs/dbraw/zinc/40/79/36/630407936.db2.gz UTTJINOZNYWXJA-UHFFFAOYSA-N 1 0 288.391 2.199 20 10 CECDRO COCC1CN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000895975185 630425473 /nfs/dbraw/zinc/42/54/73/630425473.db2.gz QNRRVJWUYNOHJY-UHFFFAOYSA-N 1 0 270.323 2.109 20 10 CECDRO COc1ccc(C[N@@H+]2C[C@@H](OC)CC[C@@H]2C)c(O)c1OC ZINC000896076471 630458642 /nfs/dbraw/zinc/45/86/42/630458642.db2.gz QRJTVRUFFNMVEB-AAEUAGOBSA-N 1 0 295.379 2.409 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896380395 630553677 /nfs/dbraw/zinc/55/36/77/630553677.db2.gz HHJASCOFHGPRMU-OAHLLOKOSA-N 1 0 290.407 2.256 20 10 CECDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1c([O-])cccc1F ZINC000896637898 630621620 /nfs/dbraw/zinc/62/16/20/630621620.db2.gz QOLXOFWVFUNJHP-WDEREUQCSA-N 1 0 253.317 2.436 20 10 CECDRO CC[N@H+](CCC(N)=O)Cc1ccc2ccccc2c1O ZINC000896710756 630646250 /nfs/dbraw/zinc/64/62/50/630646250.db2.gz XOYIJTDHXHUJQI-UHFFFAOYSA-N 1 0 272.348 2.243 20 10 CECDRO CCc1cccc(C[NH2+]CCc2cc(C)n(C)n2)c1O ZINC000896819675 630679802 /nfs/dbraw/zinc/67/98/02/630679802.db2.gz SMOYDQWSVRFAQB-UHFFFAOYSA-N 1 0 273.380 2.329 20 10 CECDRO COc1ccc(C[NH2+]C[C@]2(C)CCCCO2)c(O)c1OC ZINC000896922932 630811685 /nfs/dbraw/zinc/81/16/85/630811685.db2.gz CUJZJRJJSRGTDX-INIZCTEOSA-N 1 0 295.379 2.458 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726811 635486436 /nfs/dbraw/zinc/48/64/36/635486436.db2.gz VEMPGLMSLQDNPB-GFCCVEGCSA-N 1 0 277.698 2.248 20 10 CECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000896963235 630846085 /nfs/dbraw/zinc/84/60/85/630846085.db2.gz XFCZFAYKZIJNJT-JTQLQIEISA-N 1 0 283.755 2.431 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H](OC(F)F)C2)c1O ZINC000802658646 631441698 /nfs/dbraw/zinc/44/16/98/631441698.db2.gz LGFYLRKTSYOFOW-JTQLQIEISA-N 1 0 273.279 2.214 20 10 CECDRO Oc1cc2c(cc1C[N@H+](C[C@@H]1CCOC1)C1CC1)OCO2 ZINC000054495152 631601429 /nfs/dbraw/zinc/60/14/29/631601429.db2.gz LQRDBPTZQQVDSD-NSHDSACASA-N 1 0 291.347 2.122 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(F)ccc1O ZINC000806178044 631724650 /nfs/dbraw/zinc/72/46/50/631724650.db2.gz BNSCQXCMMVPUSO-YPMHNXCESA-N 1 0 290.338 2.353 20 10 CECDRO C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000843120283 631728940 /nfs/dbraw/zinc/72/89/40/631728940.db2.gz CUINDXLNPLVGGQ-LVQRLBQTSA-N 1 0 259.397 2.045 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)c(O)c1 ZINC000897566961 631787338 /nfs/dbraw/zinc/78/73/38/631787338.db2.gz BBDPSMXBVJNRHX-MRXNPFEDSA-N 1 0 287.363 2.008 20 10 CECDRO C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(N(C)C)cc1 ZINC000808406400 631959139 /nfs/dbraw/zinc/95/91/39/631959139.db2.gz HLVHKMDOLBOIJL-GFCCVEGCSA-N 1 0 258.369 2.337 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(C)(=O)=O)c1O ZINC000808683847 631998666 /nfs/dbraw/zinc/99/86/66/631998666.db2.gz KIVAYRQNJWQWBU-VIFPVBQESA-N 1 0 291.800 2.049 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000809612100 632110468 /nfs/dbraw/zinc/11/04/68/632110468.db2.gz FILMCGXFHSENEO-UHFFFAOYSA-N 1 0 292.360 2.184 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](O)C2CC2)c1 ZINC000898199003 632112637 /nfs/dbraw/zinc/11/26/37/632112637.db2.gz XXJFTHXEUIDTRS-QMTHXVAHSA-N 1 0 265.353 2.212 20 10 CECDRO COc1ccc(C[NH2+]Cc2cnc([C@H](C)O)s2)c(O)c1 ZINC000809658469 632123380 /nfs/dbraw/zinc/12/33/80/632123380.db2.gz OESQNYCQYVIRKU-VIFPVBQESA-N 1 0 294.376 2.200 20 10 CECDRO COc1cccc(O)c1CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000809703908 632130311 /nfs/dbraw/zinc/13/03/11/632130311.db2.gz RRYCHNBJOLYPPD-ZIAGYGMSSA-N 1 0 290.407 2.459 20 10 CECDRO Cc1cccc(C[N@H+](C)C[C@H](O)C(F)(F)F)c1O ZINC000809751620 632140365 /nfs/dbraw/zinc/14/03/65/632140365.db2.gz UKNYGRWWJTYNSS-JTQLQIEISA-N 1 0 263.259 2.056 20 10 CECDRO Cc1ccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000841041788 632270447 /nfs/dbraw/zinc/27/04/47/632270447.db2.gz CDETVEOJHDYLAB-QGZVFWFLSA-N 1 0 284.407 2.246 20 10 CECDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CCC[NH2+]CC2)c1[O-] ZINC000841056758 632359038 /nfs/dbraw/zinc/35/90/38/632359038.db2.gz DBVJOVDXBXIJNY-NSHDSACASA-N 1 0 299.758 2.186 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1 ZINC000898384987 632477112 /nfs/dbraw/zinc/47/71/12/632477112.db2.gz AUVMYSJPBARROU-CVEARBPZSA-N 1 0 260.381 2.267 20 10 CECDRO O=C(C[NH2+]Cc1cc(F)ccc1O)Nc1cccc(F)c1 ZINC000813331806 632671028 /nfs/dbraw/zinc/67/10/28/632671028.db2.gz VMACDVOLVVWGPL-UHFFFAOYSA-N 1 0 292.285 2.399 20 10 CECDRO CC[C@H]([NH2+]C1COCCOC1)c1ccc(N(C)C)cc1 ZINC000813878471 632751645 /nfs/dbraw/zinc/75/16/45/632751645.db2.gz BGOKLSSBILJZIW-INIZCTEOSA-N 1 0 278.396 2.209 20 10 CECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccccc1O ZINC000814300706 632821541 /nfs/dbraw/zinc/82/15/41/632821541.db2.gz LTVIWXUPCGYMJJ-LBPRGKRZSA-N 1 0 264.369 2.034 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)ccc1N(C)C ZINC000815096660 632958224 /nfs/dbraw/zinc/95/82/24/632958224.db2.gz UIZKBPIGNZDNQQ-BBRMVZONSA-N 1 0 262.397 2.264 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]3CN(C)C[C@@H]32)cc1 ZINC000815120330 632963041 /nfs/dbraw/zinc/96/30/41/632963041.db2.gz GNJAIENOWRNQEE-WBVHZDCISA-N 1 0 273.424 2.279 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CC)C(C)(C)O)c(O)c1 ZINC000815154477 632973452 /nfs/dbraw/zinc/97/34/52/632973452.db2.gz CXPQKHWKZFRHES-CQSZACIVSA-N 1 0 267.369 2.430 20 10 CECDRO CCOc1ccc(C[NH+]2CC(CCOC)C2)c(O)c1 ZINC000826899685 635875772 /nfs/dbraw/zinc/87/57/72/635875772.db2.gz TVDUIJFKTJROFS-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1 ZINC000816639076 633454992 /nfs/dbraw/zinc/45/49/92/633454992.db2.gz HDSZODYFDSIFDW-JTQLQIEISA-N 1 0 274.320 2.352 20 10 CECDRO COc1cc(CN(C)C[C@H]2CCC[N@@H+]2C)c(O)cc1C ZINC000817371648 633643470 /nfs/dbraw/zinc/64/34/70/633643470.db2.gz BAPCYLUJJWRQHS-CQSZACIVSA-N 1 0 278.396 2.235 20 10 CECDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)CC1=O ZINC000817411020 633650813 /nfs/dbraw/zinc/65/08/13/633650813.db2.gz LEFMZGNEVIWIMQ-OAHLLOKOSA-N 1 0 289.423 2.101 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)cc1C ZINC000817413085 633651912 /nfs/dbraw/zinc/65/19/12/633651912.db2.gz SWGOSUCSOFMMOP-FZMZJTMJSA-N 1 0 263.381 2.459 20 10 CECDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000817413559 633652358 /nfs/dbraw/zinc/65/23/58/633652358.db2.gz ZBQYPOPRACESPU-XYPYZODXSA-N 1 0 296.798 2.427 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1 ZINC000817415186 633652902 /nfs/dbraw/zinc/65/29/02/633652902.db2.gz UBMNAFCUIFYCGH-YPMHNXCESA-N 1 0 265.353 2.136 20 10 CECDRO CN(C)c1ccc(CN(C)C[C@@H]2CCC[N@@H+]2C)cc1F ZINC000817417942 633656022 /nfs/dbraw/zinc/65/60/22/633656022.db2.gz WZUWEPSQNOBDDJ-AWEZNQCLSA-N 1 0 279.403 2.418 20 10 CECDRO Cc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)c(O)c1O ZINC000817659183 633716748 /nfs/dbraw/zinc/71/67/48/633716748.db2.gz RCWIQUYGLSMOEE-UHFFFAOYSA-N 1 0 292.379 2.009 20 10 CECDRO C[C@H](NC(=O)NC(C)(C)CC[NH3+])c1ccc(N(C)C)cc1 ZINC000817875900 633749713 /nfs/dbraw/zinc/74/97/13/633749713.db2.gz BCUBXFGGCLWFKH-LBPRGKRZSA-N 1 0 292.427 2.240 20 10 CECDRO C[C@H](N[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817941443 633789905 /nfs/dbraw/zinc/78/99/05/633789905.db2.gz QHJACSDRZYVOLU-ONGXEEELSA-N 1 0 254.761 2.448 20 10 CECDRO CC[NH2+]CCN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817952018 633795983 /nfs/dbraw/zinc/79/59/83/633795983.db2.gz MVESDTPSQWGSNJ-GXSJLCMTSA-N 1 0 252.333 2.279 20 10 CECDRO CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817960930 633803361 /nfs/dbraw/zinc/80/33/61/633803361.db2.gz UPNMRDLHAVKRBC-LLVKDONJSA-N 1 0 294.395 2.347 20 10 CECDRO C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817964531 633805722 /nfs/dbraw/zinc/80/57/22/633805722.db2.gz BZXGQFBYDDZJLN-JVXZTZIISA-N 1 0 256.296 2.058 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817969762 633811209 /nfs/dbraw/zinc/81/12/09/633811209.db2.gz ZLZQUPNUVPISOF-PWSUYJOCSA-N 1 0 252.333 2.324 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccccc1O ZINC000817975810 633818777 /nfs/dbraw/zinc/81/87/77/633818777.db2.gz CHJQIYDWUOIKKX-GMXVVIOVSA-N 1 0 252.333 2.133 20 10 CECDRO C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)c2c1c(F)ccc2O ZINC000817977066 633819648 /nfs/dbraw/zinc/81/96/48/633819648.db2.gz ZXVCZBRIISPTSD-GMOBBJLQSA-N 1 0 282.334 2.369 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901055243 633940677 /nfs/dbraw/zinc/94/06/77/633940677.db2.gz LBVBMYVLINBUME-GJZGRUSLSA-N 1 0 288.391 2.368 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000820041439 634319820 /nfs/dbraw/zinc/31/98/20/634319820.db2.gz LVHDOAVWJVEIML-CQSZACIVSA-N 1 0 289.423 2.019 20 10 CECDRO C[C@H]([NH2+]CCCSc1nccs1)c1cn(C)nn1 ZINC000902808922 634838676 /nfs/dbraw/zinc/83/86/76/634838676.db2.gz OAMDWHZNSOYTHW-VIFPVBQESA-N 1 0 283.426 2.105 20 10 CECDRO CC[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000903343188 635070950 /nfs/dbraw/zinc/07/09/50/635070950.db2.gz NJCZFRCMHLGPMO-TZMCWYRMSA-N 1 0 296.386 2.293 20 10 CECDRO Cc1cc(CN2CC[C@H]3CC[C@]32C[NH3+])ccc1N(C)C ZINC000903865215 635314646 /nfs/dbraw/zinc/31/46/46/635314646.db2.gz YSVOYVUZKVVZNQ-WBVHZDCISA-N 1 0 273.424 2.374 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903954537 635387755 /nfs/dbraw/zinc/38/77/55/635387755.db2.gz DSNJBSYYMUGBFV-JTQLQIEISA-N 1 0 290.741 2.380 20 10 CECDRO Cc1cc(Br)c(O)c(CN[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903964069 635398209 /nfs/dbraw/zinc/39/82/09/635398209.db2.gz KVBQPXLQTFVWNS-BXKDBHETSA-N 1 0 299.212 2.161 20 10 CECDRO CC(C)[N@H+](CCO)Cc1ccc(Br)cc1O ZINC000824523461 635440608 /nfs/dbraw/zinc/44/06/08/635440608.db2.gz ZGXAGOVPVHDFQF-UHFFFAOYSA-N 1 0 288.185 2.357 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccccc1O ZINC000824564302 635453035 /nfs/dbraw/zinc/45/30/35/635453035.db2.gz IKGCEUZATPBFRM-GOEBONIOSA-N 1 0 292.423 2.280 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)c(O)c1 ZINC000824635308 635466877 /nfs/dbraw/zinc/46/68/77/635466877.db2.gz GPYFTJCSQSHIQL-WCQYABFASA-N 1 0 289.322 2.285 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](SC)C1 ZINC000824683575 635477961 /nfs/dbraw/zinc/47/79/61/635477961.db2.gz QIIHLBVHQKEYQM-JTQLQIEISA-N 1 0 253.367 2.338 20 10 CECDRO FCC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000824794355 635499272 /nfs/dbraw/zinc/49/92/72/635499272.db2.gz DDUHRGMPYNBEHY-UHFFFAOYSA-N 1 0 279.355 2.477 20 10 CECDRO COc1cccc(O)c1C[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000824815068 635503667 /nfs/dbraw/zinc/50/36/67/635503667.db2.gz IBWSUQSSDGKHEI-RISCZKNCSA-N 1 0 265.353 2.258 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)CC1(C)C ZINC000824820714 635504938 /nfs/dbraw/zinc/50/49/38/635504938.db2.gz KYSCBRVQDATXPQ-OAHLLOKOSA-N 1 0 293.363 2.368 20 10 CECDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000824854589 635512652 /nfs/dbraw/zinc/51/26/52/635512652.db2.gz 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/nfs/dbraw/zinc/60/64/01/635606401.db2.gz TWCRNMDJPDCGRK-LOWVWBTDSA-N 1 0 262.353 2.087 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](CCCO)C2)cc1OC ZINC000825337684 635620552 /nfs/dbraw/zinc/62/05/52/635620552.db2.gz HZZZXDZUAWFGRV-LBPRGKRZSA-N 1 0 295.379 2.004 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825384892 635628644 /nfs/dbraw/zinc/62/86/44/635628644.db2.gz LIBKUUGZPQZSGF-DGCLKSJQSA-N 1 0 296.798 2.358 20 10 CECDRO COC[C@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)OC ZINC000825479753 635645066 /nfs/dbraw/zinc/64/50/66/635645066.db2.gz RNARHZDLIILBRY-NSHDSACASA-N 1 0 273.760 2.105 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1Cl ZINC000825752999 635707221 /nfs/dbraw/zinc/70/72/21/635707221.db2.gz LDZHEBFAMJULDZ-CQSZACIVSA-N 1 0 282.771 2.051 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1 ZINC000826780370 635844120 /nfs/dbraw/zinc/84/41/20/635844120.db2.gz KIQGPTYNXVCYCG-UHFFFAOYSA-N 1 0 272.348 2.070 20 10 CECDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826846121 635859680 /nfs/dbraw/zinc/85/96/80/635859680.db2.gz PZGVISSYESABRS-NSHDSACASA-N 1 0 292.770 2.159 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c1 ZINC000826910382 635879434 /nfs/dbraw/zinc/87/94/34/635879434.db2.gz GHQAQUJAOXQXJC-TUXXCZFBSA-N 1 0 297.420 2.180 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1C ZINC000827151742 636238372 /nfs/dbraw/zinc/23/83/72/636238372.db2.gz IWGLLSWCQUIKOZ-VIKVFOODSA-N 1 0 263.381 2.458 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827289862 636282352 /nfs/dbraw/zinc/28/23/52/636282352.db2.gz DKYBEVIGYQNEAY-GOEBONIOSA-N 1 0 260.381 2.018 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1O ZINC000827366498 636306210 /nfs/dbraw/zinc/30/62/10/636306210.db2.gz WJBDMYXQMHPQNI-ZIAGYGMSSA-N 1 0 261.365 2.348 20 10 CECDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1ccccc1O ZINC000828015779 636486335 /nfs/dbraw/zinc/48/63/35/636486335.db2.gz MPLCFSFCLHDDLU-ZIAGYGMSSA-N 1 0 276.380 2.306 20 10 CECDRO Cc1cccc(C[N@@H+]2CCCc3n[nH]cc3C2)c1O ZINC000828014119 636487106 /nfs/dbraw/zinc/48/71/06/636487106.db2.gz UULCXSTWZHJFRD-UHFFFAOYSA-N 1 0 257.337 2.372 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(N(C)C)cc1 ZINC000828960330 636736721 /nfs/dbraw/zinc/73/67/21/636736721.db2.gz UGDJWVNCQHFCLL-UONOGXRCSA-N 1 0 289.423 2.320 20 10 CECDRO COC(=O)C1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000828959277 636737040 /nfs/dbraw/zinc/73/70/40/636737040.db2.gz KDNCAZJNYOGCLY-GFCCVEGCSA-N 1 0 276.380 2.356 20 10 CECDRO Cc1cc(C[N@H+](C)CCC(N)=O)ccc1N1CCCCC1 ZINC000829764164 636924759 /nfs/dbraw/zinc/92/47/59/636924759.db2.gz XAEZGRAHLWFPCS-UHFFFAOYSA-N 1 0 289.423 2.293 20 10 CECDRO CC/C=C(/F)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506843 650294781 /nfs/dbraw/zinc/29/47/81/650294781.db2.gz PFMYAQPOWASOEV-BRRGFWCPSA-N 1 0 279.359 2.132 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(=O)[nH]c2)cc1 ZINC000876511990 650296847 /nfs/dbraw/zinc/29/68/47/650296847.db2.gz XSGYZIXBPPHBEU-UHFFFAOYSA-N 1 0 271.364 2.485 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000876553804 650322813 /nfs/dbraw/zinc/32/28/13/650322813.db2.gz YSOXLPBZPGSMDI-UHFFFAOYSA-N 1 0 297.402 2.413 20 10 CECDRO Cc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)c(O)c1 ZINC000876553275 650323039 /nfs/dbraw/zinc/32/30/39/650323039.db2.gz MMYIOUWONAHQGB-UHFFFAOYSA-N 1 0 297.402 2.413 20 10 CECDRO CCCC1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832266501 637529117 /nfs/dbraw/zinc/52/91/17/637529117.db2.gz GRKZNTSCNHTSFK-HNNXBMFYSA-N 1 0 289.423 2.449 20 10 CECDRO Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832283706 637533227 /nfs/dbraw/zinc/53/32/27/637533227.db2.gz AIWGMFMYFAGMDO-QGZVFWFLSA-N 1 0 297.402 2.491 20 10 CECDRO NC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000841087862 637582807 /nfs/dbraw/zinc/58/28/07/637582807.db2.gz RBUVSECGWLFREE-HNNXBMFYSA-N 1 0 260.381 2.229 20 10 CECDRO COCCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876645650 650372706 /nfs/dbraw/zinc/37/27/06/650372706.db2.gz PPFIQMUHFLCZLF-UHFFFAOYSA-N 1 0 292.423 2.116 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCCOC[C@@H]1CCOC1)CC2 ZINC000834598990 637886482 /nfs/dbraw/zinc/88/64/82/637886482.db2.gz URDUCYUQKGKFAV-DZGCQCFKSA-N 1 0 291.391 2.412 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCc3c[nH]nc3C1)CC2 ZINC000834620985 637893336 /nfs/dbraw/zinc/89/33/36/637893336.db2.gz ZTXMVVSAOPZDTH-QWHCGFSZSA-N 1 0 269.348 2.250 20 10 CECDRO OC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccco1 ZINC000834624027 637894135 /nfs/dbraw/zinc/89/41/35/637894135.db2.gz DWWBYTNRJDTDNB-SWLSCSKDSA-N 1 0 287.359 2.413 20 10 CECDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c(C)n1-c1ccccn1 ZINC000834770620 637946335 /nfs/dbraw/zinc/94/63/35/637946335.db2.gz JFZVJXJFNJYAEE-ZFWWWQNUSA-N 1 0 298.390 2.051 20 10 CECDRO CC[C@H]([NH2+]C(COC)COC)c1ccc(N(C)C)cc1 ZINC000834893807 637979942 /nfs/dbraw/zinc/97/99/42/637979942.db2.gz XTVQVMKYBSTOCA-INIZCTEOSA-N 1 0 280.412 2.455 20 10 CECDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000834901984 637982966 /nfs/dbraw/zinc/98/29/66/637982966.db2.gz YQWXJJDNTQSMNE-NEPJUHHUSA-N 1 0 264.369 2.184 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000876659431 650384185 /nfs/dbraw/zinc/38/41/85/650384185.db2.gz WZZSEDGYVCZNDZ-CQSZACIVSA-N 1 0 260.381 2.371 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000835024502 638029063 /nfs/dbraw/zinc/02/90/63/638029063.db2.gz CDLRPPSSZILQDG-OICCZTGUSA-N 1 0 274.408 2.470 20 10 CECDRO COC(=O)[C@@H]1CCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835025773 638029401 /nfs/dbraw/zinc/02/94/01/638029401.db2.gz NIAYNBGCVUVDPL-NBUZRDOWSA-N 1 0 288.391 2.403 20 10 CECDRO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835026456 638029438 /nfs/dbraw/zinc/02/94/38/638029438.db2.gz WTWGLFMZMLWLHG-ZRUQZJFASA-N 1 0 260.381 2.487 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@](C)(O)C2)cc1 ZINC000835027836 638030569 /nfs/dbraw/zinc/03/05/69/638030569.db2.gz GVCWHBHFRXMXPA-APHBUQMISA-N 1 0 260.381 2.223 20 10 CECDRO COC[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)OC ZINC000835046989 638037068 /nfs/dbraw/zinc/03/70/68/638037068.db2.gz BGJQTKKBNPKEOP-SQRWCISFSA-N 1 0 278.396 2.017 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@H+](C)CC2CC(O)C2)cc1 ZINC000835046394 638037477 /nfs/dbraw/zinc/03/74/77/638037477.db2.gz WAXMRKOTOBGHOV-SNAWJCMRSA-N 1 0 274.408 2.469 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cncn2C)cc1 ZINC000835052622 638039958 /nfs/dbraw/zinc/03/99/58/638039958.db2.gz HVCZCRLMMGSHMX-SNAWJCMRSA-N 1 0 270.380 2.289 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1 ZINC000835054335 638041164 /nfs/dbraw/zinc/04/11/64/638041164.db2.gz KGMOBUUFOHTEBA-NMONBKHDSA-N 1 0 287.407 2.009 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000835088553 638057783 /nfs/dbraw/zinc/05/77/83/638057783.db2.gz SLMILJBYLGOENU-WDEREUQCSA-N 1 0 251.326 2.058 20 10 CECDRO Cc1nc(CC[N@@H+](C)Cc2c(C)cccc2O)no1 ZINC000876672248 650392858 /nfs/dbraw/zinc/39/28/58/650392858.db2.gz KYVPVKPTRWYAGG-UHFFFAOYSA-N 1 0 261.325 2.067 20 10 CECDRO COCCOC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876724880 650410334 /nfs/dbraw/zinc/41/03/34/650410334.db2.gz BFTNFFXVKVEIEV-UHFFFAOYSA-N 1 0 279.380 2.328 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000876767475 650425641 /nfs/dbraw/zinc/42/56/41/650425641.db2.gz KGRYSJVJHZBWMR-INIZCTEOSA-N 1 0 291.439 2.441 20 10 CECDRO CSCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876892236 650476308 /nfs/dbraw/zinc/47/63/08/650476308.db2.gz ICXCDVXVIAXCQX-UHFFFAOYSA-N 1 0 280.437 2.100 20 10 CECDRO CN(C)c1ccc(C[NH2+]C2CC(n3cccn3)C2)cc1 ZINC000876906116 650480658 /nfs/dbraw/zinc/48/06/58/650480658.db2.gz QZZJHYYZLRSLPP-UHFFFAOYSA-N 1 0 270.380 2.442 20 10 CECDRO CCOC(=O)N1CCC([NH2+]Cc2c(C)cccc2O)CC1 ZINC000876917876 650486020 /nfs/dbraw/zinc/48/60/20/650486020.db2.gz GVEOROMKVYWIPA-UHFFFAOYSA-N 1 0 292.379 2.411 20 10 CECDRO CC[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccccc1O ZINC000156368077 639346765 /nfs/dbraw/zinc/34/67/65/639346765.db2.gz YOOBBVQPEKGPGU-HOCLYGCPSA-N 1 0 279.380 2.222 20 10 CECDRO COC(=O)CC[N@H+](Cc1cc(C)cc(OC)c1O)C(C)C ZINC000164330472 639364712 /nfs/dbraw/zinc/36/47/12/639364712.db2.gz FSLLEMFUPFTKGV-UHFFFAOYSA-N 1 0 295.379 2.483 20 10 CECDRO CC[S@@](=O)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840897390 639576525 /nfs/dbraw/zinc/57/65/25/639576525.db2.gz OTSZXMSFCAFDDW-QGZVFWFLSA-N 1 0 275.801 2.212 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(CO)CC1 ZINC000840910629 639583411 /nfs/dbraw/zinc/58/34/11/639583411.db2.gz UILMYUZHBMJQHN-UHFFFAOYSA-N 1 0 262.397 2.265 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1cnn(C)c1 ZINC000840930177 639589012 /nfs/dbraw/zinc/58/90/12/639589012.db2.gz SDHUSTHEPSAPOM-UHFFFAOYSA-N 1 0 272.396 2.127 20 10 CECDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936270 639591375 /nfs/dbraw/zinc/59/13/75/639591375.db2.gz HYNJZFZFWNNGGL-KGLIPLIRSA-N 1 0 291.439 2.454 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000840937590 639592567 /nfs/dbraw/zinc/59/25/67/639592567.db2.gz SDRISGGUCZJGJH-UHFFFAOYSA-N 1 0 290.407 2.400 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2CCC(O)CC2)c1 ZINC000227624539 639598166 /nfs/dbraw/zinc/59/81/66/639598166.db2.gz IQCNUOXHMRJVLV-UHFFFAOYSA-N 1 0 265.353 2.042 20 10 CECDRO CC(C)NC(=O)[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000840974264 639605995 /nfs/dbraw/zinc/60/59/95/639605995.db2.gz DAMJFILECDFOGU-PSKZRQQASA-N 1 0 289.423 2.269 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000840977602 639607914 /nfs/dbraw/zinc/60/79/14/639607914.db2.gz ITGMYBZXFRAUDA-VXGBXAGGSA-N 1 0 265.353 2.042 20 10 CECDRO CCCC[C@@H](CN)[NH2+]Cc1ccc(OCC)cc1O ZINC000841028374 639621454 /nfs/dbraw/zinc/62/14/54/639621454.db2.gz CJRQXIAWJKNRRW-ZDUSSCGKSA-N 1 0 266.385 2.398 20 10 CECDRO CCOc1cccc(CNC[C@H]2CCCC[NH2+]2)c1O ZINC000841033372 639625613 /nfs/dbraw/zinc/62/56/13/639625613.db2.gz SESBBQDESRCZGS-CYBMUJFWSA-N 1 0 264.369 2.023 20 10 CECDRO C[C@@H](C[NH3+])NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841065527 639641228 /nfs/dbraw/zinc/64/12/28/639641228.db2.gz DUBJYTKQNZIBPP-LBPRGKRZSA-N 1 0 292.383 2.022 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@H]1C[NH2+]CCC1(F)F ZINC000841080987 639649739 /nfs/dbraw/zinc/64/97/39/639649739.db2.gz RPNJERXFSOHMAM-CQSZACIVSA-N 1 0 283.366 2.148 20 10 CECDRO [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000841084949 639650610 /nfs/dbraw/zinc/65/06/10/639650610.db2.gz QTDLUFHCWMKKCP-KWQFWETISA-N 1 0 299.758 2.171 20 10 CECDRO CCOCc1cc(CN[C@@H]2CCCC[NH2+]C2)ccc1OC ZINC000841088802 639653012 /nfs/dbraw/zinc/65/30/12/639653012.db2.gz CMHQFZMSAQYKHL-MRXNPFEDSA-N 1 0 292.423 2.463 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C(OC)OC)c1O ZINC000229052160 639674223 /nfs/dbraw/zinc/67/42/23/639674223.db2.gz PKJPNNBISPFFHP-QMMMGPOBSA-N 1 0 289.759 2.151 20 10 CECDRO COCCCN1CCC([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876995583 650524078 /nfs/dbraw/zinc/52/40/78/650524078.db2.gz FSXFHWJFKOPUHC-UHFFFAOYSA-N 1 0 292.423 2.291 20 10 CECDRO Cc1nn(C)c(C)c1C[NH2+]Cc1c(C)cccc1O ZINC000877000308 650525938 /nfs/dbraw/zinc/52/59/38/650525938.db2.gz MYAQAHZKLMTUKY-UHFFFAOYSA-N 1 0 259.353 2.341 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC(=O)NC1CCCCC1 ZINC000877009919 650530602 /nfs/dbraw/zinc/53/06/02/650530602.db2.gz FHTFVVBWQAZJBY-UHFFFAOYSA-N 1 0 276.380 2.239 20 10 CECDRO CC[S@](=O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841762983 639860695 /nfs/dbraw/zinc/86/06/95/639860695.db2.gz LFNJDBAZXOAWDZ-XYZCENFISA-N 1 0 275.801 2.465 20 10 CECDRO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccccc1O ZINC000841765337 639861550 /nfs/dbraw/zinc/86/15/50/639861550.db2.gz PPCSOUJHDPBDCQ-QWRGUYRKSA-N 1 0 270.323 2.382 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]Cc2cnnn2CC)cc1 ZINC000841858239 639885701 /nfs/dbraw/zinc/88/57/01/639885701.db2.gz OONFGVJDDUPTIX-UHFFFAOYSA-N 1 0 287.411 2.434 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CCC[NH3+] ZINC000841999233 639917527 /nfs/dbraw/zinc/91/75/27/639917527.db2.gz DRSFFMAEMCVBRY-CYBMUJFWSA-N 1 0 293.411 2.441 20 10 CECDRO Cc1ccc(C[NH2+]CCCOC[C@H]2CCOC2)c(O)c1 ZINC000877060480 650554563 /nfs/dbraw/zinc/55/45/63/650554563.db2.gz YOBXUJCCBQCTRZ-CQSZACIVSA-N 1 0 279.380 2.233 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1 ZINC000842761718 640173258 /nfs/dbraw/zinc/17/32/58/640173258.db2.gz UPNBQELNZUNPQQ-QGZVFWFLSA-N 1 0 292.423 2.020 20 10 CECDRO CC(C)[NH+]1CCC(C(=O)N(C)c2ccc(N)cc2)CC1 ZINC000877077643 650561933 /nfs/dbraw/zinc/56/19/33/650561933.db2.gz PUEWDLHQLBLNEB-UHFFFAOYSA-N 1 0 275.396 2.352 20 10 CECDRO [O-]c1c(F)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843046148 640250925 /nfs/dbraw/zinc/25/09/25/640250925.db2.gz OLYLJRVQTUJAFW-OAHLLOKOSA-N 1 0 278.371 2.495 20 10 CECDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cccc(F)c1O ZINC000843045893 640251166 /nfs/dbraw/zinc/25/11/66/640251166.db2.gz LMRPJZBWUYTYPX-ZWNOBZJWSA-N 1 0 252.333 2.233 20 10 CECDRO Cc1cc(Cl)cc(CN2CCC([NH3+])CC2)c1O ZINC000843047620 640252102 /nfs/dbraw/zinc/25/21/02/640252102.db2.gz RCUYPRRHASEKOX-UHFFFAOYSA-N 1 0 254.761 2.277 20 10 CECDRO C[NH2+]C[C@@H]1CCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000843055039 640257799 /nfs/dbraw/zinc/25/77/99/640257799.db2.gz DTUFLIWKDBUNEO-AATOQMJSSA-N 1 0 273.424 2.450 20 10 CECDRO C[C@@H](CC(=O)N(C)c1ccc(N)cc1)C1CC[NH2+]CC1 ZINC000877078864 650563151 /nfs/dbraw/zinc/56/31/51/650563151.db2.gz IDBZCEDCRTYNEX-LBPRGKRZSA-N 1 0 275.396 2.257 20 10 CECDRO Cc1cc(O)c(CN2CC[NH2+][C@@H](C(C)C)C2)cc1C ZINC000843103928 640281321 /nfs/dbraw/zinc/28/13/21/640281321.db2.gz DZBPICLJOSKHKU-OAHLLOKOSA-N 1 0 262.397 2.439 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000843105844 640282551 /nfs/dbraw/zinc/28/25/51/640282551.db2.gz XJGQCMYUZUEZJA-QGZVFWFLSA-N 1 0 275.440 2.491 20 10 CECDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)ccc1O ZINC000843122932 640290493 /nfs/dbraw/zinc/29/04/93/640290493.db2.gz XHQLQVDZIMNFIL-RYUDHWBXSA-N 1 0 272.751 2.177 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000843127532 640294316 /nfs/dbraw/zinc/29/43/16/640294316.db2.gz SIYWXYIARAGREP-GWCFXTLKSA-N 1 0 266.772 2.229 20 10 CECDRO CC(C)CNC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350212 640399655 /nfs/dbraw/zinc/39/96/55/640399655.db2.gz PLXJGLXOPIDQST-CYBMUJFWSA-N 1 0 289.423 2.059 20 10 CECDRO CCCn1ncnc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350726 640399825 /nfs/dbraw/zinc/39/98/25/640399825.db2.gz UAZXZQOUWQJVTB-UHFFFAOYSA-N 1 0 285.395 2.100 20 10 CECDRO CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CC[C@H]1[NH3+] ZINC000843376554 640410566 /nfs/dbraw/zinc/41/05/66/640410566.db2.gz AXEXLBAIKFXIGQ-IAQYHMDHSA-N 1 0 294.370 2.293 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN(C)C2CC([NH3+])C2)c1O ZINC000843387532 640413811 /nfs/dbraw/zinc/41/38/11/640413811.db2.gz LLLQUUGZQQBJKE-UHFFFAOYSA-N 1 0 282.771 2.170 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000844186648 640626733 /nfs/dbraw/zinc/62/67/33/640626733.db2.gz MGOXMMIYTQOJIP-LRDDRELGSA-N 1 0 289.423 2.065 20 10 CECDRO CCO[C@@H]1C[N@H+](Cc2cc(Cl)cc(C)c2O)C[C@H]1C[NH3+] ZINC000844903607 640861244 /nfs/dbraw/zinc/86/12/44/640861244.db2.gz HLUFXQBGCFESJS-TZMCWYRMSA-N 1 0 298.814 2.150 20 10 CECDRO CC(C)[N@H+](C)CCNC(=O)NCc1cc(Cl)ccc1O ZINC000844946439 640873902 /nfs/dbraw/zinc/87/39/02/640873902.db2.gz SZZOBQPZWUWHRJ-UHFFFAOYSA-N 1 0 299.802 2.185 20 10 CECDRO CC[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccccc1O ZINC000846108712 641183997 /nfs/dbraw/zinc/18/39/97/641183997.db2.gz QTYGKMRMFNQUKM-GOEBONIOSA-N 1 0 279.380 2.365 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CCCNC(C)=O)cc1 ZINC000920780735 641196151 /nfs/dbraw/zinc/19/61/51/641196151.db2.gz AHOKSDJWXJUOTC-UHFFFAOYSA-N 1 0 291.439 2.491 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1O ZINC000846142276 641198959 /nfs/dbraw/zinc/19/89/59/641198959.db2.gz ZUFFCEQQIGNDMV-BXUZGUMPSA-N 1 0 278.396 2.392 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)c1O ZINC000846142280 641199503 /nfs/dbraw/zinc/19/95/03/641199503.db2.gz ZUFFCEQQIGNDMV-RISCZKNCSA-N 1 0 278.396 2.392 20 10 CECDRO CC[C@H](CCO)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846145520 641202121 /nfs/dbraw/zinc/20/21/21/641202121.db2.gz OGOXGPFQPBBZAZ-WDEREUQCSA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1O ZINC000846149464 641202955 /nfs/dbraw/zinc/20/29/55/641202955.db2.gz ZRCFISXTTIBQJW-CHWSQXEVSA-N 1 0 278.396 2.393 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)CC[S@@](C)=O)c1O ZINC000846152852 641204531 /nfs/dbraw/zinc/20/45/31/641204531.db2.gz FBHJHVPEBZCGTE-RMDKCXRXSA-N 1 0 285.409 2.209 20 10 CECDRO CCn1cc(C[NH2+][C@@H](C)c2cccc(OC)c2O)cn1 ZINC000846152220 641204811 /nfs/dbraw/zinc/20/48/11/641204811.db2.gz QMRUDENGCGUSAI-NSHDSACASA-N 1 0 275.352 2.468 20 10 CECDRO COC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C1CC1 ZINC000846157672 641206659 /nfs/dbraw/zinc/20/66/59/641206659.db2.gz OAHRJPHVABLYJQ-GXFFZTMASA-N 1 0 265.353 2.476 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000846204641 641221048 /nfs/dbraw/zinc/22/10/48/641221048.db2.gz AGNYHRXPPZXHBT-OLZOCXBDSA-N 1 0 288.391 2.362 20 10 CECDRO C[C@@H](NC(=O)/C=C/[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000877255846 650644214 /nfs/dbraw/zinc/64/42/14/650644214.db2.gz INZKWLPXKAIMCN-RYYBZQDPSA-N 1 0 274.364 2.125 20 10 CECDRO CCC[N@H+](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846475769 641312122 /nfs/dbraw/zinc/31/21/22/641312122.db2.gz IVPREAQIIXLHNZ-UHFFFAOYSA-N 1 0 270.760 2.004 20 10 CECDRO Cc1cccc(C[NH+]2CCN(CCOC(C)C)CC2)c1O ZINC000180375160 641452180 /nfs/dbraw/zinc/45/21/80/641452180.db2.gz ABAWFANXFDGVQC-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO C[C@@](O)(C[NH2+]Cc1cc(F)ccc1O)c1ccco1 ZINC000180823048 641486500 /nfs/dbraw/zinc/48/65/00/641486500.db2.gz ZZEGWMRDDXKXJN-CQSZACIVSA-N 1 0 265.284 2.122 20 10 CECDRO COCC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000848564791 642055762 /nfs/dbraw/zinc/05/57/62/642055762.db2.gz INQYWIKBXSGURG-UHFFFAOYSA-N 1 0 266.360 2.408 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1 ZINC000848571554 642059194 /nfs/dbraw/zinc/05/91/94/642059194.db2.gz QKBSZFSIALVIMX-AAEUAGOBSA-N 1 0 290.363 2.334 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000769532504 642136114 /nfs/dbraw/zinc/13/61/14/642136114.db2.gz KFHUVPPNHUGXPS-OAHLLOKOSA-N 1 0 263.337 2.013 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(CC)c2O)C1 ZINC000848899294 642178059 /nfs/dbraw/zinc/17/80/59/642178059.db2.gz MSDAIBSNGSPKHB-CQSZACIVSA-N 1 0 276.380 2.055 20 10 CECDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cccc(CC)c2O)C1 ZINC000848903155 642180518 /nfs/dbraw/zinc/18/05/18/642180518.db2.gz NONVRGRCDABQDB-AWEZNQCLSA-N 1 0 292.379 2.275 20 10 CECDRO CCc1cccc(C[NH2+]Cc2ccc(CC(N)=O)cc2)c1O ZINC000848912686 642187336 /nfs/dbraw/zinc/18/73/36/642187336.db2.gz ITXQVFWJMDUFAH-UHFFFAOYSA-N 1 0 298.386 2.272 20 10 CECDRO CCc1cccc(C[NH2+]Cc2ccn(CC)n2)c1O ZINC000848917864 642191032 /nfs/dbraw/zinc/19/10/32/642191032.db2.gz ZCPIPVSVOMBMBB-UHFFFAOYSA-N 1 0 259.353 2.461 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1O ZINC000848918798 642192079 /nfs/dbraw/zinc/19/20/79/642192079.db2.gz MIIYHOWWTIEMMN-LBPRGKRZSA-N 1 0 288.391 2.055 20 10 CECDRO COc1ccc(C[NH2+]C2CC(N(C)C(C)=O)C2)cc1C ZINC000998330254 642387766 /nfs/dbraw/zinc/38/77/66/642387766.db2.gz HYKWOZAJQHRLPD-UHFFFAOYSA-N 1 0 276.380 2.103 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000877494286 650750787 /nfs/dbraw/zinc/75/07/87/650750787.db2.gz JIMNXBDMZQKYKV-WMLDXEAASA-N 1 0 291.391 2.471 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000877513481 650758315 /nfs/dbraw/zinc/75/83/15/650758315.db2.gz WWTYILWGFDPWHK-INIZCTEOSA-N 1 0 277.364 2.082 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000850343906 642674723 /nfs/dbraw/zinc/67/47/23/642674723.db2.gz TWPDKIZFDVQZSG-LBPRGKRZSA-N 1 0 278.396 2.363 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)c1 ZINC000850352102 642677641 /nfs/dbraw/zinc/67/76/41/642677641.db2.gz MIGMPIFZUVURDG-PWSUYJOCSA-N 1 0 258.325 2.088 20 10 CECDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccccc2O)C1 ZINC000850353966 642678683 /nfs/dbraw/zinc/67/86/83/642678683.db2.gz RCBHOTJBRHTHET-BPLDGKMQSA-N 1 0 279.380 2.048 20 10 CECDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccccc2O)C1 ZINC000850353967 642679119 /nfs/dbraw/zinc/67/91/19/642679119.db2.gz RCBHOTJBRHTHET-CFVMTHIKSA-N 1 0 279.380 2.048 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1C ZINC000850387939 642695581 /nfs/dbraw/zinc/69/55/81/642695581.db2.gz DCONVJTWNQYZBJ-HUUCEWRRSA-N 1 0 261.365 2.402 20 10 CECDRO CC(C)(C[NH2+]Cc1ccccc1O)[C@@]1(O)CCCOC1 ZINC000850401036 642701158 /nfs/dbraw/zinc/70/11/58/642701158.db2.gz TWMHBKUNFGKOHM-MRXNPFEDSA-N 1 0 279.380 2.050 20 10 CECDRO OC1CCN(c2ccc(C[NH2+]CC3CC3)cc2)CC1 ZINC000850405712 642702715 /nfs/dbraw/zinc/70/27/15/642702715.db2.gz AKSYNRNJBAZLQH-UHFFFAOYSA-N 1 0 260.381 2.147 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2nccn2C)c1 ZINC000850410655 642703500 /nfs/dbraw/zinc/70/35/00/642703500.db2.gz ZGXHZVBCPNUMEV-LLVKDONJSA-N 1 0 275.352 2.375 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000850547299 642748390 /nfs/dbraw/zinc/74/83/90/642748390.db2.gz SCZXARNURROYQT-VIFPVBQESA-N 1 0 286.759 2.394 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@]2(C)OC)c1O ZINC000850570947 642755087 /nfs/dbraw/zinc/75/50/87/642755087.db2.gz KSYPCTBHWVDFJD-BHYNMZESSA-N 1 0 251.326 2.229 20 10 CECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@@H](F)C3)cc2)CC1 ZINC000877558995 650787950 /nfs/dbraw/zinc/78/79/50/650787950.db2.gz HODVSDIQOJWHIC-CQSZACIVSA-N 1 0 278.371 2.192 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921996793 642831780 /nfs/dbraw/zinc/83/17/80/642831780.db2.gz IHAUCGGDDIVJBJ-DOTOQJQBSA-N 1 0 291.391 2.295 20 10 CECDRO O[C@@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922043987 642854371 /nfs/dbraw/zinc/85/43/71/642854371.db2.gz IMXBVCSMKWOHOF-DZGCQCFKSA-N 1 0 261.365 2.262 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000877572632 650794972 /nfs/dbraw/zinc/79/49/72/650794972.db2.gz RLQJOGLCEZSKME-GWCFXTLKSA-N 1 0 289.297 2.446 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2OCCCO2)cc1 ZINC000922277414 642996787 /nfs/dbraw/zinc/99/67/87/642996787.db2.gz AXZFNOFPVSQOHO-HWKANZROSA-N 1 0 276.380 2.118 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@]2(OC)CCSC2)c(O)c1 ZINC000922572678 643131431 /nfs/dbraw/zinc/13/14/31/643131431.db2.gz ZGSOQSDCTGMVKT-HNNXBMFYSA-N 1 0 297.420 2.403 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@H]2CCN2C)ccc1OC ZINC000922573903 643131984 /nfs/dbraw/zinc/13/19/84/643131984.db2.gz HFXSZFPZTIWEIB-OAHLLOKOSA-N 1 0 278.396 2.025 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@]1(OC(C)C)CCOC1 ZINC000922612213 643162230 /nfs/dbraw/zinc/16/22/30/643162230.db2.gz ZAGHLASQUIXHHR-INIZCTEOSA-N 1 0 295.379 2.075 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000877621149 650817959 /nfs/dbraw/zinc/81/79/59/650817959.db2.gz QFXYKQKFACXMHS-UHFFFAOYSA-N 1 0 297.420 2.005 20 10 CECDRO CC(C)[N@H+](C)C[C@H](O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000851951562 643239927 /nfs/dbraw/zinc/23/99/27/643239927.db2.gz YUDZSYZVWRDYOU-RHSMWYFYSA-N 1 0 293.455 2.104 20 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291.391 2.023 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c(O)c1 ZINC000877681030 650846655 /nfs/dbraw/zinc/84/66/55/650846655.db2.gz COSAGMUZOMSIGN-RDUHTLEXSA-N 1 0 259.349 2.214 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1O ZINC000877683594 650849055 /nfs/dbraw/zinc/84/90/55/650849055.db2.gz YXOKOXUZUCLNDY-LVNYTYFRSA-N 1 0 273.376 2.468 20 10 CECDRO CCOc1ccccc1N(C)C(=O)C=C1CC[NH2+]CC1 ZINC000852889510 643589585 /nfs/dbraw/zinc/58/95/85/643589585.db2.gz RLVCNULVNGPLGM-UHFFFAOYSA-N 1 0 274.364 2.358 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(CCO)(CCO)CC2)c1 ZINC000877692223 650853638 /nfs/dbraw/zinc/85/36/38/650853638.db2.gz WCJVOIPVPNJKLB-UHFFFAOYSA-N 1 0 293.407 2.048 20 10 CECDRO CCCCOC[C@@H](O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000923287486 643642119 /nfs/dbraw/zinc/64/21/19/643642119.db2.gz PCRIKYHVKNDWIU-INIZCTEOSA-N 1 0 292.423 2.076 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2ccnn2CC)c1 ZINC000853093584 643649871 /nfs/dbraw/zinc/64/98/71/643649871.db2.gz ONTQVDKZPRQBFT-UHFFFAOYSA-N 1 0 275.352 2.297 20 10 CECDRO CN1CCCc2cc(C[NH2+]C[C@H](O)c3ccccn3)ccc21 ZINC000853098587 643652125 /nfs/dbraw/zinc/65/21/25/643652125.db2.gz OAPWHAIOTKVUDU-SFHVURJKSA-N 1 0 297.402 2.287 20 10 CECDRO COc1ccc(N(C)CCC[NH2+]C2CC2)cc1F ZINC000923316641 643656338 /nfs/dbraw/zinc/65/63/38/643656338.db2.gz LTAGLWXVWJBCFR-UHFFFAOYSA-N 1 0 252.333 2.413 20 10 CECDRO Cc1cc(CN2C[C@@H]([NH3+])C(C)(C)C2)ccc1N(C)C ZINC000923432030 643710265 /nfs/dbraw/zinc/71/02/65/643710265.db2.gz ZVIGOWFFFOUXLA-OAHLLOKOSA-N 1 0 261.413 2.230 20 10 CECDRO COC(=O)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000877721559 650870047 /nfs/dbraw/zinc/87/00/47/650870047.db2.gz REHXVFQJPZHTDI-UHFFFAOYSA-N 1 0 263.337 2.045 20 10 CECDRO C[N@@H+](Cc1cc2c(cc1O)CCCC2)C[C@H]1COCCO1 ZINC000853558336 643812803 /nfs/dbraw/zinc/81/28/03/643812803.db2.gz RMACHXQUBGNVRZ-INIZCTEOSA-N 1 0 291.391 2.118 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1O ZINC000853566125 643814743 /nfs/dbraw/zinc/81/47/43/643814743.db2.gz MCXDFDXPAFBRGS-CJNGLKHVSA-N 1 0 277.364 2.178 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000854230315 644019077 /nfs/dbraw/zinc/01/90/77/644019077.db2.gz MQZSUUKVHZRLFR-SMDDNHRTSA-N 1 0 294.395 2.203 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1 ZINC000839147733 644158262 /nfs/dbraw/zinc/15/82/62/644158262.db2.gz QFVCJQRHHWAKCY-XBXGTLAGSA-N 1 0 265.353 2.446 20 10 CECDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C12CCC2 ZINC000839182688 644181482 /nfs/dbraw/zinc/18/14/82/644181482.db2.gz PAXABGJZFBMALA-HUUCEWRRSA-N 1 0 291.347 2.168 20 10 CECDRO Cc1cccc(C[NH2+]C2(CO)CCSCC2)c1O ZINC000839182051 644181629 /nfs/dbraw/zinc/18/16/29/644181629.db2.gz MCCRFLZVWAOFNX-UHFFFAOYSA-N 1 0 267.394 2.048 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCNC2=O)cc1 ZINC000839197090 644190494 /nfs/dbraw/zinc/19/04/94/644190494.db2.gz ZVQFFKCVTUGRKO-HNNXBMFYSA-N 1 0 289.423 2.149 20 10 CECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000877777759 650906907 /nfs/dbraw/zinc/90/69/07/650906907.db2.gz DOMXNWDMGLQXTR-ZYHUDNBSSA-N 1 0 283.368 2.049 20 10 CECDRO CC[C@H]([NH2+]C[C@@](C)(O)COC)c1cccc(Cl)c1[O-] ZINC000806140702 644423342 /nfs/dbraw/zinc/42/33/42/644423342.db2.gz ZOSPYCBZKMWRLU-GXTWGEPZSA-N 1 0 287.787 2.484 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CO)CC2CC2)c(O)c1 ZINC000754833855 644437986 /nfs/dbraw/zinc/43/79/86/644437986.db2.gz LYTIUGOKDKTNHX-CYBMUJFWSA-N 1 0 265.353 2.042 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)C[C@H]1C ZINC000755927414 644584280 /nfs/dbraw/zinc/58/42/80/644584280.db2.gz BIXYYNOVBZGEKF-IAQYHMDHSA-N 1 0 289.375 2.122 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756355142 644634081 /nfs/dbraw/zinc/63/40/81/644634081.db2.gz JMQLDYWDMHFPPD-YWVKMMECSA-N 1 0 280.343 2.194 20 10 CECDRO C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756491099 644654390 /nfs/dbraw/zinc/65/43/90/644654390.db2.gz XVVWQTLKXVDOOH-UMNHJUIQSA-N 1 0 290.342 2.349 20 10 CECDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc2c(cc1O)CCCC2 ZINC000756528724 644658970 /nfs/dbraw/zinc/65/89/70/644658970.db2.gz VYZDYAIGRWPABG-FZMZJTMJSA-N 1 0 288.391 2.152 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCNc2cnccn2)c(O)c1 ZINC000756647959 644677638 /nfs/dbraw/zinc/67/76/38/644677638.db2.gz XPNKGKSHYSFMFY-GFCCVEGCSA-N 1 0 272.352 2.253 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)nc2)c(O)c1 ZINC000756641937 644677911 /nfs/dbraw/zinc/67/79/11/644677911.db2.gz ZNEPYUXKWYJQLR-NSHDSACASA-N 1 0 285.347 2.045 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c(O)c1C ZINC000756757864 644689491 /nfs/dbraw/zinc/68/94/91/644689491.db2.gz FWCCERPFHNHHBV-LZWOXQAQSA-N 1 0 292.423 2.379 20 10 CECDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1CO ZINC000856796012 644728783 /nfs/dbraw/zinc/72/87/83/644728783.db2.gz MXALOZWQBPCNQL-ZFWWWQNUSA-N 1 0 262.397 2.203 20 10 CECDRO C[NH2+]CCN(C)Cc1cc(Br)cc(C)c1O ZINC000843057769 644781253 /nfs/dbraw/zinc/78/12/53/644781253.db2.gz UPRIRQPRAFJNQA-UHFFFAOYSA-N 1 0 287.201 2.114 20 10 CECDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1CO ZINC000857061202 644806485 /nfs/dbraw/zinc/80/64/85/644806485.db2.gz LXPZOBDMRFAHNT-GXTWGEPZSA-N 1 0 280.387 2.342 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000758503278 644935818 /nfs/dbraw/zinc/93/58/18/644935818.db2.gz FFHHJUJTNHRTOU-SNVBAGLBSA-N 1 0 277.755 2.416 20 10 CECDRO C[C@@H](C[NH+](C)C)NCc1cc(F)c(N(C)C)cc1F ZINC000858163734 645078230 /nfs/dbraw/zinc/07/82/30/645078230.db2.gz IWBHZLBBVMQBMM-JTQLQIEISA-N 1 0 271.355 2.071 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000858281579 645106572 /nfs/dbraw/zinc/10/65/72/645106572.db2.gz UXQVNIFIIYBBAN-QGZVFWFLSA-N 1 0 295.386 2.406 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@H]2C[C@@H](O)C2)ccc1OC ZINC000858296368 645109377 /nfs/dbraw/zinc/10/93/77/645109377.db2.gz NOTJRRPQMFUGGY-OTVXOJSOSA-N 1 0 279.380 2.092 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000858295514 645109402 /nfs/dbraw/zinc/10/94/02/645109402.db2.gz DYHNYQFTKFQIAB-NHYWBVRUSA-N 1 0 263.337 2.058 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000858295851 645109857 /nfs/dbraw/zinc/10/98/57/645109857.db2.gz KFSCAGJJZIZPBE-XJKSGUPXSA-N 1 0 277.364 2.448 20 10 CECDRO CC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000858494359 645181017 /nfs/dbraw/zinc/18/10/17/645181017.db2.gz QIFQZSNUCAOYAX-UMVBOHGHSA-N 1 0 275.396 2.057 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc[nH]c2=O)c1O ZINC000858562717 645203428 /nfs/dbraw/zinc/20/34/28/645203428.db2.gz HNGVRIHQOADROF-SNVBAGLBSA-N 1 0 274.320 2.352 20 10 CECDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000858580194 645208859 /nfs/dbraw/zinc/20/88/59/645208859.db2.gz XNBBJGTUWVJCSB-WCABBAIRSA-N 1 0 296.342 2.078 20 10 CECDRO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(F)ccc1O ZINC000858602647 645218218 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C[C@H]([N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)C1(C)CC1 ZINC000768463644 646126438 /nfs/dbraw/zinc/12/64/38/646126438.db2.gz KWTAFDQCZGECTJ-HZMBPMFUSA-N 1 0 277.364 2.438 20 10 CECDRO C[N@H+](CCOC(C)(C)C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768463753 646126545 /nfs/dbraw/zinc/12/65/45/646126545.db2.gz WPEPGTJBPQKSGY-CQSZACIVSA-N 1 0 295.379 2.065 20 10 CECDRO CC[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768464198 646126970 /nfs/dbraw/zinc/12/69/70/646126970.db2.gz ODTCSGVSHMRFQT-YGRLFVJLSA-N 1 0 263.337 2.050 20 10 CECDRO COc1cc(C[N@@H+]2CCCOC[C@H]2C)c(O)cc1C ZINC000768463636 646127068 /nfs/dbraw/zinc/12/70/68/646127068.db2.gz VFYNOOTVVLYMGK-GFCCVEGCSA-N 1 0 265.353 2.320 20 10 CECDRO C[N@H+](Cc1ccoc1)Cc1cc2c(cc1O)OCO2 ZINC000769003279 646190924 /nfs/dbraw/zinc/19/09/24/646190924.db2.gz DMLLTJVISPOMQS-UHFFFAOYSA-N 1 0 261.277 2.346 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H](C)[NH3+])cc1 ZINC000861562087 646207381 /nfs/dbraw/zinc/20/73/81/646207381.db2.gz SGDBIZVYSQPMPK-CYBMUJFWSA-N 1 0 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ZINC000776252578 647042456 /nfs/dbraw/zinc/04/24/56/647042456.db2.gz GZEXEZBVEQXRJS-STQMWFEESA-N 1 0 265.353 2.448 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)cc1F ZINC000778190068 647207699 /nfs/dbraw/zinc/20/76/99/647207699.db2.gz UYWIKLRXZJHDCO-CYBMUJFWSA-N 1 0 288.370 2.193 20 10 CECDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000779106260 647289068 /nfs/dbraw/zinc/28/90/68/647289068.db2.gz BACBXJKHLVUVNG-YGRLFVJLSA-N 1 0 253.317 2.436 20 10 CECDRO Cc1cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)ccc1N(C)C ZINC000779414354 647320642 /nfs/dbraw/zinc/32/06/42/647320642.db2.gz XTCDKBXTMKXRIO-HUUCEWRRSA-N 1 0 262.397 2.310 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c(O)c1 ZINC000865710502 647433396 /nfs/dbraw/zinc/43/33/96/647433396.db2.gz AWBCGMCXYNTHCV-UFBFGSQYSA-N 1 0 293.285 2.192 20 10 CECDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H](O)[C@H](C)O)cc1 ZINC000865742341 647447222 /nfs/dbraw/zinc/44/72/22/647447222.db2.gz YMCGXKGCSLLDDS-YOEHRIQHSA-N 1 0 294.439 2.144 20 10 CECDRO Cn1cc(C(F)F)c(C[NH2+]Cc2ccccc2O)n1 ZINC000865809324 647473407 /nfs/dbraw/zinc/47/34/07/647473407.db2.gz OFSCRZSHGVFUEC-UHFFFAOYSA-N 1 0 267.279 2.353 20 10 CECDRO COc1ccc(N2CCC([NH2+]C3CSC3)CC2)cc1 ZINC000780878938 647477019 /nfs/dbraw/zinc/47/70/19/647477019.db2.gz OIHOUNORQSOYHJ-UHFFFAOYSA-N 1 0 278.421 2.369 20 10 CECDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000780891916 647477773 /nfs/dbraw/zinc/47/77/73/647477773.db2.gz CNROCUNZDTVTPT-DZGCQCFKSA-N 1 0 262.397 2.345 20 10 CECDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(C)c(O)c1O ZINC000780944332 647483415 /nfs/dbraw/zinc/48/34/15/647483415.db2.gz LZRXTXTZZBDZPA-GFCCVEGCSA-N 1 0 292.379 2.010 20 10 CECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865871621 647514486 /nfs/dbraw/zinc/51/44/86/647514486.db2.gz NNZWUVMAPPJXOH-GDBMZVCRSA-N 1 0 292.423 2.162 20 10 CECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865871627 647514819 /nfs/dbraw/zinc/51/48/19/647514819.db2.gz NNZWUVMAPPJXOH-ZBFHGGJFSA-N 1 0 292.423 2.162 20 10 CECDRO C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1O ZINC000866446159 647790013 /nfs/dbraw/zinc/79/00/13/647790013.db2.gz UBVBFUWIYLYNTG-AKXRQVIESA-N 1 0 259.349 2.466 20 10 CECDRO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000866498422 647806821 /nfs/dbraw/zinc/80/68/21/647806821.db2.gz WGRYZLDHSOXJCM-HFBAOOFYSA-N 1 0 291.391 2.071 20 10 CECDRO CC[C@H]([NH2+]Cc1nnnn1CC1CC1)c1ccccc1O ZINC000784266647 647825946 /nfs/dbraw/zinc/82/59/46/647825946.db2.gz XIUZIJAYOJSMMZ-ZDUSSCGKSA-N 1 0 287.367 2.030 20 10 CECDRO CCOC(CC[NH2+]Cc1c(O)cccc1OC)OCC ZINC000786831632 648049241 /nfs/dbraw/zinc/04/92/41/648049241.db2.gz MVAPNPNOJFASHI-UHFFFAOYSA-N 1 0 283.368 2.280 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)[C@H]1C ZINC000787247255 648089946 /nfs/dbraw/zinc/08/99/46/648089946.db2.gz SNGYKTLNQKIRDZ-XHDPSFHLSA-N 1 0 289.375 2.264 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)[C@@H]1C ZINC000787247288 648090193 /nfs/dbraw/zinc/09/01/93/648090193.db2.gz SOBTUBHZQVQKGT-OCCSQVGLSA-N 1 0 277.364 2.392 20 10 CECDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000788269414 648167337 /nfs/dbraw/zinc/16/73/37/648167337.db2.gz NITHILVXFLXPDM-KCJUWKMLSA-N 1 0 286.169 2.110 20 10 CECDRO CCOc1ccc(C[N@H+](C)Cc2cnn(C)c2C)c(O)c1 ZINC000790939921 648462894 /nfs/dbraw/zinc/46/28/94/648462894.db2.gz YKLWLTOQIRHTNG-UHFFFAOYSA-N 1 0 289.379 2.465 20 10 CECDRO CCOc1ccc(C[NH2+][C@]2(CC)CCOC2)c(O)c1 ZINC000791004566 648471838 /nfs/dbraw/zinc/47/18/38/648471838.db2.gz MUYNVOGJHCDBCB-OAHLLOKOSA-N 1 0 265.353 2.450 20 10 CECDRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000792198678 648623832 /nfs/dbraw/zinc/62/38/32/648623832.db2.gz BBFIBVNONZGHFR-KBPBESRZSA-N 1 0 276.380 2.184 20 10 CECDRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000792203397 648625644 /nfs/dbraw/zinc/62/56/44/648625644.db2.gz RXGLIZNBEBLNSF-KBPBESRZSA-N 1 0 275.348 2.053 20 10 CECDRO OC1CCN(c2ccc(C[NH2+]CC3(F)CC3)cc2F)CC1 ZINC000792931909 648689682 /nfs/dbraw/zinc/68/96/82/648689682.db2.gz YFUCIKXOOACTSW-UHFFFAOYSA-N 1 0 296.361 2.379 20 10 CECDRO c1c[nH]c(C[NH2+]CCCSc2nccs2)n1 ZINC000123144021 648821661 /nfs/dbraw/zinc/82/16/61/648821661.db2.gz DFZLVRFBLJNQBD-UHFFFAOYSA-N 1 0 254.384 2.138 20 10 CECDRO C[NH+]1CCC2(CCN(C(=O)C3=CC(=O)CS3)CC2)CC1 ZINC000870507297 648828316 /nfs/dbraw/zinc/82/83/16/648828316.db2.gz KBVLLSFHQFFTJS-UHFFFAOYSA-N 1 0 294.420 2.402 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000794657543 648899811 /nfs/dbraw/zinc/89/98/11/648899811.db2.gz BGXPSEDQKSTCAO-PBHICJAKSA-N 1 0 291.391 2.389 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@H]2COCCO2)cc1C ZINC000873017070 649532469 /nfs/dbraw/zinc/53/24/69/649532469.db2.gz UUAMHKDGVFUWJU-OAHLLOKOSA-N 1 0 279.380 2.289 20 10 CECDRO CCCOc1ccc(C[NH2+]CCCS(C)(=O)=O)cc1C ZINC000873042186 649540546 /nfs/dbraw/zinc/54/05/46/649540546.db2.gz NBZNCKKZIAFFOX-UHFFFAOYSA-N 1 0 299.436 2.308 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC[C@H]2CCOC2=O)cc1F ZINC000873161428 649575645 /nfs/dbraw/zinc/57/56/45/649575645.db2.gz QOUAZXQUUOMGBB-ZDUSSCGKSA-N 1 0 294.370 2.325 20 10 CECDRO CCOCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000127391719 651201529 /nfs/dbraw/zinc/20/15/29/651201529.db2.gz MAYUTMZNFAXVCL-UHFFFAOYSA-N 1 0 269.316 2.202 20 10 CECDRO CC(C)S(=O)(=O)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000879651248 651335645 /nfs/dbraw/zinc/33/56/45/651335645.db2.gz ONYHWCMSFFYMOF-LBPRGKRZSA-N 1 0 285.409 2.256 20 10 CECDRO C[C@H]([NH2+]CCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000879650172 651335868 /nfs/dbraw/zinc/33/58/68/651335868.db2.gz NCICXCDKOFQFGR-MCIONIFRSA-N 1 0 278.396 2.152 20 10 CECDRO [NH3+]C[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000128318759 651410519 /nfs/dbraw/zinc/41/05/19/651410519.db2.gz MMEXEYRPWQUEHA-SNVBAGLBSA-N 1 0 254.761 2.216 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000883166915 652386089 /nfs/dbraw/zinc/38/60/89/652386089.db2.gz LOWMCVYVPLHJMX-NVXWUHKLSA-N 1 0 292.423 2.284 20 10 CECDRO CCn1nccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883182490 652391741 /nfs/dbraw/zinc/39/17/41/652391741.db2.gz CYWZNINYNMJYKR-UHFFFAOYSA-N 1 0 267.279 2.177 20 10 CECDRO CCOC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000132470429 652522553 /nfs/dbraw/zinc/52/25/53/652522553.db2.gz RITJTYPVGXPLQN-UHFFFAOYSA-N 1 0 265.353 2.402 20 10 CECDRO CCCC[N@H+](CC(N)=O)Cc1cc(Cl)ccc1O ZINC000132863928 652564667 /nfs/dbraw/zinc/56/46/67/652564667.db2.gz UAVWINRIODUMIK-UHFFFAOYSA-N 1 0 270.760 2.133 20 10 CECDRO C[C@@H]([NH2+]CC(=O)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000135108388 652929372 /nfs/dbraw/zinc/92/93/72/652929372.db2.gz DKYYCXQCQRQQOY-CQSZACIVSA-N 1 0 289.423 2.416 20 10 CECDRO C[C@]1([NH3+])CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001204801099 806105235 /nfs/dbraw/zinc/10/52/35/806105235.db2.gz JEGQXGFFLKERSK-LBPRGKRZSA-N 1 0 274.286 2.334 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)S(C)(=O)=O)cc1 ZINC000697589995 806599058 /nfs/dbraw/zinc/59/90/58/806599058.db2.gz RFCAAFJMUOOOSU-ZDUSSCGKSA-N 1 0 298.452 2.056 20 10 CECDRO C[NH+](C)CCC[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000160240256 806862739 /nfs/dbraw/zinc/86/27/39/806862739.db2.gz IRVIVMQINQGTHH-UHFFFAOYSA-N 1 0 256.777 2.429 20 10 CECDRO C[C@@H]1CN(Cc2c(O)cccc2Br)C[C@H](C)[NH2+]1 ZINC000706855309 802843212 /nfs/dbraw/zinc/84/32/12/802843212.db2.gz BXSWPHKTPCJKIY-AOOOYVTPSA-N 1 0 299.212 2.337 20 10 CECDRO CCc1cccc(C[N@H+](C)CCN(C)C(=O)OC)c1O ZINC000690713615 802857385 /nfs/dbraw/zinc/85/73/85/802857385.db2.gz NJHSPFHBQMSOAN-UHFFFAOYSA-N 1 0 280.368 2.085 20 10 CECDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000693857575 803366569 /nfs/dbraw/zinc/36/65/69/803366569.db2.gz VAJGGZVPDLPCLX-ZDUSSCGKSA-N 1 0 266.360 2.494 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)[C@H]1C ZINC001140749231 803513961 /nfs/dbraw/zinc/51/39/61/803513961.db2.gz SFZVWPRSADQXAI-WCQYABFASA-N 1 0 293.363 2.180 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1O ZINC000690799655 803616980 /nfs/dbraw/zinc/61/69/80/803616980.db2.gz RNVXJPSXECBTCK-ZIAGYGMSSA-N 1 0 277.364 2.259 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141031857 803670012 /nfs/dbraw/zinc/67/00/12/803670012.db2.gz MVMXCGOICCCRFQ-SMDDNHRTSA-N 1 0 295.379 2.002 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2(CO)CC2)c1 ZINC000395866970 803703073 /nfs/dbraw/zinc/70/30/73/803703073.db2.gz HLDPHXMHULHVRL-LLVKDONJSA-N 1 0 265.353 2.214 20 10 CECDRO Oc1cc2c(cc1O)C[N@H+](C[C@H]1CCCOC1)CCC2 ZINC001207471869 803721011 /nfs/dbraw/zinc/72/10/11/803721011.db2.gz WIDZXGMKCGHMPO-GFCCVEGCSA-N 1 0 277.364 2.273 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nncn2C)c1 ZINC000037017587 814984487 /nfs/dbraw/zinc/98/44/87/814984487.db2.gz CSQJKVFWYYXPHA-GHMZBOCLSA-N 1 0 260.341 2.241 20 10 CECDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1=O ZINC000722361527 804382167 /nfs/dbraw/zinc/38/21/67/804382167.db2.gz MUQVIBMPDBLDLI-JSGCOSHPSA-N 1 0 276.380 2.362 20 10 CECDRO CON(C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001118426937 815013904 /nfs/dbraw/zinc/01/39/04/815013904.db2.gz FZPRPDQBAXRAFQ-VXGBXAGGSA-N 1 0 264.369 2.332 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2C=C[C@H](CO)C2)cc1F ZINC001118909377 815054189 /nfs/dbraw/zinc/05/41/89/815054189.db2.gz SJJKLDMFFGFARL-CMPLNLGQSA-N 1 0 282.334 2.057 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)C1([NH3+])CCCCC1 ZINC000169104062 807175761 /nfs/dbraw/zinc/17/57/61/807175761.db2.gz JSSJQEZHOVTWRY-UHFFFAOYSA-N 1 0 289.423 2.339 20 10 CECDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(C)c2O)C1 ZINC001231594251 807177722 /nfs/dbraw/zinc/17/77/22/807177722.db2.gz ZSFFONXRNKTDJP-SMDDNHRTSA-N 1 0 277.364 2.332 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)C(F)F)c1 ZINC000698571508 807247552 /nfs/dbraw/zinc/24/75/52/807247552.db2.gz UQCFHWCHGJOEHP-OQPBUACISA-N 1 0 275.295 2.068 20 10 CECDRO Cc1n[nH]c(C[NH2+]Cc2ccc(N(C)C)cc2)c1C ZINC000716494085 815132877 /nfs/dbraw/zinc/13/28/77/815132877.db2.gz QMTNUQQOEMEFBM-UHFFFAOYSA-N 1 0 258.369 2.382 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)c1 ZINC000716697636 815143529 /nfs/dbraw/zinc/14/35/29/815143529.db2.gz GSODKLXGZVHGPX-PRHODGIISA-N 1 0 275.295 2.068 20 10 CECDRO COc1ccc(C[NH2+]CC[C@H](O)C(F)F)cc1C ZINC000716774495 815146640 /nfs/dbraw/zinc/14/66/40/815146640.db2.gz LYOBIEXERIIPIS-NSHDSACASA-N 1 0 259.296 2.109 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](O)C(F)F)c1 ZINC000716775427 815146841 /nfs/dbraw/zinc/14/68/41/815146841.db2.gz VYEJFDXLUJQGQR-JOYOIKCWSA-N 1 0 259.296 2.367 20 10 CECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cccc(OC)c1O ZINC000716915341 815160026 /nfs/dbraw/zinc/16/00/26/815160026.db2.gz KHHHHSAMTOLZBI-ZYHUDNBSSA-N 1 0 253.342 2.040 20 10 CECDRO Oc1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236297928 808056887 /nfs/dbraw/zinc/05/68/87/808056887.db2.gz UELSVFNSGHLVPT-OIBJUYFYSA-N 1 0 273.163 2.103 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC001237492406 808221436 /nfs/dbraw/zinc/22/14/36/808221436.db2.gz OMPCQMKXSKPMSI-ZDUSSCGKSA-N 1 0 277.364 2.476 20 10 CECDRO Cc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)nc1 ZINC001203555629 808696583 /nfs/dbraw/zinc/69/65/83/808696583.db2.gz AWUFHGDCCUBJBI-UHFFFAOYSA-N 1 0 283.375 2.418 20 10 CECDRO CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C[C@@H]1O ZINC000922017126 809011526 /nfs/dbraw/zinc/01/15/26/809011526.db2.gz LOLIRIHJLIELMU-CABCVRRESA-N 1 0 261.365 2.261 20 10 CECDRO C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])C[NH+]1CCCC1 ZINC000700779727 809347909 /nfs/dbraw/zinc/34/79/09/809347909.db2.gz CEBURRCIPWBNDR-LLVKDONJSA-N 1 0 284.350 2.492 20 10 CECDRO Cc1cnc(CN2CCCc3cc(C[NH3+])ccc32)nc1 ZINC000700943198 809374073 /nfs/dbraw/zinc/37/40/73/809374073.db2.gz IWFPMARJNRAKRI-UHFFFAOYSA-N 1 0 268.364 2.197 20 10 CECDRO [O-]c1c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc(F)c1F ZINC000703346875 809642705 /nfs/dbraw/zinc/64/27/05/809642705.db2.gz FQEANLVIZGDLPI-JTQLQIEISA-N 1 0 282.334 2.244 20 10 CECDRO C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC1CC[NH+](C)CC1 ZINC000703491564 809652434 /nfs/dbraw/zinc/65/24/34/809652434.db2.gz QLYWPTHHCJICDP-UHFFFAOYSA-N 1 0 284.350 2.444 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)c1 ZINC000694591018 809762486 /nfs/dbraw/zinc/76/24/86/809762486.db2.gz QLWZERXJCDYRFJ-STQMWFEESA-N 1 0 297.420 2.319 20 10 CECDRO Oc1cccc(F)c1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001137837348 809777670 /nfs/dbraw/zinc/77/76/70/809777670.db2.gz CCCUJHJQSDQLKS-GFCCVEGCSA-N 1 0 264.344 2.201 20 10 CECDRO C[NH+]1CCC2(CC[N@H+](Cc3c([O-])cccc3F)C2)CC1 ZINC001137838648 809808767 /nfs/dbraw/zinc/80/87/67/809808767.db2.gz FTPRUCIBZAYQRA-UHFFFAOYSA-N 1 0 278.371 2.449 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H]2SC)c1O ZINC000706475476 809826177 /nfs/dbraw/zinc/82/61/77/809826177.db2.gz HJUUXGLFDKNTLI-PWSUYJOCSA-N 1 0 253.367 2.384 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1)c1ccccc1O ZINC001172158006 815323961 /nfs/dbraw/zinc/32/39/61/815323961.db2.gz BIDDXRQBMDGASI-UPJWGTAASA-N 1 0 274.364 2.196 20 10 CECDRO CC[C@](C)(CO)[NH2+]Cc1c(O)cccc1Br ZINC000706883143 809863673 /nfs/dbraw/zinc/86/36/73/809863673.db2.gz FJNGLWMCAYFGTF-GFCCVEGCSA-N 1 0 288.185 2.405 20 10 CECDRO C[N@@H+](Cc1cc(F)cc(F)c1[O-])CC1CC[NH+](C)CC1 ZINC000708432896 809931480 /nfs/dbraw/zinc/93/14/80/809931480.db2.gz FYRMTVCDSNGPCX-UHFFFAOYSA-N 1 0 284.350 2.444 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cn(C)cn1 ZINC000709956129 809977510 /nfs/dbraw/zinc/97/75/10/809977510.db2.gz YLJODDSDTZCARJ-GFCCVEGCSA-N 1 0 258.369 2.337 20 10 CECDRO COC[C@@H](CC[NH2+][C@H]1CCc2cccc(O)c21)OC ZINC000710600976 810001650 /nfs/dbraw/zinc/00/16/50/810001650.db2.gz GJDQVOMEHJCDQS-OLZOCXBDSA-N 1 0 265.353 2.021 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCn2cncn2)c(O)c1 ZINC000381677123 810658262 /nfs/dbraw/zinc/65/82/62/810658262.db2.gz IVUCKRVKTQPJHE-GFCCVEGCSA-N 1 0 260.341 2.033 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Br)ccc1O ZINC000378720497 810666694 /nfs/dbraw/zinc/66/66/94/810666694.db2.gz FVGTWFMTADDOAH-HNBZJPLGSA-N 1 0 286.169 2.329 20 10 CECDRO COCC1([NH2+]Cc2cccc(OC)c2O)CCC1 ZINC000378695660 810668238 /nfs/dbraw/zinc/66/82/38/810668238.db2.gz KVYCUEXNVBSIIU-UHFFFAOYSA-N 1 0 251.326 2.060 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCCCO2)c1 ZINC000379236778 810689176 /nfs/dbraw/zinc/68/91/76/810689176.db2.gz SVLLMLCNSMDDAO-ABAIWWIYSA-N 1 0 265.353 2.448 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCCCO2)c1 ZINC000379236779 810689986 /nfs/dbraw/zinc/68/99/86/810689986.db2.gz SVLLMLCNSMDDAO-IAQYHMDHSA-N 1 0 265.353 2.448 20 10 CECDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC001122536359 815422855 /nfs/dbraw/zinc/42/28/55/815422855.db2.gz ZPKJSZCWGCFJFE-HNNXBMFYSA-N 1 0 275.396 2.150 20 10 CECDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3cccc(O)c3C1)C2 ZINC001169153211 811415299 /nfs/dbraw/zinc/41/52/99/811415299.db2.gz HRMJRAJIJFUFBD-QDMKHBRRSA-N 1 0 272.392 2.376 20 10 CECDRO Cc1cc(NC2CC2)nc(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001169993396 811861652 /nfs/dbraw/zinc/86/16/52/811861652.db2.gz NTQZTVSVTBOEEB-UHFFFAOYSA-N 1 0 286.335 2.383 20 10 CECDRO CCc1cccc(C[NH2+]CC2([S@](C)=O)CCC2)c1O ZINC000691465402 811899235 /nfs/dbraw/zinc/89/92/35/811899235.db2.gz LEDRKEHLXBZDGW-IBGZPJMESA-N 1 0 281.421 2.345 20 10 CECDRO COc1ccc(N2CC[NH+]([C@@H]3CCSC3)CC2)cc1 ZINC001255280271 813039862 /nfs/dbraw/zinc/03/98/62/813039862.db2.gz WQWLJVPWXDALQS-CQSZACIVSA-N 1 0 278.421 2.323 20 10 CECDRO CCCN1CC[C@@H]([NH2+]Cc2cccc(OCC)c2O)C1 ZINC000389286679 813249895 /nfs/dbraw/zinc/24/98/95/813249895.db2.gz WFYDRFBDFSAUJM-CQSZACIVSA-N 1 0 278.396 2.365 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)C(C)(C)O)c1O ZINC000393962386 813333923 /nfs/dbraw/zinc/33/39/23/813333923.db2.gz VKHRYVSKOJEFBZ-MRVPVSSYSA-N 1 0 273.760 2.303 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000399192482 813702586 /nfs/dbraw/zinc/70/25/86/813702586.db2.gz QPBJJJGNFGALDJ-MRXNPFEDSA-N 1 0 289.423 2.229 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](F)CC2)c(O)c1 ZINC001144499422 814089975 /nfs/dbraw/zinc/08/99/75/814089975.db2.gz GIQMFALTVLLOOK-SECBINFHSA-N 1 0 255.289 2.127 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCCC(F)(F)CC2)c(O)c1 ZINC001144499160 814090284 /nfs/dbraw/zinc/09/02/84/814090284.db2.gz CRBZZNXSALHTDF-UHFFFAOYSA-N 1 0 273.279 2.425 20 10 CECDRO COc1ccc(C[N@H+](C)Cc2c(O)cc(O)cc2O)cc1 ZINC001144504569 814092330 /nfs/dbraw/zinc/09/23/30/814092330.db2.gz VUEMWQGDXMJMNU-UHFFFAOYSA-N 1 0 289.331 2.444 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2C)c1 ZINC000234974778 814516380 /nfs/dbraw/zinc/51/63/80/814516380.db2.gz DSJQRQIBLJABMN-QJPTWQEYSA-N 1 0 265.353 2.476 20 10 CECDRO CCOc1cccc(C[NH2+]CC2(COC)CC2)c1O ZINC000691805482 814599692 /nfs/dbraw/zinc/59/96/92/814599692.db2.gz FMBNANXWDHKYNJ-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000694388737 814634590 /nfs/dbraw/zinc/63/45/90/814634590.db2.gz SOOOSXGCLMNBBF-NEPJUHHUSA-N 1 0 286.169 2.422 20 10 CECDRO Cc1ccc(C)c(CN2C[C@@H]([NH3+])CC(F)(F)C2)c1O ZINC001206132882 814728013 /nfs/dbraw/zinc/72/80/13/814728013.db2.gz RVAUENXPPGDZHF-NSHDSACASA-N 1 0 270.323 2.177 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])[C@H]1CO ZINC001138122497 815732264 /nfs/dbraw/zinc/73/22/64/815732264.db2.gz JIMPKDLDHMKSRY-MFKMUULPSA-N 1 0 253.317 2.124 20 10 CECDRO COC(=O)CCCC[C@@H](C)[NH2+]Cc1ccc(O)cc1O ZINC001173453779 815735424 /nfs/dbraw/zinc/73/54/24/815735424.db2.gz NKQRSJWBCDVAIU-LLVKDONJSA-N 1 0 281.352 2.309 20 10 CECDRO Cc1c(C[N@H+]2C[C@@H](O)C[C@H]2C)c2ccccc2n1C ZINC001138252602 815755007 /nfs/dbraw/zinc/75/50/07/815755007.db2.gz MZFGCOOPIUWNPI-YPMHNXCESA-N 1 0 258.365 2.442 20 10 CECDRO Cc1c(C[N@@H+](C)CC(=O)N(C)C)c2ccccc2n1C ZINC001138256665 815756925 /nfs/dbraw/zinc/75/69/25/815756925.db2.gz FUNLIVNQVYQXCS-UHFFFAOYSA-N 1 0 273.380 2.007 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CC[C@@H]1O ZINC001138354379 815772850 /nfs/dbraw/zinc/77/28/50/815772850.db2.gz HLQVRYUTXXFCHN-GUYCJALGSA-N 1 0 274.408 2.272 20 10 CECDRO CNc1ncccc1C[N@H+](C)Cc1ccccc1O ZINC001138696520 815872427 /nfs/dbraw/zinc/87/24/27/815872427.db2.gz ROFZZZWJQBZFAP-UHFFFAOYSA-N 1 0 257.337 2.461 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)ccc1N(C)C ZINC001139673416 816076175 /nfs/dbraw/zinc/07/61/75/816076175.db2.gz RPDOMFIDBMYZFK-DZGCQCFKSA-N 1 0 262.397 2.406 20 10 CECDRO O=C1NCCCC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140055400 816179012 /nfs/dbraw/zinc/17/90/12/816179012.db2.gz VSTYZFWGOIHZHC-UHFFFAOYSA-N 1 0 292.354 2.024 20 10 CECDRO COC(=O)C1(C)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140055257 816179459 /nfs/dbraw/zinc/17/94/59/816179459.db2.gz PMJHESLRMMJOBP-UHFFFAOYSA-N 1 0 281.327 2.306 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)CC[C@H]1O ZINC001140058093 816180698 /nfs/dbraw/zinc/18/06/98/816180698.db2.gz SNKPMVFNJVSFGP-GXFFZTMASA-N 1 0 253.317 2.124 20 10 CECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCS1 ZINC001140060244 816181053 /nfs/dbraw/zinc/18/10/53/816181053.db2.gz QSWAJDXJBSLXLN-ZDUSSCGKSA-N 1 0 299.367 2.012 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c1O ZINC001140180154 816205475 /nfs/dbraw/zinc/20/54/75/816205475.db2.gz TXTPONTWCLVTPK-CQSZACIVSA-N 1 0 290.407 2.309 20 10 CECDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140185170 816206748 /nfs/dbraw/zinc/20/67/48/816206748.db2.gz QUTWNGPXFJPPRD-AWEZNQCLSA-N 1 0 276.380 2.062 20 10 CECDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140184956 816207834 /nfs/dbraw/zinc/20/78/34/816207834.db2.gz MGGYBBXQPZETPO-AWEZNQCLSA-N 1 0 276.380 2.110 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140462961 816261039 /nfs/dbraw/zinc/26/10/39/816261039.db2.gz PVXURBVVHGNPSK-SNVBAGLBSA-N 1 0 269.728 2.041 20 10 CECDRO [O-]c1cc(F)cc(F)c1C[N@H+]1CCCC[C@H]1CO ZINC001140579936 816288969 /nfs/dbraw/zinc/28/89/69/816288969.db2.gz NCKYOYLNUIINSK-JTQLQIEISA-N 1 0 257.280 2.017 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@](O)(CF)C2)c1 ZINC001140617508 816304252 /nfs/dbraw/zinc/30/42/52/816304252.db2.gz RVIGENHECUFXKP-HNNXBMFYSA-N 1 0 267.344 2.387 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c1 ZINC001140624101 816307222 /nfs/dbraw/zinc/30/72/22/816307222.db2.gz GGGXMDBMOXHMLL-OAHLLOKOSA-N 1 0 299.374 2.452 20 10 CECDRO Cc1c(O)ccc(C[N@H+](C)Cc2cccnc2)c1O ZINC001140742397 816339088 /nfs/dbraw/zinc/33/90/88/816339088.db2.gz MRQLZKIHAPADPO-UHFFFAOYSA-N 1 0 258.321 2.433 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c1O ZINC001140744473 816340041 /nfs/dbraw/zinc/34/00/41/816340041.db2.gz YNZLMOYFXSASGD-BDJLRTHQSA-N 1 0 279.380 2.389 20 10 CECDRO CC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140747931 816340481 /nfs/dbraw/zinc/34/04/81/816340481.db2.gz OAZZRDCOVVTFGH-ZDUSSCGKSA-N 1 0 263.337 2.350 20 10 CECDRO CC(=O)C1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749245 816343653 /nfs/dbraw/zinc/34/36/53/816343653.db2.gz STXKAXGTDKSZRL-UHFFFAOYSA-N 1 0 263.337 2.207 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(OC)c1 ZINC001141029494 816450780 /nfs/dbraw/zinc/45/07/80/816450780.db2.gz UKTDDKJWRXMIDG-XHDPSFHLSA-N 1 0 293.363 2.020 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]23CCOC3)c(OC)c1 ZINC001141029344 816451206 /nfs/dbraw/zinc/45/12/06/816451206.db2.gz QQPMQEORQPLDRM-INIZCTEOSA-N 1 0 293.363 2.164 20 10 CECDRO c1c(CN2C[C@@H]3C[C@H]2CO3)cc2c3c1CCCN3CCC2 ZINC001141076558 816471633 /nfs/dbraw/zinc/47/16/33/816471633.db2.gz UKPOKXIFFLHFSJ-IRXDYDNUSA-N 1 0 284.403 2.359 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@H]1O ZINC001141139772 816484486 /nfs/dbraw/zinc/48/44/86/816484486.db2.gz BGCFNZOZTNVBRN-CZUORRHYSA-N 1 0 290.407 2.108 20 10 CECDRO Oc1ccc(O)c(CN2CC[NH+](CC3CCCC3)CC2)c1 ZINC001141159160 816490836 /nfs/dbraw/zinc/49/08/36/816490836.db2.gz AVHMUWMDTFOYCQ-UHFFFAOYSA-N 1 0 290.407 2.406 20 10 CECDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141160795 816492437 /nfs/dbraw/zinc/49/24/37/816492437.db2.gz IYFGIVLFKBGYIF-ZDUSSCGKSA-N 1 0 264.369 2.014 20 10 CECDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(F)c(F)cc2O)C1 ZINC001142520985 816678816 /nfs/dbraw/zinc/67/88/16/816678816.db2.gz SLSCXRYQAOBNQD-LLVKDONJSA-N 1 0 270.323 2.196 20 10 CECDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC001143102045 816784970 /nfs/dbraw/zinc/78/49/70/816784970.db2.gz VMPIDAJXESISQR-ZDUSSCGKSA-N 1 0 290.407 2.387 20 10 CECDRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000178710435 539293231 /nfs/dbraw/zinc/29/32/31/539293231.db2.gz DDKPTMYUAYKWHA-CABCVRRESA-N 1 0 287.407 2.030 20 10 CECDRO CN(C)c1ccc(CN2CCC[N@H+](C)CC2)cc1F ZINC000269373471 282289468 /nfs/dbraw/zinc/28/94/68/282289468.db2.gz UUTLXKKDJJKMEW-UHFFFAOYSA-N 1 0 265.376 2.029 20 10 CECDRO COc1cccc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1O ZINC000093455542 344223937 /nfs/dbraw/zinc/22/39/37/344223937.db2.gz FHAHNBNRNVYECZ-INIZCTEOSA-N 1 0 299.370 2.493 20 10 CECDRO c1nc(CC[NH2+]Cc2ccc3c(c2)CCO3)cs1 ZINC000104443694 186003836 /nfs/dbraw/zinc/00/38/36/186003836.db2.gz VPAYHDCSBCEOHG-UHFFFAOYSA-N 1 0 260.362 2.410 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(N(C)C)c(C)c1 ZINC000293625582 283085592 /nfs/dbraw/zinc/08/55/92/283085592.db2.gz WJYNFAFUMZBRJK-UHFFFAOYSA-N 1 0 291.439 2.361 20 10 CECDRO Oc1cc2c(cc1C[NH+]1C[C@H]3CCC[C@@H]3C1)OCO2 ZINC000147936853 366577807 /nfs/dbraw/zinc/57/78/07/366577807.db2.gz VAXNJMZMWCSZGM-GHMZBOCLSA-N 1 0 261.321 2.353 20 10 CECDRO CCCOc1ccc(C[N@H+](C)C[C@@H](C)C(=O)OC)c(O)c1 ZINC000091986722 364072972 /nfs/dbraw/zinc/07/29/72/364072972.db2.gz CZDYBERQQSYJKG-GFCCVEGCSA-N 1 0 295.379 2.422 20 10 CECDRO CCC(CC)(CO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000120514473 365436459 /nfs/dbraw/zinc/43/64/59/365436459.db2.gz KGBFCPVDDQJZNV-UHFFFAOYSA-N 1 0 281.352 2.009 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)[C@@H](C)O)c1O ZINC000169093619 367364339 /nfs/dbraw/zinc/36/43/39/367364339.db2.gz HVVOTTNICVDQKZ-MRVPVSSYSA-N 1 0 273.760 2.303 20 10 CECDRO C[C@H](O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180058579 368366540 /nfs/dbraw/zinc/36/65/40/368366540.db2.gz VYNSAUVVKIUDEC-JTQLQIEISA-N 1 0 253.317 2.124 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000179681207 368346539 /nfs/dbraw/zinc/34/65/39/368346539.db2.gz AZWFSFSQNRXMSH-LLVKDONJSA-N 1 0 253.367 2.338 20 10 CECDRO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccccc1O ZINC000179888250 368356086 /nfs/dbraw/zinc/35/60/86/368356086.db2.gz UQXQFSRBVAZHAM-CHWSQXEVSA-N 1 0 265.353 2.238 20 10 CECDRO CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1=O ZINC000179895969 368357352 /nfs/dbraw/zinc/35/73/52/368357352.db2.gz SEODMLLVZASLGJ-YPMHNXCESA-N 1 0 262.353 2.052 20 10 CECDRO CC[N@H+](Cc1cnn(C)c1)Cc1cc(F)ccc1O ZINC000179978384 368361442 /nfs/dbraw/zinc/36/14/42/368361442.db2.gz HQRWRMSWDCHXFE-UHFFFAOYSA-N 1 0 263.316 2.287 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1O ZINC000180014458 368362859 /nfs/dbraw/zinc/36/28/59/368362859.db2.gz HOBVENBPDNTZPG-CQSZACIVSA-N 1 0 277.364 2.286 20 10 CECDRO Cc1cccc(C[NH2+][C@H](C)C(=O)NCc2ccco2)c1O ZINC000181198130 368431009 /nfs/dbraw/zinc/43/10/09/368431009.db2.gz MQNITEOERYUOMR-GFCCVEGCSA-N 1 0 288.347 2.088 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCC(O)CC2)c(O)c1 ZINC000185116354 368750176 /nfs/dbraw/zinc/75/01/76/368750176.db2.gz JCBNWAPXIVIXRZ-AWEZNQCLSA-N 1 0 292.423 2.198 20 10 CECDRO CCN1CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1=O ZINC000189220080 369478068 /nfs/dbraw/zinc/47/80/68/369478068.db2.gz AMAKKDICFBMFFQ-UHFFFAOYSA-N 1 0 276.380 2.063 20 10 CECDRO COC(=O)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000159227007 261181501 /nfs/dbraw/zinc/18/15/01/261181501.db2.gz GYUSGRGCGZBJAX-UHFFFAOYSA-N 1 0 263.337 2.086 20 10 CECDRO C[N@H+](CCO[C@H]1CCCCO1)Cc1ccccc1O ZINC000193071377 369889039 /nfs/dbraw/zinc/88/90/39/369889039.db2.gz CZNNTZZRGNMYHN-HNNXBMFYSA-N 1 0 265.353 2.367 20 10 CECDRO CCC(CC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1O ZINC000224831742 370283041 /nfs/dbraw/zinc/28/30/41/370283041.db2.gz HMJHOKVHYWZLEJ-HNNXBMFYSA-N 1 0 267.369 2.288 20 10 CECDRO [NH3+][C@H]1CC=C(C(=O)N2C[C@H]3CCCN3c3ccccc32)C1 ZINC000638076617 370283121 /nfs/dbraw/zinc/28/31/21/370283121.db2.gz ZMSDYBHWPOKUBT-UONOGXRCSA-N 1 0 283.375 2.050 20 10 CECDRO CN(C)c1ccc(C[NH2+]C(C)(C)C(C)(C)O)cc1 ZINC000226743378 370350060 /nfs/dbraw/zinc/35/00/60/370350060.db2.gz QXCCFCYWYDCGMS-UHFFFAOYSA-N 1 0 250.386 2.392 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)c1 ZINC000230659198 370461948 /nfs/dbraw/zinc/46/19/48/370461948.db2.gz QRJSPHPXBIVDQR-KWQFWETISA-N 1 0 263.259 2.274 20 10 CECDRO COC[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)OC ZINC000230672149 370463362 /nfs/dbraw/zinc/46/33/62/370463362.db2.gz JXJSSYPIJARHBM-RYUDHWBXSA-N 1 0 253.342 2.013 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(F)ccc1O ZINC000359956885 371494649 /nfs/dbraw/zinc/49/46/49/371494649.db2.gz FZFTVIOIWVGDDL-SKDRFNHKSA-N 1 0 275.327 2.463 20 10 CECDRO CC(C)[N@H+](CCn1cncn1)Cc1ccc(N(C)C)cc1 ZINC000263892677 371952998 /nfs/dbraw/zinc/95/29/98/371952998.db2.gz SXGAVPXPRIUFOG-UHFFFAOYSA-N 1 0 287.411 2.255 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@H]1CCOC3(CCC3)C1)OCO2 ZINC000268983701 372306978 /nfs/dbraw/zinc/30/69/78/372306978.db2.gz SFQFMXYUOJMCAB-LBPRGKRZSA-N 1 0 291.347 2.312 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1O ZINC000269865258 372582756 /nfs/dbraw/zinc/58/27/56/372582756.db2.gz XAEDWTJQQPEQQD-IINYFYTJSA-N 1 0 295.354 2.469 20 10 CECDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000270720325 372919100 /nfs/dbraw/zinc/91/91/00/372919100.db2.gz NZWGISVOJMMDAR-SNVBAGLBSA-N 1 0 254.349 2.141 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)[C@@H](O)C(F)(F)F ZINC000271015704 373067213 /nfs/dbraw/zinc/06/72/13/373067213.db2.gz TVQPGSWEULOLKB-ZYHUDNBSSA-N 1 0 277.286 2.492 20 10 CECDRO O=C1CCCN1CC1CC[NH+](Cc2ccccc2O)CC1 ZINC000367441683 373152907 /nfs/dbraw/zinc/15/29/07/373152907.db2.gz YTJFNJGIFIMKCE-UHFFFAOYSA-N 1 0 288.391 2.227 20 10 CECDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271189916 373171972 /nfs/dbraw/zinc/17/19/72/373171972.db2.gz PHXCAFRXPKTTSQ-JTQLQIEISA-N 1 0 282.771 2.133 20 10 CECDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCOC[C@H](C)C2)c1 ZINC000366774299 373121990 /nfs/dbraw/zinc/12/19/90/373121990.db2.gz QMBPUTAQYWHSLM-VXGBXAGGSA-N 1 0 265.353 2.430 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H](OC)C(C)C)cc1OC ZINC000271826407 373204660 /nfs/dbraw/zinc/20/46/60/373204660.db2.gz NWDXABYHVQLMSC-OAHLLOKOSA-N 1 0 283.368 2.170 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000368809970 373263816 /nfs/dbraw/zinc/26/38/16/373263816.db2.gz LJOHCGPUAWKVGK-GOEBONIOSA-N 1 0 277.364 2.335 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000272261099 373392296 /nfs/dbraw/zinc/39/22/96/373392296.db2.gz ARCLJNKWMYBRKH-HIFRSBDPSA-N 1 0 260.381 2.227 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](COC)OC)cc1 ZINC000272642459 373596460 /nfs/dbraw/zinc/59/64/60/373596460.db2.gz CXSHJFBFPAHGRT-XJKSGUPXSA-N 1 0 280.412 2.455 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CCc2cnccn2)cc1 ZINC000272723222 373630877 /nfs/dbraw/zinc/63/08/77/373630877.db2.gz FTFBLGXXIBUWGL-UHFFFAOYSA-N 1 0 270.380 2.217 20 10 CECDRO OCCCC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000272977938 373739888 /nfs/dbraw/zinc/73/98/88/373739888.db2.gz UEOWPMHAHPTAQK-UHFFFAOYSA-N 1 0 293.363 2.105 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2cc(C)ccc2O)n1 ZINC000273435060 373758238 /nfs/dbraw/zinc/75/82/38/373758238.db2.gz LVZAESWBBXWXJQ-JTQLQIEISA-N 1 0 260.341 2.020 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Cl)ccc1O ZINC000273464220 373759857 /nfs/dbraw/zinc/75/98/57/373759857.db2.gz DIAOWOVZGVCLMI-YMTOWFKASA-N 1 0 295.770 2.163 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c(O)c1C ZINC000273530781 373762208 /nfs/dbraw/zinc/76/22/08/373762208.db2.gz WEKUWDGFIOACTD-XJKSGUPXSA-N 1 0 293.407 2.447 20 10 CECDRO COC[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273561428 373764553 /nfs/dbraw/zinc/76/45/53/373764553.db2.gz IHHXLFPNGYJTGG-ONGXEEELSA-N 1 0 273.760 2.094 20 10 CECDRO CCOc1ccc(O)c(CN2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000371487909 373900528 /nfs/dbraw/zinc/90/05/28/373900528.db2.gz IACQDRYRBXWUMV-CZUORRHYSA-N 1 0 290.407 2.317 20 10 CECDRO C[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000282062691 375399912 /nfs/dbraw/zinc/39/99/12/375399912.db2.gz MSCYQWVEDQHAPV-BBRMVZONSA-N 1 0 289.423 2.147 20 10 CECDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(C)C1=O ZINC000282533526 375510216 /nfs/dbraw/zinc/51/02/16/375510216.db2.gz VIBAEMCZHPYXCG-CQSZACIVSA-N 1 0 276.380 2.225 20 10 CECDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000284206262 375826528 /nfs/dbraw/zinc/82/65/28/375826528.db2.gz SLLXVSRWVLYHJM-GJZGRUSLSA-N 1 0 292.423 2.380 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H](c2nncn2C)C(C)C)c1 ZINC000285580074 375840131 /nfs/dbraw/zinc/84/01/31/375840131.db2.gz TXVKFWDFRXGXEE-AWEZNQCLSA-N 1 0 274.368 2.316 20 10 CECDRO CC(C)[C@H]([NH2+]Cc1ccccc1O)c1nncn1C ZINC000285517408 375840669 /nfs/dbraw/zinc/84/06/69/375840669.db2.gz OAAGFPCYIWSBFV-ZDUSSCGKSA-N 1 0 260.341 2.008 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)CCn2cccn2)c1O ZINC000289186393 376388440 /nfs/dbraw/zinc/38/84/40/376388440.db2.gz BASLMYWVIYMHRM-GFCCVEGCSA-N 1 0 275.352 2.166 20 10 CECDRO COC[C@]1(C)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000294137814 377916876 /nfs/dbraw/zinc/91/68/76/377916876.db2.gz FZXCCNADWAIVTJ-OAHLLOKOSA-N 1 0 265.353 2.259 20 10 CECDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294245679 377954201 /nfs/dbraw/zinc/95/42/01/377954201.db2.gz UHKHUMIKKOROBB-KRWDZBQOSA-N 1 0 289.423 2.019 20 10 CECDRO CCOC(=O)c1cc(C[NH2+]Cc2ccccc2O)[nH]c1C ZINC000294707492 378014625 /nfs/dbraw/zinc/01/46/25/378014625.db2.gz BFWIRZYTQVSQBJ-UHFFFAOYSA-N 1 0 288.347 2.495 20 10 CECDRO CN(Cc1ccccc1O)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000294944717 378031527 /nfs/dbraw/zinc/03/15/27/378031527.db2.gz CXENDGZVRFLVNN-JSGCOSHPSA-N 1 0 276.380 2.258 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCOC2(C)C)c1O ZINC000295151563 378045187 /nfs/dbraw/zinc/04/51/87/378045187.db2.gz DEKXGZCUHGXBAV-ZDUSSCGKSA-N 1 0 281.327 2.391 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c1O ZINC000295206320 378049801 /nfs/dbraw/zinc/04/98/01/378049801.db2.gz KUXLIZFWXNFXBQ-CYBMUJFWSA-N 1 0 279.380 2.384 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCC(O)CC2)c(O)c1 ZINC000296092762 378416140 /nfs/dbraw/zinc/41/61/40/378416140.db2.gz YGWPYZQOKCIMNU-CQSZACIVSA-N 1 0 292.423 2.116 20 10 CECDRO COC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCC1 ZINC000296082381 378411952 /nfs/dbraw/zinc/41/19/52/378411952.db2.gz QQUWEVXJHPCMAH-UHFFFAOYSA-N 1 0 279.336 2.170 20 10 CECDRO C[C@H]([C@H](C)[NH2+][C@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000297766274 299609264 /nfs/dbraw/zinc/60/92/64/299609264.db2.gz OZZGNGZRFFHAOB-GUTXKFCHSA-N 1 0 290.407 2.078 20 10 CECDRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1cc(Cl)ccc1O ZINC000295813796 533393825 /nfs/dbraw/zinc/39/38/25/533393825.db2.gz BGCRITFDLWGYRF-LLVKDONJSA-N 1 0 298.814 2.153 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@](C)(O)c2ccco2)c1 ZINC000266134887 394659908 /nfs/dbraw/zinc/65/99/08/394659908.db2.gz FGHROITZQFPODF-HNNXBMFYSA-N 1 0 261.321 2.291 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1C ZINC000093808729 394669109 /nfs/dbraw/zinc/66/91/09/394669109.db2.gz DGNBEWPHNCPOQP-ZDUSSCGKSA-N 1 0 276.380 2.096 20 10 CECDRO COC[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000271122792 394747327 /nfs/dbraw/zinc/74/73/27/394747327.db2.gz KZQAUZQUMVAZFW-LLVKDONJSA-N 1 0 254.349 2.358 20 10 CECDRO CSC[C@@](C)(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000120647042 394781648 /nfs/dbraw/zinc/78/16/48/394781648.db2.gz HZWHMKUGGSDGCQ-LBPRGKRZSA-N 1 0 275.801 2.249 20 10 CECDRO COCCn1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)cn1 ZINC000281912930 394874563 /nfs/dbraw/zinc/87/45/63/394874563.db2.gz ABSWQYYRIXGYPX-LLVKDONJSA-N 1 0 293.342 2.225 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1O ZINC000362241840 394850656 /nfs/dbraw/zinc/85/06/56/394850656.db2.gz ZKLCOCOLUFBLDF-OAHLLOKOSA-N 1 0 298.390 2.249 20 10 CECDRO COc1cccc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c1O ZINC000282397146 394919380 /nfs/dbraw/zinc/91/93/80/394919380.db2.gz RJHXGEFLWXVUKS-YPMHNXCESA-N 1 0 265.353 2.400 20 10 CECDRO COCC[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000365719213 394933000 /nfs/dbraw/zinc/93/30/00/394933000.db2.gz RZNKMHZXJPXFIX-UHFFFAOYSA-N 1 0 278.396 2.242 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)c1 ZINC000135727813 394967717 /nfs/dbraw/zinc/96/77/17/394967717.db2.gz YUPUEWMBZUFQRZ-WDEREUQCSA-N 1 0 294.395 2.355 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1O ZINC000368133457 394978969 /nfs/dbraw/zinc/97/89/69/394978969.db2.gz URJYARALXSUHDQ-YOEHRIQHSA-N 1 0 285.343 2.285 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000373177297 395056002 /nfs/dbraw/zinc/05/60/02/395056002.db2.gz ORKIJDKAKQBHAQ-GDBMZVCRSA-N 1 0 277.364 2.448 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000373177298 395056144 /nfs/dbraw/zinc/05/61/44/395056144.db2.gz ORKIJDKAKQBHAQ-GOEBONIOSA-N 1 0 277.364 2.448 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC1(C)C ZINC000374255580 395077762 /nfs/dbraw/zinc/07/77/62/395077762.db2.gz KHMVHWOWLVZUNA-OAHLLOKOSA-N 1 0 290.407 2.384 20 10 CECDRO CCn1cnnc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000158384256 395044032 /nfs/dbraw/zinc/04/40/32/395044032.db2.gz WWSWNXTWKBYRTE-GFCCVEGCSA-N 1 0 273.384 2.215 20 10 CECDRO COC(C)(C)C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000174553261 395125310 /nfs/dbraw/zinc/12/53/10/395125310.db2.gz NGGANHQTTBEXQZ-JTQLQIEISA-N 1 0 281.352 2.414 20 10 CECDRO COC[C@@H](CCO)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293653565 395244916 /nfs/dbraw/zinc/24/49/16/395244916.db2.gz ISOPEZIACHNJDO-CHWSQXEVSA-N 1 0 267.369 2.057 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(C)(C)C(N)=O)cc1 ZINC000183201972 395253003 /nfs/dbraw/zinc/25/30/03/395253003.db2.gz MTFNVDVBQNXAJM-LBPRGKRZSA-N 1 0 277.412 2.305 20 10 CECDRO Cc1cc(Cl)cc(CN2CC[NH+](C)CC2)c1O ZINC000183369234 395255436 /nfs/dbraw/zinc/25/54/36/395255436.db2.gz UCVLVKOJXYUWHC-UHFFFAOYSA-N 1 0 254.761 2.101 20 10 CECDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000183379395 395256252 /nfs/dbraw/zinc/25/62/52/395256252.db2.gz GOVINMVGHUJOMD-LBPRGKRZSA-N 1 0 296.798 2.394 20 10 CECDRO COCCOCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035628929 172307960 /nfs/dbraw/zinc/30/79/60/172307960.db2.gz BYHKQRVCMCVLCQ-CYBMUJFWSA-N 1 0 267.369 2.404 20 10 CECDRO C[C@@H]([NH2+]CCN1CCCC1)c1ccc(N(C)C)cc1 ZINC000037228657 173048793 /nfs/dbraw/zinc/04/87/93/173048793.db2.gz NGQUMTYTFRZCAB-CQSZACIVSA-N 1 0 261.413 2.499 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCCOC1 ZINC000038044459 174052306 /nfs/dbraw/zinc/05/23/06/174052306.db2.gz SIJHLOKGYHEZKR-MRXNPFEDSA-N 1 0 290.407 2.039 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000222613488 260227153 /nfs/dbraw/zinc/22/71/53/260227153.db2.gz AKIYLWGJSRBNJG-JOYOIKCWSA-N 1 0 276.302 2.326 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c1O ZINC000093418393 260275821 /nfs/dbraw/zinc/27/58/21/260275821.db2.gz VDUKULACYWXALT-MNOVXSKESA-N 1 0 251.326 2.010 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCOCCOC)cc1 ZINC000153997544 261086400 /nfs/dbraw/zinc/08/64/00/261086400.db2.gz IFMOBMDMRDOYFX-CQSZACIVSA-N 1 0 280.412 2.456 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccccc1O ZINC000156562967 261126428 /nfs/dbraw/zinc/12/64/28/261126428.db2.gz WKDVJAZHISCEDK-AAEUAGOBSA-N 1 0 285.409 2.256 20 10 CECDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cccc(C)c1O ZINC000180401397 261857605 /nfs/dbraw/zinc/85/76/05/261857605.db2.gz XSIYZSLYRQTKSZ-ZDUSSCGKSA-N 1 0 295.404 2.181 20 10 CECDRO CC1(CO)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000184070878 262007334 /nfs/dbraw/zinc/00/73/34/262007334.db2.gz PAKAKXUIDRJDSJ-UHFFFAOYSA-N 1 0 253.317 2.126 20 10 CECDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1cc(Cl)ccc1O ZINC000184837865 262030728 /nfs/dbraw/zinc/03/07/28/262030728.db2.gz DJNCOMLANWYTQF-GFCCVEGCSA-N 1 0 298.814 2.419 20 10 CECDRO CC(=O)NCCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000184921590 262034219 /nfs/dbraw/zinc/03/42/19/262034219.db2.gz XKYQVAHNFQGQME-VIFPVBQESA-N 1 0 270.760 2.222 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2CCC(O)CC2)c1 ZINC000185116025 262042124 /nfs/dbraw/zinc/04/21/24/262042124.db2.gz SLFSAJNAACKOHH-AWEZNQCLSA-N 1 0 292.423 2.198 20 10 CECDRO COCCOCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185136670 262043950 /nfs/dbraw/zinc/04/39/50/262043950.db2.gz BLERMLUSLCZAFE-JTQLQIEISA-N 1 0 273.760 2.359 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(C)OCCO2)c1 ZINC000186211595 262084367 /nfs/dbraw/zinc/08/43/67/262084367.db2.gz VBPGXQUBBNSSSB-LLVKDONJSA-N 1 0 251.326 2.114 20 10 CECDRO COc1cccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000289727584 263111540 /nfs/dbraw/zinc/11/15/40/263111540.db2.gz HPEIWSOYMUHCJM-DZGCQCFKSA-N 1 0 290.407 2.459 20 10 CECDRO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](O)CC1 ZINC000294243256 265015222 /nfs/dbraw/zinc/01/52/22/265015222.db2.gz ZZHZFHNQHCGBPF-SNVBAGLBSA-N 1 0 255.745 2.392 20 10 CECDRO CC[C@@H](c1ccccc1O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000369612422 267254093 /nfs/dbraw/zinc/25/40/93/267254093.db2.gz IAZUKXYYBZTXNP-HIFRSBDPSA-N 1 0 278.396 2.106 20 10 CECDRO CC[C@H](c1ccccc1O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000369612421 267254526 /nfs/dbraw/zinc/25/45/26/267254526.db2.gz IAZUKXYYBZTXNP-DZGCQCFKSA-N 1 0 278.396 2.106 20 10 CECDRO C[C@@H]1COCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000370188057 267296795 /nfs/dbraw/zinc/29/67/95/267296795.db2.gz ZXVBPRURZFFRKF-LBPRGKRZSA-N 1 0 266.360 2.360 20 10 CECDRO COC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)[C@@H]1CCCO1 ZINC000278620806 277263708 /nfs/dbraw/zinc/26/37/08/277263708.db2.gz CFVMYACKCUKUTE-DGFSRKRXSA-N 1 0 283.343 2.376 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@H](O)C(F)F ZINC000294927520 288080551 /nfs/dbraw/zinc/08/05/51/288080551.db2.gz BKGVJIQGWKBTEF-WLTAIBSBSA-N 1 0 289.322 2.456 20 10 CECDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cnn(C)c1 ZINC000297704506 279548599 /nfs/dbraw/zinc/54/85/99/279548599.db2.gz MOAUQPHCPXQASX-GWCFXTLKSA-N 1 0 257.337 2.464 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCSCCCO)c1 ZINC000185378650 327839293 /nfs/dbraw/zinc/83/92/93/327839293.db2.gz ONALHQRZFWREPX-LBPRGKRZSA-N 1 0 269.410 2.467 20 10 CECDRO CC1(C)SC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000282696169 327978075 /nfs/dbraw/zinc/97/80/75/327978075.db2.gz LNUYGGUDWJEMSM-GFCCVEGCSA-N 1 0 267.350 2.105 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)c2ccco2)cc1F ZINC000266127249 328168015 /nfs/dbraw/zinc/16/80/15/328168015.db2.gz BXXYIJGJLBZAHP-INIZCTEOSA-N 1 0 292.354 2.482 20 10 CECDRO Cc1cc(Cl)cc(CN2CCC[N@@H+](C)CC2)c1O ZINC000271862348 328198337 /nfs/dbraw/zinc/19/83/37/328198337.db2.gz ZBXUQLXSGUAYGC-UHFFFAOYSA-N 1 0 268.788 2.492 20 10 CECDRO CC[C@H]([NH2+][C@@H](CO)CCOC)c1ccc(N(C)C)cc1 ZINC000281616304 328240515 /nfs/dbraw/zinc/24/05/15/328240515.db2.gz NHVGZGCTHAPXMN-ZBFHGGJFSA-N 1 0 280.412 2.191 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000377709399 329026437 /nfs/dbraw/zinc/02/64/37/329026437.db2.gz YVMQGJYUPPSPBE-GOEBONIOSA-N 1 0 277.364 2.080 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)cc1 ZINC000377771551 329028812 /nfs/dbraw/zinc/02/88/12/329028812.db2.gz OISQKKNDNJDKGI-UHFFFAOYSA-N 1 0 296.414 2.372 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCCC[C@H](CO)C2)c1O ZINC000378346499 329046943 /nfs/dbraw/zinc/04/69/43/329046943.db2.gz FONMEHZLBLGIRA-ZDUSSCGKSA-N 1 0 279.380 2.385 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CCOCC1 ZINC000226615594 329262356 /nfs/dbraw/zinc/26/23/56/329262356.db2.gz FXXINJUKUCDPCL-SNVBAGLBSA-N 1 0 253.317 2.436 20 10 CECDRO O=C1Nc2ccccc2C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000527799109 330284016 /nfs/dbraw/zinc/28/40/16/330284016.db2.gz JWVCIJCMOSLILW-MRXNPFEDSA-N 1 0 294.354 2.275 20 10 CECDRO CC1(C)C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000160631432 330870429 /nfs/dbraw/zinc/87/04/29/330870429.db2.gz MXLPMGCHOJBWRZ-NSHDSACASA-N 1 0 279.336 2.168 20 10 CECDRO CCOc1cccc(C[NH2+]CCN(CC)C2CC2)c1O ZINC000227550956 333285621 /nfs/dbraw/zinc/28/56/21/333285621.db2.gz AFYDFVLCPFZNAT-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO c1cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc2c1OCC2 ZINC000230313465 333316481 /nfs/dbraw/zinc/31/64/81/333316481.db2.gz VFKUUJGRPVGDTJ-GOEBONIOSA-N 1 0 259.349 2.279 20 10 CECDRO COc1cccc(C[NH2+]CCCn2nc(C)cc2C)c1O ZINC000134225443 334084701 /nfs/dbraw/zinc/08/47/01/334084701.db2.gz YXJVECPLUDQYAH-UHFFFAOYSA-N 1 0 289.379 2.394 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000134227649 334084971 /nfs/dbraw/zinc/08/49/71/334084971.db2.gz FJQLWOMGRIGMQI-AWEZNQCLSA-N 1 0 291.322 2.061 20 10 CECDRO CC[C@H]([NH2+]CCC(=O)NC(C)C)c1ccccc1O ZINC000135734304 334137390 /nfs/dbraw/zinc/13/73/90/334137390.db2.gz ZKSMMQNWCGWBFX-ZDUSSCGKSA-N 1 0 264.369 2.348 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)CCO)c1O ZINC000228675559 522540551 /nfs/dbraw/zinc/54/05/51/522540551.db2.gz IMQARSXMWUBAST-VIFPVBQESA-N 1 0 273.760 2.162 20 10 CECDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000278740501 519717512 /nfs/dbraw/zinc/71/75/12/519717512.db2.gz VLKMWIYUPZTMHV-UHFFFAOYSA-N 1 0 298.390 2.396 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](C)CO)cc1 ZINC000088195051 520906667 /nfs/dbraw/zinc/90/66/67/520906667.db2.gz QXQNUCZEYNLTPK-ZDUSSCGKSA-N 1 0 250.386 2.251 20 10 CECDRO CCOc1cccc(C[NH+]2CCSCC2)c1O ZINC000126191546 521341716 /nfs/dbraw/zinc/34/17/16/521341716.db2.gz UDXQUGBALWUESS-UHFFFAOYSA-N 1 0 253.367 2.340 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CO)CC2CCC2)c1O ZINC000279661600 521371813 /nfs/dbraw/zinc/37/18/13/521371813.db2.gz GLJMXELWFSXUOU-CQSZACIVSA-N 1 0 279.380 2.432 20 10 CECDRO CCOC(C)(C)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000188865390 521626372 /nfs/dbraw/zinc/62/63/72/521626372.db2.gz WISDJFOPBROEKN-UHFFFAOYSA-N 1 0 283.368 2.314 20 10 CECDRO COCCn1cc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cn1 ZINC000282433438 522095048 /nfs/dbraw/zinc/09/50/48/522095048.db2.gz DJUWIRRRZNOLBA-ZDUSSCGKSA-N 1 0 289.379 2.394 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000189948402 522212194 /nfs/dbraw/zinc/21/21/94/522212194.db2.gz UXEKRKWETWBVGB-HOCLYGCPSA-N 1 0 262.397 2.393 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(C)cc1O ZINC000280260121 522866059 /nfs/dbraw/zinc/86/60/59/522866059.db2.gz XDISGEQJXYBMPD-TZMCWYRMSA-N 1 0 297.420 2.176 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@@H](COC)C1 ZINC000366696210 523106303 /nfs/dbraw/zinc/10/63/03/523106303.db2.gz YJXGHVMRJBNQOZ-OCCSQVGLSA-N 1 0 265.353 2.191 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000132013578 523455199 /nfs/dbraw/zinc/45/51/99/523455199.db2.gz BHLFPSZYPBMUPX-GFCCVEGCSA-N 1 0 251.326 2.012 20 10 CECDRO COCC[NH+](CCOC)Cc1cc(C)c(C)cc1O ZINC000083104523 523719597 /nfs/dbraw/zinc/71/95/97/523719597.db2.gz UWUQPMWVGZAXNX-UHFFFAOYSA-N 1 0 267.369 2.104 20 10 CECDRO COc1ccc(N2CC[NH+](CCOC(C)C)CC2)cc1F ZINC000084866654 524427292 /nfs/dbraw/zinc/42/72/92/524427292.db2.gz UGKHCMUOSBFBQJ-UHFFFAOYSA-N 1 0 296.386 2.381 20 10 CECDRO COc1ccc(O)c(C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000037140802 524748547 /nfs/dbraw/zinc/74/85/47/524748547.db2.gz SORWBPUFHHEPHB-UHFFFAOYSA-N 1 0 276.380 2.117 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC[C@@H](C)O)c1 ZINC000228044688 524769459 /nfs/dbraw/zinc/76/94/59/524769459.db2.gz WMACOPKNVDSJBC-MNOVXSKESA-N 1 0 253.342 2.212 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cn[nH]c2)c1 ZINC000289701024 524769889 /nfs/dbraw/zinc/76/98/89/524769889.db2.gz IPLAKRFRJVFLFU-JTQLQIEISA-N 1 0 261.325 2.017 20 10 CECDRO Cc1cc(Cl)cc(CN(C)CC[NH+](C)C)c1O ZINC000289654832 524862658 /nfs/dbraw/zinc/86/26/58/524862658.db2.gz CMMBJFYNZZTENS-UHFFFAOYSA-N 1 0 256.777 2.347 20 10 CECDRO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(F)ccc1O ZINC000094616809 525311735 /nfs/dbraw/zinc/31/17/35/525311735.db2.gz BADDUXIZSVINCI-LBPRGKRZSA-N 1 0 296.386 2.293 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@](F)(CO)C2)cc1C ZINC000289789019 525316384 /nfs/dbraw/zinc/31/63/84/525316384.db2.gz LSYKNIFTTKLQDQ-OAHLLOKOSA-N 1 0 267.344 2.305 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc1C ZINC000280390753 525319508 /nfs/dbraw/zinc/31/95/08/525319508.db2.gz WWBAUHFHDZTODN-YOEHRIQHSA-N 1 0 291.391 2.389 20 10 CECDRO CS[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1N(C)C ZINC000278845750 525915474 /nfs/dbraw/zinc/91/54/74/525915474.db2.gz LLZZHWHZXDTINE-HOTGVXAUSA-N 1 0 293.480 2.230 20 10 CECDRO COc1cccc(C[NH2+]CCc2cccnc2)c1O ZINC000037717731 526016487 /nfs/dbraw/zinc/01/64/87/526016487.db2.gz ZUEPWMROTAVGJO-UHFFFAOYSA-N 1 0 258.321 2.128 20 10 CECDRO Cc1cc(C(=O)NCCC[NH3+])c(C)n1-c1cccc(C)c1 ZINC000237730561 526266368 /nfs/dbraw/zinc/26/63/68/526266368.db2.gz CHCCAUKTFRFOOE-UHFFFAOYSA-N 1 0 285.391 2.481 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000290270830 526350973 /nfs/dbraw/zinc/35/09/73/526350973.db2.gz XVULRCQUPRLMSQ-CJNGLKHVSA-N 1 0 289.306 2.116 20 10 CECDRO Oc1cccc(Cl)c1C[NH+]1CCC2(CC1)OCCO2 ZINC000126111355 526364101 /nfs/dbraw/zinc/36/41/01/526364101.db2.gz XMKJCFDQDXEUSV-UHFFFAOYSA-N 1 0 283.755 2.385 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000290406016 526371766 /nfs/dbraw/zinc/37/17/66/526371766.db2.gz JTNPKICDXSBXTM-UHFFFAOYSA-N 1 0 270.323 2.165 20 10 CECDRO c1cncc(CC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000037718243 526545829 /nfs/dbraw/zinc/54/58/29/526545829.db2.gz ITMQFJDUFVOYOW-UHFFFAOYSA-N 1 0 254.333 2.349 20 10 CECDRO Cc1nc(CC[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)no1 ZINC000292748535 526812081 /nfs/dbraw/zinc/81/20/81/526812081.db2.gz HYBMAZRBNKYRMC-UHFFFAOYSA-N 1 0 288.395 2.427 20 10 CECDRO Nc1ccc(CCNC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000262667234 527163861 /nfs/dbraw/zinc/16/38/61/527163861.db2.gz NWRNOBMEBRUYAV-UHFFFAOYSA-N 1 0 289.423 2.227 20 10 CECDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccccc1O ZINC000748242537 574437923 /nfs/dbraw/zinc/43/79/23/574437923.db2.gz OVFQIUDMZWFTGI-CQSZACIVSA-N 1 0 251.326 2.214 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000729512191 574488977 /nfs/dbraw/zinc/48/89/77/574488977.db2.gz CSZSAJCCRPSQGU-HNNXBMFYSA-N 1 0 289.423 2.053 20 10 CECDRO O=C(C[N@@H+](Cc1ccccc1O)C1CCCC1)N1CCC1 ZINC000731848155 574603746 /nfs/dbraw/zinc/60/37/46/574603746.db2.gz VKIGVTVGHJKMCD-UHFFFAOYSA-N 1 0 288.391 2.369 20 10 CECDRO CC(C)[NH+](CCNC(=O)C1=CC(=O)CS1)C(C)C ZINC000731864482 574604280 /nfs/dbraw/zinc/60/42/80/574604280.db2.gz XSSGDYGVHGNKFJ-UHFFFAOYSA-N 1 0 270.398 2.302 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@](C)(O)CC)c(O)c1 ZINC000732229201 574615191 /nfs/dbraw/zinc/61/51/91/574615191.db2.gz HSOBZVPNHHDUFM-AWEZNQCLSA-N 1 0 253.342 2.042 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H](OC)C(F)(F)F)c(O)c1 ZINC000733329946 574664980 /nfs/dbraw/zinc/66/49/80/574664980.db2.gz MEDUWXRUXGRJGE-LBPRGKRZSA-N 1 0 293.285 2.458 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)CCCC[NH+](C)C ZINC000734557202 574720123 /nfs/dbraw/zinc/72/01/23/574720123.db2.gz BUOOPKJEMLRURS-UHFFFAOYSA-N 1 0 291.439 2.409 20 10 CECDRO CC[NH+](CC)[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000743784788 575109477 /nfs/dbraw/zinc/10/94/77/575109477.db2.gz MDFGJWDNFNFBSK-JTQLQIEISA-N 1 0 268.382 2.010 20 10 CECDRO CC(C)[NH2+]CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000746313987 575154271 /nfs/dbraw/zinc/15/42/71/575154271.db2.gz DQZKQRBQPNJWDK-UHFFFAOYSA-N 1 0 289.423 2.291 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[NH+](C)C ZINC000750192715 575253691 /nfs/dbraw/zinc/25/36/91/575253691.db2.gz SXFAUKBDVMULEI-ZDUSSCGKSA-N 1 0 277.412 2.051 20 10 CECDRO COC(=O)CC[N@H+](Cc1cc(OC)c(C)cc1O)C(C)C ZINC000160192814 622553997 /nfs/dbraw/zinc/55/39/97/622553997.db2.gz HKNVNJSJYDTWGT-UHFFFAOYSA-N 1 0 295.379 2.483 20 10 CECDRO C[NH2+]C[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000040592979 623173537 /nfs/dbraw/zinc/17/35/37/623173537.db2.gz XXKVRSMLPSZEDG-NSHDSACASA-N 1 0 268.788 2.477 20 10 CECDRO C[C@H]1C[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247411 623322599 /nfs/dbraw/zinc/32/25/99/623322599.db2.gz HBCSCXWJNPQPPY-VBNZEHGJSA-N 1 0 289.423 2.128 20 10 CECDRO CC[C@H](COC)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846147493 623354547 /nfs/dbraw/zinc/35/45/47/623354547.db2.gz VUZDTHZVUJAPIQ-WDEREUQCSA-N 1 0 253.342 2.476 20 10 CECDRO COc1ccc(C[N@H+](C)C[C@H]2CCCO2)c(O)c1OC ZINC000891581026 623805066 /nfs/dbraw/zinc/80/50/66/623805066.db2.gz FVVSXHIVHJWBQH-GFCCVEGCSA-N 1 0 281.352 2.020 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@H]2C2OCCO2)ccc1N(C)C ZINC000933899660 624076119 /nfs/dbraw/zinc/07/61/19/624076119.db2.gz FLRXOURFKLAHHF-INIZCTEOSA-N 1 0 290.407 2.398 20 10 CECDRO C[C@@H](NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000891981518 624226245 /nfs/dbraw/zinc/22/62/45/624226245.db2.gz LNIDZYWCTMKIFJ-JHJVBQTASA-N 1 0 291.395 2.141 20 10 CECDRO COc1ccc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)c(O)c1OC ZINC000892068845 624292036 /nfs/dbraw/zinc/29/20/36/624292036.db2.gz UTPVJMMOSMFHEY-NSHDSACASA-N 1 0 295.379 2.409 20 10 CECDRO CN1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000049084902 624523273 /nfs/dbraw/zinc/52/32/73/624523273.db2.gz UFMGUNMPPBJWLH-HNNXBMFYSA-N 1 0 259.397 2.081 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H]2CCCOC2)c(O)c1 ZINC000725847151 625775969 /nfs/dbraw/zinc/77/59/69/625775969.db2.gz DHLPNJHBPUCEOP-GFCCVEGCSA-N 1 0 265.353 2.307 20 10 CECDRO CON(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000850479807 627286965 /nfs/dbraw/zinc/28/69/65/627286965.db2.gz ZSLVYJLBQLQAQD-VIFPVBQESA-N 1 0 258.749 2.189 20 10 CECDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000304061108 627394689 /nfs/dbraw/zinc/39/46/89/627394689.db2.gz PCMZTCKWRQHAAB-HNNXBMFYSA-N 1 0 250.386 2.249 20 10 CECDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000840888223 627626008 /nfs/dbraw/zinc/62/60/08/627626008.db2.gz DCGNZAPWZAJIDG-LBPRGKRZSA-N 1 0 285.409 2.176 20 10 CECDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CN3CCC2CC3)c1 ZINC000311457459 627666764 /nfs/dbraw/zinc/66/67/64/627666764.db2.gz UVJMOZKHNLFYBZ-OAHLLOKOSA-N 1 0 260.381 2.227 20 10 CECDRO C[C@H](CC[NH2+][C@@H](C)c1cc(F)ccc1O)[S@](C)=O ZINC000168848160 627687762 /nfs/dbraw/zinc/68/77/62/627687762.db2.gz OPWIJMGPPRFUTA-AUSHCKSDSA-N 1 0 273.373 2.339 20 10 CECDRO Oc1ccccc1C[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892790535 627775625 /nfs/dbraw/zinc/77/56/25/627775625.db2.gz DSTNVBURLKUAAC-STQMWFEESA-N 1 0 281.327 2.116 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C(C)C ZINC000892966126 627905816 /nfs/dbraw/zinc/90/58/16/627905816.db2.gz QWDBLFWMIQYFSE-GFCCVEGCSA-N 1 0 283.368 2.170 20 10 CECDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000725895341 628238703 /nfs/dbraw/zinc/23/87/03/628238703.db2.gz FEFWLYJBBRAZDM-UHFFFAOYSA-N 1 0 284.359 2.384 20 10 CECDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840910042 628375983 /nfs/dbraw/zinc/37/59/83/628375983.db2.gz DOMGKQDOLHJHOG-ZDUSSCGKSA-N 1 0 278.396 2.302 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000840917320 628490564 /nfs/dbraw/zinc/49/05/64/628490564.db2.gz RNGPTIMDUXLOCB-AWEZNQCLSA-N 1 0 289.423 2.148 20 10 CECDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000311444522 628534697 /nfs/dbraw/zinc/53/46/97/628534697.db2.gz QIXMXZALJRGYAK-LLVKDONJSA-N 1 0 264.373 2.119 20 10 CECDRO COC1(CO)CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840940940 628775717 /nfs/dbraw/zinc/77/57/17/628775717.db2.gz ODFPOVHTKAPYER-UHFFFAOYSA-N 1 0 292.423 2.034 20 10 CECDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840941953 628784224 /nfs/dbraw/zinc/78/42/24/628784224.db2.gz HXAYIIOHWWEWKG-OAHLLOKOSA-N 1 0 296.798 2.312 20 10 CECDRO COc1ccc(N(C)CC[C@H]2CC[NH2+]C2)cc1OC ZINC000259024686 628788678 /nfs/dbraw/zinc/78/86/78/628788678.db2.gz OGLBLGMFEHSRIO-GFCCVEGCSA-N 1 0 264.369 2.140 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)[C@@H]1C ZINC000840942213 628790300 /nfs/dbraw/zinc/79/03/00/628790300.db2.gz VPAOFGRSNZJORA-CJNGLKHVSA-N 1 0 290.407 2.444 20 10 CECDRO C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000925798337 628844877 /nfs/dbraw/zinc/84/48/77/628844877.db2.gz QTGPIUGAALDCSK-GRYCIOLGSA-N 1 0 293.367 2.197 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000840950943 628849551 /nfs/dbraw/zinc/84/95/51/628849551.db2.gz ULUJZNPZBBTFDM-NVXWUHKLSA-N 1 0 273.424 2.197 20 10 CECDRO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(F)ccc1O ZINC000094617144 628868111 /nfs/dbraw/zinc/86/81/11/628868111.db2.gz ANNKEKXXCVJGBT-SNVBAGLBSA-N 1 0 288.322 2.481 20 10 CECDRO C[N@H+](CCC[NH3+])Cc1cc(Cl)cc(Cl)c1[O-] ZINC000227744781 628918902 /nfs/dbraw/zinc/91/89/02/628918902.db2.gz NGZQORGFQQHRPT-UHFFFAOYSA-N 1 0 263.168 2.480 20 10 CECDRO CNC(=O)C1([NH2+]Cc2ccc3c(c2)CCCO3)CCCC1 ZINC000893696476 628929806 /nfs/dbraw/zinc/92/98/06/628929806.db2.gz KEBONFLARICCNA-UHFFFAOYSA-N 1 0 288.391 2.160 20 10 CECDRO CC[C@]1(C)C[N@H+](Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000893908255 629048497 /nfs/dbraw/zinc/04/84/97/629048497.db2.gz UTQCXDRCISUILM-MRXNPFEDSA-N 1 0 295.379 2.410 20 10 CECDRO COc1ccc(C[N@H+]2[C@H](C)C[C@@H]2C)c(O)c1OC ZINC000894138859 629162157 /nfs/dbraw/zinc/16/21/57/629162157.db2.gz HULSCBQEHUSQOW-AOOOYVTPSA-N 1 0 251.326 2.392 20 10 CECDRO COc1ccc(C[NH2+]Cc2c(Cl)c(C)nn2C)c(O)c1 ZINC000894185461 629197384 /nfs/dbraw/zinc/19/73/84/629197384.db2.gz OJFYBLABOMHEGK-UHFFFAOYSA-N 1 0 295.770 2.386 20 10 CECDRO CCN(CC[NH2+]Cc1cc(C)cc(OC)c1O)C1CC1 ZINC000894214433 629231373 /nfs/dbraw/zinc/23/13/73/629231373.db2.gz XXFYOTLVLYAACP-UHFFFAOYSA-N 1 0 278.396 2.283 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@](C)(O)C(C)C)c1O ZINC000894266291 629282247 /nfs/dbraw/zinc/28/22/47/629282247.db2.gz LEIHNYVPSPGLSR-OAHLLOKOSA-N 1 0 267.369 2.206 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c1O ZINC000894340511 629370136 /nfs/dbraw/zinc/37/01/36/629370136.db2.gz OZMVJLXNXNFGLH-JSGCOSHPSA-N 1 0 290.407 2.424 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCC[C@H](C)CO)c1O ZINC000894368720 629398502 /nfs/dbraw/zinc/39/85/02/629398502.db2.gz SJLUFMXLULDZGK-NSHDSACASA-N 1 0 267.369 2.207 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)[C@H]1OC ZINC000894501829 629502054 /nfs/dbraw/zinc/50/20/54/629502054.db2.gz HWTZHRWBDJEIMG-YEHMFOAPSA-N 1 0 295.379 2.244 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCOC[C@H]2C)c1O ZINC000894564648 629535412 /nfs/dbraw/zinc/53/54/12/629535412.db2.gz BEDGESSEKGHQSA-YPMHNXCESA-N 1 0 265.353 2.224 20 10 CECDRO COc1ccc(C[NH2+]Cc2cnccc2C)c(O)c1OC ZINC000894729765 629609986 /nfs/dbraw/zinc/60/99/86/629609986.db2.gz SQVIIBHDBSTIHX-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1O ZINC000894749793 629621087 /nfs/dbraw/zinc/62/10/87/629621087.db2.gz KSYHIDOOIWRDDC-OLZOCXBDSA-N 1 0 279.380 2.471 20 10 CECDRO CNC(=O)C[C@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000795606833 629630366 /nfs/dbraw/zinc/63/03/66/629630366.db2.gz TUAWPQQWXKANKQ-HNNXBMFYSA-N 1 0 284.359 2.359 20 10 CECDRO COC(=O)[C@@H](C[NH2+]Cc1cc(OC)ccc1O)CC(C)C ZINC000894791150 629637233 /nfs/dbraw/zinc/63/72/33/629637233.db2.gz PEBAPMUODATNGF-CYBMUJFWSA-N 1 0 295.379 2.326 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c(O)c1OC ZINC000894817472 629655775 /nfs/dbraw/zinc/65/57/75/629655775.db2.gz QUTWODGHTLYCHW-ZYHUDNBSSA-N 1 0 281.352 2.067 20 10 CECDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894881361 629715140 /nfs/dbraw/zinc/71/51/40/629715140.db2.gz OPJQKFYAMPCUFL-TZMCWYRMSA-N 1 0 279.380 2.302 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c(O)c1OC ZINC000894909239 629750413 /nfs/dbraw/zinc/75/04/13/629750413.db2.gz COLFSYFEVYAPOW-LOWVWBTDSA-N 1 0 295.379 2.313 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H]2CC[C@H](C)O2)c1O ZINC000894970183 629773377 /nfs/dbraw/zinc/77/33/77/629773377.db2.gz SRWXVRNMKZFRGN-WCQYABFASA-N 1 0 265.353 2.366 20 10 CECDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895111608 629910827 /nfs/dbraw/zinc/91/08/27/629910827.db2.gz GUCJLZQJLMQMNN-WCQYABFASA-N 1 0 297.395 2.296 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCS[C@@H]2C)c(O)c1OC ZINC000895126119 629929407 /nfs/dbraw/zinc/92/94/07/629929407.db2.gz SHIUKNHIKIFECM-KOLCDFICSA-N 1 0 283.393 2.393 20 10 CECDRO OCC1(C[NH2+]Cc2cc(F)ccc2O)CCCC1 ZINC000186528137 629938129 /nfs/dbraw/zinc/93/81/29/629938129.db2.gz KAWVZYSSOYAFTK-UHFFFAOYSA-N 1 0 253.317 2.174 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000796771971 629997811 /nfs/dbraw/zinc/99/78/11/629997811.db2.gz NNYJHVSPMHEMDK-GFCCVEGCSA-N 1 0 286.379 2.407 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2COC(C)(C)C2)c(O)c1OC ZINC000895306441 630092795 /nfs/dbraw/zinc/09/27/95/630092795.db2.gz JZMUFWDBDWBVIU-NSHDSACASA-N 1 0 281.352 2.067 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(C)=NO2)c1O ZINC000895302856 630094979 /nfs/dbraw/zinc/09/49/79/630094979.db2.gz CGIIDBLVAFMRHT-NSHDSACASA-N 1 0 284.743 2.309 20 10 CECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895463764 630205548 /nfs/dbraw/zinc/20/55/48/630205548.db2.gz CSEBLSVMWYKGSP-DGCLKSJQSA-N 1 0 267.369 2.348 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000895571600 630253073 /nfs/dbraw/zinc/25/30/73/630253073.db2.gz JMQZPSXRVOYTHZ-HNNXBMFYSA-N 1 0 287.359 2.363 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000895677196 630297160 /nfs/dbraw/zinc/29/71/60/630297160.db2.gz HVTQTFDEGKLLQE-JTQLQIEISA-N 1 0 299.239 2.349 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000895780167 630349072 /nfs/dbraw/zinc/34/90/72/630349072.db2.gz DJTNBTSRMDRKJK-UPILFSCHSA-N 1 0 286.419 2.469 20 10 CECDRO COCC1C[NH+](Cc2cc(Br)ccc2O)C1 ZINC000895972045 630424187 /nfs/dbraw/zinc/42/41/87/630424187.db2.gz QZAFORGFBPHWLI-UHFFFAOYSA-N 1 0 286.169 2.233 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000896125403 630474093 /nfs/dbraw/zinc/47/40/93/630474093.db2.gz PJSKUCGHJHIFAU-ZJUUUORDSA-N 1 0 283.755 2.477 20 10 CECDRO COC(=O)C[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@H]1C ZINC000896469108 630569077 /nfs/dbraw/zinc/56/90/77/630569077.db2.gz VRKYLMHXVQACAG-CHWSQXEVSA-N 1 0 277.364 2.332 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](CC)CN2CCOCC2)c1O ZINC000896616562 630612887 /nfs/dbraw/zinc/61/28/87/630612887.db2.gz FUIHFIBEIZHLQZ-INIZCTEOSA-N 1 0 292.423 2.155 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC000896668144 630629278 /nfs/dbraw/zinc/62/92/78/630629278.db2.gz BQMXSNFDOFKUKG-MRXNPFEDSA-N 1 0 279.380 2.374 20 10 CECDRO Cc1cc(CC[NH2+]Cc2c(C)cccc2O)nn1C ZINC000896818800 630679275 /nfs/dbraw/zinc/67/92/75/630679275.db2.gz IJJBJYXIAKHHFW-UHFFFAOYSA-N 1 0 259.353 2.075 20 10 CECDRO Cc1cccc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c1O ZINC000897022940 630888170 /nfs/dbraw/zinc/88/81/70/630888170.db2.gz KSDZXTVCUPGUMI-AWEZNQCLSA-N 1 0 290.363 2.021 20 10 CECDRO Cc1cccc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c1O ZINC000897022941 630888403 /nfs/dbraw/zinc/88/84/03/630888403.db2.gz KSDZXTVCUPGUMI-CQSZACIVSA-N 1 0 290.363 2.021 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CC)[C@@H](C)O)c(O)c1 ZINC000824921747 635525854 /nfs/dbraw/zinc/52/58/54/635525854.db2.gz PQVHBLCLROEXSJ-ZWNOBZJWSA-N 1 0 253.342 2.040 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2C(=O)NCC2(CC)CC)c1O ZINC000897343427 631147834 /nfs/dbraw/zinc/14/78/34/631147834.db2.gz RWIXSRHDLDXCPG-OAHLLOKOSA-N 1 0 290.407 2.349 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2C(=O)NCC2(CC)CC)c1O ZINC000897343426 631148056 /nfs/dbraw/zinc/14/80/56/631148056.db2.gz RWIXSRHDLDXCPG-HNNXBMFYSA-N 1 0 290.407 2.349 20 10 CECDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cccc(C)c1O ZINC000897345738 631150802 /nfs/dbraw/zinc/15/08/02/631150802.db2.gz NTEVILIMRPHJIG-AWEZNQCLSA-N 1 0 276.380 2.095 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000897814900 631912451 /nfs/dbraw/zinc/91/24/51/631912451.db2.gz MYTJVJWKOAWYTE-MSHNEEPSSA-N 1 0 275.348 2.227 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CC23CC(O)C3)cc1Cl ZINC000897840908 631938834 /nfs/dbraw/zinc/93/88/34/631938834.db2.gz IMZCJLQIWKLFIM-AWAWDMARSA-N 1 0 267.756 2.357 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H](CO)C(C)C)c(O)c1 ZINC000808421872 631960776 /nfs/dbraw/zinc/96/07/76/631960776.db2.gz SLADNIZAGGXPSN-CYBMUJFWSA-N 1 0 267.369 2.145 20 10 CECDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000808421663 631960799 /nfs/dbraw/zinc/96/07/99/631960799.db2.gz OZQDQJVVPDMADY-ZDUSSCGKSA-N 1 0 268.376 2.246 20 10 CECDRO N[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000841036851 631981106 /nfs/dbraw/zinc/98/11/06/631981106.db2.gz NLAHDSUWSRRKAW-INIZCTEOSA-N 1 0 268.360 2.411 20 10 CECDRO C[C@H](Cc1cccnc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000897969424 631995335 /nfs/dbraw/zinc/99/53/35/631995335.db2.gz JFAVGJBXDOEPFF-LLVKDONJSA-N 1 0 286.331 2.237 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1O ZINC000808689169 632000823 /nfs/dbraw/zinc/00/08/23/632000823.db2.gz ZLTFJSLXCLUFBV-GXSJLCMTSA-N 1 0 282.771 2.235 20 10 CECDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808695274 632002146 /nfs/dbraw/zinc/00/21/46/632002146.db2.gz KHFCEKWXMUNOJD-YGRLFVJLSA-N 1 0 287.787 2.402 20 10 CECDRO COC[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808697835 632002575 /nfs/dbraw/zinc/00/25/75/632002575.db2.gz WTCKVEBFYYLOHK-JQWIXIFHSA-N 1 0 287.787 2.402 20 10 CECDRO COC[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808717010 632005472 /nfs/dbraw/zinc/00/54/72/632005472.db2.gz BRDCSOWUGIKDBH-KOLCDFICSA-N 1 0 273.760 2.012 20 10 CECDRO CCOc1cccc(C[NH2+]CC[C@@H](O)C2CC2)c1O ZINC000898206065 632087045 /nfs/dbraw/zinc/08/70/45/632087045.db2.gz LGHUAWFQEJFYKX-CYBMUJFWSA-N 1 0 265.353 2.042 20 10 CECDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809717027 632132346 /nfs/dbraw/zinc/13/23/46/632132346.db2.gz BXTKKUNLACEMBW-ZDUSSCGKSA-N 1 0 296.386 2.129 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)C2CC2)c1O ZINC000809752725 632141220 /nfs/dbraw/zinc/14/12/20/632141220.db2.gz WASCWFAILKWRRN-GFCCVEGCSA-N 1 0 285.771 2.257 20 10 CECDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000841065022 632396858 /nfs/dbraw/zinc/39/68/58/632396858.db2.gz LGTATRYFPZOMNF-FZMZJTMJSA-N 1 0 265.376 2.122 20 10 CECDRO C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000841065024 632398394 /nfs/dbraw/zinc/39/83/94/632398394.db2.gz LGTATRYFPZOMNF-SMDDNHRTSA-N 1 0 265.376 2.122 20 10 CECDRO CN(C)c1ccc([C@H](C[NH2+]CC2CC2)N(C)C)cc1 ZINC000898451647 632499556 /nfs/dbraw/zinc/49/95/56/632499556.db2.gz MMRVBPRUHBXYKF-INIZCTEOSA-N 1 0 261.413 2.355 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)ccc1N(C)C ZINC000815055932 632952963 /nfs/dbraw/zinc/95/29/63/632952963.db2.gz UCWBVEAFDAVOKD-CQSZACIVSA-N 1 0 289.423 2.148 20 10 CECDRO CCOC(=O)[C@H](C)N(C)Cc1ccc(N(C)C)c(C)c1 ZINC000815069410 632954080 /nfs/dbraw/zinc/95/40/80/632954080.db2.gz AHSMALKJDAJFDT-ZDUSSCGKSA-N 1 0 278.396 2.444 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@H](n3cncn3)C2)ccc1N(C)C ZINC000815094649 632957804 /nfs/dbraw/zinc/95/78/04/632957804.db2.gz FOOAULLFQUGDJD-HNNXBMFYSA-N 1 0 285.395 2.100 20 10 CECDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815094462 632958018 /nfs/dbraw/zinc/95/80/18/632958018.db2.gz BURGVDIUFJMTON-WBVHZDCISA-N 1 0 292.423 2.345 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C)C[C@@H]32)ccc1N(C)C ZINC000815120931 632963447 /nfs/dbraw/zinc/96/34/47/632963447.db2.gz PRXBQMLBVUJUKY-WBVHZDCISA-N 1 0 273.424 2.197 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@]1(O)CCCC1(C)C ZINC000815147656 632972741 /nfs/dbraw/zinc/97/27/41/632972741.db2.gz UVNDKILZTXBYFT-MRXNPFEDSA-N 1 0 279.380 2.432 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000815160153 632974940 /nfs/dbraw/zinc/97/49/40/632974940.db2.gz REFUBIURYZWWTE-NHYWBVRUSA-N 1 0 265.353 2.042 20 10 CECDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816593869 633419819 /nfs/dbraw/zinc/41/98/19/633419819.db2.gz HEYKCSKSDSIXEY-PXAZEXFGSA-N 1 0 287.359 2.175 20 10 CECDRO Cc1cccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1O ZINC000816652994 633457597 /nfs/dbraw/zinc/45/75/97/633457597.db2.gz BGBRXHYHEXUOBQ-OAHLLOKOSA-N 1 0 284.359 2.407 20 10 CECDRO CNC(=O)[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000817414797 633653333 /nfs/dbraw/zinc/65/33/33/633653333.db2.gz KHBAMSZSIBYPQG-AWEZNQCLSA-N 1 0 284.359 2.113 20 10 CECDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000817415274 633653404 /nfs/dbraw/zinc/65/34/04/633653404.db2.gz WAGVIQPOOVUNDC-YPMHNXCESA-N 1 0 266.360 2.237 20 10 CECDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000817415802 633654326 /nfs/dbraw/zinc/65/43/26/633654326.db2.gz ZLLQNQJEEXRTLF-CYBMUJFWSA-N 1 0 282.771 2.064 20 10 CECDRO C[C@H](NCc1ccc2c(c1)CCCN2C)[C@@H]1CCC[NH2+]1 ZINC000817900615 633761320 /nfs/dbraw/zinc/76/13/20/633761320.db2.gz OPWNDVQHCHIXFA-BBRMVZONSA-N 1 0 273.424 2.299 20 10 CECDRO C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000817944429 633790943 /nfs/dbraw/zinc/79/09/43/633790943.db2.gz BSKMDTSUETVQDL-YWVKMMECSA-N 1 0 250.317 2.031 20 10 CECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCC[NH2+]C(C)C)c1 ZINC000817954279 633798577 /nfs/dbraw/zinc/79/85/77/633798577.db2.gz WZHBNZARHRYDIX-GFCCVEGCSA-N 1 0 294.395 2.218 20 10 CECDRO Cc1nccnc1[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817957165 633799480 /nfs/dbraw/zinc/79/94/80/633799480.db2.gz JTCSSSMTVWCAQN-LLVKDONJSA-N 1 0 256.353 2.261 20 10 CECDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817957095 633799533 /nfs/dbraw/zinc/79/95/33/633799533.db2.gz IWRGFUBBWRKTPB-HNNXBMFYSA-N 1 0 270.380 2.212 20 10 CECDRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955629 633799750 /nfs/dbraw/zinc/79/97/50/633799750.db2.gz DDAPIGWWGRLCPG-ZDUSSCGKSA-N 1 0 277.412 2.048 20 10 CECDRO Nc1ccc(CC[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000817958724 633801791 /nfs/dbraw/zinc/80/17/91/633801791.db2.gz XPTYYBNODZMNHV-OAHLLOKOSA-N 1 0 260.381 2.360 20 10 CECDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CN)c1O ZINC000817966749 633810334 /nfs/dbraw/zinc/81/03/34/633810334.db2.gz VBHDUXMXQCNFIH-BDAKNGLRSA-N 1 0 287.201 2.461 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(C)cc1O ZINC000817975760 633818667 /nfs/dbraw/zinc/81/86/67/633818667.db2.gz BAPUWFBSENIEGH-OBJOEFQTSA-N 1 0 266.360 2.441 20 10 CECDRO COC[C@@]1(CN[C@H](C)c2cc(Cl)ccc2O)CCC[NH2+]1 ZINC000817975887 633819073 /nfs/dbraw/zinc/81/90/73/633819073.db2.gz ZFQJCUFJJWNQEJ-ABAIWWIYSA-N 1 0 298.814 2.465 20 10 CECDRO C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C(F)(F)F)c1[O-] ZINC000817977938 633821482 /nfs/dbraw/zinc/82/14/82/633821482.db2.gz RVAPVPJSADPCBV-BXSSEVMYSA-N 1 0 286.297 2.279 20 10 CECDRO COc1ccc(O)c([C@H](C)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000817979961 633823756 /nfs/dbraw/zinc/82/37/56/633823756.db2.gz GSUGXHNLEAUTAX-TVQRCGJNSA-N 1 0 286.322 2.049 20 10 CECDRO Cc1ccc(O)c([C@@H](C)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000817981371 633824849 /nfs/dbraw/zinc/82/48/49/633824849.db2.gz RPTGRJQQUFUTSJ-ZWNOBZJWSA-N 1 0 270.323 2.348 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C2CC(CC(N)=O)C2)c2c1c(F)ccc2O ZINC000903260314 635033474 /nfs/dbraw/zinc/03/34/74/635033474.db2.gz OVBHOROECILEQL-ANONENCNSA-N 1 0 292.354 2.323 20 10 CECDRO COc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000903338621 635068994 /nfs/dbraw/zinc/06/89/94/635068994.db2.gz SHMJZSFIUZTLKV-NSHDSACASA-N 1 0 275.352 2.294 20 10 CECDRO CC[C@H](CN1CCOCC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903342012 635069602 /nfs/dbraw/zinc/06/96/02/635069602.db2.gz AREQRFXZVABMNJ-HUUCEWRRSA-N 1 0 290.407 2.080 20 10 CECDRO CCn1nnc(C)c1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000823851548 635290952 /nfs/dbraw/zinc/29/09/52/635290952.db2.gz OPKVNEXGWUFQOX-UHFFFAOYSA-N 1 0 287.411 2.271 20 10 CECDRO Cc1cc(CN2CC[C@H]3CC[C@@]32C[NH3+])ccc1N(C)C ZINC000903865211 635315062 /nfs/dbraw/zinc/31/50/62/635315062.db2.gz YSVOYVUZKVVZNQ-NVXWUHKLSA-N 1 0 273.424 2.374 20 10 CECDRO OC[C@@H]([C@@H]([NH2+]Cc1cc(F)ccc1O)C1CC1)C1CC1 ZINC000824846438 635510921 /nfs/dbraw/zinc/51/09/21/635510921.db2.gz SCGIWWTUMNMUOO-ZBFHGGJFSA-N 1 0 279.355 2.418 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2OC)c1 ZINC000824903727 635521690 /nfs/dbraw/zinc/52/16/90/635521690.db2.gz LOMKEVYCBIJVEL-UKRRQHHQSA-N 1 0 265.353 2.448 20 10 CECDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000824913173 635523803 /nfs/dbraw/zinc/52/38/03/635523803.db2.gz KHHAWZZIJLPPHR-JTQLQIEISA-N 1 0 284.787 2.168 20 10 CECDRO COC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000825158533 635581868 /nfs/dbraw/zinc/58/18/68/635581868.db2.gz OZDQYZMPAUHUQQ-OAHLLOKOSA-N 1 0 299.798 2.185 20 10 CECDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000825284334 635605639 /nfs/dbraw/zinc/60/56/39/635605639.db2.gz LHBUDOKNMQRSRC-UKRRQHHQSA-N 1 0 265.353 2.448 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)C2CC2)cc1Cl ZINC000825291201 635606434 /nfs/dbraw/zinc/60/64/34/635606434.db2.gz GQXCDKLGMSJRFI-GFCCVEGCSA-N 1 0 255.745 2.215 20 10 CECDRO COc1cccc(O)c1CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000825331246 635618279 /nfs/dbraw/zinc/61/82/79/635618279.db2.gz ALMGAPIGKXXLHT-ZDUSSCGKSA-N 1 0 278.396 2.315 20 10 CECDRO COc1cccc(O)c1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904430068 635625283 /nfs/dbraw/zinc/62/52/83/635625283.db2.gz DVAYHWCJHCRYES-INIZCTEOSA-N 1 0 276.380 2.119 20 10 CECDRO COC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826096738 635760836 /nfs/dbraw/zinc/76/08/36/635760836.db2.gz BEXRGHHAYUNINY-HNNXBMFYSA-N 1 0 299.798 2.185 20 10 CECDRO CCN1C[C@@H](C[NH2+]Cc2cc(Cl)c(C)cc2O)CC1=O ZINC000826142708 635765777 /nfs/dbraw/zinc/76/57/77/635765777.db2.gz IPRSKHVOPAKSTP-LLVKDONJSA-N 1 0 296.798 2.312 20 10 CECDRO O=C1CCC2=C(CC[N@@H+](Cc3c(O)cccc3Cl)C2)N1 ZINC000826780691 635844145 /nfs/dbraw/zinc/84/41/45/635844145.db2.gz OLWWVASLHXOCLY-UHFFFAOYSA-N 1 0 292.766 2.415 20 10 CECDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1 ZINC000826822501 635854515 /nfs/dbraw/zinc/85/45/15/635854515.db2.gz VULVNOMLZXLJBB-NVXWUHKLSA-N 1 0 292.423 2.202 20 10 CECDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1 ZINC000826822500 635855222 /nfs/dbraw/zinc/85/52/22/635855222.db2.gz VULVNOMLZXLJBB-DOTOQJQBSA-N 1 0 292.423 2.202 20 10 CECDRO [NH3+][C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000827004799 636185909 /nfs/dbraw/zinc/18/59/09/636185909.db2.gz OOISBJXWUDJPGB-INIZCTEOSA-N 1 0 287.407 2.030 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000827151664 636238273 /nfs/dbraw/zinc/23/82/73/636238273.db2.gz HUSJYCOREJCJPM-INIZCTEOSA-N 1 0 261.365 2.438 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1F ZINC000827279938 636278156 /nfs/dbraw/zinc/27/81/56/636278156.db2.gz CAHGDDRLCWWXEV-CZUORRHYSA-N 1 0 278.371 2.360 20 10 CECDRO Cc1cncc(CC[NH2+]Cc2cccc(C)c2O)n1 ZINC000827383163 636309825 /nfs/dbraw/zinc/30/98/25/636309825.db2.gz BDKBESCXARRPTR-UHFFFAOYSA-N 1 0 257.337 2.131 20 10 CECDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000827500835 636338912 /nfs/dbraw/zinc/33/89/12/636338912.db2.gz LLTFOHOETZZGLL-OKILXGFUSA-N 1 0 276.380 2.102 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c1O ZINC000827633695 636370888 /nfs/dbraw/zinc/37/08/88/636370888.db2.gz BVRBZFNOBYFOLP-AWEZNQCLSA-N 1 0 288.391 2.145 20 10 CECDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000827680565 636387153 /nfs/dbraw/zinc/38/71/53/636387153.db2.gz PZCASAGFQVUIRT-CQSZACIVSA-N 1 0 276.380 2.129 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1O ZINC000827699256 636396621 /nfs/dbraw/zinc/39/66/21/636396621.db2.gz FUMZEXZIAVVANV-MLGOLLRUSA-N 1 0 279.380 2.241 20 10 CECDRO C[NH+](C)CC1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000831431313 637327170 /nfs/dbraw/zinc/32/71/70/637327170.db2.gz DTMVWCQTMROZAA-UHFFFAOYSA-N 1 0 289.423 2.048 20 10 CECDRO CCOc1cccc(CN[C@@H]2CC[NH2+]C2(C)C)c1O ZINC000841086324 637509924 /nfs/dbraw/zinc/50/99/24/637509924.db2.gz MZUJVJZPJHHUFF-CYBMUJFWSA-N 1 0 264.369 2.021 20 10 CECDRO CCC1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832267228 637528880 /nfs/dbraw/zinc/52/88/80/637528880.db2.gz OMZGUUFZDOVYTJ-AWEZNQCLSA-N 1 0 275.396 2.059 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCOC[C@@H]1CCOC1)CC2 ZINC000834578566 637878522 /nfs/dbraw/zinc/87/85/22/637878522.db2.gz UWSVPAVFYQBSEI-OCCSQVGLSA-N 1 0 277.364 2.022 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCc3c[nH]nc3C1)CC2 ZINC000834620984 637893107 /nfs/dbraw/zinc/89/31/07/637893107.db2.gz ZTXMVVSAOPZDTH-OLZOCXBDSA-N 1 0 269.348 2.250 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCc3n[nH]cc3C1)CC2 ZINC000834680703 637917617 /nfs/dbraw/zinc/91/76/17/637917617.db2.gz GFKZBGWIPRITTR-TZMCWYRMSA-N 1 0 269.348 2.250 20 10 CECDRO OCC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000834766380 637944381 /nfs/dbraw/zinc/94/43/81/637944381.db2.gz SVAOQUHTYRCTQC-LSDHHAIUSA-N 1 0 291.391 2.147 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cc(F)ccc1O ZINC000834849994 637970639 /nfs/dbraw/zinc/97/06/39/637970639.db2.gz ICRSLOXTMRWXTK-JSGCOSHPSA-N 1 0 296.386 2.029 20 10 CECDRO COCC(COC)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834894083 637980191 /nfs/dbraw/zinc/98/01/91/637980191.db2.gz YYJMFGCWXPDMHJ-CABZTGNLSA-N 1 0 283.343 2.331 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1ccc(C)cc1O ZINC000834892546 637980511 /nfs/dbraw/zinc/98/05/11/637980511.db2.gz WAILKCSOHDAEPZ-GXTWGEPZSA-N 1 0 276.380 2.362 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000834904075 637982462 /nfs/dbraw/zinc/98/24/62/637982462.db2.gz MMYRLDPQKVAIDX-DAXOMENPSA-N 1 0 278.396 2.207 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(C)cc1O ZINC000834907531 637983711 /nfs/dbraw/zinc/98/37/11/637983711.db2.gz VPLFDPMKJJIZKQ-SCRDCRAPSA-N 1 0 276.380 2.395 20 10 CECDRO CC[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(N(C)C)cc1 ZINC000834909595 637984921 /nfs/dbraw/zinc/98/49/21/637984921.db2.gz SOCJZVYJMCQTJT-DOTOQJQBSA-N 1 0 289.423 2.462 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c(C)c1O)C(=O)NC ZINC000834913988 637987242 /nfs/dbraw/zinc/98/72/42/637987242.db2.gz RTJRKAQCEKPHHY-DGCLKSJQSA-N 1 0 264.369 2.184 20 10 CECDRO CCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCO ZINC000835025263 638028618 /nfs/dbraw/zinc/02/86/18/638028618.db2.gz HDZQBTMJAFSCGS-WAYWQWQTSA-N 1 0 262.397 2.470 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000835036485 638033053 /nfs/dbraw/zinc/03/30/53/638033053.db2.gz QJHOJVNPQJCEDI-DHCBQETCSA-N 1 0 288.313 2.279 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2cnn(C)c2)cc1 ZINC000835036030 638033140 /nfs/dbraw/zinc/03/31/40/638033140.db2.gz NPQPKMKBWWTFRX-SNAWJCMRSA-N 1 0 270.380 2.289 20 10 CECDRO CC(C)NC(=O)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034866 638033437 /nfs/dbraw/zinc/03/34/37/638033437.db2.gz BYLIGSIKTCEKTF-WAYWQWQTSA-N 1 0 289.423 2.270 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCOC2)cc1 ZINC000835036076 638033449 /nfs/dbraw/zinc/03/34/49/638033449.db2.gz NAHMWWUVPZHEAB-JZIMQPMSSA-N 1 0 260.381 2.392 20 10 CECDRO COCCOCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835038355 638033864 /nfs/dbraw/zinc/03/38/64/638033864.db2.gz WPFVPGGHLSUFLW-PLNGDYQASA-N 1 0 278.396 2.018 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(C)COC2)cc1 ZINC000835038632 638034250 /nfs/dbraw/zinc/03/42/50/638034250.db2.gz CDWHWBUZRKTDQZ-PLNGDYQASA-N 1 0 260.381 2.392 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@]2(C)CCC(=O)N2)cc1 ZINC000835059819 638043756 /nfs/dbraw/zinc/04/37/56/638043756.db2.gz DQRZEWJGPKASHI-CHYADLBTSA-N 1 0 287.407 2.024 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@@H]2O)c1 ZINC000835084827 638055364 /nfs/dbraw/zinc/05/53/64/638055364.db2.gz SMTWNYRMQQZZSJ-RISCZKNCSA-N 1 0 265.353 2.042 20 10 CECDRO CC[NH2+][C@H](C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000876756217 650422749 /nfs/dbraw/zinc/42/27/49/650422749.db2.gz QWLMDMFMIXFEKI-GFCCVEGCSA-N 1 0 295.402 2.286 20 10 CECDRO CCOC(=O)N1CCC([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876919563 650487166 /nfs/dbraw/zinc/48/71/66/650487166.db2.gz WFYHCLSLZRTVFL-UHFFFAOYSA-N 1 0 292.379 2.411 20 10 CECDRO CCOC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000044689083 639350219 /nfs/dbraw/zinc/35/02/19/639350219.db2.gz NOQXCZSXLZUKSU-WDEREUQCSA-N 1 0 253.342 2.476 20 10 CECDRO COc1cc(C)cc(C[NH+]2CCC(OC(C)=O)CC2)c1O ZINC000164602797 639383310 /nfs/dbraw/zinc/38/33/10/639383310.db2.gz RKMAHROISHEOFF-UHFFFAOYSA-N 1 0 293.363 2.237 20 10 CECDRO CC(C)C[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000058062731 639482641 /nfs/dbraw/zinc/48/26/41/639482641.db2.gz KMSQXONDCLVLKK-HNNXBMFYSA-N 1 0 289.423 2.134 20 10 CECDRO Cc1cccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1O ZINC000158019726 639559697 /nfs/dbraw/zinc/55/96/97/639559697.db2.gz ZZSBFXKMXRLJQR-UHFFFAOYSA-N 1 0 288.391 2.191 20 10 CECDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000840892046 639575326 /nfs/dbraw/zinc/57/53/26/639575326.db2.gz XKRAPBNOOYUUOR-IUCAKERBSA-N 1 0 286.322 2.234 20 10 CECDRO COCC[NH+](CCOC)Cc1ccc(N(C)C)cc1C ZINC000840907763 639581282 /nfs/dbraw/zinc/58/12/82/639581282.db2.gz IXCZJVHZRGUVOS-UHFFFAOYSA-N 1 0 280.412 2.156 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840907746 639581561 /nfs/dbraw/zinc/58/15/61/639581561.db2.gz IJFZXVAQNWVCSD-JTQLQIEISA-N 1 0 282.771 2.051 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CO)C2)c(Cl)c1 ZINC000840912184 639583392 /nfs/dbraw/zinc/58/33/92/639583392.db2.gz BYROCIMPZNRLPQ-SNVBAGLBSA-N 1 0 255.745 2.168 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000840915018 639584564 /nfs/dbraw/zinc/58/45/64/639584564.db2.gz ZADCHUBGMXVOEH-MRXNPFEDSA-N 1 0 289.423 2.017 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](OCCO)C2)c(Cl)c1 ZINC000840918031 639585636 /nfs/dbraw/zinc/58/56/36/639585636.db2.gz ONKDJABAFBHFTP-LBPRGKRZSA-N 1 0 299.798 2.327 20 10 CECDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933229 639590418 /nfs/dbraw/zinc/59/04/18/639590418.db2.gz FWZCTIIIWMWLMV-HNNXBMFYSA-N 1 0 282.453 2.265 20 10 CECDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936563 639590890 /nfs/dbraw/zinc/59/08/90/639590890.db2.gz LGKIURFSIRLYQI-JKSUJKDBSA-N 1 0 289.423 2.065 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000840938479 639592897 /nfs/dbraw/zinc/59/28/97/639592897.db2.gz GJRBAUYTKMJQGW-LRDDRELGSA-N 1 0 262.397 2.264 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CS[C@H](C)C2)cc1OC ZINC000840958827 639601421 /nfs/dbraw/zinc/60/14/21/639601421.db2.gz OLZJOGMFWYKJHO-KOLCDFICSA-N 1 0 283.393 2.393 20 10 CECDRO CC[C@@H]([NH2+]Cc1c(O)cccc1OC)[C@@H](O)C(C)C ZINC000840966475 639603896 /nfs/dbraw/zinc/60/38/96/639603896.db2.gz GBWDDXLGQGAIQW-DOMZBBRYSA-N 1 0 267.369 2.286 20 10 CECDRO CCN(CC)c1ccc(CNCC(C)(C)[NH3+])cc1F ZINC000841029824 639622842 /nfs/dbraw/zinc/62/28/42/639622842.db2.gz BDUAULGDJHPFFF-UHFFFAOYSA-N 1 0 267.392 2.499 20 10 CECDRO Oc1cccc(Cl)c1CNC[C@H]1CCCC[NH2+]1 ZINC000841032212 639623715 /nfs/dbraw/zinc/62/37/15/639623715.db2.gz AMSFSGSCTHXMHR-SNVBAGLBSA-N 1 0 254.761 2.277 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H](N)c2ccccc2)c1 ZINC000841034110 639626560 /nfs/dbraw/zinc/62/65/60/639626560.db2.gz ALMFMWMMNQMCHB-HNNXBMFYSA-N 1 0 272.348 2.190 20 10 CECDRO CCc1nn(C)c(CC)c1C[NH2+]CCc1ccc(N)cc1 ZINC000841033961 639626982 /nfs/dbraw/zinc/62/69/82/639626982.db2.gz DBGVJNPRSGDXNM-UHFFFAOYSA-N 1 0 286.423 2.459 20 10 CECDRO CCC[NH2+]CCNCc1cc(Cl)cc(OC)c1O ZINC000841046393 639630952 /nfs/dbraw/zinc/63/09/52/639630952.db2.gz DHIRKOFFBFQFIE-UHFFFAOYSA-N 1 0 272.776 2.143 20 10 CECDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CC[NH2+]1 ZINC000841061176 639636672 /nfs/dbraw/zinc/63/66/72/639636672.db2.gz FWGQDNUZVGBHAB-GXSJLCMTSA-N 1 0 254.761 2.276 20 10 CECDRO CN(C)c1ccc(CN[C@@H]2CCCC[NH2+]C2)cc1F ZINC000841091170 639652981 /nfs/dbraw/zinc/65/29/81/639652981.db2.gz UVYZDMQUMUQTKW-CYBMUJFWSA-N 1 0 265.376 2.123 20 10 CECDRO CCOc1ccc(CN[C@H](CC[NH3+])C(F)(F)F)c(O)c1 ZINC000841091307 639654861 /nfs/dbraw/zinc/65/48/61/639654861.db2.gz XYPGTROEDSLWBF-GFCCVEGCSA-N 1 0 292.301 2.160 20 10 CECDRO C[NH2+]C[C@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229102454 639676495 /nfs/dbraw/zinc/67/64/95/639676495.db2.gz ZGSJZDVZIDGTFD-LLVKDONJSA-N 1 0 298.814 2.486 20 10 CECDRO COc1cccc(CN2C[C@H]([NH3+])Cc3ccccc32)c1O ZINC000841106263 639683730 /nfs/dbraw/zinc/68/37/30/639683730.db2.gz IOPQJVDKYWGOHY-CQSZACIVSA-N 1 0 284.359 2.291 20 10 CECDRO C[N@H+](CCn1cccn1)Cc1cc2c(cc1O)CCC2 ZINC000171890922 639736797 /nfs/dbraw/zinc/73/67/97/639736797.db2.gz WDZQTHROKIVHCY-UHFFFAOYSA-N 1 0 271.364 2.209 20 10 CECDRO Cc1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)c(O)c1 ZINC000877014487 650532013 /nfs/dbraw/zinc/53/20/13/650532013.db2.gz CODMMGLBZPUCPO-MRXNPFEDSA-N 1 0 271.360 2.394 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(Cl)cc1O ZINC000841754636 639858696 /nfs/dbraw/zinc/85/86/96/639858696.db2.gz UGEYFGPUTSDYCF-SECBINFHSA-N 1 0 282.771 2.222 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000841945228 639909287 /nfs/dbraw/zinc/90/92/87/639909287.db2.gz BHDDDBJDPBBIJX-CQSZACIVSA-N 1 0 291.395 2.051 20 10 CECDRO C[N@H+](CCOC[C@H]1CCCO1)Cc1ccccc1O ZINC000152295300 640201870 /nfs/dbraw/zinc/20/18/70/640201870.db2.gz VCHBNCWTOQTHPG-CQSZACIVSA-N 1 0 265.353 2.020 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000842909514 640218818 /nfs/dbraw/zinc/21/88/18/640218818.db2.gz IFDXOJKMGPXKFG-IACUBPJLSA-N 1 0 265.353 2.073 20 10 CECDRO CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccc(N)cc1 ZINC000877075797 650561101 /nfs/dbraw/zinc/56/11/01/650561101.db2.gz HXAGUNNINFADRN-ZDUSSCGKSA-N 1 0 261.369 2.010 20 10 CECDRO COc1cc(O)c(CN2CCCC[C@@H]2[C@H](C)[NH3+])cc1OC ZINC000843044719 640249687 /nfs/dbraw/zinc/24/96/87/640249687.db2.gz GHEHQPMUJDQNGN-WCQYABFASA-N 1 0 294.395 2.111 20 10 CECDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@@H]2C)cc1 ZINC000843048357 640252341 /nfs/dbraw/zinc/25/23/41/640252341.db2.gz ZXLCXGCQFUVJHB-AWEZNQCLSA-N 1 0 261.413 2.327 20 10 CECDRO [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843047788 640252344 /nfs/dbraw/zinc/25/23/44/640252344.db2.gz VGTMKOIJZZQGSI-JTQLQIEISA-N 1 0 254.761 2.216 20 10 CECDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000843048017 640252973 /nfs/dbraw/zinc/25/29/73/640252973.db2.gz JDANHQBPPYGLPL-OAHLLOKOSA-N 1 0 273.424 2.471 20 10 CECDRO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@@H](C)[NH2+]1 ZINC000843049811 640253928 /nfs/dbraw/zinc/25/39/28/640253928.db2.gz WBEUZUKDWHPSPK-JBZXTQMFSA-N 1 0 273.424 2.448 20 10 CECDRO C[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)[C@@H]1C[NH3+] ZINC000843051085 640254611 /nfs/dbraw/zinc/25/46/11/640254611.db2.gz DZLMRASTASBHQQ-BLLLJJGKSA-N 1 0 279.403 2.451 20 10 CECDRO CCC[C@@H]1C[NH2+]CCN1Cc1cccc(OCC)c1O ZINC000843057761 640259996 /nfs/dbraw/zinc/25/99/96/640259996.db2.gz HYCFLAVCBDTIHV-CQSZACIVSA-N 1 0 278.396 2.365 20 10 CECDRO C[C@@H]1[NH2+]CCN(C/C=C\c2ccc(N(C)C)cc2)[C@H]1C ZINC000843058042 640260056 /nfs/dbraw/zinc/26/00/56/640260056.db2.gz NYSZLJOCRORMNR-LUNKNMTDSA-N 1 0 273.424 2.448 20 10 CECDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc(OCC)cc1O ZINC000843057664 640260081 /nfs/dbraw/zinc/26/00/81/640260081.db2.gz GUPKGBXSEQNXEZ-AWEZNQCLSA-N 1 0 278.396 2.365 20 10 CECDRO C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843058484 640261130 /nfs/dbraw/zinc/26/11/30/640261130.db2.gz UIAHEKIYZLQXAF-NXEZZACHSA-N 1 0 254.761 2.215 20 10 CECDRO COc1ccc(N(C)C[C@@]2(C)CC[NH2+]C2)cc1F ZINC000843068364 640266532 /nfs/dbraw/zinc/26/65/32/640266532.db2.gz KWFBOBCKJVISRS-AWEZNQCLSA-N 1 0 252.333 2.270 20 10 CECDRO CN(C)c1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1F ZINC000843103482 640281391 /nfs/dbraw/zinc/28/13/91/640281391.db2.gz AEOYPBJPOXAJNY-OKILXGFUSA-N 1 0 277.387 2.218 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1F ZINC000843115595 640286450 /nfs/dbraw/zinc/28/64/50/640286450.db2.gz HFHGQBLPVIBGRA-HNNXBMFYSA-N 1 0 265.376 2.062 20 10 CECDRO CCN(CC)c1ccc(CN(C)C2C[NH2+]C2)cc1F ZINC000843124447 640290564 /nfs/dbraw/zinc/29/05/64/640290564.db2.gz ASDGRIDEJNTACL-UHFFFAOYSA-N 1 0 265.376 2.076 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000877094162 650569661 /nfs/dbraw/zinc/56/96/61/650569661.db2.gz NRNNIQPPLJLADC-QWHCGFSZSA-N 1 0 260.381 2.415 20 10 CECDRO C[C@@H](c1cnccn1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350641 640399566 /nfs/dbraw/zinc/39/95/66/640399566.db2.gz RQILQZOMDYGFRC-LBPRGKRZSA-N 1 0 268.364 2.449 20 10 CECDRO C[NH2+]C[C@H]1CCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000843352637 640400394 /nfs/dbraw/zinc/40/03/94/640400394.db2.gz JLVITOOFAKARNN-CYBMUJFWSA-N 1 0 296.798 2.432 20 10 CECDRO c1cc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc2c1OCC2 ZINC000914433875 640405099 /nfs/dbraw/zinc/40/50/99/640405099.db2.gz XRZKOEBHNWSAJE-CABCVRRESA-N 1 0 259.349 2.136 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@@H](O)C(F)(F)F ZINC000877126080 650583830 /nfs/dbraw/zinc/58/38/30/650583830.db2.gz FFGWCWVDCUYFCR-CMPLNLGQSA-N 1 0 277.286 2.492 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC000877132822 650588138 /nfs/dbraw/zinc/58/81/38/650588138.db2.gz OKUNPWRRNWALRT-ZBFHGGJFSA-N 1 0 277.364 2.128 20 10 CECDRO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](C)OC)cc1 ZINC000844402464 640709290 /nfs/dbraw/zinc/70/92/90/640709290.db2.gz YJKHZBDXSQPKSR-CYBMUJFWSA-N 1 0 266.385 2.098 20 10 CECDRO CCC(=O)CC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402942 640709704 /nfs/dbraw/zinc/70/97/04/640709704.db2.gz XOJPIILKABSVTD-UHFFFAOYSA-N 1 0 278.396 2.432 20 10 CECDRO Oc1ccc2ccncc2c1CN1CC[NH+](CC2CC2)CC1 ZINC000917479450 640888059 /nfs/dbraw/zinc/88/80/59/640888059.db2.gz IUWPHFSMLXQXET-UHFFFAOYSA-N 1 0 297.402 2.468 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC000154448331 640900877 /nfs/dbraw/zinc/90/08/77/640900877.db2.gz FVJAGDOCNLXYPC-OAHLLOKOSA-N 1 0 262.397 2.488 20 10 CECDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000154475618 640908426 /nfs/dbraw/zinc/90/84/26/640908426.db2.gz OPORVXGKDYDJFK-CYBMUJFWSA-N 1 0 253.317 2.267 20 10 CECDRO C[C@H](COCC1CC1)[NH2+]Cc1cc(F)ccc1O ZINC000846072868 641173245 /nfs/dbraw/zinc/17/32/45/641173245.db2.gz JRIFUAUMJRADND-SNVBAGLBSA-N 1 0 253.317 2.436 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1C ZINC000846075212 641174792 /nfs/dbraw/zinc/17/47/92/641174792.db2.gz MIZFZTJRSFEEAX-CQSZACIVSA-N 1 0 288.391 2.104 20 10 CECDRO CCN1C[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C)CC1=O ZINC000846096285 641179788 /nfs/dbraw/zinc/17/97/88/641179788.db2.gz GANIVPAWKSHRTH-CQSZACIVSA-N 1 0 289.423 2.019 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000846113557 641188265 /nfs/dbraw/zinc/18/82/65/641188265.db2.gz YNBMVNUZZLBGJT-PHIMTYICSA-N 1 0 269.291 2.488 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)C)c1O ZINC000846142314 641199497 /nfs/dbraw/zinc/19/94/97/641199497.db2.gz RIJVZYVHZXWDKX-NEPJUHHUSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000846144267 641200321 /nfs/dbraw/zinc/20/03/21/641200321.db2.gz BXJMPEDPLYTPEZ-CMPLNLGQSA-N 1 0 287.363 2.332 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1O ZINC000846148974 641203321 /nfs/dbraw/zinc/20/33/21/641203321.db2.gz DNFYETMNGJFAST-NSHDSACASA-N 1 0 294.395 2.356 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCCc2nc(C)no2)c1O ZINC000846150318 641203460 /nfs/dbraw/zinc/20/34/60/641203460.db2.gz YOWAVYXWUOSGLO-JTQLQIEISA-N 1 0 291.351 2.376 20 10 CECDRO CC[C@H](O)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846151509 641204887 /nfs/dbraw/zinc/20/48/87/641204887.db2.gz ZFYBBUYDDBJJDX-MNOVXSKESA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000846156543 641205837 /nfs/dbraw/zinc/20/58/37/641205837.db2.gz FYDOUQYCNLUUFC-PELKAZGASA-N 1 0 293.285 2.365 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCOCC(F)F)c1O ZINC000846163956 641209815 /nfs/dbraw/zinc/20/98/15/641209815.db2.gz CTPSCISEWXSBCZ-VIFPVBQESA-N 1 0 275.295 2.333 20 10 CECDRO COC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@@H]1CCCO1 ZINC000846167585 641210595 /nfs/dbraw/zinc/21/05/95/641210595.db2.gz LAMLJILOGNGODE-XBFCOCLRSA-N 1 0 295.379 2.245 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2OC)c1O ZINC000846170739 641211483 /nfs/dbraw/zinc/21/14/83/641211483.db2.gz ZFANGVDXMVWEAY-YWPYICTPSA-N 1 0 295.379 2.103 20 10 CECDRO C[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Cl)ccc1O ZINC000846192185 641218095 /nfs/dbraw/zinc/21/80/95/641218095.db2.gz FWZLZQPPULXMAJ-QMTHXVAHSA-N 1 0 285.771 2.238 20 10 CECDRO CCN1C[C@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000846209991 641223075 /nfs/dbraw/zinc/22/30/75/641223075.db2.gz VFSILPSFIRXPDK-KGLIPLIRSA-N 1 0 289.423 2.272 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CCF)c(O)c1C ZINC000846209336 641223489 /nfs/dbraw/zinc/22/34/89/641223489.db2.gz QJEANJRWWPHIRQ-NWDGAFQWSA-N 1 0 255.333 2.380 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1O ZINC000877256126 650644186 /nfs/dbraw/zinc/64/41/86/650644186.db2.gz NVYAITMEBNGQMX-SJKOYZFVSA-N 1 0 296.370 2.456 20 10 CECDRO C[C@@H](CC(=O)Nc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC000237596454 641357744 /nfs/dbraw/zinc/35/77/44/641357744.db2.gz OQIOVXTZGCHWGL-NSHDSACASA-N 1 0 261.369 2.233 20 10 CECDRO C[NH+](C)C[C@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000179633875 641371782 /nfs/dbraw/zinc/37/17/82/641371782.db2.gz MTTVWNHYJNEVHK-LLVKDONJSA-N 1 0 268.788 2.429 20 10 CECDRO Cc1cc(C[NH+]2CCN(c3ncc[nH]3)CC2)ccc1N(C)C ZINC000846875071 641463451 /nfs/dbraw/zinc/46/34/51/641463451.db2.gz CPZQVCRDJCDYCA-UHFFFAOYSA-N 1 0 299.422 2.106 20 10 CECDRO Cc1cc(C[N@@H+](C[C@@H](C)O)C2CC2)ccc1N(C)C ZINC000847103876 641569329 /nfs/dbraw/zinc/56/93/29/641569329.db2.gz GMVZUXPWIYOZPL-CYBMUJFWSA-N 1 0 262.397 2.406 20 10 CECDRO CN1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921499425 641630609 /nfs/dbraw/zinc/63/06/09/641630609.db2.gz YNYVBNRLYJJYKJ-UHFFFAOYSA-N 1 0 260.381 2.195 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2scnc2C)c1 ZINC000071212571 641731092 /nfs/dbraw/zinc/73/10/92/641731092.db2.gz CHBJZURSLKTKLR-UHFFFAOYSA-N 1 0 264.350 2.456 20 10 CECDRO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000183487549 641750385 /nfs/dbraw/zinc/75/03/85/641750385.db2.gz DUAJTAKYAISBJK-UONOGXRCSA-N 1 0 278.396 2.154 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000126494058 650696923 /nfs/dbraw/zinc/69/69/23/650696923.db2.gz XCZWRTHGTWIZLU-GFCCVEGCSA-N 1 0 277.412 2.318 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)c(O)c1 ZINC000185791293 642029374 /nfs/dbraw/zinc/02/93/74/642029374.db2.gz ZNTZQFOTXADCFR-RYUDHWBXSA-N 1 0 285.409 2.174 20 10 CECDRO CO[C@](C)(CO)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000848556436 642052363 /nfs/dbraw/zinc/05/23/63/642052363.db2.gz XQOUSSMAVCHTFO-YGRLFVJLSA-N 1 0 287.787 2.402 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848559452 642053547 /nfs/dbraw/zinc/05/35/47/642053547.db2.gz WXHXQXSDFANFQR-WZRBSPASSA-N 1 0 293.367 2.291 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c(O)c1 ZINC000848572801 642060207 /nfs/dbraw/zinc/06/02/07/642060207.db2.gz VXORELFWNIOTTA-YPMHNXCESA-N 1 0 290.363 2.334 20 10 CECDRO CCc1cccc(C[NH+]2CCC(OCCCO)CC2)c1O ZINC000848888109 642172774 /nfs/dbraw/zinc/17/27/74/642172774.db2.gz MFEPNTVFWXPTPI-UHFFFAOYSA-N 1 0 293.407 2.318 20 10 CECDRO CCc1cccc(C[NH2+]CCCc2nc(C)no2)c1O ZINC000848896161 642175575 /nfs/dbraw/zinc/17/55/75/642175575.db2.gz UCPYEUSZLUZXKF-UHFFFAOYSA-N 1 0 275.352 2.368 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c1O ZINC000848897514 642176757 /nfs/dbraw/zinc/17/67/57/642176757.db2.gz QTLNDOOVCXGCOQ-CQSZACIVSA-N 1 0 271.364 2.325 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)c2nnc3n2CCC3)c1O ZINC000848900803 642179479 /nfs/dbraw/zinc/17/94/79/642179479.db2.gz KCEHKIIHUZPFJH-LLVKDONJSA-N 1 0 286.379 2.343 20 10 CECDRO CCc1nnc([C@H](C)[NH2+]Cc2cccc(CC)c2O)[nH]1 ZINC000848901193 642179488 /nfs/dbraw/zinc/17/94/88/642179488.db2.gz WNKCAKVMKWIBKD-JTQLQIEISA-N 1 0 274.368 2.486 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2cccc(CC)c2O)CC1 ZINC000848903113 642180812 /nfs/dbraw/zinc/18/08/12/642180812.db2.gz MJCMLUBAHPETHB-UHFFFAOYSA-N 1 0 277.364 2.388 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCn3ccnc3C2)c1O ZINC000848903883 642181800 /nfs/dbraw/zinc/18/18/00/642181800.db2.gz GGBXLCTXBHVSQW-AWEZNQCLSA-N 1 0 271.364 2.256 20 10 CECDRO CCc1cccc(C[N@@H+]2CCN(CC)C(=O)[C@H]2CC)c1O ZINC000848903776 642181873 /nfs/dbraw/zinc/18/18/73/642181873.db2.gz DBOPYRMWDSHWSM-OAHLLOKOSA-N 1 0 290.407 2.397 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H]3CN(C)C[C@@H]32)c1O ZINC000848912881 642187587 /nfs/dbraw/zinc/18/75/87/642187587.db2.gz LFVHMAWNJTWHJA-HIFRSBDPSA-N 1 0 260.381 2.091 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000848914352 642189008 /nfs/dbraw/zinc/18/90/08/642189008.db2.gz IBEBOBUKRCEBOM-GJZGRUSLSA-N 1 0 288.391 2.198 20 10 CECDRO CCOCCOCC[N@H+](C)Cc1c(C)cccc1O ZINC000877467009 650732955 /nfs/dbraw/zinc/73/29/55/650732955.db2.gz VHIUMJJQODTVRJ-UHFFFAOYSA-N 1 0 267.369 2.186 20 10 CECDRO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c(O)c1 ZINC000877495552 650750671 /nfs/dbraw/zinc/75/06/71/650750671.db2.gz YLSTWCCXUIPOEA-YOEHRIQHSA-N 1 0 291.391 2.471 20 10 CECDRO Cc1ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)c(O)c1 ZINC000877526903 650768052 /nfs/dbraw/zinc/76/80/52/650768052.db2.gz GGQLPYYBPXLPGB-LLVKDONJSA-N 1 0 263.259 2.056 20 10 CECDRO CO[C@@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)[C@H]1CCOC1 ZINC000850342859 642673326 /nfs/dbraw/zinc/67/33/26/642673326.db2.gz NYILMFJZHBVWRL-NHYWBVRUSA-N 1 0 299.798 2.495 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)cc1C ZINC000850352529 642678981 /nfs/dbraw/zinc/67/89/81/642678981.db2.gz ZSOJBHISONZIGT-WCQYABFASA-N 1 0 272.352 2.396 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C/C=C\CO)cc1F ZINC000850357297 642681001 /nfs/dbraw/zinc/68/10/01/642681001.db2.gz DZSPVKZGCYINHR-WAYWQWQTSA-N 1 0 266.360 2.310 20 10 CECDRO CO[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000850400985 642701538 /nfs/dbraw/zinc/70/15/38/642701538.db2.gz RNNXWZGODNQCHW-MRXNPFEDSA-N 1 0 293.363 2.416 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000877540727 650776959 /nfs/dbraw/zinc/77/69/59/650776959.db2.gz ATOMAAHZASQIIZ-LLVKDONJSA-N 1 0 271.307 2.150 20 10 CECDRO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921832298 642704911 /nfs/dbraw/zinc/70/49/11/642704911.db2.gz JJWJUDWQDHLFOL-CJNGLKHVSA-N 1 0 274.408 2.441 20 10 CECDRO COCC1(C[NH2+]Cc2c(C)cccc2O)CCOCC1 ZINC000877543281 650778089 /nfs/dbraw/zinc/77/80/89/650778089.db2.gz BQEYJSAEXKTVOE-UHFFFAOYSA-N 1 0 279.380 2.233 20 10 CECDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)[C@@H]1CCOC1 ZINC000850484402 642728941 /nfs/dbraw/zinc/72/89/41/642728941.db2.gz IIQHJWPFIYTGCI-XJKCOSOUSA-N 1 0 279.380 2.403 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CCOC3)C2)cc1 ZINC000850489914 642730469 /nfs/dbraw/zinc/73/04/69/642730469.db2.gz XXIITLIUHGVDBV-ILXRZTDVSA-N 1 0 290.407 2.289 20 10 CECDRO COC[C@H]([NH2+][C@H](C)c1ccccc1O)C1CCOCC1 ZINC000850493364 642732057 /nfs/dbraw/zinc/73/20/57/642732057.db2.gz VWGUZDVSHZWVCV-DOMZBBRYSA-N 1 0 279.380 2.484 20 10 CECDRO CC1(C)OCC([NH2+]Cc2ccc3c(c2)CCCO3)CO1 ZINC000921994516 642828381 /nfs/dbraw/zinc/82/83/81/642828381.db2.gz AZJSZDYOEVGUHA-UHFFFAOYSA-N 1 0 277.364 2.253 20 10 CECDRO OC[C@@H](CC(F)F)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922059239 642860270 /nfs/dbraw/zinc/86/02/70/642860270.db2.gz JRLMSECNCGDLQA-GFCCVEGCSA-N 1 0 271.307 2.117 20 10 CECDRO Cc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c(O)c1 ZINC000877592647 650805364 /nfs/dbraw/zinc/80/53/64/650805364.db2.gz RGFVUMITCZJMNX-UHFFFAOYSA-N 1 0 297.420 2.005 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000877597249 650808245 /nfs/dbraw/zinc/80/82/45/650808245.db2.gz FLAYZIFDHHKHJQ-ZDUSSCGKSA-N 1 0 272.352 2.129 20 10 CECDRO Cc1ccc(C[N@H+]2CCC[C@H]3CN(C)C[C@H]32)c(O)c1 ZINC000877599436 650808720 /nfs/dbraw/zinc/80/87/20/650808720.db2.gz ZOBIKLUWPFQFCV-DZGCQCFKSA-N 1 0 260.381 2.227 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)cc1 ZINC000851720279 643124767 /nfs/dbraw/zinc/12/47/67/643124767.db2.gz FRZPHIJMZRPCCA-HZPDHXFCSA-N 1 0 262.397 2.488 20 10 CECDRO CO[C@@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000851720755 643126261 /nfs/dbraw/zinc/12/62/61/643126261.db2.gz RYNNLZFTXZXCGT-RDJZCZTQSA-N 1 0 292.423 2.236 20 10 CECDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc(C)cc2O)C1 ZINC000877623114 650819002 /nfs/dbraw/zinc/81/90/02/650819002.db2.gz IVTFPQRRMUHPQD-NUEKZKHPSA-N 1 0 293.407 2.356 20 10 CECDRO C[C@@H]1COC[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000922642294 643181260 /nfs/dbraw/zinc/18/12/60/643181260.db2.gz PJGGVIGZOTZJID-LVQRLBQTSA-N 1 0 260.381 2.390 20 10 CECDRO CCC[C@@H](O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000922825842 643277900 /nfs/dbraw/zinc/27/79/00/643277900.db2.gz QFNNZKRANLFKGH-QGZVFWFLSA-N 1 0 292.423 2.164 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000877636836 650827911 /nfs/dbraw/zinc/82/79/11/650827911.db2.gz BUJWQPWVGZHANG-QGZVFWFLSA-N 1 0 293.407 2.358 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000877652492 650835032 /nfs/dbraw/zinc/83/50/32/650835032.db2.gz INBRISMUZNGBOH-GXTWGEPZSA-N 1 0 276.380 2.238 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)ccc1N(C)C ZINC000852313813 643389454 /nfs/dbraw/zinc/38/94/54/643389454.db2.gz OCFWZCTUEGJIGZ-MRXNPFEDSA-N 1 0 299.422 2.175 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H](CO)C2)cc1 ZINC000923006542 643506488 /nfs/dbraw/zinc/50/64/88/643506488.db2.gz BPKFITCPZXRPTG-SHTZXODSSA-N 1 0 262.397 2.393 20 10 CECDRO CSC(C)(C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792255 643553801 /nfs/dbraw/zinc/55/38/01/643553801.db2.gz UBHIEZZKOUMWRG-CYBMUJFWSA-N 1 0 295.452 2.010 20 10 CECDRO C[C@@H]1CCOCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000774661143 643804172 /nfs/dbraw/zinc/80/41/72/643804172.db2.gz VKHNPWOJVIELEN-GFCCVEGCSA-N 1 0 261.365 2.492 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000853584605 643823896 /nfs/dbraw/zinc/82/38/96/643823896.db2.gz AFZKRDUWTDMXBO-DZGCQCFKSA-N 1 0 261.365 2.477 20 10 CECDRO COC(=O)C1CC([NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000877721223 650869732 /nfs/dbraw/zinc/86/97/32/650869732.db2.gz JVYNXHTZIRIHQB-UHFFFAOYSA-N 1 0 263.337 2.050 20 10 CECDRO CC[C@H]([NH2+]Cc1cnnn1CC)c1ccccc1O ZINC000838913706 644067004 /nfs/dbraw/zinc/06/70/04/644067004.db2.gz WQGBWLIOMOVIMN-ZDUSSCGKSA-N 1 0 260.341 2.245 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)cc1OC ZINC000839147527 644158117 /nfs/dbraw/zinc/15/81/17/644158117.db2.gz LZCKTBYXOMCYTQ-BETUJISGSA-N 1 0 295.379 2.455 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH+]2CC(CCO)C2)cc1 ZINC000839137051 644171144 /nfs/dbraw/zinc/17/11/44/644171144.db2.gz XPGOGZLDWLPULA-ONEGZZNKSA-N 1 0 260.381 2.080 20 10 CECDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H](C)c1ccccc1O ZINC000877755643 650899285 /nfs/dbraw/zinc/89/92/85/650899285.db2.gz JNEJWZZLYUNATF-UPJWGTAASA-N 1 0 276.380 2.490 20 10 CECDRO COc1nccnc1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758019 650900325 /nfs/dbraw/zinc/90/03/25/650900325.db2.gz DGLVFSQEHQPODU-JTQLQIEISA-N 1 0 259.309 2.042 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(C(N)=O)cc2)c1 ZINC000113313316 644332970 /nfs/dbraw/zinc/33/29/70/644332970.db2.gz IZYRVZSDFNLPAP-UHFFFAOYSA-N 1 0 270.332 2.089 20 10 CECDRO COc1cc(C)cc(CN2CCC[C@@H]([NH+](C)C)C2)c1O ZINC000754732638 644422183 /nfs/dbraw/zinc/42/21/83/644422183.db2.gz RNMRLJYHZFLJBX-CQSZACIVSA-N 1 0 278.396 2.235 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@]2(C)CCCO2)c(O)c1 ZINC000756133690 644609026 /nfs/dbraw/zinc/60/90/26/644609026.db2.gz BHJJISQVTPLHGI-HNNXBMFYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2cnccn2)c1 ZINC000756493450 644655251 /nfs/dbraw/zinc/65/52/51/644655251.db2.gz FBIBUSJDCNPMLP-VXGBXAGGSA-N 1 0 287.363 2.473 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOC[C@H]2CCOC2)c1 ZINC000756564204 644667803 /nfs/dbraw/zinc/66/78/03/644667803.db2.gz RIQGVGMXKVXKRW-KBPBESRZSA-N 1 0 279.380 2.404 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOC[C@@H]2CCOC2)c1 ZINC000756565806 644668756 /nfs/dbraw/zinc/66/87/56/644668756.db2.gz YTBTVPNPRKDUOP-CHWSQXEVSA-N 1 0 295.379 2.105 20 10 CECDRO C[C@@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(=O)N(C)C ZINC000756737709 644688302 /nfs/dbraw/zinc/68/83/02/644688302.db2.gz YHBUYEVPZBZECC-IQJOONFLSA-N 1 0 280.343 2.146 20 10 CECDRO C[C@@H]([NH2+][C@H](CCO)C1CC1)c1cc(F)ccc1O ZINC000756740708 644688456 /nfs/dbraw/zinc/68/84/56/644688456.db2.gz SSJFWUKMVCHBSS-NOZJJQNGSA-N 1 0 253.317 2.343 20 10 CECDRO COC(=O)N1CC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756757809 644689597 /nfs/dbraw/zinc/68/95/97/644689597.db2.gz DPYHNOBYUDUHCY-LDYMZIIASA-N 1 0 294.326 2.120 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CCN2CCC2)c2c1c(F)ccc2O ZINC000756769928 644690365 /nfs/dbraw/zinc/69/03/65/644690365.db2.gz RVRHNZKEOVTUJO-ZYHUDNBSSA-N 1 0 264.344 2.375 20 10 CECDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000839672808 644779905 /nfs/dbraw/zinc/77/99/05/644779905.db2.gz HOXTWIPCUQONJA-DZGCQCFKSA-N 1 0 262.397 2.345 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c1 ZINC000857061143 644806612 /nfs/dbraw/zinc/80/66/12/644806612.db2.gz KPPBDYZPACLYJW-TZMCWYRMSA-N 1 0 279.380 2.241 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1CO ZINC000857061446 644806656 /nfs/dbraw/zinc/80/66/56/644806656.db2.gz QWDRKKYJFSCVDX-ZYHUDNBSSA-N 1 0 269.772 2.496 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1ccccc1O ZINC000857068528 644808979 /nfs/dbraw/zinc/80/89/79/644808979.db2.gz YASQDKHONMHTNM-TZMCWYRMSA-N 1 0 262.353 2.054 20 10 CECDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000757708298 644838837 /nfs/dbraw/zinc/83/88/37/644838837.db2.gz XIFJWPXWXXECMG-CXAGYDPISA-N 1 0 273.424 2.325 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCOC[C@H]2OCC)c1 ZINC000759173898 644992338 /nfs/dbraw/zinc/99/23/38/644992338.db2.gz QOOBGJYEYIMGNQ-GOEBONIOSA-N 1 0 295.379 2.075 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCOC2)cc1F ZINC000858093997 645058924 /nfs/dbraw/zinc/05/89/24/645058924.db2.gz JGQRXXBBZPTFBJ-SNVBAGLBSA-N 1 0 270.323 2.157 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cn(C(C)C)nn2)c1 ZINC000858238780 645096024 /nfs/dbraw/zinc/09/60/24/645096024.db2.gz CWKMXVMFJVUOSR-UHFFFAOYSA-N 1 0 260.341 2.163 20 10 CECDRO C/C=C\C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000858290977 645108586 /nfs/dbraw/zinc/10/85/86/645108586.db2.gz LCXBJXZEXVSRRA-IHWYPQMZSA-N 1 0 264.344 2.328 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2ccc[nH]c2=O)c(O)c1 ZINC000858304415 645111556 /nfs/dbraw/zinc/11/15/56/645111556.db2.gz RKAVLAOFHRFNCU-UHFFFAOYSA-N 1 0 274.320 2.181 20 10 CECDRO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(Cl)cc1O ZINC000858435818 645158969 /nfs/dbraw/zinc/15/89/69/645158969.db2.gz UMFDFNHPJRQPII-CABZTGNLSA-N 1 0 295.770 2.163 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c(O)c1 ZINC000760452382 645159295 /nfs/dbraw/zinc/15/92/95/645159295.db2.gz XUCNQQUWTUIBDK-LBPRGKRZSA-N 1 0 293.285 2.194 20 10 CECDRO CCC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)COC1 ZINC000761963266 645342882 /nfs/dbraw/zinc/34/28/82/645342882.db2.gz DFXZFDDMMUSORY-UHFFFAOYSA-N 1 0 266.360 2.408 20 10 CECDRO COC(=O)CCCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000859233283 645432044 /nfs/dbraw/zinc/43/20/44/645432044.db2.gz PZDPUOTUFBTSFW-LLVKDONJSA-N 1 0 281.352 2.395 20 10 CECDRO COC(=O)CCCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000859233284 645432136 /nfs/dbraw/zinc/43/21/36/645432136.db2.gz PZDPUOTUFBTSFW-NSHDSACASA-N 1 0 281.352 2.395 20 10 CECDRO COc1cncc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000859257421 645438519 /nfs/dbraw/zinc/43/85/19/645438519.db2.gz AYXGUFQPNFMWAV-GFCCVEGCSA-N 1 0 286.379 2.402 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC3(CC3)C(=O)O2)c1 ZINC000763728033 645571094 /nfs/dbraw/zinc/57/10/94/645571094.db2.gz CSJPBDWZCJZSBX-ZYHUDNBSSA-N 1 0 291.347 2.147 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCc3ccccc3C1)[C@H](O)CO2 ZINC000768437754 646122964 /nfs/dbraw/zinc/12/29/64/646122964.db2.gz FXOCUWCPZVTGIE-QGZVFWFLSA-N 1 0 297.354 2.376 20 10 CECDRO Oc1cc2c(cc1C[NH+](CC1CC1)CC1CC1)[C@@H](O)CO2 ZINC000768448768 646124111 /nfs/dbraw/zinc/12/41/11/646124111.db2.gz WKZNIDRAQKINMG-INIZCTEOSA-N 1 0 289.375 2.440 20 10 CECDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768449525 646124896 /nfs/dbraw/zinc/12/48/96/646124896.db2.gz ZYNGKLINLGQFKY-BFVZDQMLSA-N 1 0 263.337 2.048 20 10 CECDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768449533 646125559 /nfs/dbraw/zinc/12/55/59/646125559.db2.gz ZYNGKLINLGQFKY-RULNRJAQSA-N 1 0 263.337 2.048 20 10 CECDRO C[N@H+](CCOC(C)(C)C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768463751 646126722 /nfs/dbraw/zinc/12/67/22/646126722.db2.gz WPEPGTJBPQKSGY-AWEZNQCLSA-N 1 0 295.379 2.065 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCS1 ZINC000768465618 646128425 /nfs/dbraw/zinc/12/84/25/646128425.db2.gz JCRAVYHGFYBPGT-FZMZJTMJSA-N 1 0 295.404 2.145 20 10 CECDRO CCOc1ccc(CN2CC[NH+](CC3CC3)CC2)c(O)c1 ZINC000768775342 646163127 /nfs/dbraw/zinc/16/31/27/646163127.db2.gz ZNXQEQQABFMFHO-UHFFFAOYSA-N 1 0 290.407 2.319 20 10 CECDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)Cc1ccccc1O ZINC000769281466 646235652 /nfs/dbraw/zinc/23/56/52/646235652.db2.gz DJJBKWJCIIGVAH-BETUJISGSA-N 1 0 276.380 2.223 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](OC)C2)c1 ZINC000769447758 646266830 /nfs/dbraw/zinc/26/68/30/646266830.db2.gz XGDOLRAGCGZXBK-CYBMUJFWSA-N 1 0 251.326 2.012 20 10 CECDRO CCC[N@H+](CCO)Cc1c(O)cccc1Br ZINC000862213813 646364548 /nfs/dbraw/zinc/36/45/48/646364548.db2.gz VQWQTFDNGFASLD-UHFFFAOYSA-N 1 0 288.185 2.359 20 10 CECDRO CC[N@H+](CCCO)Cc1c(O)cccc1Br ZINC000862248739 646380569 /nfs/dbraw/zinc/38/05/69/646380569.db2.gz QQQBMCXRIWAVMV-UHFFFAOYSA-N 1 0 288.185 2.359 20 10 CECDRO Oc1cccc(Br)c1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000862415272 646448920 /nfs/dbraw/zinc/44/89/20/646448920.db2.gz BDDMHCOUQWXYOC-TVQRCGJNSA-N 1 0 298.180 2.111 20 10 CECDRO C[C@@H](O)C1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862418798 646452309 /nfs/dbraw/zinc/45/23/09/646452309.db2.gz LSJSPHLQQTWCJR-SECBINFHSA-N 1 0 270.323 2.034 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@]1(C)CO ZINC000862418025 646452386 /nfs/dbraw/zinc/45/23/86/646452386.db2.gz KCLMVKZOZUOQNN-BZNIZROVSA-N 1 0 298.377 2.481 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c1O ZINC000862428627 646456644 /nfs/dbraw/zinc/45/66/44/646456644.db2.gz SQRVBBFTCKPZGY-CYBMUJFWSA-N 1 0 296.798 2.407 20 10 CECDRO C[N@H+](Cc1cc2c(cc1O)CCC2)CC1(C)COC1 ZINC000863299708 646699008 /nfs/dbraw/zinc/69/90/08/646699008.db2.gz RPJHTRUYEDBBOX-UHFFFAOYSA-N 1 0 261.365 2.349 20 10 CECDRO CCN(C)c1ccc(C[NH+]2CCC(C(=O)NC)CC2)cc1 ZINC000773735206 646771082 /nfs/dbraw/zinc/77/10/82/646771082.db2.gz YRWFKQBUWVHGPS-UHFFFAOYSA-N 1 0 289.423 2.101 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCSC[C@H]2CO)cc1 ZINC000773810865 646776526 /nfs/dbraw/zinc/77/65/26/646776526.db2.gz CKLRFYZHOLFQBR-OAHLLOKOSA-N 1 0 280.437 2.052 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)C2)cc1 ZINC000773822308 646777669 /nfs/dbraw/zinc/77/76/69/646777669.db2.gz UNLWISYFEIZJFK-INIZCTEOSA-N 1 0 262.397 2.490 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)CC2(O)CCC2)cc1 ZINC000773843718 646780031 /nfs/dbraw/zinc/78/00/31/646780031.db2.gz DKCRDLWPQIHVHW-UHFFFAOYSA-N 1 0 262.397 2.490 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CO)C(C)(C)C)c(O)c1 ZINC000775198756 646929605 /nfs/dbraw/zinc/92/96/05/646929605.db2.gz FOTDUFSNJLOHFO-AWEZNQCLSA-N 1 0 267.369 2.288 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)n(C)n2)c1 ZINC000775370428 646946585 /nfs/dbraw/zinc/94/65/85/646946585.db2.gz NDMUZGDSVYZPFX-LLVKDONJSA-N 1 0 275.352 2.294 20 10 CECDRO CC[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccccc1O ZINC000775522150 646962803 /nfs/dbraw/zinc/96/28/03/646962803.db2.gz KNJGDWIIFJQDQZ-AWEZNQCLSA-N 1 0 297.420 2.258 20 10 CECDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CN(C)CCO1)c1ccccc1O ZINC000775522021 646963035 /nfs/dbraw/zinc/96/30/35/646963035.db2.gz HMRPHOBZEAUHGV-INWMFGNUSA-N 1 0 278.396 2.152 20 10 CECDRO C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C[N@@H+]1C ZINC000775983109 647013779 /nfs/dbraw/zinc/01/37/79/647013779.db2.gz BCEMKENWEYEHSW-OLZOCXBDSA-N 1 0 279.403 2.416 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)c(O)c1 ZINC000775987885 647014573 /nfs/dbraw/zinc/01/45/73/647014573.db2.gz WVMPTMHZJYPARV-QWHCGFSZSA-N 1 0 278.396 2.315 20 10 CECDRO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1O ZINC000776000790 647015056 /nfs/dbraw/zinc/01/50/56/647015056.db2.gz NPSCOCLQEKDHNZ-DGCLKSJQSA-N 1 0 263.337 2.166 20 10 CECDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000864470518 647023980 /nfs/dbraw/zinc/02/39/80/647023980.db2.gz ZWHFVUORCSGADH-XCBNKYQSSA-N 1 0 253.733 2.068 20 10 CECDRO Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000777219782 647121770 /nfs/dbraw/zinc/12/17/70/647121770.db2.gz NCAYJAQHLRNCOJ-LBPRGKRZSA-N 1 0 278.396 2.436 20 10 CECDRO CCOc1cccc(C[NH2+]C2(CC(=O)OC)CCC2)c1O ZINC000777439293 647136788 /nfs/dbraw/zinc/13/67/88/647136788.db2.gz CORUCZKJLNSJAQ-UHFFFAOYSA-N 1 0 293.363 2.366 20 10 CECDRO CC(C)(C)CC(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000778996065 647280404 /nfs/dbraw/zinc/28/04/04/647280404.db2.gz LMVZDMBOXXWXGC-UHFFFAOYSA-N 1 0 290.407 2.473 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CC[C@H](O)C(F)F)cc1F ZINC000865687644 647423033 /nfs/dbraw/zinc/42/30/33/647423033.db2.gz ISUBOZMELZKAHW-LBPRGKRZSA-N 1 0 294.292 2.137 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)c2ccnn2C)c1 ZINC000865838995 647485720 /nfs/dbraw/zinc/48/57/20/647485720.db2.gz GAZMAONVWFUCGM-LLVKDONJSA-N 1 0 275.352 2.375 20 10 CECDRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccccc1O ZINC000783507886 647723081 /nfs/dbraw/zinc/72/30/81/647723081.db2.gz CAIDFDZUUADXNL-QWHCGFSZSA-N 1 0 265.353 2.096 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c1 ZINC000783737106 647754773 /nfs/dbraw/zinc/75/47/73/647754773.db2.gz JUPHUWUHWNKMRO-SDDRHHMPSA-N 1 0 265.353 2.399 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c1O ZINC000783738382 647754999 /nfs/dbraw/zinc/75/49/99/647754999.db2.gz SYLMFSYUQAUFJL-TUAOUCFPSA-N 1 0 265.353 2.399 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]3[NH2+]CC[C@@H]32)c1O ZINC000866721378 647881861 /nfs/dbraw/zinc/88/18/61/647881861.db2.gz VRLWDTSXWVHHDY-CABCVRRESA-N 1 0 292.354 2.060 20 10 CECDRO CC[C@@H]([NH2+]Cc1ncnn1CC)c1ccccc1O ZINC000785789924 647957817 /nfs/dbraw/zinc/95/78/17/647957817.db2.gz WHTXPWIOOJAIRW-GFCCVEGCSA-N 1 0 260.341 2.245 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)[C@H]1C ZINC000787247282 648090231 /nfs/dbraw/zinc/09/02/31/648090231.db2.gz SOBTUBHZQVQKGT-GXTWGEPZSA-N 1 0 277.364 2.392 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)[C@H]1C ZINC000787420921 648107618 /nfs/dbraw/zinc/10/76/18/648107618.db2.gz NEKGHHDINHGEJG-WCQYABFASA-N 1 0 263.337 2.084 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CCOC(C)C)c1 ZINC000788276744 648168827 /nfs/dbraw/zinc/16/88/27/648168827.db2.gz UYANTEQZFMHQDV-QWHCGFSZSA-N 1 0 297.395 2.227 20 10 CECDRO CCOc1ccc(C[NH2+]CCOC(F)(F)F)c(O)c1 ZINC000788968444 648238733 /nfs/dbraw/zinc/23/87/33/648238733.db2.gz WTUACSOATJVHQD-UHFFFAOYSA-N 1 0 279.258 2.417 20 10 CECDRO C[C@@H]1CCSCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000790477321 648421476 /nfs/dbraw/zinc/42/14/76/648421476.db2.gz JILOWLYIWHWMBC-QMTHXVAHSA-N 1 0 295.404 2.145 20 10 CECDRO Cc1cccc(C[NH2+]C(C)(C)C(=O)N2CCCC2)c1O ZINC000793396043 648750524 /nfs/dbraw/zinc/75/05/24/648750524.db2.gz SUYSZCGWWJNDDT-UHFFFAOYSA-N 1 0 276.380 2.191 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC000870875697 648940636 /nfs/dbraw/zinc/94/06/36/648940636.db2.gz HQTRXICQWOBULK-JOCQHMNTSA-N 1 0 293.386 2.025 20 10 CECDRO C[C@@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccccc1O ZINC000870988279 648971229 /nfs/dbraw/zinc/97/12/29/648971229.db2.gz LEGXVUSLORCYRP-WBMJQRKESA-N 1 0 296.370 2.456 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1O ZINC000872253011 649329940 /nfs/dbraw/zinc/32/99/40/649329940.db2.gz YHOWWHNGLLJLPI-ZDUSSCGKSA-N 1 0 278.396 2.269 20 10 CECDRO c1cc(N2CCCCC2)ccc1CN1CC[NH2+]CC1 ZINC000019726889 649505483 /nfs/dbraw/zinc/50/54/83/649505483.db2.gz AEYILIHOKFBOFZ-UHFFFAOYSA-N 1 0 259.397 2.082 20 10 CECDRO CCCOc1ccc(C[NH2+]CCCC(=O)NC)cc1C ZINC000873027554 649535627 /nfs/dbraw/zinc/53/56/27/649535627.db2.gz PQHAAEIOESMNQG-UHFFFAOYSA-N 1 0 278.396 2.400 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@H]2CNC(=O)C2)cc1C ZINC000873131709 649565671 /nfs/dbraw/zinc/56/56/71/649565671.db2.gz XOPIAAWWESFPBD-CQSZACIVSA-N 1 0 276.380 2.010 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC[C@@H]2CCOC2=O)cc1F ZINC000873161427 649575576 /nfs/dbraw/zinc/57/55/76/649575576.db2.gz QOUAZXQUUOMGBB-CYBMUJFWSA-N 1 0 294.370 2.325 20 10 CECDRO CC[C@@H]1COCCN1CC[NH2+]Cc1c(O)cccc1Cl ZINC000873187849 649582205 /nfs/dbraw/zinc/58/22/05/649582205.db2.gz BGPZUSJOWZQMBC-GFCCVEGCSA-N 1 0 298.814 2.246 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)c2nccnc2C)c1O ZINC000873188491 649582835 /nfs/dbraw/zinc/58/28/35/649582835.db2.gz IQFVTWLUWQXRRR-LLVKDONJSA-N 1 0 273.336 2.350 20 10 CECDRO CC[C@@H]1COCCN1CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000873189475 649582900 /nfs/dbraw/zinc/58/29/00/649582900.db2.gz UAZUNONHKPSUQB-MRXNPFEDSA-N 1 0 292.423 2.204 20 10 CECDRO CCOc1cccc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230015 649601624 /nfs/dbraw/zinc/60/16/24/649601624.db2.gz KWGDYYVHESDAQA-GOEBONIOSA-N 1 0 276.380 2.165 20 10 CECDRO Cc1cccc(C[NH2+]CCOCC(F)(F)F)c1O ZINC000124681159 649726038 /nfs/dbraw/zinc/72/60/38/649726038.db2.gz TVZRCVYUETTZTK-UHFFFAOYSA-N 1 0 263.259 2.369 20 10 CECDRO CC(=O)c1cc(F)cc(CN(C)Cc2c[nH]nc2C)c1O ZINC000879186552 651257026 /nfs/dbraw/zinc/25/70/26/651257026.db2.gz MBQZCQGJTJPUEN-UHFFFAOYSA-N 1 0 291.326 2.397 20 10 CECDRO C[C@@H]([NH2+]CCCc1cncn1C)c1ccccc1O ZINC000879649597 651335284 /nfs/dbraw/zinc/33/52/84/651335284.db2.gz XBWNKWZCGWPVLS-GFCCVEGCSA-N 1 0 259.353 2.409 20 10 CECDRO CCc1cc(=O)[nH]c(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000879648810 651335437 /nfs/dbraw/zinc/33/54/37/651335437.db2.gz AMRKPXSOSSMXSA-SNVBAGLBSA-N 1 0 273.336 2.301 20 10 CECDRO C[C@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)c1ccccc1O ZINC000879651993 651336083 /nfs/dbraw/zinc/33/60/83/651336083.db2.gz SJVNHSIQWOFTHG-STQMWFEESA-N 1 0 276.380 2.444 20 10 CECDRO CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879653341 651336140 /nfs/dbraw/zinc/33/61/40/651336140.db2.gz OJJGDLXXJCJBLO-RYUDHWBXSA-N 1 0 264.369 2.204 20 10 CECDRO C[C@H](CC[NH2+]Cc1c(O)cccc1Cl)[S@](C)=O ZINC000129391379 651937193 /nfs/dbraw/zinc/93/71/93/651937193.db2.gz RDJFLVPVJHTQEE-VVVCHXIZSA-N 1 0 275.801 2.292 20 10 CECDRO COc1cccc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1O ZINC000130008671 652202746 /nfs/dbraw/zinc/20/27/46/652202746.db2.gz HMWWVZCWHQNRGI-GFCCVEGCSA-N 1 0 277.364 2.402 20 10 CECDRO C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000131144815 652386436 /nfs/dbraw/zinc/38/64/36/652386436.db2.gz MCAAHHGIKMRZHN-NEPJUHHUSA-N 1 0 298.814 2.208 20 10 CECDRO O=C1OCC[C@H]1CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883203266 652399218 /nfs/dbraw/zinc/39/92/18/652399218.db2.gz XQGQUWYFSOUAHN-SECBINFHSA-N 1 0 285.290 2.103 20 10 CECDRO C[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ncc[nH]1 ZINC000883290201 652424355 /nfs/dbraw/zinc/42/43/55/652424355.db2.gz NWZCPBSUWYIATI-AWEZNQCLSA-N 1 0 299.422 2.012 20 10 CECDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1cc(Cl)ccc1O ZINC000131512439 652431888 /nfs/dbraw/zinc/43/18/88/652431888.db2.gz VEINKGLCXFLPLA-JOYOIKCWSA-N 1 0 254.761 2.357 20 10 CECDRO C[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1cc(F)ccc1O ZINC000883395357 652454154 /nfs/dbraw/zinc/45/41/54/652454154.db2.gz RWIMCRKRFMBPEH-GWCFXTLKSA-N 1 0 292.354 2.193 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c1 ZINC000883394781 652454388 /nfs/dbraw/zinc/45/43/88/652454388.db2.gz GWGSEXBJCWQUCG-JSGCOSHPSA-N 1 0 288.391 2.362 20 10 CECDRO Cc1cc(Br)cc(C[NH2+]CC(C)(C)O)c1O ZINC000133193249 652610967 /nfs/dbraw/zinc/61/09/67/652610967.db2.gz ZAXJBEOJJVFPMK-UHFFFAOYSA-N 1 0 288.185 2.324 20 10 CECDRO CC1CC([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000135562765 652973401 /nfs/dbraw/zinc/97/34/01/652973401.db2.gz VXTWBIZJDMTQOQ-UHFFFAOYSA-N 1 0 260.381 2.411 20 10 CECDRO CCC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001270871191 805633945 /nfs/dbraw/zinc/63/39/45/805633945.db2.gz RBKVSUPGDORZGH-CYBMUJFWSA-N 1 0 278.396 2.350 20 10 CECDRO [NH3+][C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1F ZINC001204820662 806308856 /nfs/dbraw/zinc/30/88/56/806308856.db2.gz UKIBOYDIPWTCGN-CVEARBPZSA-N 1 0 277.387 2.158 20 10 CECDRO CC1CCC([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC1 ZINC001168193079 806395735 /nfs/dbraw/zinc/39/57/35/806395735.db2.gz MHHDQZXANQRSAA-MBRGGSNBSA-N 1 0 265.353 2.300 20 10 CECDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1c(O)cccc1Cl ZINC001209873903 802583221 /nfs/dbraw/zinc/58/32/21/802583221.db2.gz GZTJQYAXYMROGL-AOOOYVTPSA-N 1 0 254.761 2.228 20 10 CECDRO C[C@@H]1CCN(Cc2c(O)cccc2Br)C[C@@H]1[NH3+] ZINC000706861328 802847115 /nfs/dbraw/zinc/84/71/15/802847115.db2.gz JFUIFWKZONXGBE-SKDRFNHKSA-N 1 0 299.212 2.324 20 10 CECDRO CC[C@H]([NH2+][C@@H]1COCC[C@H]1OC)c1ccccc1O ZINC000724874435 803328931 /nfs/dbraw/zinc/32/89/31/803328931.db2.gz VSUWSLYTUGFRPD-GZBFAFLISA-N 1 0 265.353 2.237 20 10 CECDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2C)cc1C ZINC001267342907 803389976 /nfs/dbraw/zinc/38/99/76/803389976.db2.gz HCEOACNRFPWYOW-IUODEOHRSA-N 1 0 290.407 2.208 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@]2(C)OC)c1O ZINC000694427341 803552744 /nfs/dbraw/zinc/55/27/44/803552744.db2.gz DLGOUOQIUACQQI-YPMHNXCESA-N 1 0 271.744 2.321 20 10 CECDRO Oc1cc2c(cc1O)C[N@H+](C[C@@H]1CCCOC1)CCC2 ZINC001207471870 803720990 /nfs/dbraw/zinc/72/09/90/803720990.db2.gz WIDZXGMKCGHMPO-LBPRGKRZSA-N 1 0 277.364 2.273 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c1O ZINC000686510845 803876525 /nfs/dbraw/zinc/87/65/25/803876525.db2.gz IESWMSOBPVMVEN-GVXVVHGQSA-N 1 0 265.353 2.304 20 10 CECDRO C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccccc1O ZINC000692808911 803927306 /nfs/dbraw/zinc/92/73/06/803927306.db2.gz UAHAHJLBLFRKQR-GFCCVEGCSA-N 1 0 297.420 2.258 20 10 CECDRO CC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000037138521 815026689 /nfs/dbraw/zinc/02/66/89/815026689.db2.gz RXJZIGFOENZNCX-LBPRGKRZSA-N 1 0 276.380 2.362 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)[C@@H](C)O)cc1 ZINC000387040622 805336593 /nfs/dbraw/zinc/33/65/93/805336593.db2.gz RPPRNDISVDOUGQ-QWHCGFSZSA-N 1 0 250.386 2.392 20 10 CECDRO CN(C)c1ccc(CN2CC(C)([NH3+])C2)c2ccccc21 ZINC001204966048 805444034 /nfs/dbraw/zinc/44/40/34/805444034.db2.gz OFRHFVIUCSSKFX-UHFFFAOYSA-N 1 0 269.392 2.439 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)C2(CO)CC2)c1O ZINC000696078175 807136329 /nfs/dbraw/zinc/13/63/29/807136329.db2.gz DVAWCAGGGILQAL-SECBINFHSA-N 1 0 285.771 2.305 20 10 CECDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232261025 807238943 /nfs/dbraw/zinc/23/89/43/807238943.db2.gz VGIDFFWVSFEFPQ-JTQLQIEISA-N 1 0 271.744 2.362 20 10 CECDRO CCN(CC[NH2+]C)Cc1ccc(N(CC)CC)cc1O ZINC001236142251 807995745 /nfs/dbraw/zinc/99/57/45/807995745.db2.gz BJQWKIQXZVYLSG-UHFFFAOYSA-N 1 0 279.428 2.280 20 10 CECDRO c1cn2c(n1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000922016949 809011646 /nfs/dbraw/zinc/01/16/46/809011646.db2.gz KNUQICHLBJUCPC-HNNXBMFYSA-N 1 0 283.375 2.313 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CCCCO1 ZINC000700806706 809355594 /nfs/dbraw/zinc/35/55/94/809355594.db2.gz BJMRUZGABMSCEF-OAHLLOKOSA-N 1 0 260.381 2.467 20 10 CECDRO CCc1cccc(C[NH2+]CCCC(=O)NC2CC2)c1O ZINC000709404631 809961398 /nfs/dbraw/zinc/96/13/98/809961398.db2.gz BFYWMYFVPYULCG-UHFFFAOYSA-N 1 0 276.380 2.103 20 10 CECDRO CC[C@@H](C)OCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172318213 815369012 /nfs/dbraw/zinc/36/90/12/815369012.db2.gz IACTWOUZRHVTEB-HSMVNMDESA-N 1 0 297.395 2.315 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCCO2)c1O ZINC000379238196 810689449 /nfs/dbraw/zinc/68/94/49/810689449.db2.gz UPQMCZCBJOEORJ-AAEUAGOBSA-N 1 0 265.353 2.448 20 10 CECDRO C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC001122257890 815397417 /nfs/dbraw/zinc/39/74/17/815397417.db2.gz FDOZRCXZWCDYET-ABAIWWIYSA-N 1 0 280.343 2.055 20 10 CECDRO C[C@@H]([NH2+]CCCn1cncn1)c1ccc(N(C)C)cc1 ZINC000381798135 810970235 /nfs/dbraw/zinc/97/02/35/810970235.db2.gz PEJSORKMPLNQDU-CYBMUJFWSA-N 1 0 273.384 2.085 20 10 CECDRO COCCC[NH2+]Cc1ccc(Br)cc1O ZINC000691418330 811104740 /nfs/dbraw/zinc/10/47/40/811104740.db2.gz ZTBFVRGWGNLVCR-UHFFFAOYSA-N 1 0 274.158 2.281 20 10 CECDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001172592637 815467010 /nfs/dbraw/zinc/46/70/10/815467010.db2.gz ISXKESIMGILRIC-LSDHHAIUSA-N 1 0 289.375 2.443 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000691464448 811897783 /nfs/dbraw/zinc/89/77/83/811897783.db2.gz RCQJYNIZBRGBRL-DOMZBBRYSA-N 1 0 263.337 2.058 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c(O)c1 ZINC000384541761 812429729 /nfs/dbraw/zinc/42/97/29/812429729.db2.gz FAFGOTCUDYTRMO-GBIKHYSHSA-N 1 0 251.326 2.056 20 10 CECDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001172924079 815546930 /nfs/dbraw/zinc/54/69/30/815546930.db2.gz REIQKYWBIPHPQS-VXGBXAGGSA-N 1 0 251.326 2.145 20 10 CECDRO CC1(C)[C@@H]2C[C@H]([NH2+]CCc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001170721642 813195078 /nfs/dbraw/zinc/19/50/78/813195078.db2.gz XVYQGPDRVHHKTK-ZSBIGDGJSA-N 1 0 277.364 2.370 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c(O)c1 ZINC000389071618 813247201 /nfs/dbraw/zinc/24/72/01/813247201.db2.gz MINGBMOHPYURNX-DGCLKSJQSA-N 1 0 265.353 2.306 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CS[C@@H](C)C2)c1 ZINC000397962971 813649911 /nfs/dbraw/zinc/64/99/11/813649911.db2.gz ISFXLPLUKNATKP-ONGXEEELSA-N 1 0 253.367 2.384 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c1O ZINC000398174453 813660697 /nfs/dbraw/zinc/66/06/97/813660697.db2.gz VJEYAUXHGJBKFV-ZYHUDNBSSA-N 1 0 251.326 2.058 20 10 CECDRO COCC[N@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144299525 814020801 /nfs/dbraw/zinc/02/08/01/814020801.db2.gz ZSNXJDPIBBFRNA-UHFFFAOYSA-N 1 0 292.148 2.372 20 10 CECDRO O=C1CC[N@@H+](Cc2c(O)cc(O)cc2O)[C@H]2CCCC[C@@H]12 ZINC001144500074 814089226 /nfs/dbraw/zinc/08/92/26/814089226.db2.gz OHLGQFLFEUXYAB-YPMHNXCESA-N 1 0 291.347 2.137 20 10 CECDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCC1(F)F ZINC001144500066 814090026 /nfs/dbraw/zinc/09/00/26/814090026.db2.gz ODSYFZZHBZACNB-MRVPVSSYSA-N 1 0 273.279 2.281 20 10 CECDRO C[N@@H+](Cc1c(O)cc(O)cc1O)C[C@@H]1CC1(C)C ZINC001144514625 814097863 /nfs/dbraw/zinc/09/78/63/814097863.db2.gz MIPXWAPBOQAAAS-VIFPVBQESA-N 1 0 251.326 2.281 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCOc3ccccc3C2)c(O)c1 ZINC001144509177 814098153 /nfs/dbraw/zinc/09/81/53/814098153.db2.gz NYDYYYZKIMJLQW-UHFFFAOYSA-N 1 0 287.315 2.198 20 10 CECDRO CC[NH+]1CCC(C(=O)NCc2c(C)cc(C)cc2O)CC1 ZINC001146793237 814327099 /nfs/dbraw/zinc/32/70/99/814327099.db2.gz ZGAPQAHQSMKQGX-UHFFFAOYSA-N 1 0 290.407 2.357 20 10 CECDRO CCN1CC[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000712608886 814758118 /nfs/dbraw/zinc/75/81/18/814758118.db2.gz UHEVMKXCQGNHDE-LBPRGKRZSA-N 1 0 299.212 2.339 20 10 CECDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCc1ccccc1O ZINC000713069271 814843407 /nfs/dbraw/zinc/84/34/07/814843407.db2.gz CVALTBZSUXHINL-CYBMUJFWSA-N 1 0 264.369 2.018 20 10 CECDRO C[N@@H+](Cc1c([O-])cccc1F)CC1CC[NH+](C)CC1 ZINC001137837857 815692225 /nfs/dbraw/zinc/69/22/25/815692225.db2.gz XISBWHULICMODR-UHFFFAOYSA-N 1 0 266.360 2.305 20 10 CECDRO COC[C@@H]1C[N@H+](Cc2c(C)n(C)c3ccccc32)CCO1 ZINC001138257889 815757009 /nfs/dbraw/zinc/75/70/09/815757009.db2.gz BWEIYNBVAXOGOR-AWEZNQCLSA-N 1 0 288.391 2.334 20 10 CECDRO CCOC(=O)C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001173634981 815773930 /nfs/dbraw/zinc/77/39/30/815773930.db2.gz HYMPKCVAACGLBB-AAEUAGOBSA-N 1 0 293.363 2.309 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CC[C@@]34CCOC4)ccc21 ZINC001138358985 815775223 /nfs/dbraw/zinc/77/52/23/815775223.db2.gz GFIREDUIGOUUEW-KRWDZBQOSA-N 1 0 272.392 2.434 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCC[C@H]3CO)ccc21 ZINC001138354690 815775259 /nfs/dbraw/zinc/77/52/59/815775259.db2.gz QAARGKNVIQKZDX-HNNXBMFYSA-N 1 0 260.381 2.026 20 10 CECDRO COc1cc(CN2C[C@H](F)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139253486 815997035 /nfs/dbraw/zinc/99/70/35/815997035.db2.gz VSPCPTGWKYNRAB-BXUZGUMPSA-N 1 0 296.386 2.395 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001140058448 816180918 /nfs/dbraw/zinc/18/09/18/816180918.db2.gz ZUXLTNMCBXTDCB-CQSZACIVSA-N 1 0 271.307 2.218 20 10 CECDRO CC(C)[C@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140058940 816181228 /nfs/dbraw/zinc/18/12/28/816181228.db2.gz PZRMTOUSIKZVSZ-CYBMUJFWSA-N 1 0 253.317 2.388 20 10 CECDRO OC[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1C(F)(F)F ZINC001140058235 816181620 /nfs/dbraw/zinc/18/16/20/816181620.db2.gz WBAKXSLTXPFPEH-KOLCDFICSA-N 1 0 293.260 2.134 20 10 CECDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2c(O)cccc2Cl)C1 ZINC001140341918 816238824 /nfs/dbraw/zinc/23/88/24/816238824.db2.gz KYELBGYVKWHOJR-GFCCVEGCSA-N 1 0 296.798 2.488 20 10 CECDRO COC1C[C@@H]2COC[C@H](C1)N2Cc1c(O)cccc1Cl ZINC001140345160 816240143 /nfs/dbraw/zinc/24/01/43/816240143.db2.gz PTLOANKNJXGVAS-FOSCPWQOSA-N 1 0 297.782 2.424 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC3(CCC(=O)O3)CC2)c1 ZINC001140620949 816306231 /nfs/dbraw/zinc/30/62/31/816306231.db2.gz JKSONNDPDSVBLE-UHFFFAOYSA-N 1 0 275.348 2.372 20 10 CECDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(C)ccc1O)C2 ZINC001140622969 816307091 /nfs/dbraw/zinc/30/70/91/816307091.db2.gz JEKZOXBLHMKRAZ-YDHLFZDLSA-N 1 0 289.375 2.474 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC001140742237 816337686 /nfs/dbraw/zinc/33/76/86/816337686.db2.gz KZMQCXRXKJCIPL-DOMZBBRYSA-N 1 0 277.364 2.407 20 10 CECDRO CCCC[NH+]1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140745279 816341865 /nfs/dbraw/zinc/34/18/65/816341865.db2.gz CSUBGVFSUFEOMW-UHFFFAOYSA-N 1 0 278.396 2.324 20 10 CECDRO COC(=O)c1ccc(Nc2cc(C)[nH+]c(C)c2)c(O)c1 ZINC001176056533 816343495 /nfs/dbraw/zinc/34/34/95/816343495.db2.gz YPYKBXRTCXCGED-UHFFFAOYSA-N 1 0 272.304 2.356 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@]23CCOC3)c1O ZINC001140748366 816343854 /nfs/dbraw/zinc/34/38/54/816343854.db2.gz XFEPJLGQRJEJLW-OAHLLOKOSA-N 1 0 263.337 2.161 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1O ZINC001140751444 816344490 /nfs/dbraw/zinc/34/44/90/816344490.db2.gz WTIXJKRGLADZEA-AAEUAGOBSA-N 1 0 275.348 2.207 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C2COC2)c(O)c1 ZINC001140855396 816382230 /nfs/dbraw/zinc/38/22/30/816382230.db2.gz XPKRKXYZCKKFSY-UHFFFAOYSA-N 1 0 264.369 2.069 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC001140921454 816411054 /nfs/dbraw/zinc/41/10/54/816411054.db2.gz DLUYXNSAINBBOD-ZDUSSCGKSA-N 1 0 268.788 2.363 20 10 CECDRO Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1 ZINC001140950347 816422705 /nfs/dbraw/zinc/42/27/05/816422705.db2.gz ZAETYQAYOXBMOL-CQSZACIVSA-N 1 0 276.380 2.001 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@](C)(O)CC3)ccc21 ZINC001141139953 816484442 /nfs/dbraw/zinc/48/44/42/816484442.db2.gz FYCGTKNRUBXZAP-QGZVFWFLSA-N 1 0 290.407 2.252 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)[C@@H]1CO ZINC001141141080 816485945 /nfs/dbraw/zinc/48/59/45/816485945.db2.gz TWYMRPVOEDYWGZ-CZUORRHYSA-N 1 0 290.407 2.108 20 10 CECDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159460 816490382 /nfs/dbraw/zinc/49/03/82/816490382.db2.gz GUNNPLPLCJECDW-NSHDSACASA-N 1 0 293.363 2.261 20 10 CECDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141162364 816491927 /nfs/dbraw/zinc/49/19/27/816491927.db2.gz RBHWNSTUDMTNPH-CYBMUJFWSA-N 1 0 264.369 2.012 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC001141161243 816492328 /nfs/dbraw/zinc/49/23/28/816492328.db2.gz PVHYVLLJHTYQCS-HNNXBMFYSA-N 1 0 263.337 2.100 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C2(CO)CCSCC2)c1 ZINC000839176049 816566031 /nfs/dbraw/zinc/56/60/31/816566031.db2.gz FLPDRAFLACFILI-UHFFFAOYSA-N 1 0 297.420 2.139 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839192700 816567153 /nfs/dbraw/zinc/56/71/53/816567153.db2.gz PHACXDWWOZOXKJ-HOTGVXAUSA-N 1 0 290.432 2.213 20 10 CECDRO CCOc1cccc(CN2CCCC[C@](F)(C[NH3+])C2)c1O ZINC001206337962 816774912 /nfs/dbraw/zinc/77/49/12/816774912.db2.gz XHZBENQCAXNUGW-INIZCTEOSA-N 1 0 296.386 2.444 20 10 CECDRO CN1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143110949 816787532 /nfs/dbraw/zinc/78/75/32/816787532.db2.gz UBLKWRFJVPXYTG-UHFFFAOYSA-N 1 0 290.407 2.354 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206351656 816805098 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ZINC000171937406 367642624 /nfs/dbraw/zinc/64/26/24/367642624.db2.gz YDLASLMHDCAUCL-VXGBXAGGSA-N 1 0 264.369 2.127 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCC(=O)N(C)C)cc1 ZINC000178293085 368295930 /nfs/dbraw/zinc/29/59/30/368295930.db2.gz JQVBVBZUKRTLKB-CYBMUJFWSA-N 1 0 277.412 2.272 20 10 CECDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000179933124 368358149 /nfs/dbraw/zinc/35/81/49/368358149.db2.gz IQJHFZRCZAXGEH-ZDUSSCGKSA-N 1 0 296.342 2.242 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180567364 368386083 /nfs/dbraw/zinc/38/60/83/368386083.db2.gz HIWAFVUKBFARNF-OAHLLOKOSA-N 1 0 263.337 2.086 20 10 CECDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000184568990 368703967 /nfs/dbraw/zinc/70/39/67/368703967.db2.gz LMUCOYQKLYPMFG-NXEZZACHSA-N 1 0 269.316 2.209 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(F)ccc1O ZINC000186791617 369044664 /nfs/dbraw/zinc/04/46/64/369044664.db2.gz ONYUDSCKYKSCNW-GAJTVXKRSA-N 1 0 253.317 2.485 20 10 CECDRO Cc1cccc(C[NH2+]CCCCCS(C)(=O)=O)c1O ZINC000187693809 369204300 /nfs/dbraw/zinc/20/43/00/369204300.db2.gz FLSQACOMUJLXHA-UHFFFAOYSA-N 1 0 285.409 2.005 20 10 CECDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188107016 369297407 /nfs/dbraw/zinc/29/74/07/369297407.db2.gz MTIOLXGPGOMBSG-STQMWFEESA-N 1 0 296.386 2.348 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)OC)c1O ZINC000191202747 369690539 /nfs/dbraw/zinc/69/05/39/369690539.db2.gz AYDNESNGAVHYBV-MRVPVSSYSA-N 1 0 259.733 2.179 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCC[C@H](C)O)c1O ZINC000228091075 370396959 /nfs/dbraw/zinc/39/69/59/370396959.db2.gz JMVFAHZRTRRWIM-VIFPVBQESA-N 1 0 273.760 2.305 20 10 CECDRO Cc1cc(C)c2c(c1)N(C(=O)C1=CC[C@@H]([NH3+])C1)CCO2 ZINC000638391553 370494229 /nfs/dbraw/zinc/49/42/29/370494229.db2.gz SAMSRNZXHLPVBQ-CYBMUJFWSA-N 1 0 272.348 2.076 20 10 CECDRO CC[N@@H+]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000267437016 372073067 /nfs/dbraw/zinc/07/30/67/372073067.db2.gz AMKOCFWCKITIQT-UHFFFAOYSA-N 1 0 294.370 2.262 20 10 CECDRO c1cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc2c1OCC2 ZINC000367424001 373153665 /nfs/dbraw/zinc/15/36/65/373153665.db2.gz YFRGQFXHTSSFBZ-WBVHZDCISA-N 1 0 289.375 2.049 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@H](OC)C(C)C)cc1OC ZINC000271826405 373203166 /nfs/dbraw/zinc/20/31/66/373203166.db2.gz NWDXABYHVQLMSC-HNNXBMFYSA-N 1 0 283.368 2.170 20 10 CECDRO CCC[C@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000271872497 373204386 /nfs/dbraw/zinc/20/43/86/373204386.db2.gz NBDFVFCPWLSLBM-HNNXBMFYSA-N 1 0 283.368 2.050 20 10 CECDRO COC(=O)COc1ccc(N(C)CCCCCCO)cc1 ZINC000273082382 373745887 /nfs/dbraw/zinc/74/58/87/373745887.db2.gz LIGWAKZNPCFROC-UHFFFAOYSA-N 1 0 295.379 2.227 20 10 CECDRO C[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccccc1O ZINC000273213411 373749778 /nfs/dbraw/zinc/74/97/78/373749778.db2.gz GYYHMVOMIZCHPH-VIFPVBQESA-N 1 0 258.325 2.239 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273392031 373755903 /nfs/dbraw/zinc/75/59/03/373755903.db2.gz LBFPGJGANNTBTL-RYUDHWBXSA-N 1 0 290.407 2.446 20 10 CECDRO C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(F)ccc1O ZINC000273474359 373760439 /nfs/dbraw/zinc/76/04/39/373760439.db2.gz KLXITYVCECVMRE-LLVKDONJSA-N 1 0 264.344 2.444 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)C(C)(C)C)c1 ZINC000273591003 373766238 /nfs/dbraw/zinc/76/62/38/373766238.db2.gz PCVXIRXDQLJHAF-NSHDSACASA-N 1 0 294.395 2.214 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccccc1O ZINC000371684850 373947525 /nfs/dbraw/zinc/94/75/25/373947525.db2.gz HWDKZKIOBPISDL-PWSUYJOCSA-N 1 0 257.337 2.323 20 10 CECDRO C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)CC[S@]1=O ZINC000277647687 374592194 /nfs/dbraw/zinc/59/21/94/374592194.db2.gz OBSLSVISSMSDIC-MPBGBICISA-N 1 0 298.427 2.235 20 10 CECDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000374674045 374626274 /nfs/dbraw/zinc/62/62/74/374626274.db2.gz AHRYVVHMKYSFJA-CJNGLKHVSA-N 1 0 275.348 2.167 20 10 CECDRO CCCC[N@H+](CCOCCO)Cc1ccccc1O ZINC000282443845 375486101 /nfs/dbraw/zinc/48/61/01/375486101.db2.gz LCZKARVWIHDBQY-UHFFFAOYSA-N 1 0 267.369 2.003 20 10 CECDRO COCCCn1nccc1C[N@H+](C)Cc1ccccc1O ZINC000282852337 375596248 /nfs/dbraw/zinc/59/62/48/375596248.db2.gz SWEGJHBVJQFTOS-UHFFFAOYSA-N 1 0 289.379 2.257 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCNC(=O)C2CC2)c(O)c1 ZINC000285197959 375836745 /nfs/dbraw/zinc/83/67/45/375836745.db2.gz NZURBGWXEHWLNB-LBPRGKRZSA-N 1 0 276.380 2.186 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)OCCO)c(O)c1C ZINC000287413030 376226549 /nfs/dbraw/zinc/22/65/49/376226549.db2.gz RQTHNUNTEZSOIY-CYBMUJFWSA-N 1 0 281.396 2.447 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CCCCC[C@H]2O)cc1OC ZINC000289247361 376390546 /nfs/dbraw/zinc/39/05/46/376390546.db2.gz AUMXLIYHNJAQAP-CHWSQXEVSA-N 1 0 295.379 2.193 20 10 CECDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cc(F)ccc3O)C2)C1 ZINC000292791783 377284688 /nfs/dbraw/zinc/28/46/88/377284688.db2.gz MNLFQDMETFZCNK-OAHLLOKOSA-N 1 0 264.344 2.059 20 10 CECDRO CC(C)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000294147458 377918863 /nfs/dbraw/zinc/91/88/63/377918863.db2.gz VFXFLUUFLPTUMO-INIZCTEOSA-N 1 0 293.363 2.368 20 10 CECDRO Cc1cccnc1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000294720638 378015577 /nfs/dbraw/zinc/01/55/77/378015577.db2.gz CLKMDYAZLCSRGI-UHFFFAOYSA-N 1 0 286.331 2.157 20 10 CECDRO O=C1NCCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000295030188 378035222 /nfs/dbraw/zinc/03/52/22/378035222.db2.gz LNILTQNNGSIXKH-INIZCTEOSA-N 1 0 296.370 2.427 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)CC(C)(C)O)c1 ZINC000295057305 378037458 /nfs/dbraw/zinc/03/74/58/378037458.db2.gz NZELKLBJIGYBBC-NSHDSACASA-N 1 0 267.369 2.430 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCOC2(C)C)c1O ZINC000294834360 378022451 /nfs/dbraw/zinc/02/24/51/378022451.db2.gz QGBXUTKTSLKUTF-ZDUSSCGKSA-N 1 0 265.353 2.448 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000295336817 378110442 /nfs/dbraw/zinc/11/04/42/378110442.db2.gz ZWAPJEGEPDTEQF-GFCCVEGCSA-N 1 0 276.380 2.271 20 10 CECDRO CC(C)[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000297962707 378691318 /nfs/dbraw/zinc/69/13/18/378691318.db2.gz UOGLDJWLQGHMLL-UHFFFAOYSA-N 1 0 289.423 2.242 20 10 CECDRO CCCNC(=O)CCC[N@H+](C)Cc1ccccc1O ZINC000298399781 378716631 /nfs/dbraw/zinc/71/66/31/378716631.db2.gz HFABBPMQCPPPBU-UHFFFAOYSA-N 1 0 264.369 2.130 20 10 CECDRO CCn1nncc1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000529640575 380181343 /nfs/dbraw/zinc/18/13/43/380181343.db2.gz VKVXUUQOUFMULN-UHFFFAOYSA-N 1 0 280.759 2.255 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185467701 262304851 /nfs/dbraw/zinc/30/48/51/262304851.db2.gz QNZIWECOGNTLQQ-DOMZBBRYSA-N 1 0 267.369 2.139 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)[C@@H](O)C(F)(F)F ZINC000271015698 522637104 /nfs/dbraw/zinc/63/71/04/522637104.db2.gz TVQPGSWEULOLKB-CMPLNLGQSA-N 1 0 277.286 2.492 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000273363267 292014242 /nfs/dbraw/zinc/01/42/42/292014242.db2.gz AUFQVJNPHHBURH-NEPJUHHUSA-N 1 0 294.395 2.170 20 10 CECDRO CC(C)OCCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000228565129 394475733 /nfs/dbraw/zinc/47/57/33/394475733.db2.gz ZLPARBKJIKEAKR-UHFFFAOYSA-N 1 0 281.352 2.416 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1 ZINC000093614634 394668781 /nfs/dbraw/zinc/66/87/81/394668781.db2.gz DLDIAVJYYLSVCL-DLBZAZTESA-N 1 0 273.424 2.421 20 10 CECDRO CCOc1cccc(C[NH2+]CC2(N(C)C)CCC2)c1O ZINC000097929428 394700444 /nfs/dbraw/zinc/70/04/44/394700444.db2.gz YDIWNQVEGKGNQO-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)CN1CCOCC1 ZINC000120293556 394777174 /nfs/dbraw/zinc/77/71/74/394777174.db2.gz OMARJPGEFXYGLO-GFCCVEGCSA-N 1 0 298.814 2.104 20 10 CECDRO COCCn1cc(C[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000281913001 394874189 /nfs/dbraw/zinc/87/41/89/394874189.db2.gz ACYQZNGRUKBCOG-LBPRGKRZSA-N 1 0 275.352 2.086 20 10 CECDRO COc1cccc(C[NH2+]C2CCSCC2)c1O ZINC000134413873 394956910 /nfs/dbraw/zinc/95/69/10/394956910.db2.gz RCWHYLPYGVMYOH-UHFFFAOYSA-N 1 0 253.367 2.386 20 10 CECDRO COc1cc(C[NH2+]Cc2ccccc2O)cc2c1OCO2 ZINC000134237214 394957259 /nfs/dbraw/zinc/95/72/59/394957259.db2.gz FBKMXODPEDKFEH-UHFFFAOYSA-N 1 0 287.315 2.419 20 10 CECDRO Cc1nc([C@H]2CCC[N@H+](Cc3ccccc3O)C2)no1 ZINC000373128920 395055367 /nfs/dbraw/zinc/05/53/67/395055367.db2.gz WYBPPGMNPADYES-ZDUSSCGKSA-N 1 0 273.336 2.463 20 10 CECDRO CC(C)N(C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000289698828 395083569 /nfs/dbraw/zinc/08/35/69/395083569.db2.gz DPZPOGAMKUPJEE-CYBMUJFWSA-N 1 0 262.397 2.440 20 10 CECDRO CN1CCc2cc(C[NH2+][C@H]3CCc4c[nH]nc4C3)ccc21 ZINC000372131855 395035360 /nfs/dbraw/zinc/03/53/60/395035360.db2.gz LEWOOYPSTWQRAH-HNNXBMFYSA-N 1 0 282.391 2.049 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H](CO)C2)cc1 ZINC000372399699 395041586 /nfs/dbraw/zinc/04/15/86/395041586.db2.gz SCLLIIYAKSUHLL-OAHLLOKOSA-N 1 0 262.397 2.347 20 10 CECDRO CCC[N@H+](CCC(=O)OC)Cc1ccccc1O ZINC000174372843 395124077 /nfs/dbraw/zinc/12/40/77/395124077.db2.gz OQRUDZQCUMQRIR-UHFFFAOYSA-N 1 0 251.326 2.167 20 10 CECDRO C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1O ZINC000174854028 395128314 /nfs/dbraw/zinc/12/83/14/395128314.db2.gz KLJMFVKLFPRRSM-CYBMUJFWSA-N 1 0 276.380 2.225 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1O ZINC000293517621 395237419 /nfs/dbraw/zinc/23/74/19/395237419.db2.gz AQOCQVANKSYRGZ-AWEZNQCLSA-N 1 0 277.364 2.280 20 10 CECDRO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179556245 395195406 /nfs/dbraw/zinc/19/54/06/395195406.db2.gz NATMZWNRCPWXFK-CYBMUJFWSA-N 1 0 292.379 2.491 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000179570897 395197169 /nfs/dbraw/zinc/19/71/69/395197169.db2.gz PWFIUDSCKGHHHW-AWEZNQCLSA-N 1 0 298.390 2.310 20 10 CECDRO CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC1=O ZINC000296275268 395315552 /nfs/dbraw/zinc/31/55/52/395315552.db2.gz CARHCBOTSOTCSF-CHWSQXEVSA-N 1 0 288.391 2.369 20 10 CECDRO COCCN1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183448858 395256144 /nfs/dbraw/zinc/25/61/44/395256144.db2.gz VBKKIGXBIHAZTI-ZDUSSCGKSA-N 1 0 278.396 2.154 20 10 CECDRO CN(C)[C@]1(C[NH2+][C@H]2CCc3cccc(O)c32)CCSC1 ZINC000297507168 395343930 /nfs/dbraw/zinc/34/39/30/395343930.db2.gz CIXRNGJQIVTLAC-BBRMVZONSA-N 1 0 292.448 2.406 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@](C)(CCO)COC)cc1 ZINC000175855122 400288721 /nfs/dbraw/zinc/28/87/21/400288721.db2.gz ZOTGGUFHGCKUKK-KRWDZBQOSA-N 1 0 294.439 2.410 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000020208959 171073484 /nfs/dbraw/zinc/07/34/84/171073484.db2.gz ASOCTUIMADJRAU-YGRLFVJLSA-N 1 0 251.326 2.058 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CC1(O)CCCCCC1)OCO2 ZINC000079619354 260176324 /nfs/dbraw/zinc/17/63/24/260176324.db2.gz VFDVCOUBSFTDDM-UHFFFAOYSA-N 1 0 293.363 2.296 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]([NH+](C)C)C2)c1O ZINC000091393744 260265977 /nfs/dbraw/zinc/26/59/77/260265977.db2.gz UTPRFSNSCVJAAN-AWEZNQCLSA-N 1 0 294.370 2.260 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1O ZINC000128267673 260373266 /nfs/dbraw/zinc/37/32/66/260373266.db2.gz YSWJFDPQFQHZAC-CHWSQXEVSA-N 1 0 265.353 2.040 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1 ZINC000153088335 261073018 /nfs/dbraw/zinc/07/30/18/261073018.db2.gz HGVYOCIHPALRCV-CABCVRRESA-N 1 0 290.407 2.210 20 10 CECDRO CN1CCc2cc(C[NH2+][C@@H]3CCO[C@H]3C3CC3)ccc21 ZINC000300410932 261199062 /nfs/dbraw/zinc/19/90/62/261199062.db2.gz KJQBIHGNFLGNFL-WBVHZDCISA-N 1 0 272.392 2.336 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000178371529 261388181 /nfs/dbraw/zinc/38/81/81/261388181.db2.gz JTYFOKPCNGQMAY-CJNGLKHVSA-N 1 0 280.412 2.191 20 10 CECDRO CC[C@@H](O)CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000169092310 261429071 /nfs/dbraw/zinc/42/90/71/261429071.db2.gz AOEINUMSINOTQG-LLVKDONJSA-N 1 0 273.760 2.305 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)COC)c1 ZINC000179372462 261781415 /nfs/dbraw/zinc/78/14/15/261781415.db2.gz AHZIKVBTJMJJEE-NSHDSACASA-N 1 0 253.342 2.258 20 10 CECDRO Oc1ccc(F)cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000180188251 261845140 /nfs/dbraw/zinc/84/51/40/261845140.db2.gz VELZQZICLDWULU-CYBMUJFWSA-N 1 0 278.371 2.449 20 10 CECDRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1cc(Cl)ccc1O ZINC000184866706 262031678 /nfs/dbraw/zinc/03/16/78/262031678.db2.gz NYHRFARCTIYLKI-VIFPVBQESA-N 1 0 282.771 2.222 20 10 CECDRO CCN(C)C(=O)C[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000185184463 262045134 /nfs/dbraw/zinc/04/51/34/262045134.db2.gz BZXDJQVQFBBCMQ-UHFFFAOYSA-N 1 0 295.402 2.240 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCOCC2(C)C)c(O)c1 ZINC000185333966 262050937 /nfs/dbraw/zinc/05/09/37/262050937.db2.gz SGNCDYRIPROOTM-AWEZNQCLSA-N 1 0 292.423 2.462 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000185638524 262063397 /nfs/dbraw/zinc/06/33/97/262063397.db2.gz WDXJKCBEJXTYDL-RISCZKNCSA-N 1 0 267.394 2.219 20 10 CECDRO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1cc2c(cc1O)CCCC2 ZINC000186178141 262083570 /nfs/dbraw/zinc/08/35/70/262083570.db2.gz HLFHLRHZPOLXED-YVEFUNNKSA-N 1 0 291.391 2.073 20 10 CECDRO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cc2c(cc1O)CCCC2 ZINC000186178158 262083772 /nfs/dbraw/zinc/08/37/72/262083772.db2.gz HLFHLRHZPOLXED-SJKOYZFVSA-N 1 0 291.391 2.073 20 10 CECDRO Cc1ncc(/C=C/C(=O)N2C[C@H]([NH3+])Cc3ccccc32)s1 ZINC000493334433 262148855 /nfs/dbraw/zinc/14/88/55/262148855.db2.gz KDCJLSCODHZXKZ-KTRBRXNASA-N 1 0 299.399 2.381 20 10 CECDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCCOCC2)c1 ZINC000365003474 262267477 /nfs/dbraw/zinc/26/74/77/262267477.db2.gz ZGGMCCIGTCUIFQ-NSHDSACASA-N 1 0 251.326 2.184 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCO[C@H](C)C2)c1O ZINC000219886742 262351092 /nfs/dbraw/zinc/35/10/92/262351092.db2.gz SMISRQXKBQMJBK-PWSUYJOCSA-N 1 0 251.326 2.058 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]2COC)c1 ZINC000293738921 263148525 /nfs/dbraw/zinc/14/85/25/263148525.db2.gz VODJXMVIOXLBJL-GFCCVEGCSA-N 1 0 251.326 2.012 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCN1CCCCCC1 ZINC000226583853 263198179 /nfs/dbraw/zinc/19/81/79/263198179.db2.gz WPONOKGZBABQNF-UHFFFAOYSA-N 1 0 266.360 2.497 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCOCC[C@@H]2C)c1O ZINC000367708601 267111827 /nfs/dbraw/zinc/11/18/27/267111827.db2.gz QUJDVLRNEKQPLE-LBPRGKRZSA-N 1 0 265.353 2.402 20 10 CECDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)c2cc(OC)ccc2O)C1 ZINC000368794274 267206449 /nfs/dbraw/zinc/20/64/49/267206449.db2.gz ASZNHWVCSUBYRE-BZNIZROVSA-N 1 0 293.363 2.347 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1O ZINC000369397467 267240454 /nfs/dbraw/zinc/24/04/54/267240454.db2.gz GZOIPBXZJAFVNR-HNNXBMFYSA-N 1 0 294.782 2.066 20 10 CECDRO COC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@@H]1CCCO1 ZINC000296591191 277600818 /nfs/dbraw/zinc/60/08/18/277600818.db2.gz WVTQBFHEPPNXDO-YDHLFZDLSA-N 1 0 277.364 2.163 20 10 CECDRO COc1cccc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1O ZINC000289698708 278011335 /nfs/dbraw/zinc/01/13/35/278011335.db2.gz OLWJJLGCBULLNZ-HIFRSBDPSA-N 1 0 290.407 2.459 20 10 CECDRO CC[C@H](C(=O)NCc1cccc(OC)c1O)[NH+](CC)CC ZINC000269173312 280681753 /nfs/dbraw/zinc/68/17/53/280681753.db2.gz IUJQPHLDZBEKJM-CYBMUJFWSA-N 1 0 294.395 2.137 20 10 CECDRO COCC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000281587932 292690050 /nfs/dbraw/zinc/69/00/50/292690050.db2.gz LMJNZTBEWUDCCL-MWLCHTKSSA-N 1 0 273.760 2.094 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)c(O)c1C ZINC000527959831 313220969 /nfs/dbraw/zinc/22/09/69/313220969.db2.gz ZIILHJPCHHQMQN-AEGPPILISA-N 1 0 279.380 2.200 20 10 CECDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000363917692 327833982 /nfs/dbraw/zinc/83/39/82/327833982.db2.gz MYCJXVNOCDNWJX-INIZCTEOSA-N 1 0 295.386 2.367 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c(O)c1 ZINC000185376261 327839262 /nfs/dbraw/zinc/83/92/62/327839262.db2.gz SJIQATRQJDQFLV-QLFBSQMISA-N 1 0 292.423 2.460 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c(O)c1 ZINC000185376218 327839289 /nfs/dbraw/zinc/83/92/89/327839289.db2.gz SJIQATRQJDQFLV-SOUVJXGZSA-N 1 0 292.423 2.460 20 10 CECDRO C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000185705595 327842921 /nfs/dbraw/zinc/84/29/21/327842921.db2.gz QWDDTBJWKLMDEW-DGCLKSJQSA-N 1 0 283.343 2.378 20 10 CECDRO C[C@@H]([NH2+]Cc1cncn1C)c1ccc(N(C)C)cc1 ZINC000274725913 328005986 /nfs/dbraw/zinc/00/59/86/328005986.db2.gz ACXLSRREFXMWSB-GFCCVEGCSA-N 1 0 258.369 2.337 20 10 CECDRO CC[C@H]([NH2+]Cc1ccccc1O)[C@H](O)C(F)(F)F ZINC000270973777 328194256 /nfs/dbraw/zinc/19/42/56/328194256.db2.gz KHRBLDQIFGBKJI-ONGXEEELSA-N 1 0 263.259 2.184 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCc3cn[nH]c32)c1 ZINC000271805909 328197372 /nfs/dbraw/zinc/19/73/72/328197372.db2.gz JXBJUYZSJRVZFY-CYBMUJFWSA-N 1 0 273.336 2.291 20 10 CECDRO COc1cccc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000273090083 328204058 /nfs/dbraw/zinc/20/40/58/328204058.db2.gz KUWKAAOCLHJROT-HZPDHXFCSA-N 1 0 277.364 2.448 20 10 CECDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000295024278 328550301 /nfs/dbraw/zinc/55/03/01/328550301.db2.gz COUPBZJTUMHIBJ-GFCCVEGCSA-N 1 0 268.376 2.390 20 10 CECDRO COCCC[N@H+](CCOC)Cc1ccc(N(C)C)cc1 ZINC000092220915 327190427 /nfs/dbraw/zinc/19/04/27/327190427.db2.gz OJNCLCVJRVQAII-UHFFFAOYSA-N 1 0 280.412 2.238 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1O ZINC000377283296 329009940 /nfs/dbraw/zinc/00/99/40/329009940.db2.gz OKBUAUDGAZUHKK-ZDUSSCGKSA-N 1 0 292.770 2.393 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCOC[C@H]1CC(=O)OC ZINC000377870267 329032476 /nfs/dbraw/zinc/03/24/76/329032476.db2.gz TYZUZSNTAKEOMM-TZMCWYRMSA-N 1 0 293.363 2.107 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000378457135 329051385 /nfs/dbraw/zinc/05/13/85/329051385.db2.gz PXXGYKFDAJKYHL-ZDUSSCGKSA-N 1 0 257.337 2.071 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc1F ZINC000378516642 329053732 /nfs/dbraw/zinc/05/37/32/329053732.db2.gz LVUVARXYFGRCHF-RHSMWYFYSA-N 1 0 291.414 2.418 20 10 CECDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000179587357 329210100 /nfs/dbraw/zinc/21/01/00/329210100.db2.gz UQUXZCHFSJBNDS-FMKPAKJESA-N 1 0 277.364 2.161 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000180707038 329222308 /nfs/dbraw/zinc/22/23/08/329222308.db2.gz UDUFRDGOFBHYJV-GJZGRUSLSA-N 1 0 277.364 2.080 20 10 CECDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000527805203 330284336 /nfs/dbraw/zinc/28/43/36/330284336.db2.gz URIIXPUBTOFKPQ-VGAUDOQQSA-N 1 0 279.336 2.022 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1O ZINC000230315842 333316288 /nfs/dbraw/zinc/31/62/88/333316288.db2.gz MCWWLFMFOZJNAV-DOMZBBRYSA-N 1 0 263.337 2.058 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000134227664 334084881 /nfs/dbraw/zinc/08/48/81/334084881.db2.gz FJQLWOMGRIGMQI-CQSZACIVSA-N 1 0 291.322 2.061 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COCC ZINC000076074345 521689983 /nfs/dbraw/zinc/68/99/83/521689983.db2.gz TXXHTBMHLSSVMC-CQSZACIVSA-N 1 0 267.369 2.002 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617747 522153478 /nfs/dbraw/zinc/15/34/78/522153478.db2.gz AAVGUNQUIHHKLH-GHMZBOCLSA-N 1 0 282.359 2.487 20 10 CECDRO CCCNC(=O)C[N@H+](CCC)Cc1ccccc1O ZINC000069009950 519875778 /nfs/dbraw/zinc/87/57/78/519875778.db2.gz DSLJPNZXGFHHDW-UHFFFAOYSA-N 1 0 264.369 2.130 20 10 CECDRO CCCC[N@H+](CCN1CCNC1=O)Cc1ccccc1O ZINC000289525328 520509146 /nfs/dbraw/zinc/50/91/46/520509146.db2.gz VVNNXSZZSKYRKT-UHFFFAOYSA-N 1 0 291.395 2.020 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000192098351 520901099 /nfs/dbraw/zinc/90/10/99/520901099.db2.gz CURZCHLKRVDXMO-QWHCGFSZSA-N 1 0 277.412 2.132 20 10 CECDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000278589019 521652572 /nfs/dbraw/zinc/65/25/72/521652572.db2.gz YUGWFFDRBDESDV-FUJMWEONSA-N 1 0 279.380 2.281 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2=CCCOC2)cc1F ZINC000126878817 522205859 /nfs/dbraw/zinc/20/58/59/522205859.db2.gz NFTJOEIRYSNIOE-UHFFFAOYSA-N 1 0 264.344 2.328 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC(C)(C)O)cc1F ZINC000274724099 522206764 /nfs/dbraw/zinc/20/67/64/522206764.db2.gz FSGZQCLLMZPMKQ-UHFFFAOYSA-N 1 0 254.349 2.142 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1OC ZINC000160390239 522777289 /nfs/dbraw/zinc/77/72/89/522777289.db2.gz RBVIEGTZCSCYMY-INIZCTEOSA-N 1 0 293.363 2.022 20 10 CECDRO CN1CCCc2cc(C[NH2+]C3CCC(O)CC3)ccc21 ZINC000050285864 523862905 /nfs/dbraw/zinc/86/29/05/523862905.db2.gz GGQZWSCLMZNEKR-UHFFFAOYSA-N 1 0 274.408 2.462 20 10 CECDRO Cc1cccc(C[NH2+]C2CCN(c3cccnn3)CC2)c1O ZINC000277769184 524430254 /nfs/dbraw/zinc/43/02/54/524430254.db2.gz WBAPVRNZXULKDU-UHFFFAOYSA-N 1 0 298.390 2.249 20 10 CECDRO C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])C[NH+](C)C ZINC000293387637 524500744 /nfs/dbraw/zinc/50/07/44/524500744.db2.gz ISPHMYNNJISUTK-GHMZBOCLSA-N 1 0 254.349 2.380 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@](C)(O)CC2)c1 ZINC000279736166 524741965 /nfs/dbraw/zinc/74/19/65/524741965.db2.gz WRIXKMCQKOKRSV-HNNXBMFYSA-N 1 0 265.353 2.138 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000279776597 524755154 /nfs/dbraw/zinc/75/51/54/524755154.db2.gz KWKAULWPTHTHKZ-ZDUSSCGKSA-N 1 0 265.353 2.042 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000294943704 524755244 /nfs/dbraw/zinc/75/52/44/524755244.db2.gz YCCAOWNEHBUSRQ-ZDUSSCGKSA-N 1 0 251.326 2.058 20 10 CECDRO C[C@]1(O)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000129512515 525305202 /nfs/dbraw/zinc/30/52/02/525305202.db2.gz DOOKUZHWFPTHHK-ZDUSSCGKSA-N 1 0 255.745 2.392 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)cc1C ZINC000277808541 525320195 /nfs/dbraw/zinc/32/01/95/525320195.db2.gz YBHUHZBFPKGCLP-DJJJIMSYSA-N 1 0 281.421 2.352 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(F)ccc1O ZINC000230659310 525378278 /nfs/dbraw/zinc/37/82/78/525378278.db2.gz IOPOSMAQGAYLOE-QUBYGPBYSA-N 1 0 267.222 2.105 20 10 CECDRO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(F)ccc1O ZINC000094616810 525413933 /nfs/dbraw/zinc/41/39/33/525413933.db2.gz BADDUXIZSVINCI-GFCCVEGCSA-N 1 0 296.386 2.293 20 10 CECDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccccc1O)C[C@@H](C)O2 ZINC000280570364 525605115 /nfs/dbraw/zinc/60/51/15/525605115.db2.gz VSUIHONQSOKDCM-WWGRRREGSA-N 1 0 277.364 2.161 20 10 CECDRO Cc1nnc(CC[NH2+]Cc2cc(F)ccc2O)s1 ZINC000291554172 526329753 /nfs/dbraw/zinc/32/97/53/526329753.db2.gz MMXRZZXTBFTKLL-UHFFFAOYSA-N 1 0 267.329 2.024 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CCc1ccccc1)OCO2 ZINC000042879218 526336686 /nfs/dbraw/zinc/33/66/86/526336686.db2.gz ZLJFXJWYCWTNIL-UHFFFAOYSA-N 1 0 271.316 2.453 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCOCC(F)F ZINC000231677218 526363103 /nfs/dbraw/zinc/36/31/03/526363103.db2.gz OUVRYQBCCZRQSC-UHFFFAOYSA-N 1 0 265.687 2.417 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368220346 526366064 /nfs/dbraw/zinc/36/60/64/526366064.db2.gz FLPPKHIVEULOIV-SECBINFHSA-N 1 0 277.755 2.416 20 10 CECDRO OC[C@@H](C[NH2+]Cc1ccccc1O)Cc1ccc(F)cc1 ZINC000263727054 527579448 /nfs/dbraw/zinc/57/94/48/527579448.db2.gz XMXCBTHVAAWTDX-CQSZACIVSA-N 1 0 289.350 2.472 20 10 CECDRO COc1cc(C[N@H+](C)Cc2ccccc2O)ccn1 ZINC000762925151 574580147 /nfs/dbraw/zinc/58/01/47/574580147.db2.gz CQJLDLSCFSXZCU-UHFFFAOYSA-N 1 0 258.321 2.428 20 10 CECDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1=CC(=O)CS1 ZINC000731869755 574604517 /nfs/dbraw/zinc/60/45/17/574604517.db2.gz MONMCOPREGYKEH-JTQLQIEISA-N 1 0 268.382 2.058 20 10 CECDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1=CC(=O)CS1 ZINC000731869756 574604555 /nfs/dbraw/zinc/60/45/55/574604555.db2.gz MONMCOPREGYKEH-SNVBAGLBSA-N 1 0 268.382 2.058 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H](OC)C(F)(F)F)c(O)c1 ZINC000733329945 574664954 /nfs/dbraw/zinc/66/49/54/574664954.db2.gz MEDUWXRUXGRJGE-GFCCVEGCSA-N 1 0 293.285 2.458 20 10 CECDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756576532 574821958 /nfs/dbraw/zinc/82/19/58/574821958.db2.gz NMHGRFZBHKLJLI-ZANVPECISA-N 1 0 273.760 2.094 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000737363937 574830601 /nfs/dbraw/zinc/83/06/01/574830601.db2.gz HCWQXGOENWGQAI-UHFFFAOYSA-N 1 0 295.346 2.171 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)c1ccco1 ZINC000747098895 575167144 /nfs/dbraw/zinc/16/71/44/575167144.db2.gz DVZDBEDWQOPNJQ-GFCCVEGCSA-N 1 0 267.712 2.462 20 10 CECDRO Oc1ccc2ccncc2c1C[NH+]1CCN(C2CC2)CC1 ZINC000749675736 575229198 /nfs/dbraw/zinc/22/91/98/575229198.db2.gz JGTXFSDXQIUFKZ-UHFFFAOYSA-N 1 0 283.375 2.220 20 10 CECDRO C[C@@H]1CN(Cc2cc(Br)ccc2O)[C@@H](C)C[NH2+]1 ZINC000235342334 625328315 /nfs/dbraw/zinc/32/83/15/625328315.db2.gz UPOAQIGUTSYDOS-ZJUUUORDSA-N 1 0 299.212 2.337 20 10 CECDRO Cc1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(O)c1O ZINC000179515764 625564607 /nfs/dbraw/zinc/56/46/07/625564607.db2.gz VUFKVPIHHXVLFH-NSHDSACASA-N 1 0 294.395 2.112 20 10 CECDRO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)F)[NH+](C)C)cc1 ZINC000891249559 623326289 /nfs/dbraw/zinc/32/62/89/623326289.db2.gz UQYKIQHVIADVHY-AWEZNQCLSA-N 1 0 295.402 2.220 20 10 CECDRO CCO[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891400376 623595051 /nfs/dbraw/zinc/59/50/51/623595051.db2.gz BHIYCGSPWVPBMT-ZDUSSCGKSA-N 1 0 295.379 2.410 20 10 CECDRO CCCCOCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000040506629 623636166 /nfs/dbraw/zinc/63/61/66/623636166.db2.gz RZTURTXEDQEWMR-UHFFFAOYSA-N 1 0 292.423 2.430 20 10 CECDRO OCC1([NH2+]Cc2ccc3c(c2)CCO3)CCCCC1 ZINC000053096687 625671694 /nfs/dbraw/zinc/67/16/94/625671694.db2.gz ZMJOUFWHTMFNTK-UHFFFAOYSA-N 1 0 261.365 2.406 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)c1 ZINC000161036275 623767107 /nfs/dbraw/zinc/76/71/07/623767107.db2.gz CICRSRYNDWDAGI-UHFFFAOYSA-N 1 0 299.436 2.264 20 10 CECDRO C[N@@H+]1CCN(Cc2cc(F)ccc2O)CC1(C)C ZINC000234361408 623915032 /nfs/dbraw/zinc/91/50/32/623915032.db2.gz GSXHUEGERZCCPW-UHFFFAOYSA-N 1 0 252.333 2.057 20 10 CECDRO C[C@H](NC(=O)NCCC(C)(C)[NH3+])c1ccc(N(C)C)cc1 ZINC000891812911 623988867 /nfs/dbraw/zinc/98/88/67/623988867.db2.gz GTHWKXMSWJHORU-LBPRGKRZSA-N 1 0 292.427 2.240 20 10 CECDRO C[C@@H](CCCC[NH3+])NC(=O)N[C@@H](C)c1ccccc1O ZINC000892134964 624344576 /nfs/dbraw/zinc/34/45/76/624344576.db2.gz PIXULAZMYAKCOJ-RYUDHWBXSA-N 1 0 279.384 2.270 20 10 CECDRO CCN(CC)C[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000045691487 624502879 /nfs/dbraw/zinc/50/28/79/624502879.db2.gz GZDNMUMLVJPGKA-GFCCVEGCSA-N 1 0 266.385 2.221 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2O)c1O ZINC000323671999 634469340 /nfs/dbraw/zinc/46/93/40/634469340.db2.gz MRAPXKHQNVPINI-GHMZBOCLSA-N 1 0 271.744 2.057 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000820877930 634558904 /nfs/dbraw/zinc/55/89/04/634558904.db2.gz FFMAVLJNVISXPY-HNNXBMFYSA-N 1 0 288.391 2.368 20 10 CECDRO COc1ccc(C[NH2+]Cc2c(C)noc2C)c(O)c1OC ZINC000892675118 627392336 /nfs/dbraw/zinc/39/23/36/627392336.db2.gz VCMAKIPZHHARKT-UHFFFAOYSA-N 1 0 292.335 2.304 20 10 CECDRO Cc1nn(C)cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000168693571 627686135 /nfs/dbraw/zinc/68/61/35/627686135.db2.gz ZXSWKVCHUJEFHB-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000783598871 627687012 /nfs/dbraw/zinc/68/70/12/627687012.db2.gz CLNNEKCOJNWLAE-UHFFFAOYSA-N 1 0 277.364 2.403 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCOCC(F)(F)F)c1 ZINC000066738262 627715401 /nfs/dbraw/zinc/71/54/01/627715401.db2.gz ZNEDIRHECCPOQL-UHFFFAOYSA-N 1 0 263.259 2.369 20 10 CECDRO CCN(CC[NH2+]Cc1ccc(OC)c(OC)c1O)C(C)C ZINC000892801599 627784012 /nfs/dbraw/zinc/78/40/12/627784012.db2.gz OXAFISHMNDFOCV-UHFFFAOYSA-N 1 0 296.411 2.229 20 10 CECDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893074142 627981577 /nfs/dbraw/zinc/98/15/77/627981577.db2.gz KXWPMOAMNMHWBO-WCQYABFASA-N 1 0 297.395 2.296 20 10 CECDRO CC(C)(O)CC[NH2+]Cc1cc(Br)ccc1O ZINC000309446933 628125926 /nfs/dbraw/zinc/12/59/26/628125926.db2.gz PGHNFNTVGYAJLO-UHFFFAOYSA-N 1 0 288.185 2.405 20 10 CECDRO N[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1c1ccccc1 ZINC000312374247 628249868 /nfs/dbraw/zinc/24/98/68/628249868.db2.gz ITMVLICYTCFLGX-JKSUJKDBSA-N 1 0 268.360 2.319 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1O ZINC000189974839 628324021 /nfs/dbraw/zinc/32/40/21/628324021.db2.gz HFRRMVPZTWZJHW-TZMCWYRMSA-N 1 0 279.380 2.432 20 10 CECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000902422118 634646146 /nfs/dbraw/zinc/64/61/46/634646146.db2.gz CYCOQVLAVLVGHN-CQSZACIVSA-N 1 0 289.375 2.266 20 10 CECDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000312874599 628548509 /nfs/dbraw/zinc/54/85/09/628548509.db2.gz FOWBBVODKZSWJS-UHFFFAOYSA-N 1 0 264.369 2.008 20 10 CECDRO C[C@H]([NH2+]CCc1cn(C)cn1)c1cc(F)ccc1O ZINC000313251094 628585209 /nfs/dbraw/zinc/58/52/09/628585209.db2.gz HZMACTUTAASJFA-JTQLQIEISA-N 1 0 263.316 2.158 20 10 CECDRO C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1cc(F)ccc1O ZINC000902449411 634672381 /nfs/dbraw/zinc/67/23/81/634672381.db2.gz OCKSYPBVVWOCHX-NOZJJQNGSA-N 1 0 252.333 2.180 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H](CO)C(C)C)cc1C ZINC000258956636 628785469 /nfs/dbraw/zinc/78/54/69/628785469.db2.gz JYQXXJBECFUFKA-AWEZNQCLSA-N 1 0 251.370 2.358 20 10 CECDRO C[NH2+]C[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000219940164 628818913 /nfs/dbraw/zinc/81/89/13/628818913.db2.gz DSBJMJUPQOJOOU-JTQLQIEISA-N 1 0 299.212 2.196 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2csc(N)n2)c1 ZINC000902500427 634692665 /nfs/dbraw/zinc/69/26/65/634692665.db2.gz VJEMTXONCFMDMV-MRVPVSSYSA-N 1 0 279.365 2.290 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1OC ZINC000840976028 628983292 /nfs/dbraw/zinc/98/32/92/628983292.db2.gz BBYSODOTUKAMKP-DGCLKSJQSA-N 1 0 295.379 2.050 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1O ZINC000894089337 629119638 /nfs/dbraw/zinc/11/96/38/629119638.db2.gz RRHRAZKVPZNUHY-OCCSQVGLSA-N 1 0 279.380 2.302 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000178712584 629133747 /nfs/dbraw/zinc/13/37/47/629133747.db2.gz XBQVTEOUUJJKHL-HNNXBMFYSA-N 1 0 289.423 2.291 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@](C)(OC)C2)c(O)c1OC ZINC000894141591 629164845 /nfs/dbraw/zinc/16/48/45/629164845.db2.gz XYADGKIOMBUTHU-INIZCTEOSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC(C)(C)N(C)C)c1O ZINC000894146219 629169922 /nfs/dbraw/zinc/16/99/22/629169922.db2.gz QARCUWHPTBEPHP-UHFFFAOYSA-N 1 0 266.385 2.139 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](C)Cn2ccnc2)c1O ZINC000894173972 629189450 /nfs/dbraw/zinc/18/94/50/629189450.db2.gz MRKKCKMRZJOGNU-GFCCVEGCSA-N 1 0 275.352 2.084 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](CCO)C(C)C)c1O ZINC000894300108 629319455 /nfs/dbraw/zinc/31/94/55/629319455.db2.gz SRJNCNFIEPWLPP-ZDUSSCGKSA-N 1 0 267.369 2.206 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CO)COC)c1cc(Cl)ccc1O ZINC000794839121 629331782 /nfs/dbraw/zinc/33/17/82/629331782.db2.gz YVDCSWMHJJYMBG-CMPLNLGQSA-N 1 0 273.760 2.094 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)c1O ZINC000894340527 629370742 /nfs/dbraw/zinc/37/07/42/629370742.db2.gz PKOAKGHWNCTJPP-NVXWUHKLSA-N 1 0 299.370 2.457 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2cnn(C)c2C)c1O ZINC000894369742 629399628 /nfs/dbraw/zinc/39/96/28/629399628.db2.gz CDGADHMLKIYCSB-UHFFFAOYSA-N 1 0 275.352 2.041 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c(O)c1OC ZINC000894909442 629750405 /nfs/dbraw/zinc/75/04/05/629750405.db2.gz COLFSYFEVYAPOW-WZRBSPASSA-N 1 0 295.379 2.313 20 10 CECDRO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000049084906 629760058 /nfs/dbraw/zinc/76/00/58/629760058.db2.gz UFMGUNMPPBJWLH-OAHLLOKOSA-N 1 0 259.397 2.081 20 10 CECDRO COCC1([NH2+]Cc2ccc(OC)c(OC)c2O)CCCC1 ZINC000895313139 630104217 /nfs/dbraw/zinc/10/42/17/630104217.db2.gz ZRPGQJBLIQDRFB-UHFFFAOYSA-N 1 0 295.379 2.458 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895351392 630130799 /nfs/dbraw/zinc/13/07/99/630130799.db2.gz JHVKPVSFWWXKMT-OLZOCXBDSA-N 1 0 293.363 2.141 20 10 CECDRO CCc1cccc(C[N@@H+]2CCNC(=O)CC2(C)C)c1O ZINC000895400678 630168565 /nfs/dbraw/zinc/16/85/65/630168565.db2.gz WHOQGAKWPFNLDT-UHFFFAOYSA-N 1 0 276.380 2.055 20 10 CECDRO COc1cccc(CN(C)Cc2ccns2)c1O ZINC000895453850 630194761 /nfs/dbraw/zinc/19/47/61/630194761.db2.gz QTAAMHHUCCYMGQ-UHFFFAOYSA-N 1 0 264.350 2.489 20 10 CECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895463763 630205523 /nfs/dbraw/zinc/20/55/23/630205523.db2.gz CSEBLSVMWYKGSP-AAEUAGOBSA-N 1 0 267.369 2.348 20 10 CECDRO Oc1cccc2c1C[N@@H+]([C@@H]1CCC3(C[C@H]1F)OCCO3)C2 ZINC000895785427 630343964 /nfs/dbraw/zinc/34/39/64/630343964.db2.gz QJMZHMLGYULMBX-ZIAGYGMSSA-N 1 0 293.338 2.342 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@]23CCC[C@@]2(OC)OCC3)c1 ZINC000896411328 630557286 /nfs/dbraw/zinc/55/72/86/630557286.db2.gz CWYYLSDGUISMHS-JKSUJKDBSA-N 1 0 293.363 2.176 20 10 CECDRO Oc1c(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)ccc2ccccc21 ZINC000896858691 630694500 /nfs/dbraw/zinc/69/45/00/630694500.db2.gz LOSPNTVOSQPMGJ-VYDXJSESSA-N 1 0 299.370 2.439 20 10 CECDRO COc1ccc(O)c(C[NH2+]C2(CF)CCOCC2)c1 ZINC000824691063 635478767 /nfs/dbraw/zinc/47/87/67/635478767.db2.gz SNEJUKMXBXFMTQ-UHFFFAOYSA-N 1 0 269.316 2.009 20 10 CECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000896963236 630846431 /nfs/dbraw/zinc/84/64/31/630846431.db2.gz XFCZFAYKZIJNJT-SNVBAGLBSA-N 1 0 283.755 2.431 20 10 CECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000896962329 630847100 /nfs/dbraw/zinc/84/71/00/630847100.db2.gz LQSOHYHMFUUUSN-LBPRGKRZSA-N 1 0 263.337 2.086 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCS[C@H]2C)c1O ZINC000310564138 630934307 /nfs/dbraw/zinc/93/43/07/630934307.db2.gz KXXCQSUUOPJVNN-GXSJLCMTSA-N 1 0 253.367 2.384 20 10 CECDRO COc1cc(C)cc(C[NH+]2CCC3(CCO3)CC2)c1O ZINC000799956467 631093805 /nfs/dbraw/zinc/09/38/05/631093805.db2.gz QYXXERJXXMFBSH-UHFFFAOYSA-N 1 0 277.364 2.464 20 10 CECDRO CC(C)[NH+]1CCC(C(=O)NCc2c(O)cccc2F)CC1 ZINC000928705100 631127649 /nfs/dbraw/zinc/12/76/49/631127649.db2.gz DXABWJUIJPQRAH-UHFFFAOYSA-N 1 0 294.370 2.268 20 10 CECDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000897345739 631150915 /nfs/dbraw/zinc/15/09/15/631150915.db2.gz NTEVILIMRPHJIG-CQSZACIVSA-N 1 0 276.380 2.095 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)[C@@H]2C)cc1C ZINC000985871083 631191629 /nfs/dbraw/zinc/19/16/29/631191629.db2.gz NQKAQSJAVKYXJJ-IUODEOHRSA-N 1 0 276.380 2.103 20 10 CECDRO COCCO[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000802653032 631440695 /nfs/dbraw/zinc/44/06/95/631440695.db2.gz NMNXCYGFKCNHCT-OAHLLOKOSA-N 1 0 279.380 2.328 20 10 CECDRO COCCO[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000802653571 631440924 /nfs/dbraw/zinc/44/09/24/631440924.db2.gz YXOJTTWFPCIKIX-ZDUSSCGKSA-N 1 0 295.379 2.028 20 10 CECDRO C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(F)ccc1O ZINC000806178042 631724167 /nfs/dbraw/zinc/72/41/67/631724167.db2.gz BNSCQXCMMVPUSO-WCQYABFASA-N 1 0 290.338 2.353 20 10 CECDRO CCN(CC)c1ccc(CN[C@@H](C[NH3+])C2CC2)cc1F ZINC000841028217 631810901 /nfs/dbraw/zinc/81/09/01/631810901.db2.gz MGKLDRVVINASFY-HNNXBMFYSA-N 1 0 279.403 2.499 20 10 CECDRO COc1cc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c(O)cc1C ZINC000840089963 631830955 /nfs/dbraw/zinc/83/09/55/631830955.db2.gz LPHBIOFYWZXORO-BETUJISGSA-N 1 0 278.396 2.234 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1O ZINC000897819203 631929518 /nfs/dbraw/zinc/92/95/18/631929518.db2.gz XPZCNEQAWLILBF-TVEHIPJCSA-N 1 0 295.766 2.320 20 10 CECDRO c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc2nonc12 ZINC000897993460 631995892 /nfs/dbraw/zinc/99/58/92/631995892.db2.gz DMBKECJEQSNOQE-UHFFFAOYSA-N 1 0 281.315 2.448 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccc(CCO)cc2)c1 ZINC000898171260 632080422 /nfs/dbraw/zinc/08/04/22/632080422.db2.gz UQTHXOZRTZDTRL-UHFFFAOYSA-N 1 0 287.359 2.225 20 10 CECDRO COc1cccc(O)c1C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000809690747 632128218 /nfs/dbraw/zinc/12/82/18/632128218.db2.gz YAJCRKJGRWAYHM-UHFFFAOYSA-N 1 0 299.374 2.424 20 10 CECDRO CO[C@H](C)C[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809717026 632132165 /nfs/dbraw/zinc/13/21/65/632132165.db2.gz BXTKKUNLACEMBW-CYBMUJFWSA-N 1 0 296.386 2.129 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@H](O)C(F)(F)F)cc1C ZINC000809742017 632136232 /nfs/dbraw/zinc/13/62/32/632136232.db2.gz GMOOVEKTLNHTPY-LBPRGKRZSA-N 1 0 277.286 2.412 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000809757243 632142431 /nfs/dbraw/zinc/14/24/31/632142431.db2.gz LNCVVPLDMGXFMK-LBPRGKRZSA-N 1 0 287.363 2.124 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc3n2CCC3)c1 ZINC000825935558 635735318 /nfs/dbraw/zinc/73/53/18/635735318.db2.gz XYKRHZIFLCXCCV-LLVKDONJSA-N 1 0 287.363 2.394 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COC[C@@H]2C2CC2)c1 ZINC000898378885 632185621 /nfs/dbraw/zinc/18/56/21/632185621.db2.gz BJULMVZSSANVIX-COLVAYQJSA-N 1 0 277.364 2.476 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2COC[C@H]2C2CC2)c1O ZINC000898375755 632187840 /nfs/dbraw/zinc/18/78/40/632187840.db2.gz HFWOMAWOIORHMW-KBPBESRZSA-N 1 0 277.364 2.224 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccccc2O)c(OC)n1 ZINC000810177116 632191409 /nfs/dbraw/zinc/19/14/09/632191409.db2.gz KKLJZBOXGFQDOJ-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccccc1O ZINC000810242920 632197855 /nfs/dbraw/zinc/19/78/55/632197855.db2.gz VJIYZUGXXMXQRG-GFCCVEGCSA-N 1 0 284.359 2.271 20 10 CECDRO CC[C@](C)(C[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000322793859 632242164 /nfs/dbraw/zinc/24/21/64/632242164.db2.gz OKSOXRVIEUHWIJ-CQSZACIVSA-N 1 0 267.325 2.026 20 10 CECDRO CCN1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)CC1=O ZINC000826064439 635754730 /nfs/dbraw/zinc/75/47/30/635754730.db2.gz KEADXWUGBGTTBJ-NSHDSACASA-N 1 0 282.771 2.064 20 10 CECDRO C[NH2+]CCC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000841042123 632308644 /nfs/dbraw/zinc/30/86/44/632308644.db2.gz LEGZLJHVCYZEGP-UHFFFAOYSA-N 1 0 287.201 2.162 20 10 CECDRO C[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000927082776 632451301 /nfs/dbraw/zinc/45/13/01/632451301.db2.gz DFESOSRACABWFM-CZUORRHYSA-N 1 0 278.396 2.209 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1 ZINC000898384989 632476923 /nfs/dbraw/zinc/47/69/23/632476923.db2.gz AUVMYSJPBARROU-HZPDHXFCSA-N 1 0 260.381 2.267 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c(O)c1 ZINC000927128225 632481755 /nfs/dbraw/zinc/48/17/55/632481755.db2.gz GSGJOHZPEBNGBA-SWLSCSKDSA-N 1 0 289.379 2.127 20 10 CECDRO OC1CCN(c2ccc(C[NH2+]C/C=C\Cl)cc2)CC1 ZINC000898427641 632487705 /nfs/dbraw/zinc/48/77/05/632487705.db2.gz DJBGNNKGQUUOGU-QPIMQUGISA-N 1 0 280.799 2.490 20 10 CECDRO CN(C)c1ccc([C@H](C[NH2+]C2CCOCC2)N(C)C)cc1 ZINC000898449399 632498852 /nfs/dbraw/zinc/49/88/52/632498852.db2.gz DOCZKEKJBUTNBK-KRWDZBQOSA-N 1 0 291.439 2.124 20 10 CECDRO C[C@@H]1OCC[C@@H]1[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449283 632498976 /nfs/dbraw/zinc/49/89/76/632498976.db2.gz AJLIOLUBVPQVER-RRQGHBQHSA-N 1 0 291.439 2.122 20 10 CECDRO CCc1cccc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)c1O ZINC000898463843 632506655 /nfs/dbraw/zinc/50/66/55/632506655.db2.gz YVJBZGONBGRKDR-WMLDXEAASA-N 1 0 288.391 2.246 20 10 CECDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815073946 632954903 /nfs/dbraw/zinc/95/49/03/632954903.db2.gz ZGYCTYANRBSSMS-UHFFFAOYSA-N 1 0 278.396 2.492 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@H]2CCO)ccc1N(C)C ZINC000815095609 632958175 /nfs/dbraw/zinc/95/81/75/632958175.db2.gz FDMROOMTJKHSFJ-HNNXBMFYSA-N 1 0 262.397 2.408 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC000815111454 632961572 /nfs/dbraw/zinc/96/15/72/632961572.db2.gz LYGCXNHUCZPHBB-OAHLLOKOSA-N 1 0 266.360 2.049 20 10 CECDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816549860 633411511 /nfs/dbraw/zinc/41/15/11/633411511.db2.gz ALIFXXCIGVTCPX-QGZVFWFLSA-N 1 0 289.375 2.423 20 10 CECDRO C[S@](=O)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816552806 633411806 /nfs/dbraw/zinc/41/18/06/633411806.db2.gz XQWLMBSAXWDLQD-IBGZPJMESA-N 1 0 277.389 2.404 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1C ZINC000817412285 633650686 /nfs/dbraw/zinc/65/06/86/633650686.db2.gz HWFSGGJUNUQIRK-CTYIDZIISA-N 1 0 290.407 2.385 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)c1O ZINC000817414985 633653047 /nfs/dbraw/zinc/65/30/47/633653047.db2.gz QBLCOXOFVQEPKK-AAEUAGOBSA-N 1 0 265.353 2.136 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C(=O)NC)C2)cc1 ZINC000817414581 633653667 /nfs/dbraw/zinc/65/36/67/633653667.db2.gz HWVBLJWIXOOEKL-HNNXBMFYSA-N 1 0 289.423 2.101 20 10 CECDRO CCOc1ccc(O)c(CN(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000817417108 633654546 /nfs/dbraw/zinc/65/45/46/633654546.db2.gz CYALYQISUNSVEE-AWEZNQCLSA-N 1 0 278.396 2.317 20 10 CECDRO CON1CCC([NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000817418853 633655772 /nfs/dbraw/zinc/65/57/72/633655772.db2.gz JCRXTGCTZXEEKO-UHFFFAOYSA-N 1 0 264.369 2.124 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1O ZINC000817419368 633656152 /nfs/dbraw/zinc/65/61/52/633656152.db2.gz UTPRPBBXMLIZSV-CYBMUJFWSA-N 1 0 279.380 2.385 20 10 CECDRO CON1CCC([NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC000817418912 633656187 /nfs/dbraw/zinc/65/61/87/633656187.db2.gz KTEVLQDKQKSULV-UHFFFAOYSA-N 1 0 289.423 2.402 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@H](CCO)CC2)c1O ZINC000817419369 633656628 /nfs/dbraw/zinc/65/66/28/633656628.db2.gz UTPRPBBXMLIZSV-ZDUSSCGKSA-N 1 0 279.380 2.385 20 10 CECDRO COC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C(C)C ZINC000817939518 633788651 /nfs/dbraw/zinc/78/86/51/633788651.db2.gz CAGXBVGVFQIDDP-HOTGVXAUSA-N 1 0 279.428 2.013 20 10 CECDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817941824 633789646 /nfs/dbraw/zinc/78/96/46/633789646.db2.gz LBOKTBOSLFEVOX-GUYCJALGSA-N 1 0 284.407 2.498 20 10 CECDRO C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817941793 633789687 /nfs/dbraw/zinc/78/96/87/633789687.db2.gz RSRAJJDRWQNCDL-SECBINFHSA-N 1 0 270.323 2.321 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)[C@H]1C ZINC000817943280 633790764 /nfs/dbraw/zinc/79/07/64/633790764.db2.gz TYDOUMUGTXORHW-KOZAUXTDSA-N 1 0 261.413 2.387 20 10 CECDRO C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)c2c1c(F)ccc2O ZINC000817953225 633797725 /nfs/dbraw/zinc/79/77/25/633797725.db2.gz XQFBLEHEQPXQHG-CKYFFXLPSA-N 1 0 264.344 2.421 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@H](CN)C2CC2)c2c1c(F)ccc2O ZINC000817961315 633803555 /nfs/dbraw/zinc/80/35/55/633803555.db2.gz XCSPGXHTZJNTHN-JFUSQASVSA-N 1 0 264.344 2.407 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817969901 633812249 /nfs/dbraw/zinc/81/22/49/633812249.db2.gz HWOLFWQFFVUMIG-HBNTYKKESA-N 1 0 279.340 2.221 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817977253 633819907 /nfs/dbraw/zinc/81/99/07/633819907.db2.gz FQCVEMUFUAJRFJ-DTWKUNHWSA-N 1 0 258.312 2.448 20 10 CECDRO C[C@H](N[C@H]1CCCC[NH2+]C1)c1cc(F)ccc1O ZINC000817984442 633825723 /nfs/dbraw/zinc/82/57/23/633825723.db2.gz SUUMWGRKAXASEY-JQWIXIFHSA-N 1 0 252.333 2.324 20 10 CECDRO COc1ccc(O)c([C@H](C)N[C@H]2CCCC[NH2+]C2)c1 ZINC000817984128 633826903 /nfs/dbraw/zinc/82/69/03/633826903.db2.gz NQIRRRJKZGPKPT-RYUDHWBXSA-N 1 0 264.369 2.194 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C12CC[NH+](CC1)C2 ZINC000901053385 633940188 /nfs/dbraw/zinc/94/01/88/633940188.db2.gz OJKSOJYKFTWQKK-UHFFFAOYSA-N 1 0 288.391 2.227 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1 ZINC000822498150 634930827 /nfs/dbraw/zinc/93/08/27/634930827.db2.gz VHOTZPUKIGESJI-INIZCTEOSA-N 1 0 285.395 2.181 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C2CC(CC(N)=O)C2)c(O)c1C ZINC000903259857 635033306 /nfs/dbraw/zinc/03/33/06/635033306.db2.gz KLYWOVFOPFGRJH-PNESKVBLSA-N 1 0 276.380 2.314 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]Cc1cnn(CCF)c1)CC2 ZINC000903274709 635040820 /nfs/dbraw/zinc/04/08/20/635040820.db2.gz RAFJZWOVMGIYLF-CYBMUJFWSA-N 1 0 275.327 2.335 20 10 CECDRO C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(F)ccc1O ZINC000903421512 635123140 /nfs/dbraw/zinc/12/31/40/635123140.db2.gz VRLWYMHKBLQKJC-JTQLQIEISA-N 1 0 291.326 2.109 20 10 CECDRO C[NH2+]CCN(Cc1cc(F)cc(C(C)=O)c1O)C(C)C ZINC000903570733 635168397 /nfs/dbraw/zinc/16/83/97/635168397.db2.gz ZYTQMUYHDXZGMJ-UHFFFAOYSA-N 1 0 282.359 2.164 20 10 CECDRO Cc1cccc(CN2CCc3sc(C[NH3+])nc3C2)c1O ZINC000903941968 635374096 /nfs/dbraw/zinc/37/40/96/635374096.db2.gz IHNZOLAYCCTFQK-UHFFFAOYSA-N 1 0 289.404 2.174 20 10 CECDRO C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000903975061 635392768 /nfs/dbraw/zinc/39/27/68/635392768.db2.gz VMDJQSMGAFVNQA-GHMZBOCLSA-N 1 0 268.788 2.381 20 10 CECDRO CC[C@H]([NH2+]CC[C@](C)(O)COC)c1ccccc1O ZINC000824559322 635450679 /nfs/dbraw/zinc/45/06/79/635450679.db2.gz PEHLQUSATOVNGE-ZFWWWQNUSA-N 1 0 267.369 2.220 20 10 CECDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824796476 635499692 /nfs/dbraw/zinc/49/96/92/635499692.db2.gz ILRVJDGRWQWZHW-NSHDSACASA-N 1 0 296.798 2.312 20 10 CECDRO CCN1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CC1=O ZINC000824893536 635519197 /nfs/dbraw/zinc/51/91/97/635519197.db2.gz UYPIPGOCUXJZOO-CQSZACIVSA-N 1 0 284.359 2.256 20 10 CECDRO Cc1cccc(C[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000825046025 635549030 /nfs/dbraw/zinc/54/90/30/635549030.db2.gz OOMNQGFQSHDFMR-LBPRGKRZSA-N 1 0 259.353 2.155 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCn2ccnc2)cc1Cl ZINC000825058785 635554393 /nfs/dbraw/zinc/55/43/93/635554393.db2.gz MCIKNCFCCWVVBU-UHFFFAOYSA-N 1 0 265.744 2.340 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000904381590 635605599 /nfs/dbraw/zinc/60/55/99/635605599.db2.gz ZFKRUQMLOBVDPE-LSDHHAIUSA-N 1 0 260.381 2.242 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000825297380 635607831 /nfs/dbraw/zinc/60/78/31/635607831.db2.gz DDMDXVOBUWJONJ-PWSUYJOCSA-N 1 0 296.798 2.488 20 10 CECDRO CCOCc1cc(CN[C@@H]2C[NH2+]CC2(C)C)ccc1OC ZINC000904463586 635635266 /nfs/dbraw/zinc/63/52/66/635635266.db2.gz QNXMNRLBVXLBMX-MRXNPFEDSA-N 1 0 292.423 2.319 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1Cl ZINC000825752394 635707298 /nfs/dbraw/zinc/70/72/98/635707298.db2.gz ACFBIEJEBMZSRV-AAEUAGOBSA-N 1 0 299.798 2.089 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1O ZINC000826911110 635879688 /nfs/dbraw/zinc/87/96/88/635879688.db2.gz RZYHCWRDEMVMMP-LPMFXHHGSA-N 1 0 281.421 2.480 20 10 CECDRO CN1CC(C[N@H+](C)Cc2ccc(Br)cc2O)C1 ZINC000827125099 636224801 /nfs/dbraw/zinc/22/48/01/636224801.db2.gz HIYITLHYYZWZNC-UHFFFAOYSA-N 1 0 299.212 2.148 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151752 636238097 /nfs/dbraw/zinc/23/80/97/636238097.db2.gz IZZNVUQSEZQZRZ-INIZCTEOSA-N 1 0 277.364 2.138 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1O ZINC000827292771 636282048 /nfs/dbraw/zinc/28/20/48/636282048.db2.gz SUCLRBZLLXXCHZ-IINYFYTJSA-N 1 0 283.755 2.011 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)CC2([NH3+])CCC2)cc1 ZINC000827340672 636298910 /nfs/dbraw/zinc/29/89/10/636298910.db2.gz HOFXAYYMGOEFOJ-UHFFFAOYSA-N 1 0 289.423 2.421 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000827340952 636299095 /nfs/dbraw/zinc/29/90/95/636299095.db2.gz MWUCZEDBKJHHJV-INIZCTEOSA-N 1 0 289.423 2.276 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)cc1C ZINC000827700049 636397718 /nfs/dbraw/zinc/39/77/18/636397718.db2.gz OTFCIXXGQNNCSZ-XJKSGUPXSA-N 1 0 263.381 2.459 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c(O)c1 ZINC000827699584 636398225 /nfs/dbraw/zinc/39/82/25/636398225.db2.gz JITRWYPCKSVLPW-MLGOLLRUSA-N 1 0 279.380 2.241 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)OC)c1O ZINC000827843234 636440925 /nfs/dbraw/zinc/44/09/25/636440925.db2.gz BFDWUVRHCHMLBZ-UONOGXRCSA-N 1 0 277.364 2.386 20 10 CECDRO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1O ZINC000827940852 636465114 /nfs/dbraw/zinc/46/51/14/636465114.db2.gz JKRSLNWGZOKMEP-GFCCVEGCSA-N 1 0 276.380 2.301 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)c1ccnc(C[NH3+])c1 ZINC000828145041 636521942 /nfs/dbraw/zinc/52/19/42/636521942.db2.gz VCRHGWOHROOBSV-UHFFFAOYSA-N 1 0 299.374 2.298 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000829764754 636924536 /nfs/dbraw/zinc/92/45/36/636924536.db2.gz WHYIOFPIXOBVPD-CQSZACIVSA-N 1 0 289.423 2.067 20 10 CECDRO COCCO[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000802652408 637256402 /nfs/dbraw/zinc/25/64/02/637256402.db2.gz FVIBXSLXXAOIEA-CQSZACIVSA-N 1 0 265.353 2.020 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)OCCO2 ZINC000876562523 650329845 /nfs/dbraw/zinc/32/98/45/650329845.db2.gz YYWNRDTVPHEICO-UHFFFAOYSA-N 1 0 263.337 2.040 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000876633961 650368996 /nfs/dbraw/zinc/36/89/96/650368996.db2.gz YYZKZSJMEGOBEI-AWEZNQCLSA-N 1 0 274.364 2.178 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN2CCCO)c1 ZINC000834850033 637970496 /nfs/dbraw/zinc/97/04/96/637970496.db2.gz IUKVSVDGOLKZPF-CABCVRRESA-N 1 0 292.423 2.198 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c1 ZINC000834850618 637970989 /nfs/dbraw/zinc/97/09/89/637970989.db2.gz OEILSIIZUMKOEF-GJZGRUSLSA-N 1 0 292.423 2.198 20 10 CECDRO CCN1C[C@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1=O ZINC000834888911 637979109 /nfs/dbraw/zinc/97/91/09/637979109.db2.gz CXPRBYMGZVZZTN-UMNHJUIQSA-N 1 0 292.354 2.290 20 10 CECDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000834900099 637981450 /nfs/dbraw/zinc/98/14/50/637981450.db2.gz MDYKYEVSJSDNQG-DTWKUNHWSA-N 1 0 270.760 2.221 20 10 CECDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000834898154 637981664 /nfs/dbraw/zinc/98/16/64/637981664.db2.gz ZWULAFDTGHWKSX-IAOVAPTHSA-N 1 0 290.407 2.087 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000834904841 637982796 /nfs/dbraw/zinc/98/27/96/637982796.db2.gz RPBPHUVYYWLJHE-NJZAAPMLSA-N 1 0 265.353 2.155 20 10 CECDRO C[C@@H](Cn1cncn1)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835035280 638032748 /nfs/dbraw/zinc/03/27/48/638032748.db2.gz FRCWDVVVRODNLU-WSNITJDQSA-N 1 0 285.395 2.036 20 10 CECDRO CCN(CC)C(=O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835038008 638034306 /nfs/dbraw/zinc/03/43/06/638034306.db2.gz SWVMWMVZIZQPRP-FPLPWBNLSA-N 1 0 289.423 2.224 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000835046113 638037240 /nfs/dbraw/zinc/03/72/40/638037240.db2.gz SSGKMRDBHLRIDM-OEQZANGBSA-N 1 0 272.392 2.080 20 10 CECDRO CCN(C)C(=O)[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835049134 638038591 /nfs/dbraw/zinc/03/85/91/638038591.db2.gz BRHMMOZDSCRCKX-WBTMPAOCSA-N 1 0 289.423 2.222 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1 ZINC000835054336 638040927 /nfs/dbraw/zinc/04/09/27/638040927.db2.gz KGMOBUUFOHTEBA-VUBDOFJKSA-N 1 0 287.407 2.009 20 10 CECDRO CC(=O)OC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876740375 650415139 /nfs/dbraw/zinc/41/51/39/650415139.db2.gz MWDVDKSXDFEUIN-UHFFFAOYSA-N 1 0 263.337 2.228 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(O)c1 ZINC000876806928 650440501 /nfs/dbraw/zinc/44/05/01/650440501.db2.gz WHDYAVMKKBNUQC-HZPDHXFCSA-N 1 0 277.364 2.080 20 10 CECDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876814487 650443782 /nfs/dbraw/zinc/44/37/82/650443782.db2.gz NMKUNCPBHSVDEG-HNNXBMFYSA-N 1 0 279.380 2.328 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000876814341 650443838 /nfs/dbraw/zinc/44/38/38/650443838.db2.gz MEZCZVLFKBEHCU-AWEZNQCLSA-N 1 0 286.379 2.204 20 10 CECDRO Cc1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)c(O)c1 ZINC000876814313 650443863 /nfs/dbraw/zinc/44/38/63/650443863.db2.gz LORMZNICVMYDDY-UHFFFAOYSA-N 1 0 286.379 2.204 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000156574426 639362608 /nfs/dbraw/zinc/36/26/08/639362608.db2.gz JMGLBQOKJYOMHE-CHWSQXEVSA-N 1 0 277.412 2.084 20 10 CECDRO Cc1cc(C)c(O)c(C[N@H+](C)CCn2cccn2)c1 ZINC000164319038 639363443 /nfs/dbraw/zinc/36/34/43/639363443.db2.gz GQZXLMLZULWDOR-UHFFFAOYSA-N 1 0 259.353 2.338 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2OC)cc1 ZINC000840825710 639553396 /nfs/dbraw/zinc/55/33/96/639553396.db2.gz ZVTWRWXYVSXHGR-MAZHCROVSA-N 1 0 278.396 2.207 20 10 CECDRO CC[C@@H]([NH2+]CCc1ccnn1C)c1ccccc1O ZINC000158119941 639571331 /nfs/dbraw/zinc/57/13/31/639571331.db2.gz RVXSFEZZDSGOJY-CQSZACIVSA-N 1 0 259.353 2.409 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](O)C2CCOCC2)c(Cl)c1 ZINC000840897556 639576580 /nfs/dbraw/zinc/57/65/80/639576580.db2.gz BCMHPJMPRIFTBT-HNNXBMFYSA-N 1 0 299.798 2.231 20 10 CECDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840907793 639581432 /nfs/dbraw/zinc/58/14/32/639581432.db2.gz QYGDQBJREQWZST-GXFFZTMASA-N 1 0 296.798 2.358 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN(C)C(C)C ZINC000840932008 639590452 /nfs/dbraw/zinc/59/04/52/639590452.db2.gz BLBHKCPPBBCBLP-UHFFFAOYSA-N 1 0 263.429 2.491 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@]1(O)CCSC1 ZINC000840935356 639591366 /nfs/dbraw/zinc/59/13/66/639591366.db2.gz MYBBSIUNTZECBZ-OAHLLOKOSA-N 1 0 280.437 2.019 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000840938711 639592024 /nfs/dbraw/zinc/59/20/24/639592024.db2.gz QWZGHTBEIRHBDX-INIZCTEOSA-N 1 0 285.395 2.100 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[S@](C)=O)c(Cl)c1 ZINC000840940114 639594460 /nfs/dbraw/zinc/59/44/60/639594460.db2.gz VODNPERCFODPGS-XYZCENFISA-N 1 0 275.801 2.211 20 10 CECDRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840942171 639595318 /nfs/dbraw/zinc/59/53/18/639595318.db2.gz UQPXCAHZBGZKKA-ZFWWWQNUSA-N 1 0 290.407 2.492 20 10 CECDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)C(C)C ZINC000840966533 639603856 /nfs/dbraw/zinc/60/38/56/639603856.db2.gz HLDDNUGZFCLPPX-XHDPSFHLSA-N 1 0 281.352 2.006 20 10 CECDRO OCC1(c2ccccc2)C[NH+](Cc2ccccc2O)C1 ZINC000840970660 639604928 /nfs/dbraw/zinc/60/49/28/639604928.db2.gz VPJQMURHQYYJON-UHFFFAOYSA-N 1 0 269.344 2.138 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000840977485 639607498 /nfs/dbraw/zinc/60/74/98/639607498.db2.gz ITGMYBZXFRAUDA-NEPJUHHUSA-N 1 0 265.353 2.042 20 10 CECDRO CCOCc1cc(CNC[C@H]([NH3+])C(C)C)ccc1OC ZINC000841028821 639621763 /nfs/dbraw/zinc/62/17/63/639621763.db2.gz ICYBSSVMDQSNFP-HNNXBMFYSA-N 1 0 280.412 2.305 20 10 CECDRO CCCC[C@H](C[NH3+])NCc1ccc(N(C)C)c(F)c1 ZINC000841029806 639623046 /nfs/dbraw/zinc/62/30/46/639623046.db2.gz SKZDWKZEOCDTGF-CYBMUJFWSA-N 1 0 267.392 2.499 20 10 CECDRO [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000841055734 639634550 /nfs/dbraw/zinc/63/45/50/639634550.db2.gz VJBOLBNDSODDHK-GHMZBOCLSA-N 1 0 299.758 2.313 20 10 CECDRO C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000841064417 639640077 /nfs/dbraw/zinc/64/00/77/639640077.db2.gz QGXHUGDSUQVUQS-BXKDBHETSA-N 1 0 299.212 2.242 20 10 CECDRO CN(C)c1ccc(CN[C@@H](CC[NH3+])C(F)(F)F)cc1F ZINC000841090988 639653710 /nfs/dbraw/zinc/65/37/10/639653710.db2.gz TUBQDWWQIFDLNT-LBPRGKRZSA-N 1 0 293.308 2.261 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1F ZINC000841105688 639672281 /nfs/dbraw/zinc/67/22/81/639672281.db2.gz ZLORESMPWAWIIF-INIZCTEOSA-N 1 0 277.387 2.220 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105463 639676695 /nfs/dbraw/zinc/67/66/95/639676695.db2.gz PALZZXVJDFNHIU-AWEZNQCLSA-N 1 0 266.772 2.374 20 10 CECDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(N)cc2)C[C@@H]1C ZINC000841297848 639731841 /nfs/dbraw/zinc/73/18/41/639731841.db2.gz IYEHVIURNQXSRK-NWDGAFQWSA-N 1 0 276.384 2.215 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1 ZINC000230392177 639756311 /nfs/dbraw/zinc/75/63/11/639756311.db2.gz RNMATMBKPUEZEK-YGRLFVJLSA-N 1 0 251.326 2.058 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c1O ZINC000230670211 639778119 /nfs/dbraw/zinc/77/81/19/639778119.db2.gz HFHPMVXHSOALPS-DGCLKSJQSA-N 1 0 265.353 2.042 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c1O ZINC000230670180 639778628 /nfs/dbraw/zinc/77/86/28/639778628.db2.gz BEOSBYUVAOYIMV-OCCSQVGLSA-N 1 0 279.380 2.432 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CO)c1O ZINC000230681221 639780165 /nfs/dbraw/zinc/78/01/65/639780165.db2.gz BWDYENNFFBYPDN-CHWSQXEVSA-N 1 0 265.353 2.042 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(Cl)cc1O ZINC000841748809 639856891 /nfs/dbraw/zinc/85/68/91/639856891.db2.gz ZDMXSNRGPDQYPX-GWCFXTLKSA-N 1 0 299.798 2.484 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cc(OC)cnc2F)c1 ZINC000877036897 650542262 /nfs/dbraw/zinc/54/22/62/650542262.db2.gz UPEMYLPJPZORGH-UHFFFAOYSA-N 1 0 292.310 2.233 20 10 CECDRO CC(=O)c1cc(F)cc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1O ZINC000842474011 640072203 /nfs/dbraw/zinc/07/22/03/640072203.db2.gz AIAVLNAFPRTBGQ-OKILXGFUSA-N 1 0 292.354 2.060 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCc2ncn(C)n2)c(Cl)c1 ZINC000842738600 640164384 /nfs/dbraw/zinc/16/43/84/640164384.db2.gz OWPUAXUWMDOLRF-UHFFFAOYSA-N 1 0 294.786 2.205 20 10 CECDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1O)[C@]1(O)CCOC1 ZINC000842757841 640171341 /nfs/dbraw/zinc/17/13/41/640171341.db2.gz AWCAMEAVWNZIFZ-HNNXBMFYSA-N 1 0 299.798 2.313 20 10 CECDRO C[NH2+][C@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000843044429 640250176 /nfs/dbraw/zinc/25/01/76/640250176.db2.gz BWXLUHHQCFEZRE-LBPRGKRZSA-N 1 0 254.761 2.148 20 10 CECDRO [NH3+]CC1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000843047738 640252799 /nfs/dbraw/zinc/25/27/99/640252799.db2.gz YRULDPYYWJRJFQ-UHFFFAOYSA-N 1 0 299.758 2.125 20 10 CECDRO C[NH2+]C[C@@H]1CCN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000843052153 640254545 /nfs/dbraw/zinc/25/45/45/640254545.db2.gz IKSRMJXLEZDEBJ-NSHDSACASA-N 1 0 268.788 2.395 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1CC[NH2+]CC1(C)C ZINC000843054002 640256502 /nfs/dbraw/zinc/25/65/02/640256502.db2.gz ASCSZUVMFYYVIX-UHFFFAOYSA-N 1 0 261.413 2.245 20 10 CECDRO CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccc(N)cc1 ZINC000877079198 650562866 /nfs/dbraw/zinc/56/28/66/650562866.db2.gz UXWWIXBQPMNWOX-CQDKDKBSSA-N 1 0 273.380 2.152 20 10 CECDRO Cc1n[nH]c(C)c1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057763 640260120 /nfs/dbraw/zinc/26/01/20/640260120.db2.gz UIQQEBPMQJBGTF-UHFFFAOYSA-N 1 0 270.380 2.438 20 10 CECDRO CC(C)([NH3+])CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843117150 640287000 /nfs/dbraw/zinc/28/70/00/640287000.db2.gz VTLYBLOFIAXKSS-CQSZACIVSA-N 1 0 278.396 2.111 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000877094163 650570075 /nfs/dbraw/zinc/57/00/75/650570075.db2.gz NRNNIQPPLJLADC-STQMWFEESA-N 1 0 260.381 2.415 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([NH3+])[C@H](C)C2)c1O ZINC000843353772 640400533 /nfs/dbraw/zinc/40/05/33/640400533.db2.gz PSCNPJKPLVRVNW-YMTOWFKASA-N 1 0 296.798 2.417 20 10 CECDRO CCN(C[C@@H]1CC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000843357494 640401677 /nfs/dbraw/zinc/40/16/77/640401677.db2.gz NQPQCFSCIZBORF-GFCCVEGCSA-N 1 0 264.369 2.140 20 10 CECDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000843427335 640426896 /nfs/dbraw/zinc/42/68/96/640426896.db2.gz LIZNHIJEWXSQEK-ZWNOBZJWSA-N 1 0 255.333 2.418 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CCS[C@@H]2C)cc1OC ZINC000843435094 640430641 /nfs/dbraw/zinc/43/06/41/640430641.db2.gz QFIRXEZOUVVNTI-KOLCDFICSA-N 1 0 283.393 2.393 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)c(O)c1 ZINC000877121224 650581455 /nfs/dbraw/zinc/58/14/55/650581455.db2.gz LTETXLBSQDXVKB-OAHLLOKOSA-N 1 0 283.375 2.464 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000844166547 640622555 /nfs/dbraw/zinc/62/25/55/640622555.db2.gz DRZZGBQYLBYHDW-INIZCTEOSA-N 1 0 289.423 2.243 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC000153888212 640740976 /nfs/dbraw/zinc/74/09/76/640740976.db2.gz GGQUBBRPXNATEG-NSHDSACASA-N 1 0 292.379 2.062 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cc2cnccn2)c1O ZINC000846142485 641199407 /nfs/dbraw/zinc/19/94/07/641199407.db2.gz ULZPHEDQZBIGAW-RYUDHWBXSA-N 1 0 287.363 2.473 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCOC2)c1O ZINC000846146477 641201600 /nfs/dbraw/zinc/20/16/00/641201600.db2.gz RVIHCZFACBZNIP-MNOVXSKESA-N 1 0 251.326 2.088 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@](C)(O)C(C)C)c1O ZINC000846147424 641202171 /nfs/dbraw/zinc/20/21/71/641202171.db2.gz UXSHRAYCPYYMSD-NHYWBVRUSA-N 1 0 267.369 2.458 20 10 CECDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148876 641203061 /nfs/dbraw/zinc/20/30/61/641203061.db2.gz IBQFUFIOKLUXBP-NWDGAFQWSA-N 1 0 267.369 2.460 20 10 CECDRO COc1cccc([C@H](C)[NH2+]Cc2c[nH]nc2C)c1O ZINC000846154785 641205891 /nfs/dbraw/zinc/20/58/91/641205891.db2.gz MZVSWLHJCXSQEP-JTQLQIEISA-N 1 0 261.325 2.283 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)CO)c1O ZINC000846155247 641205922 /nfs/dbraw/zinc/20/59/22/641205922.db2.gz FOAUTPJUFAJNFL-JTQLQIEISA-N 1 0 253.342 2.070 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC[C@H](C)[S@@](C)=O)c1O ZINC000846154343 641206153 /nfs/dbraw/zinc/20/61/53/641206153.db2.gz PYPUTIDQBKAVDI-ZHYXMNDGSA-N 1 0 285.409 2.209 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(C)(C)O)c1O ZINC000846162553 641208017 /nfs/dbraw/zinc/20/80/17/641208017.db2.gz LEGOGUHCNGITIN-ZJUUUORDSA-N 1 0 253.342 2.211 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCC2CC(O)C2)c1O ZINC000846167105 641209087 /nfs/dbraw/zinc/20/90/87/641209087.db2.gz UECVLNDZRFJRHV-UNXYVOJBSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)C[C@@H](C)O)c1O ZINC000846163035 641209518 /nfs/dbraw/zinc/20/95/18/641209518.db2.gz KGXWMBKHWIZUAI-MXWKQRLJSA-N 1 0 253.342 2.211 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@H](O)C(F)F ZINC000846170418 641211669 /nfs/dbraw/zinc/21/16/69/641211669.db2.gz NNAJEODMUIZVLS-DVYJOKAKSA-N 1 0 289.322 2.456 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCCC2=O)c(O)c1 ZINC000846207072 641221657 /nfs/dbraw/zinc/22/16/57/641221657.db2.gz XXTIRHYQWWDMNU-ZDUSSCGKSA-N 1 0 276.380 2.282 20 10 CECDRO C[C@H]([NH2+][C@H](CO)CCF)c1cc(Cl)ccc1O ZINC000846209847 641222987 /nfs/dbraw/zinc/22/29/87/641222987.db2.gz VUJDFTVEQAMKDZ-WPRPVWTQSA-N 1 0 261.724 2.417 20 10 CECDRO C[C@@H]([NH2+][C@H](CO)CCF)c1ccc(N(C)C)cc1 ZINC000846208776 641223345 /nfs/dbraw/zinc/22/33/45/641223345.db2.gz KZGRNKOEEXXRGW-YPMHNXCESA-N 1 0 254.349 2.124 20 10 CECDRO C[C@H](NC(=O)C1([NH3+])CC2(CCC2)C1)c1ccccc1O ZINC000877256333 650644326 /nfs/dbraw/zinc/64/43/26/650644326.db2.gz SPVIYWLGYSXCGM-NSHDSACASA-N 1 0 274.364 2.231 20 10 CECDRO Cc1nccn1Cc1ccc(N2CCOCC2)cc1 ZINC000846745099 641409117 /nfs/dbraw/zinc/40/91/17/641409117.db2.gz AKKQTKGGWAOJIP-UHFFFAOYSA-N 1 0 257.337 2.076 20 10 CECDRO Cc1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c(O)c1 ZINC000877316992 650671398 /nfs/dbraw/zinc/67/13/98/650671398.db2.gz SLHNBMKHNVPINP-UHFFFAOYSA-N 1 0 291.391 2.330 20 10 CECDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877322418 650675553 /nfs/dbraw/zinc/67/55/53/650675553.db2.gz GJBNAHWVUFUXQS-LLVKDONJSA-N 1 0 271.307 2.406 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCCCn2ccnc2)c1 ZINC000071408745 641762936 /nfs/dbraw/zinc/76/29/36/641762936.db2.gz WMYADUIFSYTBKU-UHFFFAOYSA-N 1 0 259.353 2.467 20 10 CECDRO C[C@@H]([NH2+]CCC1(C)OCCO1)c1ccccc1O ZINC000183906541 641812678 /nfs/dbraw/zinc/81/26/78/641812678.db2.gz JXMPCFPYVLRORM-LLVKDONJSA-N 1 0 251.326 2.196 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)[NH2+]C)cc1 ZINC000848407790 641980719 /nfs/dbraw/zinc/98/07/19/641980719.db2.gz UJHTXUZFQDJUTQ-ZDUSSCGKSA-N 1 0 277.412 2.099 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCn3ccnc3C2)c(O)c1 ZINC000877429725 650716460 /nfs/dbraw/zinc/71/64/60/650716460.db2.gz MEJRWFPMFNIPKJ-ZDUSSCGKSA-N 1 0 257.337 2.002 20 10 CECDRO Nc1ccc(CC(=O)N2CC[C@H](C[NH3+])c3ccccc32)cc1 ZINC000877428908 650716498 /nfs/dbraw/zinc/71/64/98/650716498.db2.gz PJSQETAXIJYBDG-CQSZACIVSA-N 1 0 295.386 2.291 20 10 CECDRO CCc1cccc(C[NH+]2CCC3(COC(=O)N3)CC2)c1O ZINC000848902448 642179841 /nfs/dbraw/zinc/17/98/41/642179841.db2.gz NXVRNEXZXATKMC-UHFFFAOYSA-N 1 0 290.363 2.029 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@]23CCOC3=O)c1O ZINC000848904181 642181138 /nfs/dbraw/zinc/18/11/38/642181138.db2.gz MUUFLKLXZSHKAM-MRXNPFEDSA-N 1 0 275.348 2.236 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1O ZINC000848908083 642184049 /nfs/dbraw/zinc/18/40/49/642184049.db2.gz MRKSVAVDTTWLQI-SUMWQHHRSA-N 1 0 291.391 2.334 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](COC)[C@@H]2CCCO2)c1O ZINC000848907171 642184340 /nfs/dbraw/zinc/18/43/40/642184340.db2.gz JTHKVJTYKUOKLX-GJZGRUSLSA-N 1 0 279.380 2.238 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](CO)c2cccnc2)c1O ZINC000848912182 642186553 /nfs/dbraw/zinc/18/65/53/642186553.db2.gz NRCKNTLYLBPDSU-MRXNPFEDSA-N 1 0 286.375 2.215 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c1O ZINC000848918364 642192388 /nfs/dbraw/zinc/19/23/88/642192388.db2.gz XEWPDWFHZNBRJE-CYBMUJFWSA-N 1 0 284.350 2.384 20 10 CECDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921618572 642270605 /nfs/dbraw/zinc/27/06/05/642270605.db2.gz JHLPKBXBAWOVQL-CHWSQXEVSA-N 1 0 290.407 2.404 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000877492244 650748312 /nfs/dbraw/zinc/74/83/12/650748312.db2.gz HSNKSEXXZBNMHX-CZUORRHYSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000877494283 650750339 /nfs/dbraw/zinc/75/03/39/650750339.db2.gz JIMNXBDMZQKYKV-RHSMWYFYSA-N 1 0 291.391 2.471 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2c(C)cccc2O)o1 ZINC000877526129 650766950 /nfs/dbraw/zinc/76/69/50/650766950.db2.gz GLEXXBRKMXEURT-UHFFFAOYSA-N 1 0 275.304 2.370 20 10 CECDRO OCC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000921769349 642600822 /nfs/dbraw/zinc/60/08/22/642600822.db2.gz BTVIQDCXQOZPOT-OAHLLOKOSA-N 1 0 261.365 2.262 20 10 CECDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc(C)ccc2O)C1 ZINC000850353489 642678694 /nfs/dbraw/zinc/67/86/94/642678694.db2.gz DQGLJYIZKYTUQB-FVQBIDKESA-N 1 0 293.407 2.356 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCO[C@H]2CC2(F)F)c1 ZINC000850365896 642683661 /nfs/dbraw/zinc/68/36/61/642683661.db2.gz SOPWVWDXBFXCLL-ZDUSSCGKSA-N 1 0 287.306 2.305 20 10 CECDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921825245 642695401 /nfs/dbraw/zinc/69/54/01/642695401.db2.gz KZXZDZJTLKKYEL-XJKSGUPXSA-N 1 0 291.391 2.295 20 10 CECDRO COC[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1O ZINC000850429838 642709295 /nfs/dbraw/zinc/70/92/95/642709295.db2.gz KIGHEIZGPXQRFK-HNNXBMFYSA-N 1 0 279.380 2.314 20 10 CECDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921834916 642714592 /nfs/dbraw/zinc/71/45/92/642714592.db2.gz YXNHIAZMRLIVCT-UHFFFAOYSA-N 1 0 277.364 2.300 20 10 CECDRO CON(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000850478730 642725963 /nfs/dbraw/zinc/72/59/63/642725963.db2.gz XAXUBIWWQOWOLO-SECBINFHSA-N 1 0 258.749 2.189 20 10 CECDRO CC(C)[N@H+](Cc1ccc(F)c(F)c1[O-])C1COC1 ZINC000877557842 650787964 /nfs/dbraw/zinc/78/79/64/650787964.db2.gz QRLRERUZVGDNCY-UHFFFAOYSA-N 1 0 257.280 2.280 20 10 CECDRO Cc1ccc(C[NH2+]CCc2nccnc2C)c(O)c1 ZINC000877552275 650782834 /nfs/dbraw/zinc/78/28/34/650782834.db2.gz MQCORLYMGWHMFU-UHFFFAOYSA-N 1 0 257.337 2.131 20 10 CECDRO C1=CCN(CC[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922081838 642869976 /nfs/dbraw/zinc/86/99/76/642869976.db2.gz OWUVNANZGTZEPO-UHFFFAOYSA-N 1 0 272.392 2.363 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000877572635 650794791 /nfs/dbraw/zinc/79/47/91/650794791.db2.gz RLQJOGLCEZSKME-ZWNOBZJWSA-N 1 0 289.297 2.446 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(CCF)c2)c1 ZINC000922217252 642963717 /nfs/dbraw/zinc/96/37/17/642963717.db2.gz NITBELPKZHQVAN-LLVKDONJSA-N 1 0 293.342 2.418 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2c3c(nn2C)CCC3)c1 ZINC000922284980 642999673 /nfs/dbraw/zinc/99/96/73/642999673.db2.gz VMVMCKDHFZJQFJ-UHFFFAOYSA-N 1 0 271.364 2.213 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@H]1C1CC1 ZINC000877616171 650815817 /nfs/dbraw/zinc/81/58/17/650815817.db2.gz FECQFKMEFPKMJO-LSDHHAIUSA-N 1 0 289.375 2.332 20 10 CECDRO Cc1ccc(C[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)c(O)c1 ZINC000877616439 650816326 /nfs/dbraw/zinc/81/63/26/650816326.db2.gz JEYOJTKLXFUMBX-UKRRQHHQSA-N 1 0 277.364 2.079 20 10 CECDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000922641311 643179820 /nfs/dbraw/zinc/17/98/20/643179820.db2.gz KIFDXQZPJYHHBO-GWCFXTLKSA-N 1 0 252.333 2.016 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922722080 643229746 /nfs/dbraw/zinc/22/97/46/643229746.db2.gz AMLBXAPDNXDRET-XQQFMLRXSA-N 1 0 275.348 2.082 20 10 CECDRO CN(C)[C@@H](CC[NH2+]Cc1ccccc1O)C(F)(F)F ZINC000922752252 643239331 /nfs/dbraw/zinc/23/93/31/643239331.db2.gz DDQWSNYMQGXEFW-LBPRGKRZSA-N 1 0 276.302 2.364 20 10 CECDRO Nc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000110380184 643286973 /nfs/dbraw/zinc/28/69/73/643286973.db2.gz 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/nfs/dbraw/zinc/55/28/12/643552812.db2.gz LGVLXYGJJPFTLZ-OAHLLOKOSA-N 1 0 287.407 2.059 20 10 CECDRO O=C(C=C1CC[NH2+]CC1)N1CCN(C2CC2)c2ccccc21 ZINC000852885701 643588767 /nfs/dbraw/zinc/58/87/67/643588767.db2.gz YNEVSSNJSCHNQH-UHFFFAOYSA-N 1 0 297.402 2.312 20 10 CECDRO Cc1cc(Br)cc(C[NH2+]C2(C)COC2)c1O ZINC000877691585 650853028 /nfs/dbraw/zinc/85/30/28/650853028.db2.gz SIFPSCXYYILPOW-UHFFFAOYSA-N 1 0 286.169 2.342 20 10 CECDRO COC(=O)C[C@](C)([NH2+]Cc1cccc(OC)c1O)C1CC1 ZINC000877707390 650863877 /nfs/dbraw/zinc/86/38/77/650863877.db2.gz RTQMOIYFFFXCMB-INIZCTEOSA-N 1 0 293.363 2.222 20 10 CECDRO C[NH2+]C[C@@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000853248730 643722072 /nfs/dbraw/zinc/72/20/72/643722072.db2.gz JIIOIDIDMOJPCB-SNVBAGLBSA-N 1 0 289.345 2.469 20 10 CECDRO C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)Cc2ccccc2O)C1 ZINC000111236503 643734471 /nfs/dbraw/zinc/73/44/71/643734471.db2.gz NGMNSPGTJYXLGY-ZIAGYGMSSA-N 1 0 290.407 2.329 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)[C@@H](C)O)c1 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CCOC(=O)[C@@H](C)C1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000877828251 650924011 /nfs/dbraw/zinc/92/40/11/650924011.db2.gz CJMLHPAUCFCCQT-ZDUSSCGKSA-N 1 0 290.407 2.384 20 10 CECDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2cccc(C)c2O)C1 ZINC000877830502 650926178 /nfs/dbraw/zinc/92/61/78/650926178.db2.gz MDWZZKRFGTXXHO-GFCCVEGCSA-N 1 0 277.364 2.332 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc2c(cc1O)CCCC2 ZINC000756435105 644648966 /nfs/dbraw/zinc/64/89/66/644648966.db2.gz VSOAQGGOEPPZDT-IUODEOHRSA-N 1 0 291.391 2.337 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CC2(C)OCCO2)c2c1c(F)ccc2O ZINC000756779901 644691092 /nfs/dbraw/zinc/69/10/92/644691092.db2.gz NSDHUPOEWPAKGD-ONGXEEELSA-N 1 0 281.327 2.432 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756775455 644691626 /nfs/dbraw/zinc/69/16/26/644691626.db2.gz QPHDNDCCRQMSAI-BZPMIXESSA-N 1 0 276.380 2.266 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(N(C)C)n2)c(O)c1 ZINC000756792117 644693474 /nfs/dbraw/zinc/69/34/74/644693474.db2.gz 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C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCOC1 ZINC000764142665 645617781 /nfs/dbraw/zinc/61/77/81/645617781.db2.gz KLANTIAXVOQPCM-KRWDZBQOSA-N 1 0 290.407 2.134 20 10 CECDRO CCOc1ccc(C[N@H+](CC)CCOC)c(O)c1 ZINC000768252542 646101087 /nfs/dbraw/zinc/10/10/87/646101087.db2.gz SQLKVWHYBBKNDI-UHFFFAOYSA-N 1 0 253.342 2.259 20 10 CECDRO CC[N@H+](CC(=O)NC)Cc1ccc(N2CCCCC2)cc1 ZINC000768304229 646106605 /nfs/dbraw/zinc/10/66/05/646106605.db2.gz ZRQLAHIRLJQHFP-UHFFFAOYSA-N 1 0 289.423 2.245 20 10 CECDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441715 646122887 /nfs/dbraw/zinc/12/28/87/646122887.db2.gz GPDILEMOADUJQJ-UKRRQHHQSA-N 1 0 277.364 2.438 20 10 CECDRO CC(C)C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CC1 ZINC000768440045 646122945 /nfs/dbraw/zinc/12/29/45/646122945.db2.gz CRSAUJDXDYEHGC-HNNXBMFYSA-N 1 0 277.364 2.438 20 10 CECDRO COc1cc(CN2CC[NH+](C3CCC3)CC2)c(O)cc1C ZINC000768448648 646123554 /nfs/dbraw/zinc/12/35/54/646123554.db2.gz UVSNBICYTKPNLB-UHFFFAOYSA-N 1 0 290.407 2.379 20 10 CECDRO CCC[N@H+](CC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444564 646124197 /nfs/dbraw/zinc/12/41/97/646124197.db2.gz MIDWOCUIQGQWDO-CYBMUJFWSA-N 1 0 251.326 2.050 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCCOCC2)c(O)c1 ZINC000768888778 646179106 /nfs/dbraw/zinc/17/91/06/646179106.db2.gz MLGBZBHSNTWPJS-UHFFFAOYSA-N 1 0 251.326 2.013 20 10 CECDRO CC[N@@H+](Cc1c(O)cccc1OC)C[C@@H]1CCCO1 ZINC000769030966 646194713 /nfs/dbraw/zinc/19/47/13/646194713.db2.gz ZBRQSRWLOSLRPU-LBPRGKRZSA-N 1 0 265.353 2.402 20 10 CECDRO CCOc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(O)c1 ZINC000769228965 646227528 /nfs/dbraw/zinc/22/75/28/646227528.db2.gz FJCLDBBADIWBHX-OAHLLOKOSA-N 1 0 290.407 2.461 20 10 CECDRO CCOc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(O)c1 ZINC000769228963 646228020 /nfs/dbraw/zinc/22/80/20/646228020.db2.gz FJCLDBBADIWBHX-HNNXBMFYSA-N 1 0 290.407 2.461 20 10 CECDRO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000769281386 646235502 /nfs/dbraw/zinc/23/55/02/646235502.db2.gz YXSAMGHXRRTZSO-AWEZNQCLSA-N 1 0 276.380 2.225 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1O ZINC000769309743 646241775 /nfs/dbraw/zinc/24/17/75/646241775.db2.gz GBLCNCVWFUNLFI-CQSZACIVSA-N 1 0 287.363 2.434 20 10 CECDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCOC2)c(O)c1 ZINC000769327644 646245728 /nfs/dbraw/zinc/24/57/28/646245728.db2.gz CYCCYBVQOAAYPE-GFCCVEGCSA-N 1 0 251.326 2.012 20 10 CECDRO CC[N@@H+]1CCN(Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000769379594 646256090 /nfs/dbraw/zinc/25/60/90/646256090.db2.gz BYKMINZZUCCXKO-AWEZNQCLSA-N 1 0 261.413 2.279 20 10 CECDRO CC[N@@H+]1C[C@@H](C)N(Cc2cccc(OC)c2O)C[C@H]1C ZINC000769465542 646271982 /nfs/dbraw/zinc/27/19/82/646271982.db2.gz HEBSJBBSLMAZPI-CHWSQXEVSA-N 1 0 278.396 2.315 20 10 CECDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000862027040 646326357 /nfs/dbraw/zinc/32/63/57/646326357.db2.gz HNLWDPDSLJFGNY-CQSZACIVSA-N 1 0 299.374 2.041 20 10 CECDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000769935728 646337184 /nfs/dbraw/zinc/33/71/84/646337184.db2.gz PZVCAEINNFBMQK-ZFDPJTLLSA-N 1 0 266.360 2.308 20 10 CECDRO CN(C)c1cc(F)c(CN2CC[NH+](C3CC3)CC2)cc1F ZINC000862215921 646364683 /nfs/dbraw/zinc/36/46/83/646364683.db2.gz FIOMNCILQGCDTN-UHFFFAOYSA-N 1 0 295.377 2.311 20 10 CECDRO CCOc1ccc(C[N@H+](CCO)[C@@H](C)CC)c(O)c1 ZINC000862388034 646430926 /nfs/dbraw/zinc/43/09/26/646430926.db2.gz UVXYNTQOKDNNAL-LBPRGKRZSA-N 1 0 267.369 2.384 20 10 CECDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc(F)ccc2O)n1 ZINC000862433588 646457824 /nfs/dbraw/zinc/45/78/24/646457824.db2.gz YERFZFQVGJPTGK-UHFFFAOYSA-N 1 0 291.326 2.360 20 10 CECDRO Cc1ccc(O)c(CNC(=O)CCCC[NH+](C)C)c1 ZINC000862759358 646559683 /nfs/dbraw/zinc/55/96/83/646559683.db2.gz CKSVYSURSYMKBQ-UHFFFAOYSA-N 1 0 264.369 2.049 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CCC2)cc1 ZINC000773091852 646706586 /nfs/dbraw/zinc/70/65/86/646706586.db2.gz KTINIVXVKNYGCK-CQSZACIVSA-N 1 0 261.413 2.499 20 10 CECDRO C[C@H]1CC[C@@H](NCc2c(O)cccc2Cl)C[NH2+]1 ZINC000863484209 646740419 /nfs/dbraw/zinc/74/04/19/646740419.db2.gz IAZRDDVBPQZZES-VHSXEESVSA-N 1 0 254.761 2.276 20 10 CECDRO C[C@H]1C[C@H](N[C@@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000863545939 646752633 /nfs/dbraw/zinc/75/26/33/646752633.db2.gz BSKMDTSUETVQDL-NGZCFLSTSA-N 1 0 250.317 2.031 20 10 CECDRO CN(Cc1ccccc1O)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000774043623 646797483 /nfs/dbraw/zinc/79/74/83/646797483.db2.gz LADJXUYLYDXSCQ-UHFFFAOYSA-N 1 0 299.374 2.121 20 10 CECDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000774830422 646900724 /nfs/dbraw/zinc/90/07/24/646900724.db2.gz CNUWGFNUZHOHKH-ZWNOBZJWSA-N 1 0 279.336 2.026 20 10 CECDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccccc3O)nc2c1 ZINC000775179673 646928169 /nfs/dbraw/zinc/92/81/69/646928169.db2.gz OOPXDGXWOCZTNA-UHFFFAOYSA-N 1 0 298.302 2.467 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)n(C)n2)c1 ZINC000775370429 646946363 /nfs/dbraw/zinc/94/63/63/646946363.db2.gz NDMUZGDSVYZPFX-NSHDSACASA-N 1 0 275.352 2.294 20 10 CECDRO CC[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccccc1O ZINC000775501100 646960681 /nfs/dbraw/zinc/96/06/81/646960681.db2.gz BRXWFASMBSCOTI-ZFWWWQNUSA-N 1 0 278.396 2.154 20 10 CECDRO CCc1nncn1CC[NH2+][C@H](CC)c1ccccc1O ZINC000775511106 646961193 /nfs/dbraw/zinc/96/11/93/646961193.db2.gz BIVFDWWILFHTFX-CYBMUJFWSA-N 1 0 274.368 2.287 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864459784 647014886 /nfs/dbraw/zinc/01/48/86/647014886.db2.gz CEKYLSRKEYHOKS-SMDDNHRTSA-N 1 0 260.385 2.083 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CCCn2cncn2)c1O ZINC000776175382 647032377 /nfs/dbraw/zinc/03/23/77/647032377.db2.gz XUTVOLRYAZTVFN-UHFFFAOYSA-N 1 0 280.759 2.125 20 10 CECDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776220343 647038047 /nfs/dbraw/zinc/03/80/47/647038047.db2.gz VTGZXYWWXGZJKT-YPMHNXCESA-N 1 0 297.395 2.296 20 10 CECDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776220341 647038489 /nfs/dbraw/zinc/03/84/89/647038489.db2.gz VTGZXYWWXGZJKT-DGCLKSJQSA-N 1 0 297.395 2.296 20 10 CECDRO COc1cc(O)c(C[NH2+]Cc2ccc(F)cn2)cc1OC ZINC000776251341 647042400 /nfs/dbraw/zinc/04/24/00/647042400.db2.gz BPBNMLKRUQQLMI-UHFFFAOYSA-N 1 0 292.310 2.233 20 10 CECDRO C[NH+]1CCN(c2ccc(CN3CCC(F)(F)C3)cc2)CC1 ZINC000776694997 647082848 /nfs/dbraw/zinc/08/28/48/647082848.db2.gz SUGWYNFQMNEXRC-UHFFFAOYSA-N 1 0 295.377 2.279 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000865466305 647307864 /nfs/dbraw/zinc/30/78/64/647307864.db2.gz SSTJZKMXNAUKQB-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccnn2C)c(O)c1 ZINC000865839693 647486750 /nfs/dbraw/zinc/48/67/50/647486750.db2.gz QLVIYIDHAOCJHD-NSHDSACASA-N 1 0 275.352 2.375 20 10 CECDRO c1cc(C[NH2+][C@]23CCC[C@H]2OCC3)cc2c1OCC2 ZINC000865859384 647508002 /nfs/dbraw/zinc/50/80/02/647508002.db2.gz MRWFXVORIYGMAK-CVEARBPZSA-N 1 0 259.349 2.423 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCOCC3(CC3)C2)c(O)c1 ZINC000783599035 647735563 /nfs/dbraw/zinc/73/55/63/647735563.db2.gz HMFXGWNFKHHRKA-UHFFFAOYSA-N 1 0 277.364 2.403 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+](CCO)C2CCOCC2)c1O ZINC000783716803 647750686 /nfs/dbraw/zinc/75/06/86/647750686.db2.gz CBUXQERSNOYOCE-UHFFFAOYSA-N 1 0 299.798 2.327 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1[C@@H]3OC[C@@H]4C[C@H]1C[C@@H]43)CC2 ZINC000866444724 647789043 /nfs/dbraw/zinc/78/90/43/647789043.db2.gz CARSTEFIICMIKE-XTPYWUFDSA-N 1 0 271.360 2.393 20 10 CECDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868361725 648106696 /nfs/dbraw/zinc/10/66/96/648106696.db2.gz GKMLOPZCFMCISK-OLZOCXBDSA-N 1 0 293.411 2.483 20 10 CECDRO C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccccc1O ZINC000868367154 648109318 /nfs/dbraw/zinc/10/93/18/648109318.db2.gz GBXPGMGWTPCFKF-CHWSQXEVSA-N 1 0 291.395 2.094 20 10 CECDRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1O ZINC000868374392 648111027 /nfs/dbraw/zinc/11/10/27/648111027.db2.gz RBMHRNRPSHHQQW-UPJWGTAASA-N 1 0 291.395 2.235 20 10 CECDRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1O ZINC000868374394 648111358 /nfs/dbraw/zinc/11/13/58/648111358.db2.gz RBMHRNRPSHHQQW-YNEHKIRRSA-N 1 0 291.395 2.235 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)c(O)c1 ZINC000788633824 648210011 /nfs/dbraw/zinc/21/00/11/648210011.db2.gz VADPXSDPMQFCLG-PBHICJAKSA-N 1 0 293.407 2.449 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCSC1 ZINC000790484643 648422233 /nfs/dbraw/zinc/42/22/33/648422233.db2.gz GKTJBSGWSYWCKB-SNVBAGLBSA-N 1 0 253.367 2.244 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000790762184 648445361 /nfs/dbraw/zinc/44/53/61/648445361.db2.gz OPLQBBVUSVXUJV-UTUOFQBUSA-N 1 0 293.363 2.393 20 10 CECDRO Cc1c(C[N@H+](C)Cc2cccc(C)c2O)cnn1C ZINC000790938802 648462924 /nfs/dbraw/zinc/46/29/24/648462924.db2.gz VIDUYRBYJWDHSA-UHFFFAOYSA-N 1 0 259.353 2.375 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@]2(CC)CCOC2)c1 ZINC000791005217 648471890 /nfs/dbraw/zinc/47/18/90/648471890.db2.gz QGTRGHVWPCFTEG-OAHLLOKOSA-N 1 0 265.353 2.450 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1 ZINC000793389449 648749332 /nfs/dbraw/zinc/74/93/32/648749332.db2.gz HZZPGARCYCUQHD-QGZVFWFLSA-N 1 0 289.423 2.230 20 10 CECDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000870865876 648937175 /nfs/dbraw/zinc/93/71/75/648937175.db2.gz LZLROBLVNXQIDG-HDMKZQKVSA-N 1 0 299.418 2.030 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1O ZINC000870988368 648971263 /nfs/dbraw/zinc/97/12/63/648971263.db2.gz NUCWETRAOAJEPM-IJLUTSLNSA-N 1 0 262.353 2.087 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872264720 649333231 /nfs/dbraw/zinc/33/32/31/649333231.db2.gz ZQXNKRPAFWACSM-KGLIPLIRSA-N 1 0 251.301 2.333 20 10 CECDRO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266630 649334990 /nfs/dbraw/zinc/33/49/90/649334990.db2.gz ZPTJZGLAGWNQCC-AOOOYVTPSA-N 1 0 271.719 2.263 20 10 CECDRO CC1(F)CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000872690244 649457257 /nfs/dbraw/zinc/45/72/57/649457257.db2.gz HNFUFHASKZFTJS-UHFFFAOYSA-N 1 0 267.300 2.445 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCN(C)[C@@H](C(C)C)C2)c1O ZINC000872738858 649473040 /nfs/dbraw/zinc/47/30/40/649473040.db2.gz VDSPNORQWXUSHA-OAHLLOKOSA-N 1 0 292.423 2.481 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)cc1C ZINC000873122547 649562957 /nfs/dbraw/zinc/56/29/57/649562957.db2.gz SUCMNDSHNREMCT-MLGOLLRUSA-N 1 0 290.407 2.398 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c1O ZINC000873157171 649574645 /nfs/dbraw/zinc/57/46/45/649574645.db2.gz SQCNVBCXDZJCIL-KWCYVHTRSA-N 1 0 277.364 2.448 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCC[C@@H]2CCOC2=O)cc1C ZINC000873161109 649575587 /nfs/dbraw/zinc/57/55/87/649575587.db2.gz JKEODRSJPBRDGD-CYBMUJFWSA-N 1 0 277.364 2.442 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCC[C@@H]2CCOC2=O)c1 ZINC000873162809 649576044 /nfs/dbraw/zinc/57/60/44/649576044.db2.gz OTYPGHGCPMCKHH-GFCCVEGCSA-N 1 0 293.363 2.224 20 10 CECDRO CN(C)c1ccc(/C=C\CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000873229409 649600359 /nfs/dbraw/zinc/60/03/59/649600359.db2.gz XILMARRPSWDJRM-IMBPEULASA-N 1 0 285.435 2.307 20 10 CECDRO C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(F)cc(F)c1[O-] ZINC000873252084 649610155 /nfs/dbraw/zinc/61/01/55/649610155.db2.gz PCNGKUVGLHUOET-OYNCUSHFSA-N 1 0 256.296 2.058 20 10 CECDRO C[C@@H]([NH2+]Cc1nc(C2CC2)nn1C)c1ccccc1O ZINC000879649621 651335339 /nfs/dbraw/zinc/33/53/39/651335339.db2.gz ZFGMRBMLXGYEGI-SNVBAGLBSA-N 1 0 272.352 2.249 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2O)nn1 ZINC000879649251 651335425 /nfs/dbraw/zinc/33/54/25/651335425.db2.gz LZJYCTPCKAJWHK-SNVBAGLBSA-N 1 0 259.309 2.042 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccnn2C)c1O ZINC000879683578 651338656 /nfs/dbraw/zinc/33/86/56/651338656.db2.gz AYYPLVAUEINUKM-SECBINFHSA-N 1 0 291.326 2.318 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCN(CC(F)F)CC2)cc1C ZINC000128803521 651595544 /nfs/dbraw/zinc/59/55/44/651595544.db2.gz YDKDBGHLYXMZGP-UHFFFAOYSA-N 1 0 284.350 2.392 20 10 CECDRO CC(C)[C@H]([NH3+])c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881270845 651656579 /nfs/dbraw/zinc/65/65/79/651656579.db2.gz CCMYYJIYWRQRAM-HNNXBMFYSA-N 1 0 273.384 2.048 20 10 CECDRO CN(C)c1ccc(C[N@H+](CC(N)=O)C2CCCC2)cc1F ZINC000130082814 652214965 /nfs/dbraw/zinc/21/49/65/652214965.db2.gz NZZSLIZPFBUBGL-UHFFFAOYSA-N 1 0 293.386 2.122 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[NH2+]CCC1(CO)CCC1 ZINC000883158854 652382535 /nfs/dbraw/zinc/38/25/35/652382535.db2.gz TUSVFYKQZAXBEQ-UHFFFAOYSA-N 1 0 271.307 2.313 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000883166914 652385796 /nfs/dbraw/zinc/38/57/96/652385796.db2.gz LOWMCVYVPLHJMX-DOTOQJQBSA-N 1 0 292.423 2.284 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccoc2)c1 ZINC000883269348 652418966 /nfs/dbraw/zinc/41/89/66/652418966.db2.gz HXDRRNYTEIZOOK-AWEZNQCLSA-N 1 0 275.348 2.234 20 10 CECDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000883356236 652440345 /nfs/dbraw/zinc/44/03/45/652440345.db2.gz JMKAFULHWWNWHH-RYUDHWBXSA-N 1 0 264.369 2.146 20 10 CECDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000132100850 652495422 /nfs/dbraw/zinc/49/54/22/652495422.db2.gz QHRPATLVMCVIOE-UKRRQHHQSA-N 1 0 260.381 2.269 20 10 CECDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)N1CCCC1 ZINC000134588962 652858522 /nfs/dbraw/zinc/85/85/22/652858522.db2.gz VYKULIDJXWXQCR-JTQLQIEISA-N 1 0 282.771 2.146 20 10 CECDRO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccccc1O ZINC000135719122 652980083 /nfs/dbraw/zinc/98/00/83/652980083.db2.gz WRTKWCFLMSXMFB-ZDUSSCGKSA-N 1 0 276.380 2.445 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@](C)([NH3+])C2)cc1 ZINC001204762775 805743931 /nfs/dbraw/zinc/74/39/31/805743931.db2.gz DIQRAVIZHNANLZ-INIZCTEOSA-N 1 0 261.413 2.456 20 10 CECDRO COc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(O)c1 ZINC000093645862 806527082 /nfs/dbraw/zinc/52/70/82/806527082.db2.gz FAFROATWKFOFGU-CQSZACIVSA-N 1 0 263.337 2.012 20 10 CECDRO CC[C@@H]([NH2+]C[C@@]1(OC)CCOC1)c1ccccc1O ZINC000160141262 802314027 /nfs/dbraw/zinc/31/40/27/802314027.db2.gz GFXSMNUTQTYWTF-HIFRSBDPSA-N 1 0 265.353 2.238 20 10 CECDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140059137 802551152 /nfs/dbraw/zinc/55/11/52/802551152.db2.gz UUUGIRKXIOJWNN-LLVKDONJSA-N 1 0 281.327 2.306 20 10 CECDRO CC1(C)OCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000693156725 802680099 /nfs/dbraw/zinc/68/00/99/802680099.db2.gz VAVUUDFQNNLWJD-NSHDSACASA-N 1 0 253.317 2.436 20 10 CECDRO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001140463215 802938269 /nfs/dbraw/zinc/93/82/69/802938269.db2.gz WABRUTMMRIVQKL-VXGBXAGGSA-N 1 0 273.735 2.340 20 10 CECDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1O ZINC001140466219 802957680 /nfs/dbraw/zinc/95/76/80/802957680.db2.gz BOOBCHOGUVPBFA-BETUJISGSA-N 1 0 266.772 2.324 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)c1 ZINC000690732074 803079330 /nfs/dbraw/zinc/07/93/30/803079330.db2.gz OKTCELUTNXOTAZ-ZANVPECISA-N 1 0 287.306 2.476 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)C(F)=C(C)C)cc1C ZINC001125599853 803150038 /nfs/dbraw/zinc/15/00/38/803150038.db2.gz YPYXGYUPXWCJIV-UHFFFAOYSA-N 1 0 294.370 2.473 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2nncn2C)c1 ZINC000037017588 814983858 /nfs/dbraw/zinc/98/38/58/814983858.db2.gz CSQJKVFWYYXPHA-WDEREUQCSA-N 1 0 260.341 2.241 20 10 CECDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(N2CCCC2)cc1 ZINC001118242020 814997237 /nfs/dbraw/zinc/99/72/37/814997237.db2.gz UULVZHSFMSBSHQ-QGZVFWFLSA-N 1 0 273.424 2.471 20 10 CECDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000037158078 815021743 /nfs/dbraw/zinc/02/17/43/815021743.db2.gz LAGIAIACILYBJX-JTQLQIEISA-N 1 0 265.744 2.420 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC1CCC1 ZINC000037179536 815023921 /nfs/dbraw/zinc/02/39/21/815023921.db2.gz HUMCZVOFMOJJGZ-UHFFFAOYSA-N 1 0 260.381 2.413 20 10 CECDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)cc(C)c2O)C1 ZINC000165082246 807037146 /nfs/dbraw/zinc/03/71/46/807037146.db2.gz VGHBIQIVIBCYDT-HNNXBMFYSA-N 1 0 290.407 2.309 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)[C@@H](C)C1 ZINC001233013702 807355882 /nfs/dbraw/zinc/35/58/82/807355882.db2.gz SDISOHVHMOBCKH-UWVGGRQHSA-N 1 0 251.326 2.424 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](O)C(F)F)c(O)c1 ZINC000716775361 815146752 /nfs/dbraw/zinc/14/67/52/815146752.db2.gz UEOKFEVKLPSOKH-GXSJLCMTSA-N 1 0 259.296 2.367 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2COC[C@H]2C)c1O ZINC000699846505 807876771 /nfs/dbraw/zinc/87/67/71/807876771.db2.gz IQEGEMYVMBSZSY-KCJUWKMLSA-N 1 0 271.744 2.179 20 10 CECDRO CC(C)(C)c1ccc(O)c(CN2C[C@@H]3C[NH2+]C[C@H]32)c1 ZINC001236290248 808047747 /nfs/dbraw/zinc/04/77/47/808047747.db2.gz JLYIWYTWVUEVQX-GXTWGEPZSA-N 1 0 260.381 2.093 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)C1(O)CCCC1)c1ccc(N(C)C)cc1 ZINC001120354849 815216518 /nfs/dbraw/zinc/21/65/18/815216518.db2.gz IQVIDGKSICKENS-XJKSGUPXSA-N 1 0 292.423 2.069 20 10 CECDRO COCCCOC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001120371423 815217509 /nfs/dbraw/zinc/21/75/09/815217509.db2.gz YHWWWHVLIMXWPM-UHFFFAOYSA-N 1 0 278.396 2.286 20 10 CECDRO CCc1ccc(CN2C[C@H]([NH3+])CC(F)(F)C2)c(O)c1 ZINC001206145791 815233661 /nfs/dbraw/zinc/23/36/61/815233661.db2.gz KOBGMVFUMKSGRK-GFCCVEGCSA-N 1 0 270.323 2.123 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2CC3(C2)OCCO3)cc1F ZINC000922798014 809185596 /nfs/dbraw/zinc/18/55/96/809185596.db2.gz CMKGQAQIALWHEB-UHFFFAOYSA-N 1 0 294.370 2.134 20 10 CECDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCOC1 ZINC000706834360 809856574 /nfs/dbraw/zinc/85/65/74/809856574.db2.gz ZRPQAGUESAFIJX-QMMMGPOBSA-N 1 0 272.142 2.033 20 10 CECDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000710990981 810009569 /nfs/dbraw/zinc/00/95/69/810009569.db2.gz VIYGBVYPZFPTBW-CZUORRHYSA-N 1 0 260.381 2.411 20 10 CECDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000710990983 810009676 /nfs/dbraw/zinc/00/96/76/810009676.db2.gz VIYGBVYPZFPTBW-XJKSGUPXSA-N 1 0 260.381 2.411 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](O)C23CCOCC3)cc1C ZINC000923017832 810055627 /nfs/dbraw/zinc/05/56/27/810055627.db2.gz BZIRPOJXRDHCDQ-HOTGVXAUSA-N 1 0 291.391 2.029 20 10 CECDRO COC[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000381361341 810366824 /nfs/dbraw/zinc/36/68/24/810366824.db2.gz KIQLOYHAYDGELG-AWEZNQCLSA-N 1 0 253.317 2.390 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)CC2CC([NH3+])C2)cc1 ZINC001121909288 815364892 /nfs/dbraw/zinc/36/48/92/815364892.db2.gz MONCUNHOJWPWJL-UHFFFAOYSA-N 1 0 289.423 2.276 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000115489895 810593999 /nfs/dbraw/zinc/59/39/99/810593999.db2.gz QLECWVFUNSBLCG-INIZCTEOSA-N 1 0 291.439 2.263 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCCCO2)c1 ZINC000379236780 810689252 /nfs/dbraw/zinc/68/92/52/810689252.db2.gz SVLLMLCNSMDDAO-NHYWBVRUSA-N 1 0 265.353 2.448 20 10 CECDRO CN(C)C1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691406456 810717546 /nfs/dbraw/zinc/71/75/46/810717546.db2.gz IJODLKGUZCQMPJ-UHFFFAOYSA-N 1 0 299.212 2.339 20 10 CECDRO C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC001122257891 815396926 /nfs/dbraw/zinc/39/69/26/815396926.db2.gz FDOZRCXZWCDYET-IAQYHMDHSA-N 1 0 280.343 2.055 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CC1=CCCOC1 ZINC000379736076 811192949 /nfs/dbraw/zinc/19/29/49/811192949.db2.gz LXXQKJOIRMVESF-UHFFFAOYSA-N 1 0 253.729 2.482 20 10 CECDRO CC(C)OCC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172438244 815436304 /nfs/dbraw/zinc/43/63/04/815436304.db2.gz NXAOARPBSLIIDR-NSHDSACASA-N 1 0 283.368 2.139 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168985940 811312049 /nfs/dbraw/zinc/31/20/49/811312049.db2.gz VSZINGOOXYCEAM-KGLIPLIRSA-N 1 0 277.368 2.288 20 10 CECDRO CC(C)OCC[C@H](C)[NH2+]Cc1cccc(O)c1O ZINC001172442557 815438534 /nfs/dbraw/zinc/43/85/34/815438534.db2.gz LHZREHFBSPHJRL-NSHDSACASA-N 1 0 253.342 2.391 20 10 CECDRO CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001169630137 811597861 /nfs/dbraw/zinc/59/78/61/811597861.db2.gz MIEJZWZUMOEENU-QGZVFWFLSA-N 1 0 289.423 2.195 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000691424636 811646730 /nfs/dbraw/zinc/64/67/30/811646730.db2.gz WANOPAFDKRYCHQ-JSGCOSHPSA-N 1 0 251.301 2.188 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000691428617 811658444 /nfs/dbraw/zinc/65/84/44/811658444.db2.gz MSNDMRMSKVLMFM-GFCCVEGCSA-N 1 0 286.169 2.015 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](CO)C(C)(C)C)c1O ZINC000691436560 811761898 /nfs/dbraw/zinc/76/18/98/811761898.db2.gz RVEJMKIWXHOZMJ-ZDUSSCGKSA-N 1 0 251.370 2.451 20 10 CECDRO CCc1cccc(C[NH2+]CCc2cn(C)cn2)c1O ZINC000691463396 811863368 /nfs/dbraw/zinc/86/33/68/811863368.db2.gz FYDDBOHKXLLRMN-UHFFFAOYSA-N 1 0 259.353 2.020 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC000770380095 811921479 /nfs/dbraw/zinc/92/14/79/811921479.db2.gz LJKHXJOSKWXAJB-TVQRCGJNSA-N 1 0 255.745 2.248 20 10 CECDRO COCC1([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000390592728 813268012 /nfs/dbraw/zinc/26/80/12/813268012.db2.gz ZRUWATQRVHUNIZ-UHFFFAOYSA-N 1 0 286.169 2.423 20 10 CECDRO Cc1cc(CN2CCNC(=O)[C@@H]2C(C)C)ccc1N(C)C ZINC000815045027 813334628 /nfs/dbraw/zinc/33/46/28/813334628.db2.gz MRQSMOHTOQIYTA-INIZCTEOSA-N 1 0 289.423 2.017 20 10 CECDRO c1ncn(CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000394344906 813381759 /nfs/dbraw/zinc/38/17/59/813381759.db2.gz JFVRBHCVVWIVGL-UHFFFAOYSA-N 1 0 299.422 2.448 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000394395637 813391125 /nfs/dbraw/zinc/39/11/25/813391125.db2.gz BLWRHVDMHPZEHX-OAHLLOKOSA-N 1 0 296.798 2.240 20 10 CECDRO C[C@H](CC[NH+](C)C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001135689505 813503294 /nfs/dbraw/zinc/50/32/94/813503294.db2.gz GFLHACXHIQRWHG-CQSZACIVSA-N 1 0 291.439 2.299 20 10 CECDRO CCOc1cccc(C[NH2+][C@@](C)(CO)C(C)C)c1O ZINC000398462713 813674019 /nfs/dbraw/zinc/67/40/19/813674019.db2.gz KACXZQZRAWVNEF-HNNXBMFYSA-N 1 0 267.369 2.288 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCCOC[C@@H]2C)c1O ZINC000398910762 813687697 /nfs/dbraw/zinc/68/76/97/813687697.db2.gz HSRTXDQFDOKQKH-LBPRGKRZSA-N 1 0 265.353 2.402 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC(O)(C2CC2)C2CC2)c1 ZINC000689701617 814009224 /nfs/dbraw/zinc/00/92/24/814009224.db2.gz UOXHCCZWVXYCNL-UHFFFAOYSA-N 1 0 277.364 2.042 20 10 CECDRO [NH3+][C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC(F)(F)C1 ZINC001206117867 814032224 /nfs/dbraw/zinc/03/22/24/814032224.db2.gz XYEKRTKRQLGQMN-CQSZACIVSA-N 1 0 295.377 2.455 20 10 CECDRO Oc1cc(O)c(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(O)c1 ZINC001144503806 814092487 /nfs/dbraw/zinc/09/24/87/814092487.db2.gz DJYYSICQBGRPRI-DTORHVGOSA-N 1 0 285.290 2.281 20 10 CECDRO CC(C)[N@H+](Cc1c(O)cc(O)cc1O)C1CCOCC1 ZINC001144520544 814095092 /nfs/dbraw/zinc/09/50/92/814095092.db2.gz UKMBRCXZGFXAEQ-UHFFFAOYSA-N 1 0 281.352 2.193 20 10 CECDRO C[C@H]1c2cccn2CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144514503 814098041 /nfs/dbraw/zinc/09/80/41/814098041.db2.gz IGSDJXUABITONW-JTQLQIEISA-N 1 0 274.320 2.182 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)C[NH2+]C(C)(C)C ZINC001116074886 814766291 /nfs/dbraw/zinc/76/62/91/814766291.db2.gz YPUPZDQALBFEJY-UHFFFAOYSA-N 1 0 277.412 2.065 20 10 CECDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000712571655 814767403 /nfs/dbraw/zinc/76/74/03/814767403.db2.gz KPWIXYHJCGGUDQ-RYUDHWBXSA-N 1 0 264.369 2.146 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCN(C(=O)CC(C)C)CC2)c1 ZINC001116437289 814853355 /nfs/dbraw/zinc/85/33/55/814853355.db2.gz WTAZLDLTUSSGIL-UHFFFAOYSA-N 1 0 290.407 2.391 20 10 CECDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001116752187 814879693 /nfs/dbraw/zinc/87/96/93/814879693.db2.gz CDUQXYYDMBPTKD-KBPBESRZSA-N 1 0 277.364 2.435 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCc2cnccc2C1 ZINC001138122462 815730570 /nfs/dbraw/zinc/73/05/70/815730570.db2.gz GVPSXYFACKISLB-UHFFFAOYSA-N 1 0 258.296 2.485 20 10 CECDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC001138122488 815732233 /nfs/dbraw/zinc/73/22/33/815732233.db2.gz IQYBWOJAKONZMI-MNOVXSKESA-N 1 0 253.317 2.124 20 10 CECDRO Cc1c(C[NH+]2CC3(COC3)C2)c2ccccc2n1C ZINC001138252770 815754644 /nfs/dbraw/zinc/75/46/44/815754644.db2.gz UGEYPPYPFKDKMH-UHFFFAOYSA-N 1 0 256.349 2.319 20 10 CECDRO Cc1c(C[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2n1C ZINC001138252794 815755056 /nfs/dbraw/zinc/75/50/56/815755056.db2.gz UZXWOLNFWHFSTB-ZDUSSCGKSA-N 1 0 285.391 2.184 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@@H](CO)C2)c2ccccc2n1C ZINC001138257024 815756071 /nfs/dbraw/zinc/75/60/71/815756071.db2.gz SJISQTSTLVLIED-CYBMUJFWSA-N 1 0 258.365 2.301 20 10 CECDRO Cc1c(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c2ccccc2n1C ZINC001138256615 815756428 /nfs/dbraw/zinc/75/64/28/815756428.db2.gz CMLYEWICHMGBFI-STQMWFEESA-N 1 0 256.349 2.460 20 10 CECDRO CN1CCCc2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)C4=O)ccc21 ZINC001138356535 815774285 /nfs/dbraw/zinc/77/42/85/815774285.db2.gz QPJYOPXTORNOCZ-IYBDPMFKSA-N 1 0 284.403 2.480 20 10 CECDRO Cc1cc(C[NH+]2CCN(CCF)CC2)ccc1N(C)C ZINC001139672747 816075747 /nfs/dbraw/zinc/07/57/47/816075747.db2.gz FFDSGGZQNYUWIW-UHFFFAOYSA-N 1 0 279.403 2.148 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCC3(C[C@H](O)CO3)CC2)c1O ZINC001140178197 816204590 /nfs/dbraw/zinc/20/45/90/816204590.db2.gz CEUFTLQPMUZYLK-AWEZNQCLSA-N 1 0 291.391 2.125 20 10 CECDRO Cc1ccc(C)c(C[N@H+](C)Cc2cncnc2)c1O ZINC001140184897 816205582 /nfs/dbraw/zinc/20/55/82/816205582.db2.gz JTSNPQABJPLLHN-UHFFFAOYSA-N 1 0 257.337 2.431 20 10 CECDRO Oc1cc(Cl)ccc1C[NH+]1CCC(n2cnnc2)CC1 ZINC001140465408 816260081 /nfs/dbraw/zinc/26/00/81/816260081.db2.gz MDGZWVIFRQQMJO-UHFFFAOYSA-N 1 0 292.770 2.474 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]3CN(C)C[C@H]32)c1 ZINC001140622565 816305817 /nfs/dbraw/zinc/30/58/17/816305817.db2.gz ABHKKKREWFOEOY-UKRRQHHQSA-N 1 0 260.381 2.227 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)[C@@H]1C ZINC001140623294 816305951 /nfs/dbraw/zinc/30/59/51/816305951.db2.gz NCPVTMDVHCEDCP-OCCSQVGLSA-N 1 0 277.364 2.474 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](N(C)C3CC3)C2)c1 ZINC001140623687 816306075 /nfs/dbraw/zinc/30/60/75/816306075.db2.gz PVGNOYXITPUEQR-OAHLLOKOSA-N 1 0 260.381 2.369 20 10 CECDRO Cc1c(O)ccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1O ZINC001140744131 816339802 /nfs/dbraw/zinc/33/98/02/816339802.db2.gz MXHHDHBDESCRFL-MNOVXSKESA-N 1 0 269.291 2.493 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CCC3(C[C@H]3CCO)CC2)c1O ZINC001140744416 816340109 /nfs/dbraw/zinc/34/01/09/816340109.db2.gz WSLOLWBAKRDHOF-CQSZACIVSA-N 1 0 291.391 2.391 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1O ZINC001140747994 816340984 /nfs/dbraw/zinc/34/09/84/816340984.db2.gz QIBHZHJVICFWBU-CYBMUJFWSA-N 1 0 265.353 2.142 20 10 CECDRO COC(=O)c1cccc(O)c1Nc1cc(C)[nH+]c(C)c1 ZINC001176056747 816343438 /nfs/dbraw/zinc/34/34/38/816343438.db2.gz DURAJMSMCWXSTJ-UHFFFAOYSA-N 1 0 272.304 2.356 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c(O)c1 ZINC001140850980 816383369 /nfs/dbraw/zinc/38/33/69/816383369.db2.gz XMSVDNFYMWVELY-CJNGLKHVSA-N 1 0 292.423 2.441 20 10 CECDRO Cc1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c(O)c1 ZINC001140949448 816422062 /nfs/dbraw/zinc/42/20/62/816422062.db2.gz CDHDHGPMBDGBNY-UHFFFAOYSA-N 1 0 288.391 2.335 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c(O)c1 ZINC001140953620 816423507 /nfs/dbraw/zinc/42/35/07/816423507.db2.gz DXBUEFPREBGIQJ-AWEZNQCLSA-N 1 0 285.347 2.144 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c(O)c1 ZINC001140954445 816424260 /nfs/dbraw/zinc/42/42/60/816424260.db2.gz RTENHOUFTQSPQY-HNNXBMFYSA-N 1 0 299.374 2.452 20 10 CECDRO COc1cc(O)c(C[N@H+]2CCC[C@@H](OC)C2)c(OC)c1 ZINC001141029263 816451708 /nfs/dbraw/zinc/45/17/08/816451708.db2.gz MPYKPUKLOOXBMH-LLVKDONJSA-N 1 0 281.352 2.020 20 10 CECDRO COCC1C[NH+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074557 816469597 /nfs/dbraw/zinc/46/95/97/816469597.db2.gz LZSQQGQAZUULFR-UHFFFAOYSA-N 1 0 286.419 2.464 20 10 CECDRO c1c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001141075464 816472186 /nfs/dbraw/zinc/47/21/86/816472186.db2.gz QROCKCLFCFSNNZ-HDICACEKSA-N 1 0 298.430 2.464 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@@]1(C)O ZINC001141139790 816484070 /nfs/dbraw/zinc/48/40/70/816484070.db2.gz BLPUWQGVTJUIAO-CXAGYDPISA-N 1 0 290.407 2.108 20 10 CECDRO CCC[NH+]1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141144007 816485807 /nfs/dbraw/zinc/48/58/07/816485807.db2.gz SGIKPJTUNRGRCA-UHFFFAOYSA-N 1 0 289.423 2.043 20 10 CECDRO C[C@@]1(CO)CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001141156281 816489753 /nfs/dbraw/zinc/48/97/53/816489753.db2.gz IVYRCOCEHNXPFR-OAHLLOKOSA-N 1 0 265.353 2.082 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](COCC3CC3)C2)c1 ZINC001141159258 816490366 /nfs/dbraw/zinc/49/03/66/816490366.db2.gz AZXRERWJOPJDJC-ZDUSSCGKSA-N 1 0 277.364 2.346 20 10 CECDRO CC(C)OC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141160185 816491876 /nfs/dbraw/zinc/49/18/76/816491876.db2.gz SPWIDRJEVWUWCG-UHFFFAOYSA-N 1 0 265.353 2.487 20 10 CECDRO Oc1ccc(O)c(C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC001141161470 816492406 /nfs/dbraw/zinc/49/24/06/816492406.db2.gz RUOVQJMTYVOVGJ-UHFFFAOYSA-N 1 0 277.364 2.490 20 10 CECDRO CCOCc1cc(C[NH2+]CCCOC)ccc1OC ZINC001177076741 816519287 /nfs/dbraw/zinc/51/92/87/816519287.db2.gz RQCVVYOHAZKVAP-UHFFFAOYSA-N 1 0 267.369 2.358 20 10 CECDRO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000124769442 365658940 /nfs/dbraw/zinc/65/89/40/365658940.db2.gz BCKNCIPJPKMOBZ-ZDUSSCGKSA-N 1 0 263.337 2.146 20 10 CECDRO C[C@@](O)(C[NH2+]Cc1ccccc1O)c1ccsc1 ZINC000077460789 343920751 /nfs/dbraw/zinc/92/07/51/343920751.db2.gz USSVOQQICZTOMM-CQSZACIVSA-N 1 0 263.362 2.451 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCCC[C@@H]2O)c1O ZINC000051991429 362456354 /nfs/dbraw/zinc/45/63/54/362456354.db2.gz PUKIAZBQGOQGEN-STQMWFEESA-N 1 0 265.353 2.184 20 10 CECDRO C[C@H]([NH2+]C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551014 361583807 /nfs/dbraw/zinc/58/38/07/361583807.db2.gz MRIVQKDYLQCSLL-NSHDSACASA-N 1 0 264.344 2.475 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1cc(F)ccc1O ZINC000094618484 364284293 /nfs/dbraw/zinc/28/42/93/364284293.db2.gz VZBKCRZSEROYNE-IACUBPJLSA-N 1 0 294.370 2.045 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2CCOCC2)c1 ZINC000104190170 364684742 /nfs/dbraw/zinc/68/47/42/364684742.db2.gz QDWOWQOPYJDJCA-NSHDSACASA-N 1 0 265.353 2.478 20 10 CECDRO CCC(CC)[C@@H](O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000111404459 364733814 /nfs/dbraw/zinc/73/38/14/364733814.db2.gz JRBBMWBUUHDRGP-ZDUSSCGKSA-N 1 0 281.352 2.008 20 10 CECDRO CCCN(Cc1nnc(C)n1C)Cc1ccccc1O ZINC000170779117 367414297 /nfs/dbraw/zinc/41/42/97/367414297.db2.gz GZMZDWQGAWCLQC-UHFFFAOYSA-N 1 0 274.368 2.241 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@](C)(O)CC)ccc1OC ZINC000171785668 367615095 /nfs/dbraw/zinc/61/50/95/367615095.db2.gz WGTRHXPEIIXMHK-MRXNPFEDSA-N 1 0 281.396 2.482 20 10 CECDRO C[N@H+](CCOCC1CC1)Cc1cc(F)ccc1O ZINC000180231732 368373640 /nfs/dbraw/zinc/37/36/40/368373640.db2.gz PMWUZMIGIVQSJG-UHFFFAOYSA-N 1 0 253.317 2.390 20 10 CECDRO CCOC(=O)N1CCC[N@H+](Cc2cccc(C)c2O)CC1 ZINC000179930141 368358791 /nfs/dbraw/zinc/35/87/91/368358791.db2.gz LPNQVXZIUHSVQM-UHFFFAOYSA-N 1 0 292.379 2.365 20 10 CECDRO CN(C)c1ccc(C[NH2+]C2(C(N)=O)CCCCC2)cc1 ZINC000180045800 368364732 /nfs/dbraw/zinc/36/47/32/368364732.db2.gz DVNXSBDFENLZFS-UHFFFAOYSA-N 1 0 275.396 2.030 20 10 CECDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)NC(C)(C)C ZINC000181234757 368435254 /nfs/dbraw/zinc/43/52/54/368435254.db2.gz RATOBHMDTIGVPI-UWVGGRQHSA-N 1 0 282.359 2.485 20 10 CECDRO CC(=O)c1cc(F)cc(CN(C)CC[N@H+](C)C2CC2)c1O ZINC000186784428 369041526 /nfs/dbraw/zinc/04/15/26/369041526.db2.gz IFKZLULDCOGYFL-UHFFFAOYSA-N 1 0 294.370 2.260 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187761307 369217844 /nfs/dbraw/zinc/21/78/44/369217844.db2.gz HXFPLFGTRYUNIV-NXEZZACHSA-N 1 0 298.333 2.332 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CCC[C@H]2CCO)cc1OC ZINC000190303915 369611747 /nfs/dbraw/zinc/61/17/47/369611747.db2.gz BACNIPWPZPGLST-AAEUAGOBSA-N 1 0 295.379 2.050 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@H](C)OC)c(O)c1 ZINC000191139011 369683813 /nfs/dbraw/zinc/68/38/13/369683813.db2.gz PEBWLGQHBHFZGO-NSHDSACASA-N 1 0 253.342 2.306 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(=O)N(C)C)cc1F ZINC000191738881 369737419 /nfs/dbraw/zinc/73/74/19/369737419.db2.gz RGQBREZOEZNSDB-LBPRGKRZSA-N 1 0 295.402 2.238 20 10 CECDRO COc1ccc(N(C)C(=O)C2=CC[C@H]([NH3+])C2)cc1Cl ZINC000638027441 370252843 /nfs/dbraw/zinc/25/28/43/370252843.db2.gz WLMQUOVJSUDOIR-JTQLQIEISA-N 1 0 280.755 2.359 20 10 CECDRO COc1ccc(N(C)C(=O)C2=CC[C@@H]([NH3+])C2)cc1Cl ZINC000638027442 370252965 /nfs/dbraw/zinc/25/29/65/370252965.db2.gz WLMQUOVJSUDOIR-SNVBAGLBSA-N 1 0 280.755 2.359 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(F)ccc1O ZINC000230659319 370461973 /nfs/dbraw/zinc/46/19/73/370461973.db2.gz IOPOSMAQGAYLOE-WKEGUHRASA-N 1 0 267.222 2.105 20 10 CECDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000268739538 372204386 /nfs/dbraw/zinc/20/43/86/372204386.db2.gz RETFCABGMJFRJS-CHWSQXEVSA-N 1 0 277.412 2.318 20 10 CECDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000268877900 372268169 /nfs/dbraw/zinc/26/81/69/372268169.db2.gz QVFCRPANTAPWFV-OLZOCXBDSA-N 1 0 296.386 2.175 20 10 CECDRO COc1ccc(N2CCC([NH2+]CCC(C)(C)O)CC2)cc1 ZINC000364365051 372737872 /nfs/dbraw/zinc/73/78/72/372737872.db2.gz QZCWDHSHVDLTOQ-UHFFFAOYSA-N 1 0 292.423 2.415 20 10 CECDRO CC1(O)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000271159184 373150906 /nfs/dbraw/zinc/15/09/06/373150906.db2.gz CVADIUBAPRSZRC-UHFFFAOYSA-N 1 0 255.745 2.392 20 10 CECDRO CN(C)c1ccc(CN2CC[NH+](C3CCC3)CC2)cc1 ZINC000271179311 373164069 /nfs/dbraw/zinc/16/40/69/373164069.db2.gz LQIAASDPJMGRDM-UHFFFAOYSA-N 1 0 273.424 2.423 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000367309722 373147452 /nfs/dbraw/zinc/14/74/52/373147452.db2.gz YJFCXCDQKUBHQG-CQSZACIVSA-N 1 0 276.380 2.398 20 10 CECDRO Oc1ccccc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000271474683 373191610 /nfs/dbraw/zinc/19/16/10/373191610.db2.gz ZWXLMBCSARHRMI-UHFFFAOYSA-N 1 0 287.338 2.249 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)[C@@H](CO)C(C)(C)C)c1 ZINC000271802397 373204122 /nfs/dbraw/zinc/20/41/22/373204122.db2.gz LBUZCQUAQQZJDJ-AWEZNQCLSA-N 1 0 267.369 2.240 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@]2(CCOC2)O1 ZINC000370210475 373607014 /nfs/dbraw/zinc/60/70/14/373607014.db2.gz QEFFUGOZUBLGDK-WBVHZDCISA-N 1 0 291.391 2.471 20 10 CECDRO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)[nH]1 ZINC000272863006 373686087 /nfs/dbraw/zinc/68/60/87/373686087.db2.gz NGUIDJMYMNKTCU-VHSXEESVSA-N 1 0 260.341 2.485 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000273175734 373748653 /nfs/dbraw/zinc/74/86/53/373748653.db2.gz NHPSVCBYGHDANU-JKSUJKDBSA-N 1 0 277.364 2.448 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCOCCO)c(O)c1C ZINC000273491301 373759974 /nfs/dbraw/zinc/75/99/74/373759974.db2.gz WQZCEBZEVRKMQH-ZDUSSCGKSA-N 1 0 267.369 2.059 20 10 CECDRO CC[C@H](COC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273553341 373764384 /nfs/dbraw/zinc/76/43/84/373764384.db2.gz GJGVLHOXIAFZAH-CMPLNLGQSA-N 1 0 281.352 2.254 20 10 CECDRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273567922 373765573 /nfs/dbraw/zinc/76/55/73/373765573.db2.gz JYPVYINEVGVRGN-CABCVRRESA-N 1 0 292.423 2.380 20 10 CECDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000273623219 373768996 /nfs/dbraw/zinc/76/89/96/373768996.db2.gz ZTNTZFZNBBXISP-ZBOXLXRLSA-N 1 0 294.370 2.487 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1O ZINC000373807691 374422132 /nfs/dbraw/zinc/42/21/32/374422132.db2.gz WHWSKIAZIGFOFL-GOEBONIOSA-N 1 0 293.338 2.391 20 10 CECDRO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000374905840 374635767 /nfs/dbraw/zinc/63/57/67/374635767.db2.gz ADMWPUPASAYDEH-HNNXBMFYSA-N 1 0 288.391 2.369 20 10 CECDRO CC[C@H]([NH2+][C@H](CO)CCOC)c1ccc(C)cc1O ZINC000281764878 375395801 /nfs/dbraw/zinc/39/58/01/375395801.db2.gz WOSIHVKHGAQDNI-JSGCOSHPSA-N 1 0 267.369 2.139 20 10 CECDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)n(C)n1 ZINC000284002027 375794532 /nfs/dbraw/zinc/79/45/32/375794532.db2.gz PIZBPQDWOUHIHB-UHFFFAOYSA-N 1 0 258.369 2.084 20 10 CECDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000285556849 375840224 /nfs/dbraw/zinc/84/02/24/375840224.db2.gz REKRXFKRERLNLW-DOMZBBRYSA-N 1 0 261.365 2.384 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCC1(O)CCOCC1 ZINC000285642310 375842352 /nfs/dbraw/zinc/84/23/52/375842352.db2.gz XWBXAUYQVSDQSL-UHFFFAOYSA-N 1 0 285.771 2.067 20 10 CECDRO COc1ccc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000289141834 376387379 /nfs/dbraw/zinc/38/73/79/376387379.db2.gz AITCMVXTHRFBQN-CJNGLKHVSA-N 1 0 290.407 2.459 20 10 CECDRO COc1cccc(C[NH2+]Cc2cccc(O)c2OC)c1O ZINC000289176325 376388540 /nfs/dbraw/zinc/38/85/40/376388540.db2.gz AAIWJLAALIOQOY-UHFFFAOYSA-N 1 0 289.331 2.405 20 10 CECDRO Cc1ccc(O)c(C[N@H+](CCCO)Cc2ccccn2)c1 ZINC000289176455 376389229 /nfs/dbraw/zinc/38/92/29/376389229.db2.gz ABUUPQQOXQNYRS-UHFFFAOYSA-N 1 0 286.375 2.480 20 10 CECDRO COc1cccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1O ZINC000289334080 376391371 /nfs/dbraw/zinc/39/13/71/376391371.db2.gz HBJZJRZJWQBXDW-TXEJJXNPSA-N 1 0 251.326 2.010 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CCO)c1 ZINC000097440108 295168579 /nfs/dbraw/zinc/16/85/79/295168579.db2.gz NXGAXIUNOODUCV-QWRGUYRKSA-N 1 0 253.342 2.070 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)C(C)(C)O)c1O ZINC000295047438 378036871 /nfs/dbraw/zinc/03/68/71/378036871.db2.gz AVWXBGNWNBSFQK-SNVBAGLBSA-N 1 0 283.343 2.325 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H](CO)C2)cc1F ZINC000295125438 378043628 /nfs/dbraw/zinc/04/36/28/378043628.db2.gz XHFSGGHCIVOEOZ-OLZOCXBDSA-N 1 0 266.360 2.142 20 10 CECDRO CCC[NH2+][C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000295157554 378044779 /nfs/dbraw/zinc/04/47/79/378044779.db2.gz KELBXRMUKKXYNN-GFCCVEGCSA-N 1 0 290.407 2.275 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccccc1O ZINC000295193032 378047416 /nfs/dbraw/zinc/04/74/16/378047416.db2.gz XNUKLRZVPXFQSU-GOEBONIOSA-N 1 0 292.423 2.280 20 10 CECDRO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000295210065 378053303 /nfs/dbraw/zinc/05/33/03/378053303.db2.gz ZZFSUIKCCKPVAF-SNVBAGLBSA-N 1 0 298.770 2.318 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)NC(C)(C)C ZINC000295787451 378303405 /nfs/dbraw/zinc/30/34/05/378303405.db2.gz ABDOCUYZBCMXCF-ZYHUDNBSSA-N 1 0 276.380 2.272 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295826689 378320444 /nfs/dbraw/zinc/32/04/44/378320444.db2.gz DRWLZKHQSCXZQI-YPMHNXCESA-N 1 0 276.380 2.274 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295826682 378320472 /nfs/dbraw/zinc/32/04/72/378320472.db2.gz DRWLZKHQSCXZQI-DGCLKSJQSA-N 1 0 276.380 2.274 20 10 CECDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000295918704 378355964 /nfs/dbraw/zinc/35/59/64/378355964.db2.gz FDSIJKKRUBAVLE-SNVBAGLBSA-N 1 0 298.358 2.087 20 10 CECDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296666482 378611116 /nfs/dbraw/zinc/61/11/16/378611116.db2.gz FPJAABBICDOWBD-AJLCLMPTSA-N 1 0 267.394 2.126 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000296698304 378621698 /nfs/dbraw/zinc/62/16/98/378621698.db2.gz IBELCDYCLAHTBA-GOEBONIOSA-N 1 0 289.423 2.276 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCCO[C@H]1CCOC1)CC2 ZINC000297540143 378686759 /nfs/dbraw/zinc/68/67/59/378686759.db2.gz DYWBIMHDKVUDBG-UONOGXRCSA-N 1 0 277.364 2.165 20 10 CECDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487554677 380086900 /nfs/dbraw/zinc/08/69/00/380086900.db2.gz RULYFMSEMDHBPI-IUODEOHRSA-N 1 0 299.418 2.301 20 10 CECDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000529668475 380183708 /nfs/dbraw/zinc/18/37/08/380183708.db2.gz GHOABQDYDPCGAD-QOBXEIRBSA-N 1 0 253.317 2.433 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1COCCN1)c1cc(Cl)ccc1O ZINC000530223917 380197287 /nfs/dbraw/zinc/19/72/87/380197287.db2.gz IXPUBWKDZYKBMV-WCQYABFASA-N 1 0 284.787 2.075 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@](C)(O)C(F)(F)F)cc1C ZINC000270460571 394734608 /nfs/dbraw/zinc/73/46/08/394734608.db2.gz FNDSYJKUCPTQFV-LBPRGKRZSA-N 1 0 277.286 2.412 20 10 CECDRO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)Cc1ccccc1O ZINC000109771878 394735013 /nfs/dbraw/zinc/73/50/13/394735013.db2.gz HGEYRKZSIBIZQE-AWEZNQCLSA-N 1 0 290.407 2.471 20 10 CECDRO C[C@@H](C(=O)Nc1nccs1)[N@H+](C)Cc1ccccc1O ZINC000109773127 394735531 /nfs/dbraw/zinc/73/55/31/394735531.db2.gz MZMRHMGUGQNXOZ-JTQLQIEISA-N 1 0 291.376 2.308 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C)Cc1cccc(C)c1O ZINC000124564360 394838440 /nfs/dbraw/zinc/83/84/40/394838440.db2.gz VZBBULUGYWAJRI-UHFFFAOYSA-N 1 0 264.369 2.001 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1O ZINC000364447160 394904009 /nfs/dbraw/zinc/90/40/09/394904009.db2.gz KIRPEVSTEUPTHE-LBPRGKRZSA-N 1 0 267.756 2.311 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000364637125 394913450 /nfs/dbraw/zinc/91/34/50/394913450.db2.gz OCEKWNKVRAOSGA-WFASDCNBSA-N 1 0 281.327 2.430 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCOC2)c1 ZINC000132167996 394925768 /nfs/dbraw/zinc/92/57/68/394925768.db2.gz ICTHQMHHFWZQNY-GFCCVEGCSA-N 1 0 251.326 2.012 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1 ZINC000132188970 394926085 /nfs/dbraw/zinc/92/60/85/394926085.db2.gz FASLEKXTSXJBQP-MNOVXSKESA-N 1 0 251.326 2.010 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H](O)COC)cc1 ZINC000153718097 395015457 /nfs/dbraw/zinc/01/54/57/395015457.db2.gz BMPAASJETNVFEQ-MRXNPFEDSA-N 1 0 280.412 2.020 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1O ZINC000135213458 394963744 /nfs/dbraw/zinc/96/37/44/394963744.db2.gz MFLDAFWLCXNSQP-WCQYABFASA-N 1 0 265.353 2.306 20 10 CECDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000368131662 394979554 /nfs/dbraw/zinc/97/95/54/394979554.db2.gz BDWKAAXSXKARIE-CYBMUJFWSA-N 1 0 257.337 2.115 20 10 CECDRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(C)ccc1O)C2 ZINC000372951707 395049992 /nfs/dbraw/zinc/04/99/92/395049992.db2.gz JXDOCOGCWSJSHU-RHSMWYFYSA-N 1 0 289.375 2.476 20 10 CECDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000373739230 395065261 /nfs/dbraw/zinc/06/52/61/395065261.db2.gz VOHJHMFYEHLAQR-IUPBHXKESA-N 1 0 294.782 2.131 20 10 CECDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000161835747 395065935 /nfs/dbraw/zinc/06/59/35/395065935.db2.gz WRDHTWHOARHVDD-ZDUSSCGKSA-N 1 0 277.412 2.272 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC000372359315 395040372 /nfs/dbraw/zinc/04/03/72/395040372.db2.gz UUWIZSGERRNLGO-INIZCTEOSA-N 1 0 274.408 2.490 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1 ZINC000372756984 395046017 /nfs/dbraw/zinc/04/60/17/395046017.db2.gz ICHRQMRYFAFHJI-GJZGRUSLSA-N 1 0 289.375 2.271 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000376032507 395107927 /nfs/dbraw/zinc/10/79/27/395107927.db2.gz ZWURIQLTZDGMQO-XHDPSFHLSA-N 1 0 263.337 2.012 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H]2COC)c1O ZINC000293542042 395239178 /nfs/dbraw/zinc/23/91/78/395239178.db2.gz CYYSYFSPFBYEJM-GFCCVEGCSA-N 1 0 251.326 2.012 20 10 CECDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@@H](C)CO ZINC000293562509 395240227 /nfs/dbraw/zinc/24/02/27/395240227.db2.gz GEMSIJMHGUNTSI-NSHDSACASA-N 1 0 254.349 2.094 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCSC2)c1O ZINC000182558224 395243730 /nfs/dbraw/zinc/24/37/30/395243730.db2.gz FPHRIKGDAIMGPM-ZDUSSCGKSA-N 1 0 287.812 2.312 20 10 CECDRO COC[C@H](CCO)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293653572 395245211 /nfs/dbraw/zinc/24/52/11/395245211.db2.gz ISOPEZIACHNJDO-STQMWFEESA-N 1 0 267.369 2.057 20 10 CECDRO COC[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000293673621 395246853 /nfs/dbraw/zinc/24/68/53/395246853.db2.gz PAODTGVDFXEDGN-NSHDSACASA-N 1 0 271.744 2.275 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000179443882 395193444 /nfs/dbraw/zinc/19/34/44/395193444.db2.gz PVFCWCDHFHUHCZ-NSHDSACASA-N 1 0 281.352 2.020 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000179563974 395195059 /nfs/dbraw/zinc/19/50/59/395195059.db2.gz XSPKSWYNHHKRRY-OAHLLOKOSA-N 1 0 260.381 2.452 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](CC)[C@H](O)C(F)F)c1O ZINC000295114505 395286067 /nfs/dbraw/zinc/28/60/67/395286067.db2.gz VMIRZGOQLDXSBO-MFKMUULPSA-N 1 0 289.322 2.285 20 10 CECDRO Cc1nccnc1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297475501 395341840 /nfs/dbraw/zinc/34/18/40/395341840.db2.gz YVEQPZJMRLXMHO-CQSZACIVSA-N 1 0 269.348 2.310 20 10 CECDRO CN(C)[C@@H](C[NH2+]Cc1ccccc1O)c1ccco1 ZINC000020122156 171002033 /nfs/dbraw/zinc/00/20/33/171002033.db2.gz VGHPRDDZCHQYNU-ZDUSSCGKSA-N 1 0 260.337 2.378 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(C)n2)c1 ZINC000038037357 174037384 /nfs/dbraw/zinc/03/73/84/174037384.db2.gz KKCZVCAHAYIZLU-JTQLQIEISA-N 1 0 273.336 2.350 20 10 CECDRO CC[N@H+](CCC(=O)OC)Cc1cc(C)c(C)cc1O ZINC000151971424 261057689 /nfs/dbraw/zinc/05/76/89/261057689.db2.gz KLDCBZPQMQBQMR-UHFFFAOYSA-N 1 0 265.353 2.394 20 10 CECDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000152451314 261064394 /nfs/dbraw/zinc/06/43/94/261064394.db2.gz CIAMCBCNGCWLQU-PELKAZGASA-N 1 0 275.801 2.248 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)Cn1cncn1)c1ccccc1O ZINC000155435156 261102137 /nfs/dbraw/zinc/10/21/37/261102137.db2.gz FDHDLQSIZWWIDL-DGCLKSJQSA-N 1 0 260.341 2.113 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1O ZINC000156689253 261129476 /nfs/dbraw/zinc/12/94/76/261129476.db2.gz KHHFQEYNAPNFDA-BXUZGUMPSA-N 1 0 274.364 2.196 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000361050586 261152790 /nfs/dbraw/zinc/15/27/90/261152790.db2.gz HRSKWOYHYXLUSD-VXGBXAGGSA-N 1 0 265.328 2.390 20 10 CECDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000160382867 261212767 /nfs/dbraw/zinc/21/27/67/261212767.db2.gz RUUITOTZUWMONO-DOMZBBRYSA-N 1 0 299.422 2.318 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1O ZINC000183613922 261982312 /nfs/dbraw/zinc/98/23/12/261982312.db2.gz HFQRZEQSBQQIEK-VXGBXAGGSA-N 1 0 276.380 2.442 20 10 CECDRO COc1cc(Cl)cc(C[NH+]2CCC(CO)CC2)c1O ZINC000184677832 262026053 /nfs/dbraw/zinc/02/60/53/262026053.db2.gz MQTYVCACMJTMLH-UHFFFAOYSA-N 1 0 285.771 2.259 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CO)c1O ZINC000184683502 262026094 /nfs/dbraw/zinc/02/60/94/262026094.db2.gz CGBASZPPZJIMSF-NSHDSACASA-N 1 0 271.744 2.011 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1 ZINC000185449730 262055293 /nfs/dbraw/zinc/05/52/93/262055293.db2.gz XNMHQZBCHUITAM-AWEZNQCLSA-N 1 0 292.423 2.462 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c(O)c1 ZINC000186090074 262078731 /nfs/dbraw/zinc/07/87/31/262078731.db2.gz UNIGSVFHUOHLCT-GFCCVEGCSA-N 1 0 297.420 2.176 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185467105 262304905 /nfs/dbraw/zinc/30/49/05/262304905.db2.gz RMQAWVNUUXPQNI-DOMZBBRYSA-N 1 0 267.369 2.139 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](CC)CCOCCO)cc1 ZINC000282695376 263078075 /nfs/dbraw/zinc/07/80/75/263078075.db2.gz JHZIHEXDHGCNIY-UHFFFAOYSA-N 1 0 294.439 2.364 20 10 CECDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000290158707 263114946 /nfs/dbraw/zinc/11/49/46/263114946.db2.gz LTMAFXWMRVIMGF-HOTGVXAUSA-N 1 0 289.423 2.003 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCCC2(C)C)cc1 ZINC000298314337 263217854 /nfs/dbraw/zinc/21/78/54/263217854.db2.gz YUZMUXXLWQDETI-UHFFFAOYSA-N 1 0 289.423 2.243 20 10 CECDRO Cc1ccc(O)c(CN2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000367535895 267098634 /nfs/dbraw/zinc/09/86/34/267098634.db2.gz NBJSJBYCUFBBEL-HNNXBMFYSA-N 1 0 292.448 2.324 20 10 CECDRO CCOc1ccc(O)c(CN2CC[NH+]3CCC2CC3)c1 ZINC000367688488 267108678 /nfs/dbraw/zinc/10/86/78/267108678.db2.gz OXJLUMNCIKEIMC-UHFFFAOYSA-N 1 0 276.380 2.071 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccccc1O ZINC000367785881 267118106 /nfs/dbraw/zinc/11/81/06/267118106.db2.gz XEPVDVDTWKCWMC-CHWSQXEVSA-N 1 0 286.379 2.055 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)[C@]12CCCO2 ZINC000368698221 267197968 /nfs/dbraw/zinc/19/79/68/267197968.db2.gz JUSAUTXFDFNCHY-BZUAXINKSA-N 1 0 295.354 2.348 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2ccccc2O)CC12CCC2 ZINC000369650281 267257517 /nfs/dbraw/zinc/25/75/17/267257517.db2.gz UOLCZBSHKCFBEC-CYBMUJFWSA-N 1 0 275.348 2.167 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cccc(C)c2O)C[C@@]2(CCOC2)O1 ZINC000370210472 267298972 /nfs/dbraw/zinc/29/89/72/267298972.db2.gz QEFFUGOZUBLGDK-DOTOQJQBSA-N 1 0 291.391 2.471 20 10 CECDRO COC(=O)[C@@H](C)C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000370736265 267343165 /nfs/dbraw/zinc/34/31/65/267343165.db2.gz BZGNFRHPIOJUHC-ZDUSSCGKSA-N 1 0 288.391 2.261 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c1 ZINC000371383639 267397114 /nfs/dbraw/zinc/39/71/14/267397114.db2.gz OUUOPXXSWNYANU-OAHLLOKOSA-N 1 0 288.391 2.191 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@]2(CCOC2)O1 ZINC000373498660 267684297 /nfs/dbraw/zinc/68/42/97/267684297.db2.gz ZYPMJJNGZUFKNJ-RDJZCZTQSA-N 1 0 291.391 2.471 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1O ZINC000377265695 268061999 /nfs/dbraw/zinc/06/19/99/268061999.db2.gz HFIPOSXRBHPXME-MRXNPFEDSA-N 1 0 293.338 2.081 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000288644694 273821364 /nfs/dbraw/zinc/82/13/64/273821364.db2.gz UQTXRLBTSWFMGR-WMZOPIPTSA-N 1 0 298.386 2.337 20 10 CECDRO CCN(CC[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000297877846 276132258 /nfs/dbraw/zinc/13/22/58/276132258.db2.gz UWWXWLYGHKJGBE-AWEZNQCLSA-N 1 0 260.381 2.453 20 10 CECDRO COC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@H]1CCCO1 ZINC000296591188 277599132 /nfs/dbraw/zinc/59/91/32/277599132.db2.gz WVTQBFHEPPNXDO-VNHYZAJKSA-N 1 0 277.364 2.163 20 10 CECDRO CCN(CC[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000297877848 279207170 /nfs/dbraw/zinc/20/71/70/279207170.db2.gz UWWXWLYGHKJGBE-CQSZACIVSA-N 1 0 260.381 2.453 20 10 CECDRO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(OC)ccc1O ZINC000131498791 281220520 /nfs/dbraw/zinc/22/05/20/281220520.db2.gz QLQJGZPPLXZEMO-YPMHNXCESA-N 1 0 265.353 2.400 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000185361196 327838582 /nfs/dbraw/zinc/83/85/82/327838582.db2.gz JPRDOMFKOVMFRJ-AWEZNQCLSA-N 1 0 292.423 2.462 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186811923 327854750 /nfs/dbraw/zinc/85/47/50/327854750.db2.gz DCOYOCCLXPECAV-GFCCVEGCSA-N 1 0 290.407 2.400 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c1O ZINC000271259450 327525922 /nfs/dbraw/zinc/52/59/22/327525922.db2.gz AJXZIYVRVQDTRB-RYUDHWBXSA-N 1 0 265.353 2.306 20 10 CECDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000377881912 329033091 /nfs/dbraw/zinc/03/30/91/329033091.db2.gz AWGPCVGKHGSTRI-NSHDSACASA-N 1 0 275.327 2.254 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000187343097 329355530 /nfs/dbraw/zinc/35/55/30/329355530.db2.gz GRBRRFOVURUJBQ-NFAWXSAZSA-N 1 0 263.337 2.058 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000527746578 330280385 /nfs/dbraw/zinc/28/03/85/330280385.db2.gz VRYPCEKEUYRMKJ-LBPRGKRZSA-N 1 0 285.269 2.482 20 10 CECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000219887720 333158748 /nfs/dbraw/zinc/15/87/48/333158748.db2.gz QVRPSKLSRLVJNF-GOEBONIOSA-N 1 0 290.407 2.180 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000230316843 333316567 /nfs/dbraw/zinc/31/65/67/333316567.db2.gz JMEYBAHKUWZABP-CVEARBPZSA-N 1 0 260.381 2.410 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CCO)C(C)C)c1 ZINC000230664192 333320172 /nfs/dbraw/zinc/32/01/72/333320172.db2.gz NLTIHQNIFIVZBM-SMDDNHRTSA-N 1 0 267.369 2.458 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H]2CCO)c1O ZINC000050132855 518282745 /nfs/dbraw/zinc/28/27/45/518282745.db2.gz LTYRZVRHTCEYEZ-AWEZNQCLSA-N 1 0 295.354 2.471 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)[C@]12CCCO2 ZINC000272650468 520430474 /nfs/dbraw/zinc/43/04/74/520430474.db2.gz FKXSDGITPSEBCV-ARFHVFGLSA-N 1 0 277.364 2.208 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C2CCN(C=O)CC2)cc1 ZINC000278330417 520905668 /nfs/dbraw/zinc/90/56/68/520905668.db2.gz WEYJZWYJVCYQDD-UHFFFAOYSA-N 1 0 289.423 2.243 20 10 CECDRO CC1CCN(c2ccc(CNC(=O)CCC[NH3+])cc2)CC1 ZINC000236730922 521042393 /nfs/dbraw/zinc/04/23/93/521042393.db2.gz OHHGKFDKOACOTL-UHFFFAOYSA-N 1 0 289.423 2.278 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000126447969 521138617 /nfs/dbraw/zinc/13/86/17/521138617.db2.gz ZJTGLHMHZCSTSR-UKRRQHHQSA-N 1 0 289.423 2.414 20 10 CECDRO CCC(O)(CC)C[NH2+]Cc1cc(OC)ccc1O ZINC000087013937 521656358 /nfs/dbraw/zinc/65/63/58/521656358.db2.gz BZUKMNYSMSQFPY-UHFFFAOYSA-N 1 0 253.342 2.042 20 10 CECDRO COc1c(O)c(C[N@@H+]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278281688 521872189 /nfs/dbraw/zinc/87/21/89/521872189.db2.gz TURMDSGFULAOSI-SECBINFHSA-N 1 0 266.297 2.293 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H](CO)C(C)C)c1O ZINC000228675837 522541197 /nfs/dbraw/zinc/54/11/97/522541197.db2.gz XORPAJGGBLCTNW-LLVKDONJSA-N 1 0 273.760 2.161 20 10 CECDRO CC[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N(C)C)cc1 ZINC000280836603 522565847 /nfs/dbraw/zinc/56/58/47/522565847.db2.gz LMQZRDKUNONSFF-ZDUSSCGKSA-N 1 0 299.365 2.175 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1ccccc1O ZINC000274896956 522946583 /nfs/dbraw/zinc/94/65/83/522946583.db2.gz KKEIOEODQYCGTR-GXTWGEPZSA-N 1 0 276.380 2.442 20 10 CECDRO COCCO[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000276085363 524036920 /nfs/dbraw/zinc/03/69/20/524036920.db2.gz XJZVMUMVPOMCMQ-NSHDSACASA-N 1 0 285.771 2.283 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2cccnc2OC)c1 ZINC000290975850 524752566 /nfs/dbraw/zinc/75/25/66/524752566.db2.gz SXTKWVDXBCOPBQ-UHFFFAOYSA-N 1 0 288.347 2.137 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)[C@@H](C)OC)c1 ZINC000290036105 524764999 /nfs/dbraw/zinc/76/49/99/524764999.db2.gz DEIUVXCYWVSRCT-GMTAPVOTSA-N 1 0 253.342 2.475 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nccnc2C)c1 ZINC000294853003 524768880 /nfs/dbraw/zinc/76/88/80/524768880.db2.gz BLRVBCRNOIVDLN-NSHDSACASA-N 1 0 287.363 2.393 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2snnc2C)c1 ZINC000293839086 524772547 /nfs/dbraw/zinc/77/25/47/524772547.db2.gz WUQGVFSODGFMDK-QMMMGPOBSA-N 1 0 279.365 2.412 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)c1 ZINC000278555457 524774660 /nfs/dbraw/zinc/77/46/60/524774660.db2.gz OVWIJGXDULEESA-MJVIPROJSA-N 1 0 265.353 2.476 20 10 CECDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000290131477 524784066 /nfs/dbraw/zinc/78/40/66/524784066.db2.gz JRGHPTUVKGRGTP-QWRGUYRKSA-N 1 0 253.317 2.124 20 10 CECDRO COc1cccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1O ZINC000290466441 525917774 /nfs/dbraw/zinc/91/77/74/525917774.db2.gz NGVPPFVBGGCZOK-TZMCWYRMSA-N 1 0 278.396 2.173 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c(O)c1 ZINC000297385151 525937396 /nfs/dbraw/zinc/93/73/96/525937396.db2.gz RKLJQYVQGIUJOI-LSDHHAIUSA-N 1 0 292.423 2.198 20 10 CECDRO COc1cccc(C[NH2+]Cc2nccs2)c1O ZINC000041011732 526027055 /nfs/dbraw/zinc/02/70/55/526027055.db2.gz QVMWKNATCXCVPW-UHFFFAOYSA-N 1 0 250.323 2.147 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)CN(C)C(C)C)c1O ZINC000289974393 526037547 /nfs/dbraw/zinc/03/75/47/526037547.db2.gz ZEDHMMROJUYRDH-GFCCVEGCSA-N 1 0 266.385 2.219 20 10 CECDRO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cn1 ZINC000050286812 527218106 /nfs/dbraw/zinc/21/81/06/527218106.db2.gz VLTIOYVDTKEOIT-UHFFFAOYSA-N 1 0 270.380 2.092 20 10 CECDRO Cn1cncc1C[NH2+]Cc1cc(Br)ccc1O ZINC000289577891 527509554 /nfs/dbraw/zinc/50/95/54/527509554.db2.gz JUZCNNNYWHOSQT-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO OC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1O ZINC000063218153 527608211 /nfs/dbraw/zinc/60/82/11/527608211.db2.gz IQSMBJVFCKJXSZ-HNNXBMFYSA-N 1 0 257.333 2.085 20 10 CECDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000731451394 574596476 /nfs/dbraw/zinc/59/64/76/574596476.db2.gz YIMQTXFKOXRXHU-CQSZACIVSA-N 1 0 285.395 2.057 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@](C)(O)C2CC2)ccc1OC ZINC000732669686 574625648 /nfs/dbraw/zinc/62/56/48/574625648.db2.gz REQJWFAIPGAEKZ-KRWDZBQOSA-N 1 0 293.407 2.482 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000756118310 574797182 /nfs/dbraw/zinc/79/71/82/574797182.db2.gz LZZSEFVHJQLXAQ-CJNGLKHVSA-N 1 0 261.413 2.101 20 10 CECDRO O=C(C1=CC(=O)CS1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000743711695 575109017 /nfs/dbraw/zinc/10/90/17/575109017.db2.gz CGXWDOSYAWHEKA-LBPRGKRZSA-N 1 0 294.420 2.402 20 10 CECDRO COC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000743474198 575104993 /nfs/dbraw/zinc/10/49/93/575104993.db2.gz RJTCWQMLXODVLG-UONOGXRCSA-N 1 0 278.396 2.209 20 10 CECDRO C[C@H]1CCN(CC[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000744450213 575121685 /nfs/dbraw/zinc/12/16/85/575121685.db2.gz WNVIOGQBIWAWGJ-ZDUSSCGKSA-N 1 0 260.381 2.053 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)[NH+](C)C)cc1 ZINC000750601209 575270506 /nfs/dbraw/zinc/27/05/06/575270506.db2.gz OTXLAPFZLIRVDI-AWEZNQCLSA-N 1 0 291.439 2.441 20 10 CECDRO C[NH+](C)CCCCC(=O)NCc1cccc(Cl)c1O ZINC000890760722 622932722 /nfs/dbraw/zinc/93/27/22/622932722.db2.gz XRNBKAWRXMTTRP-UHFFFAOYSA-N 1 0 284.787 2.394 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H](C[NH3+])C2)c1O ZINC000050250128 623374903 /nfs/dbraw/zinc/37/49/03/623374903.db2.gz WREXTMSOIZHJIA-SNVBAGLBSA-N 1 0 282.771 2.029 20 10 CECDRO Nc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000052063964 625648180 /nfs/dbraw/zinc/64/81/80/625648180.db2.gz IDCQFVLHWDKGTE-UHFFFAOYSA-N 1 0 288.395 2.361 20 10 CECDRO COc1ccc(C[N@H+](C)[C@@H]2CCSC2)c(O)c1OC ZINC000891602589 623820907 /nfs/dbraw/zinc/82/09/07/623820907.db2.gz QZECVYNUDZBZRZ-LLVKDONJSA-N 1 0 283.393 2.347 20 10 CECDRO CC(C)CNC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000849048100 624735251 /nfs/dbraw/zinc/73/52/51/624735251.db2.gz CATGKFOLOIHELH-UHFFFAOYSA-N 1 0 255.749 2.316 20 10 CECDRO CC(C)N(C)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000311827499 627702924 /nfs/dbraw/zinc/70/29/24/627702924.db2.gz DPZPOGAMKUPJEE-ZDUSSCGKSA-N 1 0 262.397 2.440 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C(C)C ZINC000892966128 627905717 /nfs/dbraw/zinc/90/57/17/627905717.db2.gz QWDBLFWMIQYFSE-LBPRGKRZSA-N 1 0 283.368 2.170 20 10 CECDRO OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000311445017 628534826 /nfs/dbraw/zinc/53/48/26/628534826.db2.gz XFDNWUIMSMKMHJ-UKRRQHHQSA-N 1 0 261.365 2.262 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@@H]1CCCO1 ZINC000840941112 628776023 /nfs/dbraw/zinc/77/60/23/628776023.db2.gz SGSJJXWAQBBFKT-SJORKVTESA-N 1 0 292.423 2.345 20 10 CECDRO C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(N(C)C)cc1 ZINC000902464642 634682979 /nfs/dbraw/zinc/68/29/79/634682979.db2.gz BAZURWOLPHESJN-WXYCVUISSA-N 1 0 259.397 2.296 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c(O)c1OC ZINC000893899727 629033671 /nfs/dbraw/zinc/03/36/71/629033671.db2.gz HLSBURFUYXMIOX-FZMZJTMJSA-N 1 0 295.379 2.266 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCCO2)c1O ZINC000894204212 629206009 /nfs/dbraw/zinc/20/60/09/629206009.db2.gz JQMHTTCAUYWGRN-ZDUSSCGKSA-N 1 0 265.353 2.368 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(CC3CC3)C2)c1O ZINC000894250463 629257872 /nfs/dbraw/zinc/25/78/72/629257872.db2.gz JZILKRSCAAGVHO-HNNXBMFYSA-N 1 0 290.407 2.283 20 10 CECDRO CC[C@@H](O)CCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894288365 629308577 /nfs/dbraw/zinc/30/85/77/629308577.db2.gz STYNDANSSIPAPC-CYBMUJFWSA-N 1 0 267.369 2.350 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c1O ZINC000894344338 629373887 /nfs/dbraw/zinc/37/38/87/629373887.db2.gz QJDGXGFBYXPVBP-DOMZBBRYSA-N 1 0 290.407 2.282 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@]2(C)CCCO2)c1O ZINC000894347682 629378616 /nfs/dbraw/zinc/37/86/16/629378616.db2.gz QDHNBUGDHSPCST-HNNXBMFYSA-N 1 0 265.353 2.368 20 10 CECDRO COc1cccc(C[NH2+]Cc2ccnc(OC)c2F)c1O ZINC000894457898 629471723 /nfs/dbraw/zinc/47/17/23/629471723.db2.gz KTIRTIOSTYNIPS-UHFFFAOYSA-N 1 0 292.310 2.233 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)c1O ZINC000894487277 629488917 /nfs/dbraw/zinc/48/89/17/629488917.db2.gz HTUSTQLWBBVADF-OLZOCXBDSA-N 1 0 278.396 2.234 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)[C@H]1OC ZINC000894501828 629502418 /nfs/dbraw/zinc/50/24/18/629502418.db2.gz HWTZHRWBDJEIMG-SZYCXQDTSA-N 1 0 295.379 2.244 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)CN(C)C(C)C)c(O)c1OC ZINC000894534736 629518498 /nfs/dbraw/zinc/51/84/98/629518498.db2.gz TZGQHMYFXDDGLF-LBPRGKRZSA-N 1 0 296.411 2.228 20 10 CECDRO COc1ccc(C[NH2+][C@H](CO)C2CCCC2)c(O)c1OC ZINC000894556817 629525545 /nfs/dbraw/zinc/52/55/45/629525545.db2.gz LOCOERXSDSSKAQ-CYBMUJFWSA-N 1 0 295.379 2.050 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@H]2C2CC2)c(O)c1OC ZINC000894689038 629591557 /nfs/dbraw/zinc/59/15/57/629591557.db2.gz IXYRSHHVRIGOEJ-GFCCVEGCSA-N 1 0 263.337 2.394 20 10 CECDRO Cc1nnc([C@@H](C)[NH2+]Cc2cc(C)c(C)cc2O)[nH]1 ZINC000894772156 629627184 /nfs/dbraw/zinc/62/71/84/629627184.db2.gz GJMSVAQHCRELGO-SNVBAGLBSA-N 1 0 260.341 2.286 20 10 CECDRO COc1cc(C)cc(CN(C)CC[NH+]2CCCC2)c1O ZINC000894765398 629630940 /nfs/dbraw/zinc/63/09/40/629630940.db2.gz HMGJNGZWUSBEHQ-UHFFFAOYSA-N 1 0 278.396 2.237 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](O)CC2)c1O ZINC000894866286 629704546 /nfs/dbraw/zinc/70/45/46/629704546.db2.gz NCBRWTWGDMRSHC-CYBMUJFWSA-N 1 0 265.353 2.056 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CS[C@@H](C)C2)c(O)c1OC ZINC000894903147 629742811 /nfs/dbraw/zinc/74/28/11/629742811.db2.gz KGTIZNKTMYGYIF-ONGXEEELSA-N 1 0 283.393 2.393 20 10 CECDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(F)c1[O-] ZINC000894969981 629773250 /nfs/dbraw/zinc/77/32/50/629773250.db2.gz OQETZBVOJIECHU-PHIMTYICSA-N 1 0 267.275 2.366 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1O ZINC000895440509 630191292 /nfs/dbraw/zinc/19/12/92/630191292.db2.gz SEHIIHQZCIBNCJ-RAZMVVGNSA-N 1 0 289.375 2.222 20 10 CECDRO COc1ccc(C[NH2+][C@@H](CO)CCC(C)C)c(O)c1OC ZINC000895584805 630260163 /nfs/dbraw/zinc/26/01/63/630260163.db2.gz MQZBCPCUHDDTML-CYBMUJFWSA-N 1 0 297.395 2.296 20 10 CECDRO Oc1ccccc1CNCc1nc(C(F)F)no1 ZINC000895727144 630317894 /nfs/dbraw/zinc/31/78/94/630317894.db2.gz PGCUIZPAQKDZNQ-UHFFFAOYSA-N 1 0 255.224 2.003 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1 ZINC000895835820 630372004 /nfs/dbraw/zinc/37/20/04/630372004.db2.gz FOPCCWXDXLJBLE-CYBMUJFWSA-N 1 0 289.297 2.447 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2O)[C@H]1OC ZINC000895851973 630376429 /nfs/dbraw/zinc/37/64/29/630376429.db2.gz LXDPXNDOBLEKBS-DZGBDDFRSA-N 1 0 265.353 2.235 20 10 CECDRO COc1ccc(C[NH2+]CCc2ccns2)c(O)c1OC ZINC000895994468 630433078 /nfs/dbraw/zinc/43/30/78/630433078.db2.gz JEZPJOSTVFXDIM-UHFFFAOYSA-N 1 0 294.376 2.198 20 10 CECDRO COc1ccc(C[N@H+](C)CCCF)c(O)c1OC ZINC000896069856 630456947 /nfs/dbraw/zinc/45/69/47/630456947.db2.gz KIYRSXWBMYITCP-UHFFFAOYSA-N 1 0 257.305 2.201 20 10 CECDRO Cc1cccc(C[NH2+]Cc2cc(N(C)C)ccn2)c1O ZINC000896298001 630521316 /nfs/dbraw/zinc/52/13/16/630521316.db2.gz GQLXCIQBSZFPNB-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO COC(=O)C[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@H]1C ZINC000896468607 630569169 /nfs/dbraw/zinc/56/91/69/630569169.db2.gz QVMQZZCXWXIQKN-TZMCWYRMSA-N 1 0 277.364 2.332 20 10 CECDRO COc1ccc(C[N@@H+]2CCO[C@H](C)CC2)c(O)c1OC ZINC000896572105 630600962 /nfs/dbraw/zinc/60/09/62/630600962.db2.gz DBKKFWFODXVHRS-LLVKDONJSA-N 1 0 281.352 2.020 20 10 CECDRO CO[C@@]1(C[NH2+]Cc2c(C)cccc2O)CCSC1 ZINC000896573245 630601583 /nfs/dbraw/zinc/60/15/83/630601583.db2.gz LKRFHGSEVSXJLD-CQSZACIVSA-N 1 0 267.394 2.312 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](C)CC2)c1 ZINC000896583817 630603448 /nfs/dbraw/zinc/60/34/48/630603448.db2.gz HNIDDTAIWSOFLH-LBPRGKRZSA-N 1 0 265.353 2.402 20 10 CECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000896958671 630845245 /nfs/dbraw/zinc/84/52/45/630845245.db2.gz MEAAEKKJHFDMET-GFCCVEGCSA-N 1 0 263.337 2.086 20 10 CECDRO CC[C@H](C)N(CC(=O)OC)Cc1cc(F)ccc1O ZINC000798954967 630955835 /nfs/dbraw/zinc/95/58/35/630955835.db2.gz IKLVTYGILXQNSZ-JTQLQIEISA-N 1 0 269.316 2.305 20 10 CECDRO Cc1cccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1O ZINC000897260942 631025490 /nfs/dbraw/zinc/02/54/90/631025490.db2.gz TUFJVOYNJMNDAT-HNNXBMFYSA-N 1 0 291.391 2.207 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1 ZINC000897260629 631026575 /nfs/dbraw/zinc/02/65/75/631026575.db2.gz IVWPPGZTNMIOHT-HNNXBMFYSA-N 1 0 291.391 2.207 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)COC(C)C)c1 ZINC000800238248 631100799 /nfs/dbraw/zinc/10/07/99/631100799.db2.gz QTBWMGJQQNDZBX-LLVKDONJSA-N 1 0 253.342 2.304 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC000985839875 631187922 /nfs/dbraw/zinc/18/79/22/631187922.db2.gz UZRQXQKYSIEXPQ-ZFWWWQNUSA-N 1 0 290.407 2.493 20 10 CECDRO CSCC[C@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N(C)C ZINC000806661801 631762707 /nfs/dbraw/zinc/76/27/07/631762707.db2.gz FANUZANKVRTOGF-YPMHNXCESA-N 1 0 296.436 2.253 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@@](C)(O)C3)CC2)cc1 ZINC000841758190 631800317 /nfs/dbraw/zinc/80/03/17/631800317.db2.gz FNJXLHUFCSFDAH-KDYLLFBJSA-N 1 0 290.407 2.167 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841032259 631820420 /nfs/dbraw/zinc/82/04/20/631820420.db2.gz AYHVAITWERPCGN-JTQLQIEISA-N 1 0 254.761 2.135 20 10 CECDRO C[C@]1(F)CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840097553 631846807 /nfs/dbraw/zinc/84/68/07/631846807.db2.gz BVJSISQJQVXCLZ-HIFRSBDPSA-N 1 0 281.327 2.142 20 10 CECDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1=CC(=O)CS1 ZINC000807694566 631862368 /nfs/dbraw/zinc/86/23/68/631862368.db2.gz MUTWFBFRGYSXIJ-QWRGUYRKSA-N 1 0 280.393 2.153 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)[C@H](O)C2)cc1Cl ZINC000897680650 631865069 /nfs/dbraw/zinc/86/50/69/631865069.db2.gz UTVIYQJQEWXDMK-NOZJJQNGSA-N 1 0 255.745 2.167 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1O ZINC000897685591 631867021 /nfs/dbraw/zinc/86/70/21/631867021.db2.gz OPIFTRBYZGVTAF-WMLDXEAASA-N 1 0 274.408 2.490 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000840120083 631875846 /nfs/dbraw/zinc/87/58/46/631875846.db2.gz VIQOIVPLLRRNNW-CQSZACIVSA-N 1 0 271.307 2.211 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1 ZINC000897685759 631876357 /nfs/dbraw/zinc/87/63/57/631876357.db2.gz RRHCHOLFIWZQKA-XJKSGUPXSA-N 1 0 262.397 2.345 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](C3CC3)C1)[C@H](O)CO2 ZINC000808230835 631938534 /nfs/dbraw/zinc/93/85/34/631938534.db2.gz RBAQYQOZOGFQKZ-BLLLJJGKSA-N 1 0 289.375 2.440 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)c2cccnc2)cc1C ZINC000808429978 631962414 /nfs/dbraw/zinc/96/24/14/631962414.db2.gz AKFITDRNYHGFLQ-MRXNPFEDSA-N 1 0 286.375 2.270 20 10 CECDRO COC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808718547 632005211 /nfs/dbraw/zinc/00/52/11/632005211.db2.gz NRIMWCRNCKAJRQ-ONGXEEELSA-N 1 0 273.760 2.012 20 10 CECDRO COC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808718541 632006025 /nfs/dbraw/zinc/00/60/25/632006025.db2.gz NRIMWCRNCKAJRQ-GXSJLCMTSA-N 1 0 273.760 2.012 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@H]1CCOC13CCCC3)OCO2 ZINC000898112702 632055576 /nfs/dbraw/zinc/05/55/76/632055576.db2.gz PNBZKJLFFYGCOH-HNNXBMFYSA-N 1 0 291.347 2.312 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCOC13CCCC3)OCO2 ZINC000898112703 632055820 /nfs/dbraw/zinc/05/58/20/632055820.db2.gz PNBZKJLFFYGCOH-OAHLLOKOSA-N 1 0 291.347 2.312 20 10 CECDRO COc1cc(O)c(C[N@H+](C)[C@H](CO)CC(C)C)cc1OC ZINC000809766900 632143800 /nfs/dbraw/zinc/14/38/00/632143800.db2.gz BPABRHUNOXIGNA-ZDUSSCGKSA-N 1 0 297.395 2.248 20 10 CECDRO COc1cccc(C[NH2+]CCc2cccnc2C)c1O ZINC000898257199 632152076 /nfs/dbraw/zinc/15/20/76/632152076.db2.gz PPGHOPZDEFWJBJ-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c1O ZINC000898375757 632188775 /nfs/dbraw/zinc/18/87/75/632188775.db2.gz HFWOMAWOIORHMW-UONOGXRCSA-N 1 0 277.364 2.224 20 10 CECDRO CC[C@@](C)(C[NH2+]Cc1cc(OC)ccc1O)OC ZINC000322495066 632213746 /nfs/dbraw/zinc/21/37/46/632213746.db2.gz DRSLEJXUKZQBIG-AWEZNQCLSA-N 1 0 253.342 2.306 20 10 CECDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccccc1O ZINC000811980132 632472454 /nfs/dbraw/zinc/47/24/54/632472454.db2.gz XXAOARMUQVRWRC-ZDUSSCGKSA-N 1 0 293.411 2.312 20 10 CECDRO CC[N@H+](Cc1cc2c(cc1O)CCC2)[C@@H]1CCOC1 ZINC000812294812 632503086 /nfs/dbraw/zinc/50/30/86/632503086.db2.gz BYTPOTDMNPULNQ-OAHLLOKOSA-N 1 0 261.365 2.492 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CO1 ZINC000898447922 632503474 /nfs/dbraw/zinc/50/34/74/632503474.db2.gz NFCAIXKGMCTFRW-KMFMINBZSA-N 1 0 291.439 2.122 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1 ZINC000815102968 632959579 /nfs/dbraw/zinc/95/95/79/632959579.db2.gz NCAWHZJRHFCTIS-OAHLLOKOSA-N 1 0 262.397 2.345 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@@H]1C ZINC000815100766 632959826 /nfs/dbraw/zinc/95/98/26/632959826.db2.gz UPTBBQKQUNYUAN-UKRRQHHQSA-N 1 0 290.407 2.444 20 10 CECDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815102170 632960052 /nfs/dbraw/zinc/96/00/52/632960052.db2.gz MJSNFNOUTZPBOO-LSDHHAIUSA-N 1 0 289.423 2.065 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)cc1 ZINC000815106422 632960388 /nfs/dbraw/zinc/96/03/88/632960388.db2.gz ULNGXPYDTAFYEG-WMLDXEAASA-N 1 0 292.423 2.114 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000815160154 632974912 /nfs/dbraw/zinc/97/49/12/632974912.db2.gz REFUBIURYZWWTE-XHDPSFHLSA-N 1 0 265.353 2.042 20 10 CECDRO Cn1c(=O)oc2cc(C[N@H+](C)Cc3ccccc3O)ccc21 ZINC000816493156 633399726 /nfs/dbraw/zinc/39/97/26/633399726.db2.gz RGOUGFWJGIOEIP-UHFFFAOYSA-N 1 0 298.342 2.469 20 10 CECDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816520460 633406791 /nfs/dbraw/zinc/40/67/91/633406791.db2.gz PYMGELPYOUMPCH-LBPRGKRZSA-N 1 0 286.375 2.359 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1C ZINC000817412555 633650781 /nfs/dbraw/zinc/65/07/81/633650781.db2.gz MMSPZMYXYYRQEH-HDJSIYSDSA-N 1 0 290.407 2.390 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](NC(C)=O)C2)cc1 ZINC000817412806 633652090 /nfs/dbraw/zinc/65/20/90/633652090.db2.gz PNSHGFLJEANYGH-MRXNPFEDSA-N 1 0 289.423 2.243 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1O ZINC000817413146 633652588 /nfs/dbraw/zinc/65/25/88/633652588.db2.gz USJZTTXQUZTGMT-STQMWFEESA-N 1 0 279.380 2.241 20 10 CECDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2O)CCO1 ZINC000817415714 633654369 /nfs/dbraw/zinc/65/43/69/633654369.db2.gz XHUPDQJDRZEMRA-OLZOCXBDSA-N 1 0 295.379 2.457 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC3(CC[NH2+]3)CC2)c1O ZINC000817879623 633750995 /nfs/dbraw/zinc/75/09/95/633750995.db2.gz DGISUMRDEGLXFH-UHFFFAOYSA-N 1 0 292.354 2.062 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000817895039 633756937 /nfs/dbraw/zinc/75/69/37/633756937.db2.gz SZDASKODWMCHAM-XJKSGUPXSA-N 1 0 261.413 2.291 20 10 CECDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817942694 633791129 /nfs/dbraw/zinc/79/11/29/633791129.db2.gz QEOAHJROVKVJBC-XJKSGUPXSA-N 1 0 284.407 2.498 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817945956 633792571 /nfs/dbraw/zinc/79/25/71/633792571.db2.gz OHYFCOLFXNSAQK-QWRGUYRKSA-N 1 0 252.333 2.182 20 10 CECDRO C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817948287 633793665 /nfs/dbraw/zinc/79/36/65/633793665.db2.gz WQBFLJOUPCPXPJ-WHXUTIOJSA-N 1 0 279.340 2.221 20 10 CECDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1ccn(C)n1 ZINC000817956816 633799647 /nfs/dbraw/zinc/79/96/47/633799647.db2.gz DKIFLTVBNSENBQ-AWEZNQCLSA-N 1 0 258.369 2.286 20 10 CECDRO Nc1ccc(CC[NH2+][C@@H]2CCCc3n[nH]cc32)cc1 ZINC000817957994 633801334 /nfs/dbraw/zinc/80/13/34/633801334.db2.gz RWPIXDLAFRAMJO-CQSZACIVSA-N 1 0 256.353 2.202 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1[O-] ZINC000817971900 633815437 /nfs/dbraw/zinc/81/54/37/633815437.db2.gz QZHGFDAELJUULV-FOGDFJRCSA-N 1 0 252.333 2.322 20 10 CECDRO COC[C@@]1(CN[C@@H](C)c2ccc(C)c(C)c2O)CCC[NH2+]1 ZINC000817974472 633818736 /nfs/dbraw/zinc/81/87/36/633818736.db2.gz MMWJLMHATRSFCC-YOEHRIQHSA-N 1 0 292.423 2.428 20 10 CECDRO C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817977252 633820551 /nfs/dbraw/zinc/82/05/51/633820551.db2.gz FQCVEMUFUAJRFJ-BDAKNGLRSA-N 1 0 258.312 2.448 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981677 633824458 /nfs/dbraw/zinc/82/44/58/633824458.db2.gz MIJGVPSZPHRYOB-GARJFASQSA-N 1 0 279.340 2.078 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1[O-] ZINC000817981273 633825063 /nfs/dbraw/zinc/82/50/63/633825063.db2.gz IIAJVUFNKRPNBL-JBLDHEPKSA-N 1 0 252.333 2.309 20 10 CECDRO O=C(NCc1ccccc1O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901125511 633955262 /nfs/dbraw/zinc/95/52/62/633955262.db2.gz YESIKYUBAGGYHU-ZIAGYGMSSA-N 1 0 274.364 2.025 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@H](O)C1CC1 ZINC000819376884 634161307 /nfs/dbraw/zinc/16/13/07/634161307.db2.gz JHRVMLUQXXTLON-GUYCJALGSA-N 1 0 276.424 2.353 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@@H](O)C1CC1 ZINC000819376882 634161722 /nfs/dbraw/zinc/16/17/22/634161722.db2.gz JHRVMLUQXXTLON-CXAGYDPISA-N 1 0 276.424 2.353 20 10 CECDRO CSC[C@H](O)C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000819377351 634162632 /nfs/dbraw/zinc/16/26/32/634162632.db2.gz QGDDXEGVPDADNW-XJKSGUPXSA-N 1 0 296.480 2.306 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C2CC(CC(N)=O)C2)c(O)c1 ZINC000903261334 635034397 /nfs/dbraw/zinc/03/43/97/635034397.db2.gz WVQJHAAWHNZSNC-HIFPTAJRSA-N 1 0 276.380 2.314 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CCN1C)c1cc(Cl)ccc1O ZINC000903316302 635063484 /nfs/dbraw/zinc/06/34/84/635063484.db2.gz DFDNFRMPFRKSLY-ONGXEEELSA-N 1 0 254.761 2.400 20 10 CECDRO CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccccc1O ZINC000903343201 635071015 /nfs/dbraw/zinc/07/10/15/635071015.db2.gz NMUCIGPNYHIDTD-KBPBESRZSA-N 1 0 278.396 2.154 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc3n2CCOC3)c1 ZINC000903419838 635120865 /nfs/dbraw/zinc/12/08/65/635120865.db2.gz HVKINHMDENTFAC-GFCCVEGCSA-N 1 0 287.363 2.278 20 10 CECDRO CCn1nnc(C)c1C[NH2+]CCCSc1nccs1 ZINC000823937653 635309642 /nfs/dbraw/zinc/30/96/42/635309642.db2.gz FNANONPSHUZMNF-UHFFFAOYSA-N 1 0 297.453 2.335 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000824701806 635481236 /nfs/dbraw/zinc/48/12/36/635481236.db2.gz CDUQXYYDMBPTKD-KGLIPLIRSA-N 1 0 277.364 2.435 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)c1 ZINC000824914670 635524167 /nfs/dbraw/zinc/52/41/67/635524167.db2.gz XASJBHLURRDEQB-AWEZNQCLSA-N 1 0 297.420 2.100 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)Cc2cnn(C)c2)c1 ZINC000825046497 635548047 /nfs/dbraw/zinc/54/80/47/635548047.db2.gz UWNSJOINJXMMIT-GFCCVEGCSA-N 1 0 289.379 2.245 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2cnn(C)c2)cc1Cl ZINC000825131311 635575724 /nfs/dbraw/zinc/57/57/24/635575724.db2.gz LSRDKHUNOPBCMM-UHFFFAOYSA-N 1 0 279.771 2.420 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CO)c(O)c1 ZINC000825183407 635587707 /nfs/dbraw/zinc/58/77/07/635587707.db2.gz MTOJXZPVGCJCNM-TZMCWYRMSA-N 1 0 265.353 2.042 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccccc1O ZINC000825284627 635606974 /nfs/dbraw/zinc/60/69/74/635606974.db2.gz TWCRNMDJPDCGRK-DMDPSCGWSA-N 1 0 262.353 2.087 20 10 CECDRO Oc1ccc(F)cc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904431526 635626917 /nfs/dbraw/zinc/62/69/17/635626917.db2.gz VTTODHONYVXIFR-OAHLLOKOSA-N 1 0 264.344 2.249 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1Cl ZINC000825556657 635663663 /nfs/dbraw/zinc/66/36/63/635663663.db2.gz UDHZZZJGAQPDCR-LBPRGKRZSA-N 1 0 292.770 2.393 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)CC(F)F)cc1Cl ZINC000825697840 635697101 /nfs/dbraw/zinc/69/71/01/635697101.db2.gz KNEXOCVUPPRURM-SECBINFHSA-N 1 0 279.714 2.460 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)C[NH3+])cc1 ZINC000826020104 635747342 /nfs/dbraw/zinc/74/73/42/635747342.db2.gz QEQGABSSQISKTC-ZDUSSCGKSA-N 1 0 277.412 2.086 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000826902997 635876550 /nfs/dbraw/zinc/87/65/50/635876550.db2.gz NOMYQJOJGPWLJL-HNNXBMFYSA-N 1 0 296.370 2.378 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c1O ZINC000826911109 635879645 /nfs/dbraw/zinc/87/96/45/635879645.db2.gz RZYHCWRDEMVMMP-BIENJYKASA-N 1 0 281.421 2.480 20 10 CECDRO CCc1cccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1O ZINC000827147212 636236943 /nfs/dbraw/zinc/23/69/43/636236943.db2.gz NXOGNNZGBBOLSF-RYUDHWBXSA-N 1 0 263.381 2.403 20 10 CECDRO C[C@@H]1C[NH+](Cc2cc(Cl)ccc2O)C[C@@H](C)C1O ZINC000827151450 636237278 /nfs/dbraw/zinc/23/72/78/636237278.db2.gz BIHPKJJCPPCDJN-NXEZZACHSA-N 1 0 269.772 2.494 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1 ZINC000827151665 636237592 /nfs/dbraw/zinc/23/75/92/636237592.db2.gz HUSJYCOREJCJPM-MRXNPFEDSA-N 1 0 261.365 2.438 20 10 CECDRO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H](C)[C@H]1O ZINC000827151726 636238293 /nfs/dbraw/zinc/23/82/93/636238293.db2.gz IPKNKHKWGQAMSS-MSRIBSCDSA-N 1 0 269.772 2.494 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1OC ZINC000827488442 636333695 /nfs/dbraw/zinc/33/36/95/636333695.db2.gz HFRNPDVCPROBIK-HBYGRHMLSA-N 1 0 263.337 2.298 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CCC3(COC3)C2)c1O ZINC000827642663 636373390 /nfs/dbraw/zinc/37/33/90/636373390.db2.gz AWAUBGNHFXRUPW-UHFFFAOYSA-N 1 0 283.755 2.277 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC3(COC3)C2)cc1 ZINC000827643324 636373526 /nfs/dbraw/zinc/37/35/26/636373526.db2.gz IHYBSDKENOVPCW-ONEGZZNKSA-N 1 0 272.392 2.488 20 10 CECDRO C[C@@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1O ZINC000827936716 636463585 /nfs/dbraw/zinc/46/35/85/636463585.db2.gz AYZPMLQHZYLOLQ-JHJVBQTASA-N 1 0 276.380 2.442 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000828147853 636523173 /nfs/dbraw/zinc/52/31/73/636523173.db2.gz MBTZNFUWTFIUAE-CQSZACIVSA-N 1 0 276.380 2.258 20 10 CECDRO CCC[C@@](C)([NH3+])C(=O)NCCCSc1nccs1 ZINC000829527675 636875469 /nfs/dbraw/zinc/87/54/69/636875469.db2.gz CAKPNCGPIZUEQP-GFCCVEGCSA-N 1 0 287.454 2.259 20 10 CECDRO COc1ccc2c(c1)CCN2CC(C)(C)[NH+]1CCOCC1 ZINC000876513856 650297748 /nfs/dbraw/zinc/29/77/48/650297748.db2.gz JPWUNOWBHPMRJJ-UHFFFAOYSA-N 1 0 290.407 2.169 20 10 CECDRO CC(C)(C(=O)NCc1ccccc1O)[NH+]1CCCCC1 ZINC000907055711 636929218 /nfs/dbraw/zinc/92/92/18/636929218.db2.gz HMTJKCIMCWIMPL-UHFFFAOYSA-N 1 0 276.380 2.273 20 10 CECDRO CC(C)[NH+](CCCNC(=O)Cc1ccc(N)cc1)C(C)C ZINC000830943963 637202486 /nfs/dbraw/zinc/20/24/86/637202486.db2.gz RLTPAEOYQWNMEA-UHFFFAOYSA-N 1 0 291.439 2.436 20 10 CECDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000831202541 637253575 /nfs/dbraw/zinc/25/35/75/637253575.db2.gz IINUZQORUVJPHZ-QWHCGFSZSA-N 1 0 292.427 2.020 20 10 CECDRO Cc1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832292410 637535801 /nfs/dbraw/zinc/53/58/01/637535801.db2.gz GPIGXMUJLPOARW-QGZVFWFLSA-N 1 0 297.402 2.491 20 10 CECDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCc2ccc(F)cc21 ZINC000876630794 650367681 /nfs/dbraw/zinc/36/76/81/650367681.db2.gz KVKMCRITAUCKAR-MJRJWQSSSA-N 1 0 274.339 2.271 20 10 CECDRO O=C(CC[NH2+][C@H]1CCc2cccc(O)c21)Nc1ccccn1 ZINC000834541262 637859252 /nfs/dbraw/zinc/85/92/52/637859252.db2.gz SKZKOLNPMVMLJR-ZDUSSCGKSA-N 1 0 297.358 2.393 20 10 CECDRO CC(=O)N1CCC(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834570405 637872510 /nfs/dbraw/zinc/87/25/10/637872510.db2.gz GRISXXIFLJNKOF-HNNXBMFYSA-N 1 0 288.391 2.228 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCN(CC3CC3)C1)CC2 ZINC000834575887 637876350 /nfs/dbraw/zinc/87/63/50/637876350.db2.gz PHUNMUDISQIDFU-HUUCEWRRSA-N 1 0 272.392 2.453 20 10 CECDRO C[C@H]1CCCN1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834607288 637888947 /nfs/dbraw/zinc/88/89/47/637888947.db2.gz SOAICJUTTUJCBC-GXTWGEPZSA-N 1 0 260.381 2.453 20 10 CECDRO C[C@H]1CCCN1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834607290 637889242 /nfs/dbraw/zinc/88/92/42/637889242.db2.gz SOAICJUTTUJCBC-JSGCOSHPSA-N 1 0 260.381 2.453 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(O)c1 ZINC000876649795 650375939 /nfs/dbraw/zinc/37/59/39/650375939.db2.gz FWVIIGBTEFODEL-CYBMUJFWSA-N 1 0 276.380 2.178 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834765513 637943948 /nfs/dbraw/zinc/94/39/48/637943948.db2.gz NBSPOJUAWHELPH-VNHYZAJKSA-N 1 0 277.364 2.163 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000834842970 637967246 /nfs/dbraw/zinc/96/72/46/637967246.db2.gz DVLSWJOGYAVBPJ-XJKSGUPXSA-N 1 0 280.412 2.191 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000834880467 637976632 /nfs/dbraw/zinc/97/66/32/637976632.db2.gz DGOAWIJTCQFXQU-DVOMOZLQSA-N 1 0 279.380 2.403 20 10 CECDRO CC[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccccc1O ZINC000834908861 637985101 /nfs/dbraw/zinc/98/51/01/637985101.db2.gz MJHMPXJNDGTMFB-IUODEOHRSA-N 1 0 262.353 2.102 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@H]2CCOC2)cc1 ZINC000835029597 638030553 /nfs/dbraw/zinc/03/05/53/638030553.db2.gz XYSWOILLOKSPQD-AWFCHZOYSA-N 1 0 260.381 2.487 20 10 CECDRO CNC(=O)[C@H](C)C[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835027943 638030846 /nfs/dbraw/zinc/03/08/46/638030846.db2.gz FJVGKZOXCUJNRZ-LMVHVUTASA-N 1 0 289.423 2.080 20 10 CECDRO CC(C)C(=O)NCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034283 638032904 /nfs/dbraw/zinc/03/29/04/638032904.db2.gz SGTATLHGJJGURM-AATRIKPKSA-N 1 0 289.423 2.128 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041022 638035377 /nfs/dbraw/zinc/03/53/77/638035377.db2.gz IJPINORENFXFPJ-SREVYHEPSA-N 1 0 289.423 2.128 20 10 CECDRO CSC[C@](C)(O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835040598 638035477 /nfs/dbraw/zinc/03/54/77/638035477.db2.gz QJJBGIGYEFAXSW-OGZRUICASA-N 1 0 294.464 2.469 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2ccnn2C)cc1 ZINC000835047396 638037594 /nfs/dbraw/zinc/03/75/94/638037594.db2.gz SDDQJEIEXVYBPP-PLNGDYQASA-N 1 0 284.407 2.332 20 10 CECDRO CO[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@@H]1OC ZINC000835048034 638038475 /nfs/dbraw/zinc/03/84/75/638038475.db2.gz DROQCRACGFNEHX-WZDWLKHJSA-N 1 0 290.407 2.111 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCc2cnc(C)cn2)c1 ZINC000835062360 638044933 /nfs/dbraw/zinc/04/49/33/638044933.db2.gz SWOSYGIQVLMLFF-UHFFFAOYSA-N 1 0 287.363 2.222 20 10 CECDRO CC[NH2+][C@H](C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000876713245 650408681 /nfs/dbraw/zinc/40/86/81/650408681.db2.gz HRCPOTTWEXJGMH-CQSZACIVSA-N 1 0 291.439 2.489 20 10 CECDRO CC(C)CC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000876739058 650414543 /nfs/dbraw/zinc/41/45/43/650414543.db2.gz BWHHLHONAYGLCM-AWEZNQCLSA-N 1 0 295.402 2.271 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)c(O)c1 ZINC000876764497 650424523 /nfs/dbraw/zinc/42/45/23/650424523.db2.gz PUZWUEJGPJUELB-CABCVRRESA-N 1 0 260.381 2.369 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCSC[C@H]1CCO ZINC000876806999 650440373 /nfs/dbraw/zinc/44/03/73/650440373.db2.gz XBLNUNLFLDKGLO-GFCCVEGCSA-N 1 0 267.394 2.000 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000876880806 650470356 /nfs/dbraw/zinc/47/03/56/650470356.db2.gz NDFLYANFRMITFQ-OAHLLOKOSA-N 1 0 292.423 2.147 20 10 CECDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCc2c1cccc2F ZINC000876881578 650471492 /nfs/dbraw/zinc/47/14/92/650471492.db2.gz KGODNTUITAXIEU-DGMVEKRQSA-N 1 0 274.339 2.271 20 10 CECDRO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000045072722 639386590 /nfs/dbraw/zinc/38/65/90/639386590.db2.gz ULPIFFYKYSIRMG-CYBMUJFWSA-N 1 0 277.412 2.320 20 10 CECDRO CC[C@@H](C(=O)N(C)c1ccc(N)cc1)[NH+](CC)CC ZINC000877077957 639519112 /nfs/dbraw/zinc/51/91/12/639519112.db2.gz XATLKIAJDNTFNG-AWEZNQCLSA-N 1 0 263.385 2.352 20 10 CECDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000840826558 639553486 /nfs/dbraw/zinc/55/34/86/639553486.db2.gz OCJPZGZVZCVYSX-JIMOISOXSA-N 1 0 285.771 2.418 20 10 CECDRO OCc1cccc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000226606614 639554978 /nfs/dbraw/zinc/55/49/78/639554978.db2.gz UMKSDOOUVRXNJU-UHFFFAOYSA-N 1 0 261.296 2.313 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2(C(N)=O)CCCC2)c(Cl)c1 ZINC000840898700 639576514 /nfs/dbraw/zinc/57/65/14/639576514.db2.gz QWSOIUPWEXVQAB-UHFFFAOYSA-N 1 0 296.798 2.489 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H](C)CO)c(Cl)c1 ZINC000840898910 639576893 /nfs/dbraw/zinc/57/68/93/639576893.db2.gz HLAYALUWAKGMEO-ZJUUUORDSA-N 1 0 257.761 2.461 20 10 CECDRO CCC[N@H+](CCO)Cc1ccc(N(C)C)cc1C ZINC000840910960 639577703 /nfs/dbraw/zinc/57/77/03/639577703.db2.gz YNMBNAPOMPAUOK-UHFFFAOYSA-N 1 0 250.386 2.265 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](O)C2)c(Cl)c1 ZINC000840908957 639580994 /nfs/dbraw/zinc/58/09/94/639580994.db2.gz ZJLAZSKJYTUOJC-SNVBAGLBSA-N 1 0 255.745 2.311 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCC(C(N)=O)CC2)c(Cl)c1 ZINC000840908017 639581481 /nfs/dbraw/zinc/58/14/81/639581481.db2.gz MPTKEGJJJHQNHP-UHFFFAOYSA-N 1 0 282.771 2.051 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000840910768 639583176 /nfs/dbraw/zinc/58/31/76/639583176.db2.gz RTBQWEPRCCADRP-DZGCQCFKSA-N 1 0 289.423 2.147 20 10 CECDRO CN1CCC[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000227440376 639590405 /nfs/dbraw/zinc/59/04/05/639590405.db2.gz IZJBHNMCOACHHM-LBPRGKRZSA-N 1 0 299.212 2.339 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936560 639591102 /nfs/dbraw/zinc/59/11/02/639591102.db2.gz LGKIURFSIRLYQI-CVEARBPZSA-N 1 0 289.423 2.065 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCCN1C ZINC000840934319 639591315 /nfs/dbraw/zinc/59/13/15/639591315.db2.gz ZZNRJGJKEARNTI-INIZCTEOSA-N 1 0 261.413 2.245 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)C2CC(O)C2)c(Cl)c1 ZINC000840939387 639593823 /nfs/dbraw/zinc/59/38/23/639593823.db2.gz MFCGNFOJBGPGMV-UHFFFAOYSA-N 1 0 255.745 2.309 20 10 CECDRO COC1(CO)CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840940629 639594231 /nfs/dbraw/zinc/59/42/31/639594231.db2.gz INBOPTYRUGZOGX-UHFFFAOYSA-N 1 0 299.798 2.327 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC[C@@H](C)O ZINC000840940606 639594493 /nfs/dbraw/zinc/59/44/93/639594493.db2.gz HUONDMQGFVZJPV-CYBMUJFWSA-N 1 0 250.386 2.312 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C2(C(=O)N(C)C)CC2)cc1 ZINC000840957047 639601176 /nfs/dbraw/zinc/60/11/76/639601176.db2.gz HUXPLGYZRLQALC-UHFFFAOYSA-N 1 0 289.423 2.243 20 10 CECDRO CC[C@H]([NH2+]Cc1c(O)cccc1OC)[C@@H](O)C(C)C ZINC000840966478 639604007 /nfs/dbraw/zinc/60/40/07/639604007.db2.gz GBWDDXLGQGAIQW-WFASDCNBSA-N 1 0 267.369 2.286 20 10 CECDRO COC(=O)COc1ccc(N(C)C[C@H]([NH3+])CC(C)C)cc1 ZINC000841019855 639618283 /nfs/dbraw/zinc/61/82/83/639618283.db2.gz GAXYPSIMUBBMPM-CYBMUJFWSA-N 1 0 294.395 2.048 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1F ZINC000841026600 639620066 /nfs/dbraw/zinc/62/00/66/639620066.db2.gz KTEYVUXFFMUIGY-PBHICJAKSA-N 1 0 291.414 2.466 20 10 CECDRO Cc1cc(Br)cc(CNC[C@@H]2CCC[NH2+]2)c1O ZINC000841034454 639626329 /nfs/dbraw/zinc/62/63/29/639626329.db2.gz CMRLFKYJOYGUBD-LBPRGKRZSA-N 1 0 299.212 2.305 20 10 CECDRO CN(C)Cc1cnc(C[NH2+]CCc2ccc(N)cc2)s1 ZINC000841038973 639628915 /nfs/dbraw/zinc/62/89/15/639628915.db2.gz WABZMRZDIVHIBH-UHFFFAOYSA-N 1 0 290.436 2.119 20 10 CECDRO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccccc2O)cc1 ZINC000841044851 639631013 /nfs/dbraw/zinc/63/10/13/639631013.db2.gz ZEDVMYBIUXFPQZ-MRXNPFEDSA-N 1 0 285.391 2.248 20 10 CECDRO CCN(CC)c1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000841043658 639631028 /nfs/dbraw/zinc/63/10/28/639631028.db2.gz UUKMHSCAZSIUPE-HNNXBMFYSA-N 1 0 261.413 2.374 20 10 CECDRO c1cc(N2CCCCC2)ccc1CN[C@H]1CC[NH2+]C1 ZINC000841044378 639631176 /nfs/dbraw/zinc/63/11/76/639631176.db2.gz DOMGWXCOIGNUQW-HNNXBMFYSA-N 1 0 259.397 2.128 20 10 CECDRO [NH3+]C1(C[NH2+]Cc2cccc(Br)c2[O-])CCC1 ZINC000841052051 639633165 /nfs/dbraw/zinc/63/31/65/639633165.db2.gz UOEIVHSGLDLMPZ-UHFFFAOYSA-N 1 0 285.185 2.126 20 10 CECDRO C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000841064419 639639620 /nfs/dbraw/zinc/63/96/20/639639620.db2.gz QGXHUGDSUQVUQS-JOYOIKCWSA-N 1 0 299.212 2.242 20 10 CECDRO CCOc1cccc(CN[C@@H]2CCC[NH2+][C@@H]2C)c1O ZINC000841064745 639639946 /nfs/dbraw/zinc/63/99/46/639639946.db2.gz INTPZVITDXENPK-DGCLKSJQSA-N 1 0 264.369 2.021 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCSC2)c(O)c1 ZINC000228554906 639642774 /nfs/dbraw/zinc/64/27/74/639642774.db2.gz TWYQFEFNLJKUHL-JTQLQIEISA-N 1 0 253.367 2.244 20 10 CECDRO CCOc1ccc(CN[C@@H]2CC[NH2+]C2(C)C)c(O)c1 ZINC000841085462 639650416 /nfs/dbraw/zinc/65/04/16/639650416.db2.gz DDWIQEDWDPRAFO-CQSZACIVSA-N 1 0 264.369 2.021 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C2CCOCC2)c1O ZINC000228671548 639651725 /nfs/dbraw/zinc/65/17/25/639651725.db2.gz CHUYGEUPMZZRNX-UHFFFAOYSA-N 1 0 271.744 2.323 20 10 CECDRO CCOc1ccc(O)c(CN2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000841105264 639672562 /nfs/dbraw/zinc/67/25/62/639672562.db2.gz DQNAGNDIQXPILD-INIZCTEOSA-N 1 0 276.380 2.119 20 10 CECDRO C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229103406 639676569 /nfs/dbraw/zinc/67/65/69/639676569.db2.gz MOVCQBHVPPTCPR-JTQLQIEISA-N 1 0 284.787 2.096 20 10 CECDRO COc1cc(Cl)cc(CN2CCC[C@H](C[NH3+])C2)c1O ZINC000229102573 639676649 /nfs/dbraw/zinc/67/66/49/639676649.db2.gz WJPHNEJAADUVHS-SNVBAGLBSA-N 1 0 284.787 2.225 20 10 CECDRO CO[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CCOCC1 ZINC000876995298 650523935 /nfs/dbraw/zinc/52/39/35/650523935.db2.gz DJKAMKRBMOUNOR-KRWDZBQOSA-N 1 0 291.391 2.153 20 10 CECDRO COC(=O)c1cc(C[NH2+]Cc2ccccc2O)[nH]c1C ZINC000876995267 650524192 /nfs/dbraw/zinc/52/41/92/650524192.db2.gz CZBSARSDDVVRBK-UHFFFAOYSA-N 1 0 274.320 2.105 20 10 CECDRO O[C@H]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000230666707 639776714 /nfs/dbraw/zinc/77/67/14/639776714.db2.gz AEVQLIIHGPPYIQ-DOMZBBRYSA-N 1 0 261.365 2.262 20 10 CECDRO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841746598 639857262 /nfs/dbraw/zinc/85/72/62/639857262.db2.gz IZLMYZCWCKKWIB-ZJUUUORDSA-N 1 0 280.759 2.376 20 10 CECDRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(Cl)cc1O ZINC000841752067 639858545 /nfs/dbraw/zinc/85/85/45/639858545.db2.gz FOYSZFOEELTGMT-YGRLFVJLSA-N 1 0 299.798 2.484 20 10 CECDRO FC(F)CN1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000841894649 639901388 /nfs/dbraw/zinc/90/13/88/639901388.db2.gz SJWGVRQDRKPBFH-ZDUSSCGKSA-N 1 0 282.334 2.051 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c1O ZINC000842474803 640074059 /nfs/dbraw/zinc/07/40/59/640074059.db2.gz XELFTLBFINUNGR-ZJUUUORDSA-N 1 0 296.798 2.430 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000877053714 650550968 /nfs/dbraw/zinc/55/09/68/650550968.db2.gz XGOZUBWJJMDYSF-LBPRGKRZSA-N 1 0 257.337 2.071 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCCOC1CCOCC1 ZINC000877054388 650551008 /nfs/dbraw/zinc/55/10/08/650551008.db2.gz HOYWZKACJARVBW-UHFFFAOYSA-N 1 0 279.380 2.376 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](OC(C)C)C2)cc1OC ZINC000842609518 640117130 /nfs/dbraw/zinc/11/71/30/640117130.db2.gz DQXRIMRMSLPVPE-CYBMUJFWSA-N 1 0 295.379 2.409 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1 ZINC000842761717 640173375 /nfs/dbraw/zinc/17/33/75/640173375.db2.gz UPNBQELNZUNPQQ-KRWDZBQOSA-N 1 0 292.423 2.020 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CO[C@@H](C)C2)c1 ZINC000842775284 640177673 /nfs/dbraw/zinc/17/76/73/640177673.db2.gz LYAJEGROQJHUSB-CMPLNLGQSA-N 1 0 251.326 2.058 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CCC[NH2+]CC2)cc1 ZINC000843044483 640249721 /nfs/dbraw/zinc/24/97/21/640249721.db2.gz DGIYZJMHBYGQAU-HYXAFXHYSA-N 1 0 259.397 2.061 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843046344 640251437 /nfs/dbraw/zinc/25/14/37/640251437.db2.gz XCUASCRFQZALRG-DOMZBBRYSA-N 1 0 278.371 2.495 20 10 CECDRO Cc1cc(Cl)cc(CN2CC[NH2+]C[C@H]2C)c1O ZINC000843047814 640252301 /nfs/dbraw/zinc/25/23/01/640252301.db2.gz WXIOBOMRGHAZJT-SNVBAGLBSA-N 1 0 254.761 2.148 20 10 CECDRO C[C@@H](C[NH3+])N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000843051471 640254973 /nfs/dbraw/zinc/25/49/73/640254973.db2.gz JBGAYRSSMIOGGC-AWEZNQCLSA-N 1 0 261.413 2.456 20 10 CECDRO CCCN(Cc1ccc(OCC)cc1O)[C@@H]1CC[NH2+]C1 ZINC000843052590 640256733 /nfs/dbraw/zinc/25/67/33/640256733.db2.gz OCTCLIFPLYTZDE-CQSZACIVSA-N 1 0 278.396 2.365 20 10 CECDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(F)c1[O-] ZINC000843053528 640256742 /nfs/dbraw/zinc/25/67/42/640256742.db2.gz AQMVSLPNWDJIOT-YHWZYXNKSA-N 1 0 264.344 2.376 20 10 CECDRO CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cccc(F)c1[O-] ZINC000843056452 640258488 /nfs/dbraw/zinc/25/84/88/640258488.db2.gz KKLIBZJTQUHSKD-ZDUSSCGKSA-N 1 0 254.349 2.337 20 10 CECDRO C[NH2+]CCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000843057120 640260132 /nfs/dbraw/zinc/26/01/32/640260132.db2.gz BXUJAEFOXCPHNK-UHFFFAOYSA-N 1 0 261.413 2.328 20 10 CECDRO C[NH2+]CCN(C)Cc1cc(C)cc(Br)c1O ZINC000843057344 640260438 /nfs/dbraw/zinc/26/04/38/640260438.db2.gz IFYJVEMYDYZAOT-UHFFFAOYSA-N 1 0 287.201 2.114 20 10 CECDRO C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000843058521 640260843 /nfs/dbraw/zinc/26/08/43/640260843.db2.gz VBMSODVKMFUOCS-UWVGGRQHSA-N 1 0 254.761 2.215 20 10 CECDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc(OCC)ccc1O ZINC000843058657 640261950 /nfs/dbraw/zinc/26/19/50/640261950.db2.gz ZOSYJVMRTSRCBG-CQSZACIVSA-N 1 0 278.396 2.365 20 10 CECDRO COc1ccc(N(C)C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000843064765 640265624 /nfs/dbraw/zinc/26/56/24/640265624.db2.gz BUNQYFSWVFAXFK-OAHLLOKOSA-N 1 0 264.369 2.140 20 10 CECDRO Cc1cc(O)c(CN(C)C2CC([NH3+])C2)c(Cl)c1 ZINC000843124590 640291173 /nfs/dbraw/zinc/29/11/73/640291173.db2.gz CVFCAEHKCBBKEQ-UHFFFAOYSA-N 1 0 254.761 2.276 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCCCC[NH3+])c1 ZINC000843343358 640396463 /nfs/dbraw/zinc/39/64/63/640396463.db2.gz ZRUSKTCOEFZNSU-LBPRGKRZSA-N 1 0 294.395 2.349 20 10 CECDRO Cc1noc([C@H](C)N2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843349535 640398522 /nfs/dbraw/zinc/39/85/22/640398522.db2.gz CKGZOFNMWKOEKM-JTQLQIEISA-N 1 0 272.352 2.351 20 10 CECDRO CCN(CC)C(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349899 640399700 /nfs/dbraw/zinc/39/97/00/640399700.db2.gz LWIJTDIDZJXKQN-ZDUSSCGKSA-N 1 0 289.423 2.155 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843364444 640405544 /nfs/dbraw/zinc/40/55/44/640405544.db2.gz IGBOMRCSZSTVJL-ONGXEEELSA-N 1 0 296.798 2.417 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000877132958 650588143 /nfs/dbraw/zinc/58/81/43/650588143.db2.gz SBUOCHRJQMMWKE-CJNGLKHVSA-N 1 0 277.364 2.128 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCOC2)cc1 ZINC000844399894 640708698 /nfs/dbraw/zinc/70/86/98/640708698.db2.gz RSUDAJMUNSWVJW-AWEZNQCLSA-N 1 0 278.396 2.100 20 10 CECDRO CC[C@](C)(O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402930 640709023 /nfs/dbraw/zinc/70/90/23/640709023.db2.gz XDWOJNRSJXYAMT-INIZCTEOSA-N 1 0 280.412 2.224 20 10 CECDRO CCC[C@H](O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402801 640709462 /nfs/dbraw/zinc/70/94/62/640709462.db2.gz WJIDERCEIRGJBC-HNNXBMFYSA-N 1 0 280.412 2.224 20 10 CECDRO CCn1cncc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000845971879 641142093 /nfs/dbraw/zinc/14/20/93/641142093.db2.gz NMGHCGNNCJDKOS-NSHDSACASA-N 1 0 275.352 2.468 20 10 CECDRO COc1cccc(O)c1CNCCC[N@H+](C)CC(C)C ZINC000845995735 641147353 /nfs/dbraw/zinc/14/73/53/641147353.db2.gz GEDFXJIBCRXPNN-UHFFFAOYSA-N 1 0 280.412 2.468 20 10 CECDRO COc1ccc(O)c(C[NH+]2CCC([C@H](C)CO)CC2)c1 ZINC000846059140 641165425 /nfs/dbraw/zinc/16/54/25/641165425.db2.gz YVTYHKPPIGPDKL-GFCCVEGCSA-N 1 0 279.380 2.241 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](CO)CCF)ccc1OC ZINC000846096405 641179446 /nfs/dbraw/zinc/17/94/46/641179446.db2.gz HLEHPWSVTHUDHE-CQSZACIVSA-N 1 0 285.359 2.042 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(O)c1 ZINC000846110307 641185642 /nfs/dbraw/zinc/18/56/42/641185642.db2.gz GLCOEFGBKBPGDS-TXEJJXNPSA-N 1 0 269.291 2.488 20 10 CECDRO COCC[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846144278 641200793 /nfs/dbraw/zinc/20/07/93/641200793.db2.gz IPPPLULGTUWTKN-GHMZBOCLSA-N 1 0 253.342 2.476 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(C)C2)c1O ZINC000846144556 641200894 /nfs/dbraw/zinc/20/08/94/641200894.db2.gz MJZGPDGZWXYVPV-NEPJUHHUSA-N 1 0 264.369 2.146 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000846146777 641201818 /nfs/dbraw/zinc/20/18/18/641201818.db2.gz LLENTPHDJSUDAF-NWDGAFQWSA-N 1 0 275.352 2.337 20 10 CECDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148221 641203336 /nfs/dbraw/zinc/20/33/36/641203336.db2.gz YDSRANTUMRSIPH-QMTHXVAHSA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC)c1O ZINC000846162981 641208338 /nfs/dbraw/zinc/20/83/38/641208338.db2.gz CWNGTJZJWXWUBK-HBNTYKKESA-N 1 0 253.342 2.475 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846163132 641209541 /nfs/dbraw/zinc/20/95/41/641209541.db2.gz KXUAFCWSXCTXGE-NJZAAPMLSA-N 1 0 295.379 2.245 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC2(C)OCCCO2)c1O ZINC000846167526 641210661 /nfs/dbraw/zinc/21/06/61/641210661.db2.gz ZYYDHVFDVNPPDT-NSHDSACASA-N 1 0 281.352 2.205 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCF)c2c1c(F)ccc2O ZINC000846208770 641222951 /nfs/dbraw/zinc/22/29/51/641222951.db2.gz KYMFSHUSDDSEOP-KKZNHRDASA-N 1 0 271.307 2.390 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CO)CCF)c1ccc(C)cc1O ZINC000846209380 641223112 /nfs/dbraw/zinc/22/31/12/641223112.db2.gz QSKNJFYUWJSZHP-DGCLKSJQSA-N 1 0 255.333 2.462 20 10 CECDRO Cc1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)c(O)c1O ZINC000182386714 641652868 /nfs/dbraw/zinc/65/28/68/641652868.db2.gz GHDJIHPIBMMUMG-UHFFFAOYSA-N 1 0 294.395 2.066 20 10 CECDRO C[C@H]([C@H](C)[NH2+][C@@H](C)c1ccccc1O)N1CCOCC1 ZINC000183498154 641753893 /nfs/dbraw/zinc/75/38/93/641753893.db2.gz DRWMFKZCMWEPPH-MELADBBJSA-N 1 0 278.396 2.152 20 10 CECDRO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185329570 641964771 /nfs/dbraw/zinc/96/47/71/641964771.db2.gz JXCLECFNURCZFZ-HUUCEWRRSA-N 1 0 292.423 2.462 20 10 CECDRO CO[C@](C)(CO)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000848556422 642052410 /nfs/dbraw/zinc/05/24/10/642052410.db2.gz XNHGEMIJDDMGJW-RNCFNFMXSA-N 1 0 273.760 2.094 20 10 CECDRO CCc1cccc(C[N@H+](C)CCN2CCCC2=O)c1O ZINC000848884406 642169405 /nfs/dbraw/zinc/16/94/05/642169405.db2.gz LANWQPCKBPRSNU-UHFFFAOYSA-N 1 0 276.380 2.009 20 10 CECDRO CCc1cccc(C[NH2+]CCNC(=O)c2ccccc2)c1O ZINC000848894098 642175494 /nfs/dbraw/zinc/17/54/94/642175494.db2.gz GGNYLMALJALGOR-UHFFFAOYSA-N 1 0 298.386 2.474 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](C)CN2CCOCC2)c1O ZINC000848897081 642176943 /nfs/dbraw/zinc/17/69/43/642176943.db2.gz MSYAWOPWGCQATN-CQSZACIVSA-N 1 0 292.423 2.013 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)c1O ZINC000848897685 642176984 /nfs/dbraw/zinc/17/69/84/642176984.db2.gz SNFGTDKNLAHRDA-OCCSQVGLSA-N 1 0 276.380 2.088 20 10 CECDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(CC)c1O ZINC000848903502 642181830 /nfs/dbraw/zinc/18/18/30/642181830.db2.gz UTLMWUQELNFTBZ-GJZGRUSLSA-N 1 0 279.380 2.238 20 10 CECDRO CCc1cccc(C[NH2+]C(C)(C)CN2CCOCC2)c1O ZINC000848916334 642190080 /nfs/dbraw/zinc/19/00/80/642190080.db2.gz GNXYXQKJOVFFBK-UHFFFAOYSA-N 1 0 292.423 2.155 20 10 CECDRO [NH2+]=C(NCc1ccc(N2CCCC2)cc1)NC1CCC1 ZINC000848993257 642213617 /nfs/dbraw/zinc/21/36/17/642213617.db2.gz QMRUGKDLOGYHCD-UHFFFAOYSA-N 1 0 272.396 2.453 20 10 CECDRO CCC(O)(CC)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000788078205 642226660 /nfs/dbraw/zinc/22/66/60/642226660.db2.gz RXFZFJAHLFDMRR-UHFFFAOYSA-N 1 0 281.352 2.152 20 10 CECDRO CCC[N@H+](C)CC(=O)NCCCSc1nccs1 ZINC000736680503 642235202 /nfs/dbraw/zinc/23/52/02/642235202.db2.gz MPIGNKWZFNNXKK-UHFFFAOYSA-N 1 0 287.454 2.083 20 10 CECDRO CC(C)COC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921587105 642251739 /nfs/dbraw/zinc/25/17/39/642251739.db2.gz POVOYJSZKKZGAL-INIZCTEOSA-N 1 0 293.407 2.135 20 10 CECDRO O[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921587149 642251809 /nfs/dbraw/zinc/25/18/09/642251809.db2.gz QJWCSDDZPFBZDG-HUUCEWRRSA-N 1 0 261.365 2.405 20 10 CECDRO c1cn2c(n1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC000921631131 642288757 /nfs/dbraw/zinc/28/87/57/642288757.db2.gz JABLLWQJVVFVAD-OAHLLOKOSA-N 1 0 283.375 2.313 20 10 CECDRO CCCN(C[C@@H](OC)[C@H]1CCOC1)c1ccc(C[NH3+])cc1 ZINC000877477384 650739317 /nfs/dbraw/zinc/73/93/17/650739317.db2.gz CEGRBYHTPHHUMF-DOTOQJQBSA-N 1 0 292.423 2.413 20 10 CECDRO [NH3+]C1(CNCc2c(O)cccc2Cl)CCCC1 ZINC000849350487 642340427 /nfs/dbraw/zinc/34/04/27/642340427.db2.gz YXONGTCLSUMHFM-UHFFFAOYSA-N 1 0 254.761 2.407 20 10 CECDRO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC000877491995 650748405 /nfs/dbraw/zinc/74/84/05/650748405.db2.gz DSZUPFDFAZHKHB-CJNGLKHVSA-N 1 0 277.364 2.080 20 10 CECDRO CC[C@H]1C[N@H+](Cc2c(C)cccc2O)C[C@]2(CCOC2)O1 ZINC000877492957 650749883 /nfs/dbraw/zinc/74/98/83/650749883.db2.gz YZTLYJKUPSGYEE-YOEHRIQHSA-N 1 0 291.391 2.471 20 10 CECDRO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921738838 642568506 /nfs/dbraw/zinc/56/85/06/642568506.db2.gz UYRUQMARJCADHV-CABCVRRESA-N 1 0 261.365 2.405 20 10 CECDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850099604 642578230 /nfs/dbraw/zinc/57/82/30/642578230.db2.gz PSUHUSOZUDXYKX-KGYLQXTDSA-N 1 0 294.370 2.179 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@H](C)[S@]1=O ZINC000877519686 650763454 /nfs/dbraw/zinc/76/34/54/650763454.db2.gz ZLLGIPMCTITWMW-XEKQOVJPSA-N 1 0 281.421 2.432 20 10 CECDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877530924 650770984 /nfs/dbraw/zinc/77/09/84/650770984.db2.gz ZHXMNPPZZQTHBY-HNNXBMFYSA-N 1 0 290.407 2.439 20 10 CECDRO COCC1([NH2+]Cc2cccc(OC)c2O)CCCC1 ZINC000850345427 642674132 /nfs/dbraw/zinc/67/41/32/642674132.db2.gz ZZNLELDNLIPWNU-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000850386751 642694673 /nfs/dbraw/zinc/69/46/73/642694673.db2.gz ONAHYYVAHMQFJM-UHFFFAOYSA-N 1 0 277.364 2.042 20 10 CECDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCC2 ZINC000850388054 642695816 /nfs/dbraw/zinc/69/58/16/642695816.db2.gz GMHFMPYIPGQJFW-CABCVRRESA-N 1 0 259.349 2.015 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1F ZINC000850389461 642696645 /nfs/dbraw/zinc/69/66/45/642696645.db2.gz XLYLINCOEYVARD-LSDHHAIUSA-N 1 0 278.371 2.285 20 10 CECDRO c1cc2c(cc1C[NH2+]CCCO[C@H]1CCOC1)CCCO2 ZINC000921835000 642715834 /nfs/dbraw/zinc/71/58/34/642715834.db2.gz KZZSSOZGEOKLPR-INIZCTEOSA-N 1 0 291.391 2.297 20 10 CECDRO CO[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)[C@H]1CCOC1 ZINC000850485103 642728821 /nfs/dbraw/zinc/72/88/21/642728821.db2.gz XESFUPZXZCFOKE-ZIBATOQPSA-N 1 0 283.343 2.233 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC)[C@H]2CCOC2)c1 ZINC000850484216 642729211 /nfs/dbraw/zinc/72/92/11/642729211.db2.gz FIYNEEPBISZILD-MQIPJXDCSA-N 1 0 295.379 2.103 20 10 CECDRO CC[C@@H](COC)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489920 642730912 /nfs/dbraw/zinc/73/09/12/642730912.db2.gz YDLPUPXSBLVQLE-KBPBESRZSA-N 1 0 278.396 2.289 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCC3)c1O ZINC000850545428 642747386 /nfs/dbraw/zinc/74/73/86/642747386.db2.gz GVUHBEIPPMYDOV-LEWSCRJBSA-N 1 0 277.364 2.355 20 10 CECDRO OC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)CC1CC1 ZINC000850546420 642748265 /nfs/dbraw/zinc/74/82/65/642748265.db2.gz ZPSCJIIKKAXUTB-GXTWGEPZSA-N 1 0 261.365 2.378 20 10 CECDRO Cc1cncc(CC[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000850550695 642750143 /nfs/dbraw/zinc/75/01/43/642750143.db2.gz PJMWLAQFZZYNTL-CQSZACIVSA-N 1 0 269.348 2.310 20 10 CECDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1nccn1C ZINC000850573220 642755365 /nfs/dbraw/zinc/75/53/65/642755365.db2.gz XCJBSLLZOHUFNH-JQWIXIFHSA-N 1 0 257.337 2.464 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c(O)c1 ZINC000877561297 650790349 /nfs/dbraw/zinc/79/03/49/650790349.db2.gz DRHDOALIHDQKHV-XHSDSOJGSA-N 1 0 291.391 2.062 20 10 CECDRO CC(C)CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109769020 642925292 /nfs/dbraw/zinc/92/52/92/642925292.db2.gz ALVBNYIEBQXMND-CYBMUJFWSA-N 1 0 278.396 2.375 20 10 CECDRO COC(OC)[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000922314046 643021450 /nfs/dbraw/zinc/02/14/50/643021450.db2.gz XTEHDTMWJXVULS-FMFIFOJESA-N 1 0 278.396 2.363 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C2CC(CC(N)=O)C2)cc1 ZINC000922515081 643102895 /nfs/dbraw/zinc/10/28/95/643102895.db2.gz VRNIJFIWAPYMIY-ONEGZZNKSA-N 1 0 287.407 2.009 20 10 CECDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000922590370 643148057 /nfs/dbraw/zinc/14/80/57/643148057.db2.gz ROUGJXOFGLNDSD-INIZCTEOSA-N 1 0 292.423 2.209 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1O ZINC000922722618 643229767 /nfs/dbraw/zinc/22/97/67/643229767.db2.gz HJQBYDFNCISOLP-YUTCNCBUSA-N 1 0 275.348 2.082 20 10 CECDRO Cc1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)c(O)c1 ZINC000877631625 650823543 /nfs/dbraw/zinc/82/35/43/650823543.db2.gz LAJDCKBSFZTUIM-UHFFFAOYSA-N 1 0 261.365 2.341 20 10 CECDRO CCOc1ccc(C[NH2+]CC2CC3(C2)OCCO3)c(O)c1 ZINC000922799547 643269095 /nfs/dbraw/zinc/26/90/95/643269095.db2.gz RERKAPAGPBKVTK-UHFFFAOYSA-N 1 0 293.363 2.034 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCS1 ZINC000922843103 643290158 /nfs/dbraw/zinc/29/01/58/643290158.db2.gz PJJXGIPKGAXDBD-KOLCDFICSA-N 1 0 281.377 2.495 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CCOC(F)F)cc1 ZINC000852210956 643354226 /nfs/dbraw/zinc/35/42/26/643354226.db2.gz CIMZUEWUSPJKQM-UHFFFAOYSA-N 1 0 288.338 2.302 20 10 CECDRO Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1O ZINC000877666105 650840618 /nfs/dbraw/zinc/84/06/18/650840618.db2.gz WGMIJNJIXCFZMO-IAGOWNOFSA-N 1 0 299.370 2.325 20 10 CECDRO CCOCCOCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000922941007 643465422 /nfs/dbraw/zinc/46/54/22/643465422.db2.gz KINRUWCYCHFAMP-UHFFFAOYSA-N 1 0 284.375 2.034 20 10 CECDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cccc(OC)c2O)C[C@@H]1C ZINC000877667551 650842632 /nfs/dbraw/zinc/84/26/32/650842632.db2.gz YRWQJXKGZFKSOU-ZBEGNZNMSA-N 1 0 293.363 2.032 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1O ZINC000852584970 643482438 /nfs/dbraw/zinc/48/24/38/643482438.db2.gz VVRVLWGNPYOLRN-UONOGXRCSA-N 1 0 293.338 2.127 20 10 CECDRO COCC1(C2CC2)C[NH+](Cc2cc(OC)ccc2O)C1 ZINC000877685778 650850695 /nfs/dbraw/zinc/85/06/95/650850695.db2.gz GTDSQXAXDNIHCO-UHFFFAOYSA-N 1 0 277.364 2.259 20 10 CECDRO CC(=O)c1cc(F)cc(CN2[C@H](C)C[NH2+][C@@H](C)[C@H]2C)c1O ZINC000923446331 643714556 /nfs/dbraw/zinc/71/45/56/643714556.db2.gz YGUGNBAIYUNQHQ-OUAUKWLOSA-N 1 0 294.370 2.305 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2nn(C)cc2C(F)F)c1 ZINC000877734057 650877304 /nfs/dbraw/zinc/87/73/04/650877304.db2.gz GXTJFVPNBYQEPT-UHFFFAOYSA-N 1 0 297.305 2.362 20 10 CECDRO Cc1cc(C)c([C@H](C)NCC23CC(C2)C[NH2+]3)c(O)c1 ZINC000854228296 644017837 /nfs/dbraw/zinc/01/78/37/644017837.db2.gz UNQVEHNQUCELTH-FUJMWEONSA-N 1 0 260.381 2.412 20 10 CECDRO CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000854230366 644018850 /nfs/dbraw/zinc/01/88/50/644018850.db2.gz NXXASKDPZNSSHR-GXFFZTMASA-N 1 0 281.356 2.324 20 10 CECDRO C[NH2+]C[C@H](C)N[C@H](C)c1cc(Br)ccc1O ZINC000854232786 644020243 /nfs/dbraw/zinc/02/02/43/644020243.db2.gz UENFLBOZJZJWPR-DTWKUNHWSA-N 1 0 287.201 2.413 20 10 CECDRO Oc1ccccc1C[N@H+](C[C@@H](O)C1CC1)C[C@@H]1CCCO1 ZINC000838894861 644073095 /nfs/dbraw/zinc/07/30/95/644073095.db2.gz KNQPFHMZSYEWHP-DOTOQJQBSA-N 1 0 291.391 2.144 20 10 CECDRO FC(F)C1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839137932 644171043 /nfs/dbraw/zinc/17/10/43/644171043.db2.gz JRCASKNXHWEEKU-UHFFFAOYSA-N 1 0 282.334 2.220 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2cnc(C)o2)c(O)c1 ZINC000839170671 644179091 /nfs/dbraw/zinc/17/90/91/644179091.db2.gz RMVZFBGVLBCLJW-UHFFFAOYSA-N 1 0 262.309 2.377 20 10 CECDRO C[C@@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1ccccc1O ZINC000877756292 650898938 /nfs/dbraw/zinc/89/89/38/650898938.db2.gz FMQPXHHMDRWOKI-GFCCVEGCSA-N 1 0 291.395 2.189 20 10 CECDRO C[C@@H]([NH2+]Cc1cnn2c1CCC2)c1ccccc1O ZINC000877755994 650899306 /nfs/dbraw/zinc/89/93/06/650899306.db2.gz XGBNTKNCYPZDDY-LLVKDONJSA-N 1 0 257.337 2.386 20 10 CECDRO CCc1cccc(C[NH2+]CCC[C@@H]2CCOC2=O)c1O ZINC000877807996 650917215 /nfs/dbraw/zinc/91/72/15/650917215.db2.gz VOFONBSEVCNBGV-CYBMUJFWSA-N 1 0 277.364 2.388 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H]2C[C@H](O)C2)cc1Cl ZINC000877811431 650918272 /nfs/dbraw/zinc/91/82/72/650918272.db2.gz KFGISHCAIVZIBL-HOMQSWHASA-N 1 0 255.745 2.215 20 10 CECDRO COc1cc(C)cc(CN2CC[NH+](C(C)C)CC2)c1O ZINC000754724238 644420219 /nfs/dbraw/zinc/42/02/19/644420219.db2.gz RFSOBKWOEFEYKL-UHFFFAOYSA-N 1 0 278.396 2.235 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCOC[C@H]2C)c(O)c1 ZINC000756533049 644659892 /nfs/dbraw/zinc/65/98/92/644659892.db2.gz HOOHVXKISUMQMM-KGLIPLIRSA-N 1 0 278.396 2.072 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOC[C@@H]2CCOC2)c1 ZINC000756564208 644667439 /nfs/dbraw/zinc/66/74/39/644667439.db2.gz RIQGVGMXKVXKRW-ZIAGYGMSSA-N 1 0 279.380 2.404 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2c1c(F)ccc2O ZINC000756595488 644673191 /nfs/dbraw/zinc/67/31/91/644673191.db2.gz WCEWIJUZSCBAFR-CKYFFXLPSA-N 1 0 292.354 2.290 20 10 CECDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756660143 644680974 /nfs/dbraw/zinc/68/09/74/644680974.db2.gz JDPJQQDRMMYDFO-QWRGUYRKSA-N 1 0 276.380 2.186 20 10 CECDRO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)CC1=O ZINC000756739754 644688274 /nfs/dbraw/zinc/68/82/74/644688274.db2.gz ZCFMOKQKCSATAM-JQWIXIFHSA-N 1 0 280.343 2.191 20 10 CECDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)N(C)C ZINC000756737706 644688521 /nfs/dbraw/zinc/68/85/21/644688521.db2.gz YHBUYEVPZBZECC-FXPVBKGRSA-N 1 0 280.343 2.146 20 10 CECDRO Cc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)ncn1 ZINC000756775946 644691397 /nfs/dbraw/zinc/69/13/97/644691397.db2.gz NLOXXABNABZDAV-JTQLQIEISA-N 1 0 261.300 2.481 20 10 CECDRO C[NH+]1CCC([C@H]2CCN(C(=O)C3=CC(=O)CS3)C2)CC1 ZINC000756809266 644694738 /nfs/dbraw/zinc/69/47/38/644694738.db2.gz NLNXFMHBEJCBEH-LBPRGKRZSA-N 1 0 294.420 2.258 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cccnc2C)c1 ZINC000114505869 644698961 /nfs/dbraw/zinc/69/89/61/644698961.db2.gz QYGAKYPFAMGXGY-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]3COCC[C@H]31)OCO2 ZINC000756887104 644706886 /nfs/dbraw/zinc/70/68/86/644706886.db2.gz MUJXBNZYQWBEFG-DGCLKSJQSA-N 1 0 291.347 2.122 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)c(O)c1C ZINC000840825399 644763122 /nfs/dbraw/zinc/76/31/22/644763122.db2.gz GEZJQOZQZZGQKD-CHWSQXEVSA-N 1 0 276.380 2.186 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c1O ZINC000857061065 644806870 /nfs/dbraw/zinc/80/68/70/644806870.db2.gz JESXYKHCMCMLIH-IUODEOHRSA-N 1 0 263.381 2.405 20 10 CECDRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Cl)ccc1O ZINC000757659868 644832345 /nfs/dbraw/zinc/83/23/45/644832345.db2.gz STOOKDJTGSCQHR-IINYFYTJSA-N 1 0 299.798 2.484 20 10 CECDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000757708300 644838496 /nfs/dbraw/zinc/83/84/96/644838496.db2.gz XIFJWPXWXXECMG-GUYCJALGSA-N 1 0 273.424 2.325 20 10 CECDRO CCOc1cccc(CN2C[C@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226153 644858338 /nfs/dbraw/zinc/85/83/38/644858338.db2.gz GARGZGROZNAPFC-CJNGLKHVSA-N 1 0 276.380 2.104 20 10 CECDRO C[C@H](CC[NH+](C)C)NCc1cc(F)c(N(C)C)cc1F ZINC000858116630 645067038 /nfs/dbraw/zinc/06/70/38/645067038.db2.gz UCORGJUQPBVUCO-LLVKDONJSA-N 1 0 285.382 2.461 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CO1 ZINC000858185162 645082729 /nfs/dbraw/zinc/08/27/29/645082729.db2.gz RNRNHHOBHUQEEV-KOLCDFICSA-N 1 0 270.323 2.298 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CCc2cncn2C)cc1F ZINC000858195786 645086642 /nfs/dbraw/zinc/08/66/42/645086642.db2.gz CLMUHGLSZYGZRZ-UHFFFAOYSA-N 1 0 294.349 2.097 20 10 CECDRO C/C=C/C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000858290978 645108376 /nfs/dbraw/zinc/10/83/76/645108376.db2.gz LCXBJXZEXVSRRA-NSCUHMNNSA-N 1 0 264.344 2.328 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccnn2C)c(O)c1C ZINC000858435146 645158550 /nfs/dbraw/zinc/15/85/50/645158550.db2.gz XCFXLWMBDDBVHC-TZMCWYRMSA-N 1 0 289.379 2.127 20 10 CECDRO CC[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(C)cc1O ZINC000858435140 645158879 /nfs/dbraw/zinc/15/88/79/645158879.db2.gz WZJSMKNUUHLJHB-ZIAGYGMSSA-N 1 0 289.379 2.208 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000858471139 645172304 /nfs/dbraw/zinc/17/23/04/645172304.db2.gz BLCSYDFCTUXCDC-JQWIXIFHSA-N 1 0 291.347 2.313 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2COCCN2C)cc1 ZINC000858522499 645190730 /nfs/dbraw/zinc/19/07/30/645190730.db2.gz ZZKVAMTXYGKADP-RHSMWYFYSA-N 1 0 291.439 2.124 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2COCCN2C)cc1 ZINC000858522498 645191115 /nfs/dbraw/zinc/19/11/15/645191115.db2.gz ZZKVAMTXYGKADP-PBHICJAKSA-N 1 0 291.439 2.124 20 10 CECDRO CN(CC[NH2+][C@@H]1CCc2cccc(O)c21)CC(F)F ZINC000858597211 645217389 /nfs/dbraw/zinc/21/73/89/645217389.db2.gz WWHCTDFYJQOOMW-LLVKDONJSA-N 1 0 270.323 2.166 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CC[C@H](O)C2)c1O ZINC000858601317 645217803 /nfs/dbraw/zinc/21/78/03/645217803.db2.gz DWJFXHLMSOVNAZ-AAEUAGOBSA-N 1 0 298.814 2.071 20 10 CECDRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1C1CCC1 ZINC000858602584 645218355 /nfs/dbraw/zinc/21/83/55/645218355.db2.gz CTAJPFPKYVFTEU-ZIAGYGMSSA-N 1 0 286.375 2.123 20 10 CECDRO CCCC[N@H+](CCc1cn(C)nn1)Cc1ccccc1O ZINC000859297391 645450241 /nfs/dbraw/zinc/45/02/41/645450241.db2.gz ZJCNBAYZXKFXAQ-UHFFFAOYSA-N 1 0 288.395 2.366 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1C ZINC000763313114 645532429 /nfs/dbraw/zinc/53/24/29/645532429.db2.gz FZBXSLLKCWCJAZ-CQSZACIVSA-N 1 0 290.363 2.036 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000763381867 645540308 /nfs/dbraw/zinc/54/03/08/645540308.db2.gz JEAJSAPLAOLLJI-AWEZNQCLSA-N 1 0 297.420 2.018 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCC[S@](C)=O)cc1 ZINC000116920068 645575655 /nfs/dbraw/zinc/57/56/55/645575655.db2.gz LQGVBZMICGMZLH-LJQANCHMSA-N 1 0 282.453 2.391 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000860131592 645708550 /nfs/dbraw/zinc/70/85/50/645708550.db2.gz XDJPICAMNNMXNM-USXIJHARSA-N 1 0 274.408 2.488 20 10 CECDRO CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768450984 646124933 /nfs/dbraw/zinc/12/49/33/646124933.db2.gz KYMOPICSBJEAQF-BXUZGUMPSA-N 1 0 263.337 2.192 20 10 CECDRO COc1cc(C[N@@H+]2CCOC[C@@H](C)C2)c(O)cc1C ZINC000768466029 646127856 /nfs/dbraw/zinc/12/78/56/646127856.db2.gz VROSHAPABZTZKJ-NSHDSACASA-N 1 0 265.353 2.178 20 10 CECDRO CCC1(O)CC[NH+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000768466708 646128622 /nfs/dbraw/zinc/12/86/22/646128622.db2.gz VEFYNGVZDUDQPJ-UHFFFAOYSA-N 1 0 279.380 2.446 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c(O)c1 ZINC000768518952 646134620 /nfs/dbraw/zinc/13/46/20/646134620.db2.gz JRIJIKBADOPYFK-STQMWFEESA-N 1 0 279.380 2.384 20 10 CECDRO COc1cccc(O)c1CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000768545754 646137842 /nfs/dbraw/zinc/13/78/42/646137842.db2.gz CQBCBSYZAFGBQX-ZDUSSCGKSA-N 1 0 278.396 2.174 20 10 CECDRO CCOc1ccc(C[N@H+](C)CCCOC)c(O)c1 ZINC000769138898 646213977 /nfs/dbraw/zinc/21/39/77/646213977.db2.gz CEKMVJCZCGXCMB-UHFFFAOYSA-N 1 0 253.342 2.259 20 10 CECDRO CCOc1ccc(CN2CCC[C@@H]([NH+](C)C)C2)c(O)c1 ZINC000769301678 646239115 /nfs/dbraw/zinc/23/91/15/646239115.db2.gz BPRRRMUTKAEVMP-CQSZACIVSA-N 1 0 278.396 2.317 20 10 CECDRO CCOc1ccc(C[N@H+](C)C[C@H]2CCOC2)c(O)c1 ZINC000769531624 646283878 /nfs/dbraw/zinc/28/38/78/646283878.db2.gz DPTDYVPYRIUDQC-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO Oc1cccc(Br)c1C[N@H+]1CCC[C@@H](O)C1 ZINC000862211392 646365171 /nfs/dbraw/zinc/36/51/71/646365171.db2.gz IJSBESMPHANZAY-SECBINFHSA-N 1 0 286.169 2.111 20 10 CECDRO CN(C)c1cc(F)c(C[N@H+](C)CC(C)(C)O)cc1F ZINC000862245535 646378844 /nfs/dbraw/zinc/37/88/44/646378844.db2.gz RODUNWFCQMUCFG-UHFFFAOYSA-N 1 0 272.339 2.234 20 10 CECDRO C[NH+](C)CCN(C(=O)C1=CC(=O)CS1)C1CCCC1 ZINC000770402862 646388498 /nfs/dbraw/zinc/38/84/98/646388498.db2.gz WLPQZCLKQGGVHV-UHFFFAOYSA-N 1 0 282.409 2.400 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](O)C2(C)C)cc1F ZINC000862372560 646422740 /nfs/dbraw/zinc/42/27/40/646422740.db2.gz OJHJTVZYCWZPRP-AWEZNQCLSA-N 1 0 284.350 2.376 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1C ZINC000770751796 646434314 /nfs/dbraw/zinc/43/43/14/646434314.db2.gz DELLRQKNFQWMHY-NVXWUHKLSA-N 1 0 291.391 2.431 20 10 CECDRO CN1C[C@@H]([N@H+](C)Cc2cc(Cl)ccc2O)CCC1=O ZINC000862428645 646456182 /nfs/dbraw/zinc/45/61/82/646456182.db2.gz UEJDHTMFBDJCGN-LBPRGKRZSA-N 1 0 282.771 2.098 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000862464908 646468839 /nfs/dbraw/zinc/46/88/39/646468839.db2.gz BICDLTWSKUYTTP-AWEZNQCLSA-N 1 0 275.348 2.360 20 10 CECDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000862486780 646476291 /nfs/dbraw/zinc/47/62/91/646476291.db2.gz HWRMGSFJPYMQPR-CQSZACIVSA-N 1 0 275.348 2.442 20 10 CECDRO Oc1c(C[NH2+]C[C@H]2C[C@@H](O)C2)ccc2ccccc21 ZINC000862528027 646483034 /nfs/dbraw/zinc/48/30/34/646483034.db2.gz LJKAEFAPFVAXQG-VDISTLRHSA-N 1 0 257.333 2.406 20 10 CECDRO Cc1cc(CNC(=O)C[NH+](C)C)c(C)n1-c1ccccc1 ZINC000863165012 646662062 /nfs/dbraw/zinc/66/20/62/646662062.db2.gz HGOJWFJAOYKDNG-UHFFFAOYSA-N 1 0 285.391 2.272 20 10 CECDRO CCOc1cccc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863484951 646740055 /nfs/dbraw/zinc/74/00/55/646740055.db2.gz QNNIHDOOAINSTN-DGCLKSJQSA-N 1 0 264.369 2.021 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CC)CC(=O)N(C)C)cc1 ZINC000773730090 646770686 /nfs/dbraw/zinc/77/06/86/646770686.db2.gz KBEIQFPBZUXPIH-UHFFFAOYSA-N 1 0 277.412 2.053 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)cc1 ZINC000773846871 646780273 /nfs/dbraw/zinc/78/02/73/646780273.db2.gz LHIPTTUFKYKLHX-CJNGLKHVSA-N 1 0 262.397 2.345 20 10 CECDRO Cn1cc(C[N@H+](C)Cc2cc(Cl)ccc2O)cn1 ZINC000119691218 646843212 /nfs/dbraw/zinc/84/32/12/646843212.db2.gz TVSFCXSJLGGGIQ-UHFFFAOYSA-N 1 0 265.744 2.411 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1 ZINC000775369988 646946338 /nfs/dbraw/zinc/94/63/38/646946338.db2.gz JQEPAPUWHBEDMP-JSGCOSHPSA-N 1 0 295.379 2.247 20 10 CECDRO CC[NH+](CC)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775408770 646951113 /nfs/dbraw/zinc/95/11/13/646951113.db2.gz BTEXGCZIXSODJB-CYBMUJFWSA-N 1 0 277.412 2.272 20 10 CECDRO CC[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1O ZINC000775500935 646960587 /nfs/dbraw/zinc/96/05/87/646960587.db2.gz MJLMXDUCKIMGIT-JQWIXIFHSA-N 1 0 282.771 2.317 20 10 CECDRO CC[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccccc1O ZINC000775499176 646960644 /nfs/dbraw/zinc/96/06/44/646960644.db2.gz PJOPINMQSJBBRM-HIFRSBDPSA-N 1 0 278.396 2.154 20 10 CECDRO CCOc1ccc(N(C)CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000775620045 646973420 /nfs/dbraw/zinc/97/34/20/646973420.db2.gz WLSGADQTUYULCH-CALCHBBNSA-N 1 0 290.407 2.385 20 10 CECDRO Cc1cccc(C[NH2+]CCCNc2ncccn2)c1O ZINC000775760161 646988825 /nfs/dbraw/zinc/98/88/25/646988825.db2.gz WNBNDGVGJHRQDK-UHFFFAOYSA-N 1 0 272.352 2.082 20 10 CECDRO C[C@H]1C[C@H]1NC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000864470517 647023888 /nfs/dbraw/zinc/02/38/88/647023888.db2.gz ZWHFVUORCSGADH-OIBJUYFYSA-N 1 0 253.733 2.068 20 10 CECDRO COc1cc(O)c(C[NH2+]Cc2cccc(F)n2)cc1OC ZINC000776251845 647042266 /nfs/dbraw/zinc/04/22/66/647042266.db2.gz DSGVABOVOVHWEY-UHFFFAOYSA-N 1 0 292.310 2.233 20 10 CECDRO CC[C@@H]1[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000864574699 647049472 /nfs/dbraw/zinc/04/94/72/647049472.db2.gz DTDRCPKLNDLYIJ-JKSUJKDBSA-N 1 0 289.423 2.099 20 10 CECDRO Cc1cc(O)c(C[NH2+]Cc2ccnc(N(C)C)n2)cc1C ZINC000776497186 647066947 /nfs/dbraw/zinc/06/69/47/647066947.db2.gz QLBQKTOERFWZGH-UHFFFAOYSA-N 1 0 286.379 2.155 20 10 CECDRO COCC1([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000777238141 647122728 /nfs/dbraw/zinc/12/27/28/647122728.db2.gz OXRTUVXZFNLVMM-UHFFFAOYSA-N 1 0 290.407 2.433 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2cnc3c(cnn3C)c2)cc1 ZINC000865404518 647276805 /nfs/dbraw/zinc/27/68/05/647276805.db2.gz OFQDAMNOICVRKG-UHFFFAOYSA-N 1 0 295.390 2.324 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000779347192 647315419 /nfs/dbraw/zinc/31/54/19/647315419.db2.gz LENVIYYQQCXAHY-CABCVRRESA-N 1 0 262.397 2.310 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1F ZINC000120651877 647392245 /nfs/dbraw/zinc/39/22/45/647392245.db2.gz UUNRMAPDIZVCPZ-CYBMUJFWSA-N 1 0 293.386 2.122 20 10 CECDRO CCC[C@H](CCO)[NH2+]Cc1cc(OCC)ccc1O ZINC000865662567 647412810 /nfs/dbraw/zinc/41/28/10/647412810.db2.gz BMJZGINTPPFSDN-CYBMUJFWSA-N 1 0 267.369 2.432 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@H](O)C(F)F)cc1C ZINC000865689052 647423363 /nfs/dbraw/zinc/42/33/63/647423363.db2.gz VJYGIOIYTDSIHD-NSHDSACASA-N 1 0 259.296 2.115 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000865693269 647426897 /nfs/dbraw/zinc/42/68/97/647426897.db2.gz OQIZLBSJUPDBQD-PWVNGHJPSA-N 1 0 289.375 2.304 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1 ZINC000865711141 647434113 /nfs/dbraw/zinc/43/41/13/647434113.db2.gz JAAGJNLRVDRPNT-KWQFWETISA-N 1 0 263.259 2.102 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1 ZINC000865711140 647434310 /nfs/dbraw/zinc/43/43/10/647434310.db2.gz JAAGJNLRVDRPNT-KCJUWKMLSA-N 1 0 263.259 2.102 20 10 CECDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@H](O)[C@@H](C)O)cc1 ZINC000865742339 647447620 /nfs/dbraw/zinc/44/76/20/647447620.db2.gz YMCGXKGCSLLDDS-RHSMWYFYSA-N 1 0 294.439 2.144 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCOCC3(CC3)C1)CCC2 ZINC000782298312 647610255 /nfs/dbraw/zinc/61/02/55/647610255.db2.gz SWEQIKVUNALQMY-UHFFFAOYSA-N 1 0 273.376 2.493 20 10 CECDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000782981109 647667821 /nfs/dbraw/zinc/66/78/21/647667821.db2.gz XXUBWTOMXYGDPR-MNOVXSKESA-N 1 0 254.349 2.141 20 10 CECDRO O=C1NCC2(CC[NH+](Cc3cc(Cl)ccc3O)CC2)O1 ZINC000783721747 647751555 /nfs/dbraw/zinc/75/15/55/647751555.db2.gz MPYYENDTLFIOAX-UHFFFAOYSA-N 1 0 296.754 2.120 20 10 CECDRO OC[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000783745887 647756438 /nfs/dbraw/zinc/75/64/38/647756438.db2.gz WXPUTUNYBDOFDU-AEFFLSMTSA-N 1 0 286.419 2.491 20 10 CECDRO CC(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000121047216 647782174 /nfs/dbraw/zinc/78/21/74/647782174.db2.gz VANYEHGPQZVPBB-OAHLLOKOSA-N 1 0 277.364 2.352 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCCS1)OCO2 ZINC000122016323 648053617 /nfs/dbraw/zinc/05/36/17/648053617.db2.gz YLVBXSGXKZYACH-SNVBAGLBSA-N 1 0 267.350 2.106 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1C ZINC000787247245 648090138 /nfs/dbraw/zinc/09/01/38/648090138.db2.gz SNGYKTLNQKIRDZ-ABAIWWIYSA-N 1 0 289.375 2.264 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](CCOC)[C@H]2CCOC2)c1 ZINC000787334223 648100871 /nfs/dbraw/zinc/10/08/71/648100871.db2.gz HCFUUNRNALQJNJ-AWEZNQCLSA-N 1 0 295.379 2.028 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@H]2C)c1O ZINC000787420297 648107439 /nfs/dbraw/zinc/10/74/39/648107439.db2.gz GFAYYFAZOWNGHQ-DGCLKSJQSA-N 1 0 293.363 2.174 20 10 CECDRO COC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1CCCO1 ZINC000788535249 648199996 /nfs/dbraw/zinc/19/99/96/648199996.db2.gz LDYMXEWHRVILTE-TZMCWYRMSA-N 1 0 285.771 2.329 20 10 CECDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868626392 648201282 /nfs/dbraw/zinc/20/12/82/648201282.db2.gz IWMVKWVUDRHGKZ-CHWSQXEVSA-N 1 0 293.411 2.481 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000793215939 648725111 /nfs/dbraw/zinc/72/51/11/648725111.db2.gz YPQWQWZQVATBHI-BZNIZROVSA-N 1 0 277.364 2.400 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000793215940 648725188 /nfs/dbraw/zinc/72/51/88/648725188.db2.gz YPQWQWZQVATBHI-MEDUHNTESA-N 1 0 277.364 2.400 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2ncccc2O)c1O ZINC000793258907 648732499 /nfs/dbraw/zinc/73/24/99/648732499.db2.gz QAPYXCXPBQMYJQ-UHFFFAOYSA-N 1 0 274.320 2.181 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]Cc2ncccc2O)c1O ZINC000793260080 648733400 /nfs/dbraw/zinc/73/34/00/648733400.db2.gz XQGNINBJIPGBDS-UHFFFAOYSA-N 1 0 294.738 2.445 20 10 CECDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(C)cc2O)CCOC1 ZINC000123157466 648826354 /nfs/dbraw/zinc/82/63/54/648826354.db2.gz DRQKFDKWMQODBT-DOMZBBRYSA-N 1 0 265.353 2.157 20 10 CECDRO C[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1O ZINC000870988314 648971091 /nfs/dbraw/zinc/97/10/91/648971091.db2.gz MGZSGATXOHLYQL-SRVKXCTJSA-N 1 0 262.353 2.087 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@H]2COCCO2)cc1C ZINC000873017060 649532367 /nfs/dbraw/zinc/53/23/67/649532367.db2.gz UUAMHKDGVFUWJU-HNNXBMFYSA-N 1 0 279.380 2.289 20 10 CECDRO CC[C@@H](O)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000124387520 649554494 /nfs/dbraw/zinc/55/44/94/649554494.db2.gz HVEJLXGNMPRSQI-OAHLLOKOSA-N 1 0 250.386 2.393 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCC[C@H]2CCOC2=O)c1 ZINC000873161234 649575742 /nfs/dbraw/zinc/57/57/42/649575742.db2.gz MFTJHKQWIXXULN-LBPRGKRZSA-N 1 0 263.337 2.134 20 10 CECDRO C[NH+]1CCC(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000124807062 649746021 /nfs/dbraw/zinc/74/60/21/649746021.db2.gz RGEDAIZGMMNCKR-UHFFFAOYSA-N 1 0 268.788 2.477 20 10 CECDRO C[C@H](CC(=O)N(C)Cc1ccccc1O)[C@@H]1CCC[NH2+]C1 ZINC000127232173 651138103 /nfs/dbraw/zinc/13/81/03/651138103.db2.gz WTDCWRIYZYWCHL-ZIAGYGMSSA-N 1 0 290.407 2.376 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](OC)C[C@]2(C)CO)cc1 ZINC000879262683 651272813 /nfs/dbraw/zinc/27/28/13/651272813.db2.gz XTWRTBSNIYORMC-IAGOWNOFSA-N 1 0 292.423 2.114 20 10 CECDRO CC(C)[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647863 651335108 /nfs/dbraw/zinc/33/51/08/651335108.db2.gz OJJGDLXXJCJBLO-NWDGAFQWSA-N 1 0 264.369 2.204 20 10 CECDRO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651966 651336047 /nfs/dbraw/zinc/33/60/47/651336047.db2.gz RDYNGXPJHOKLML-RYUDHWBXSA-N 1 0 264.369 2.348 20 10 CECDRO CC[C@@](C)([NH3+])c1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881377170 651702050 /nfs/dbraw/zinc/70/20/50/651702050.db2.gz HHPXJZQVZFRMIT-MRXNPFEDSA-N 1 0 287.411 2.285 20 10 CECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCSC1 ZINC000130542554 652281535 /nfs/dbraw/zinc/28/15/35/652281535.db2.gz AQKJGWYYGTWSEM-MRXNPFEDSA-N 1 0 292.448 2.461 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CCCOC1 ZINC000883183576 652392423 /nfs/dbraw/zinc/39/24/23/652392423.db2.gz FCDFURAWRBBAPA-JKSUJKDBSA-N 1 0 291.391 2.153 20 10 CECDRO CC[C@@]1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000214497864 652405694 /nfs/dbraw/zinc/40/56/94/652405694.db2.gz VVYNHTSTCGSZMD-KRWDZBQOSA-N 1 0 289.423 2.243 20 10 CECDRO CCOc1cccc(C[N@H+](C)C2CCOCC2)c1O ZINC000132326661 652513759 /nfs/dbraw/zinc/51/37/59/652513759.db2.gz RELZGDUAHAZBDX-UHFFFAOYSA-N 1 0 265.353 2.402 20 10 CECDRO O=C(OCCC[NH+]1CCCCC1)C1=CC(=O)CS1 ZINC000800164716 652669348 /nfs/dbraw/zinc/66/93/48/652669348.db2.gz DNFCOCLKKXESAN-UHFFFAOYSA-N 1 0 269.366 2.487 20 10 CECDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000135127523 652935563 /nfs/dbraw/zinc/93/55/63/652935563.db2.gz JCUYZZLMGUIEQJ-ZDUSSCGKSA-N 1 0 277.412 2.272 20 10 CECDRO COC(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000135229141 652953216 /nfs/dbraw/zinc/95/32/16/652953216.db2.gz MNVYIPGLKOZFJY-UHFFFAOYSA-N 1 0 278.396 2.038 20 10 CECDRO CN(C)c1ccc(CN2C[C@H]([NH3+])[C@@H](F)C2)c2ccccc21 ZINC001204892017 806669283 /nfs/dbraw/zinc/66/92/83/806669283.db2.gz UHIVHLCWTLFMTE-HOTGVXAUSA-N 1 0 287.382 2.387 20 10 CECDRO C[NH2+]C1CN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001204714622 806742553 /nfs/dbraw/zinc/74/25/53/806742553.db2.gz QOPBFUHSALNWKJ-UHFFFAOYSA-N 1 0 261.152 2.103 20 10 CECDRO CN(C)CC(C)(C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000698057681 806962571 /nfs/dbraw/zinc/96/25/71/806962571.db2.gz KFUTZFXMRAIHNN-UHFFFAOYSA-N 1 0 262.397 2.441 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)CC2CCC2)cc1C ZINC001125281412 802344217 /nfs/dbraw/zinc/34/42/17/802344217.db2.gz MBXOGCSQTKELRO-UHFFFAOYSA-N 1 0 290.407 2.400 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)[C@H]1CO ZINC001140057733 802549878 /nfs/dbraw/zinc/54/98/78/802549878.db2.gz LJOAXTFMIMDZBC-MFKMUULPSA-N 1 0 253.317 2.124 20 10 CECDRO Oc1cccc(Br)c1C[NH2+]C1CSC1 ZINC000706854217 802843194 /nfs/dbraw/zinc/84/31/94/802843194.db2.gz WIOOLUSHTPPITG-UHFFFAOYSA-N 1 0 274.183 2.360 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CC(=O)N(C)C2)c(O)c1 ZINC000723543904 802884541 /nfs/dbraw/zinc/88/45/41/802884541.db2.gz BIMSUAIZIKDSEO-OLZOCXBDSA-N 1 0 276.380 2.220 20 10 CECDRO CC[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000723545749 802884615 /nfs/dbraw/zinc/88/46/15/802884615.db2.gz KUPDQAUYKDMVJQ-GXTWGEPZSA-N 1 0 276.380 2.301 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C(C)(C)C)C2)c1 ZINC000693905647 803405291 /nfs/dbraw/zinc/40/52/91/803405291.db2.gz IULXFCDWKBCYSG-ZDUSSCGKSA-N 1 0 278.396 2.363 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC000724815038 803495559 /nfs/dbraw/zinc/49/55/59/803495559.db2.gz ZWURIQLTZDGMQO-IAQYHMDHSA-N 1 0 263.337 2.012 20 10 CECDRO CCc1cccc(C[NH2+]CC[C@@H](COC)OC)c1O ZINC000694254227 803523416 /nfs/dbraw/zinc/52/34/16/803523416.db2.gz IMSCJBYEQPSEIO-AWEZNQCLSA-N 1 0 267.369 2.096 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC001117779003 814947752 /nfs/dbraw/zinc/94/77/52/814947752.db2.gz CWQRAJSMMCSADS-YVECIDJPSA-N 1 0 288.391 2.493 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c(O)c1 ZINC001140850010 803583280 /nfs/dbraw/zinc/58/32/80/803583280.db2.gz ABZNKNBKXVXUEA-BLLLJJGKSA-N 1 0 278.396 2.051 20 10 CECDRO C[C@@H](C[NH2+]Cc1cc(F)ccc1O)CC1(C)OCCO1 ZINC000715907678 815005018 /nfs/dbraw/zinc/00/50/18/815005018.db2.gz IJNFTIUWDCNUEN-LLVKDONJSA-N 1 0 283.343 2.410 20 10 CECDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1=O ZINC000722361600 804382687 /nfs/dbraw/zinc/38/26/87/804382687.db2.gz NOZNCTGDUCIWIV-CQSZACIVSA-N 1 0 276.380 2.104 20 10 CECDRO CCc1cccc(C[NH2+]CCC2(C)OCCO2)c1O ZINC000716047117 815018633 /nfs/dbraw/zinc/01/86/33/815018633.db2.gz JIOQOIXFUIGBHD-UHFFFAOYSA-N 1 0 265.353 2.197 20 10 CECDRO CN1CCCc2cc(CNC(=O)CC(C)(C)C[NH3+])ccc21 ZINC001121915108 807532337 /nfs/dbraw/zinc/53/23/37/807532337.db2.gz ACRVCXKFDRONGB-UHFFFAOYSA-N 1 0 289.423 2.060 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C(=O)C1)c1ccccc1O ZINC001172003193 815261296 /nfs/dbraw/zinc/26/12/96/815261296.db2.gz SQVVFLJUQZVSDN-VXGBXAGGSA-N 1 0 274.364 2.196 20 10 CECDRO CC(C)(O)C[NH2+]Cc1ccc(Br)cc1O ZINC000701014871 809379569 /nfs/dbraw/zinc/37/95/69/809379569.db2.gz LGNFMUCJYOHIAS-UHFFFAOYSA-N 1 0 274.158 2.015 20 10 CECDRO COc1ccc(C[NH2+]C2CCC(OC)CC2)c(O)c1 ZINC000703831152 809695858 /nfs/dbraw/zinc/69/58/58/809695858.db2.gz CLDIAOYVTGCXQS-UHFFFAOYSA-N 1 0 265.353 2.448 20 10 CECDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)c1ccc(N)cc1 ZINC000706291738 809817826 /nfs/dbraw/zinc/81/78/26/809817826.db2.gz SAEMOLVLXQAZOH-VXGBXAGGSA-N 1 0 261.369 2.104 20 10 CECDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCC[C@@H]1O ZINC000706804247 809854631 /nfs/dbraw/zinc/85/46/31/809854631.db2.gz GMUASOBRVCPEHY-JQWIXIFHSA-N 1 0 286.169 2.158 20 10 CECDRO Oc1cccc(Br)c1C[NH2+]CCN1CCCC1 ZINC000706851951 809857577 /nfs/dbraw/zinc/85/75/77/809857577.db2.gz AYOIHGUUCJETTH-UHFFFAOYSA-N 1 0 299.212 2.340 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)CO1 ZINC000711220639 810050447 /nfs/dbraw/zinc/05/04/47/810050447.db2.gz UKTNMKBOMIAIQA-NWDGAFQWSA-N 1 0 251.326 2.058 20 10 CECDRO COc1cccc(C[NH2+]CCC(C)(C)OC)c1O ZINC000711883852 810104305 /nfs/dbraw/zinc/10/43/05/810104305.db2.gz JRTWMTKTFNRAPJ-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO C[C@@H](O)CCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001118804515 810369037 /nfs/dbraw/zinc/36/90/37/810369037.db2.gz MJBFTGNCMNFQSC-SNVBAGLBSA-N 1 0 272.339 2.281 20 10 CECDRO Nc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC001122535712 815422906 /nfs/dbraw/zinc/42/29/06/815422906.db2.gz GAXIIUPTRSGWKP-BPUTZDHNSA-N 1 0 287.407 2.196 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1O ZINC001168985353 811310526 /nfs/dbraw/zinc/31/05/26/811310526.db2.gz DNCNNQMPDXWBGE-YPMHNXCESA-N 1 0 264.325 2.236 20 10 CECDRO CC(C)COCC[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172456403 815444737 /nfs/dbraw/zinc/44/47/37/815444737.db2.gz DQNUKRJPBVZJRD-LRDDRELGSA-N 1 0 297.395 2.172 20 10 CECDRO CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC001169580918 811589094 /nfs/dbraw/zinc/58/90/94/811589094.db2.gz ZZWPPQWLTCLDSK-WCQYABFASA-N 1 0 262.353 2.054 20 10 CECDRO C[C@@]1([NH2+]Cc2ccc(Br)cc2O)CCOC1 ZINC000691429590 811658186 /nfs/dbraw/zinc/65/81/86/811658186.db2.gz QQAOCTBGEHIOIH-GFCCVEGCSA-N 1 0 286.169 2.423 20 10 CECDRO c1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc2c1OCC2 ZINC000691452871 811857622 /nfs/dbraw/zinc/85/76/22/811857622.db2.gz UAVVIKSPFZQBCA-ZBFHGGJFSA-N 1 0 259.349 2.279 20 10 CECDRO CC(C)[C@H](O)C[NH2+]Cc1ccc(Br)cc1O ZINC000691452064 811857645 /nfs/dbraw/zinc/85/76/45/811857645.db2.gz CAQWVVBXIFRHGS-GFCCVEGCSA-N 1 0 288.185 2.261 20 10 CECDRO CC(C)(CO)C[NH2+]Cc1ccc(Br)cc1O ZINC000691452069 811857823 /nfs/dbraw/zinc/85/78/23/811857823.db2.gz CCEAKMJPSQPOEC-UHFFFAOYSA-N 1 0 288.185 2.263 20 10 CECDRO CN(c1ccc(Cn2ccnc2)cc1)C(C)(C)C[NH3+] ZINC001170058751 812014034 /nfs/dbraw/zinc/01/40/34/812014034.db2.gz DMSWMHKTHMDJJX-UHFFFAOYSA-N 1 0 258.369 2.105 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000384667886 813121847 /nfs/dbraw/zinc/12/18/47/813121847.db2.gz XHACOWAOIVRXHB-OPQQBVKSSA-N 1 0 251.326 2.056 20 10 CECDRO CC1(C)[C@@H]2C[C@@H]([NH2+]C[C@H](O)c3ccc(O)c(O)c3)C[C@@H]21 ZINC001170712670 813179047 /nfs/dbraw/zinc/17/90/47/813179047.db2.gz LUQGCHLDQDZDHC-OHTBPHCPSA-N 1 0 277.364 2.155 20 10 CECDRO CO[C@@H]([C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000388208343 813232996 /nfs/dbraw/zinc/23/29/96/813232996.db2.gz FCWAJWYMPQJABG-PSLIRLAXSA-N 1 0 279.336 2.024 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)c(O)c1 ZINC000389071620 813247251 /nfs/dbraw/zinc/24/72/51/813247251.db2.gz MINGBMOHPYURNX-YPMHNXCESA-N 1 0 265.353 2.306 20 10 CECDRO CCC1([NH2+]Cc2cccc(OC)c2O)CCOCC1 ZINC000389500205 813251440 /nfs/dbraw/zinc/25/14/40/813251440.db2.gz VPPQLQMSKOJECI-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cnccn2)c1 ZINC000390228931 813262222 /nfs/dbraw/zinc/26/22/22/813262222.db2.gz RJKLRZGVCHDXJJ-LLVKDONJSA-N 1 0 273.336 2.084 20 10 CECDRO CCN1C[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000391552898 813285665 /nfs/dbraw/zinc/28/56/65/813285665.db2.gz UUYHGPAROUKKCV-OCCSQVGLSA-N 1 0 275.396 2.024 20 10 CECDRO CC[C@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1ccccc1O ZINC000391464451 813286055 /nfs/dbraw/zinc/28/60/55/813286055.db2.gz BMYHGXNTUHXPSM-AAEUAGOBSA-N 1 0 262.353 2.054 20 10 CECDRO C[C@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000397168541 813605400 /nfs/dbraw/zinc/60/54/00/813605400.db2.gz CXIVPXXWYUCIAE-QGZVFWFLSA-N 1 0 290.407 2.039 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2=CCOCC2)c1 ZINC000397761070 813635751 /nfs/dbraw/zinc/63/57/51/813635751.db2.gz QERFSEYRWHDRTJ-LLVKDONJSA-N 1 0 263.337 2.398 20 10 CECDRO C/C=C(\NC=[NH2+])NCc1cc(Br)ccc1O ZINC001171174253 814051389 /nfs/dbraw/zinc/05/13/89/814051389.db2.gz OIAYVRNRKNNBFE-FUQNDXKWSA-N 1 0 284.157 2.302 20 10 CECDRO CCC[N@@H+](Cc1c(O)cc(O)cc1O)CC1CC1 ZINC001144499810 814089469 /nfs/dbraw/zinc/08/94/69/814089469.db2.gz JSBIUKUXJPEIFN-UHFFFAOYSA-N 1 0 251.326 2.425 20 10 CECDRO Oc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(O)c1 ZINC001144504365 814092741 /nfs/dbraw/zinc/09/27/41/814092741.db2.gz RAKKPKZTJTYPHQ-DTORHVGOSA-N 1 0 285.290 2.281 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(O)c1 ZINC001144508913 814096402 /nfs/dbraw/zinc/09/64/02/814096402.db2.gz DBRNZFUURUFCET-LBPRGKRZSA-N 1 0 271.263 2.035 20 10 CECDRO CC[N@H+](Cc1ccccn1)Cc1c(O)cc(O)cc1O ZINC001144514621 814098395 /nfs/dbraw/zinc/09/83/95/814098395.db2.gz MGTBMRIFFUBPMI-UHFFFAOYSA-N 1 0 274.320 2.221 20 10 CECDRO CN1CC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000712546506 814764949 /nfs/dbraw/zinc/76/49/49/814764949.db2.gz IKINHKGZYKXQGI-QGZVFWFLSA-N 1 0 273.424 2.471 20 10 CECDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)Cc1ccccc1O ZINC000713038343 814842523 /nfs/dbraw/zinc/84/25/23/814842523.db2.gz NLVVKHOMOAKNKC-AWEZNQCLSA-N 1 0 278.396 2.360 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)c1 ZINC000713481311 814858713 /nfs/dbraw/zinc/85/87/13/814858713.db2.gz SPWMOAGPEKDHKW-LSDHHAIUSA-N 1 0 277.364 2.448 20 10 CECDRO CC[N@H+](CCN(C)C)Cc1ccc(N(C)C)c(C)c1 ZINC001139669819 815624104 /nfs/dbraw/zinc/62/41/04/815624104.db2.gz PHYKMBZMSHUMNK-UHFFFAOYSA-N 1 0 263.429 2.445 20 10 CECDRO Cc1cc(C[NH+]2CC3(C2)CCOC3)ccc1N(C)C ZINC001139669726 815625453 /nfs/dbraw/zinc/62/54/53/815625453.db2.gz KBRBIMOKCNRISL-UHFFFAOYSA-N 1 0 260.381 2.283 20 10 CECDRO C[N@@H+]1CCN(Cc2c(O)cccc2F)CC1(C)C ZINC001137839256 815694079 /nfs/dbraw/zinc/69/40/79/815694079.db2.gz YLZQSEUHBIPGFB-UHFFFAOYSA-N 1 0 252.333 2.057 20 10 CECDRO C[NH+]1CCC2(C[NH+](Cc3c([O-])cccc3F)C2)CC1 ZINC001137840312 815694784 /nfs/dbraw/zinc/69/47/84/815694784.db2.gz XBMQPKSPFRKZOG-UHFFFAOYSA-N 1 0 264.344 2.059 20 10 CECDRO C[N@@H+]1CCC[C@H]2CN(Cc3c(O)cccc3F)C[C@H]21 ZINC001137840245 815695539 /nfs/dbraw/zinc/69/55/39/815695539.db2.gz UKTRTTVWNATNAY-SMDDNHRTSA-N 1 0 264.344 2.057 20 10 CECDRO C[C@H]1CC(=O)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC001138495404 815817458 /nfs/dbraw/zinc/81/74/58/815817458.db2.gz JAKJPAYXRHRRJD-AWEZNQCLSA-N 1 0 288.391 2.077 20 10 CECDRO CC[N@H+](C)C1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140060067 816180956 /nfs/dbraw/zinc/18/09/56/816180956.db2.gz JQUJSHWBASSKGV-UHFFFAOYSA-N 1 0 266.360 2.447 20 10 CECDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140337948 816236294 /nfs/dbraw/zinc/23/62/94/816236294.db2.gz OGOINZAZSRHENE-ZJUUUORDSA-N 1 0 255.745 2.248 20 10 CECDRO CC[NH+]1C[C@H]2CN(Cc3c(O)cccc3Cl)C[C@@H]2C1 ZINC001140342571 816237379 /nfs/dbraw/zinc/23/73/79/816237379.db2.gz PPSBTMVCOXYMST-RYUDHWBXSA-N 1 0 280.799 2.429 20 10 CECDRO COC[C@]12COC[C@H]1C[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140339715 816237881 /nfs/dbraw/zinc/23/78/81/816237881.db2.gz LZDMIYXYXMGJJG-IAQYHMDHSA-N 1 0 297.782 2.140 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001140463272 816260880 /nfs/dbraw/zinc/26/08/80/816260880.db2.gz YKGGTFFCYJEWRG-RNCFNFMXSA-N 1 0 255.745 2.248 20 10 CECDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2O)CCS1 ZINC001140623655 816307069 /nfs/dbraw/zinc/30/70/69/816307069.db2.gz OGDNSUYQDOJOGG-CQSZACIVSA-N 1 0 295.404 2.181 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c1 ZINC001140624018 816307242 /nfs/dbraw/zinc/30/72/42/816307242.db2.gz CAYIPHFYSMNLCK-CQSZACIVSA-N 1 0 285.347 2.144 20 10 CECDRO COC(=O)C1(C)CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140745298 816340630 /nfs/dbraw/zinc/34/06/30/816340630.db2.gz DMUPGVKSUCTUKB-UHFFFAOYSA-N 1 0 293.363 2.181 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCc3cccnc3C2)c1O ZINC001140748187 816341200 /nfs/dbraw/zinc/34/12/00/816341200.db2.gz UFWGRXNKRQSHAL-UHFFFAOYSA-N 1 0 270.332 2.360 20 10 CECDRO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140747469 816341424 /nfs/dbraw/zinc/34/14/24/816341424.db2.gz AUHBFPLHZWKJLB-ZDUSSCGKSA-N 1 0 281.352 2.036 20 10 CECDRO Cc1c(O)ccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1O ZINC001140747420 816342019 /nfs/dbraw/zinc/34/20/19/816342019.db2.gz CDXYOOSSUATZAX-IKARSPCKSA-N 1 0 275.348 2.015 20 10 CECDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749421 816342912 /nfs/dbraw/zinc/34/29/12/816342912.db2.gz YYLVWADWRWZGMJ-GWCFXTLKSA-N 1 0 293.363 2.037 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(O)c1 ZINC001140850982 816382264 /nfs/dbraw/zinc/38/22/64/816382264.db2.gz XMSVDNFYMWVELY-XJKSGUPXSA-N 1 0 292.423 2.441 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CC(OC)OC)c(O)c1 ZINC001140855476 816382430 /nfs/dbraw/zinc/38/24/30/816382430.db2.gz AQXSVKZQGMOJNM-UHFFFAOYSA-N 1 0 296.411 2.289 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CCN(C)C)c(O)c1 ZINC001140851902 816383303 /nfs/dbraw/zinc/38/33/03/816383303.db2.gz TVWYPTDCLYWJJJ-UHFFFAOYSA-N 1 0 279.428 2.232 20 10 CECDRO Cc1nccnc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001140938492 816419667 /nfs/dbraw/zinc/41/96/67/816419667.db2.gz VHKJMJVDQPLCJA-UHFFFAOYSA-N 1 0 255.321 2.049 20 10 CECDRO COCCCC[NH+]1CCN(Cc2ccc(C)cc2O)CC1 ZINC001140953743 816424256 /nfs/dbraw/zinc/42/42/56/816424256.db2.gz FYVPCXNNYLBZHO-UHFFFAOYSA-N 1 0 292.423 2.245 20 10 CECDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140957733 816426721 /nfs/dbraw/zinc/42/67/21/816426721.db2.gz MAFJZJBZGLDYLV-QEJZJMRPSA-N 1 0 289.375 2.474 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(OC)c1 ZINC001141027185 816448934 /nfs/dbraw/zinc/44/89/34/816448934.db2.gz QDYBVCHWYVVTIA-OUJBWJOFSA-N 1 0 281.327 2.342 20 10 CECDRO CCO[C@H]1CCC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141028456 816451103 /nfs/dbraw/zinc/45/11/03/816451103.db2.gz PEMRRUOTTSDOHV-LBPRGKRZSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cc(O)c(C[NH+]2CC3CC(C3)C2)c(OC)c1 ZINC001141030825 816451622 /nfs/dbraw/zinc/45/16/22/816451622.db2.gz MPJUFYBEAHVMOY-UHFFFAOYSA-N 1 0 263.337 2.251 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c(OC)c1 ZINC001141032372 816452662 /nfs/dbraw/zinc/45/26/62/816452662.db2.gz ZVOVOZYTMLOUHA-FZMZJTMJSA-N 1 0 295.379 2.002 20 10 CECDRO CCC[N@H+](CCOC)Cc1c(O)cc(OC)cc1OC ZINC001141031758 816452956 /nfs/dbraw/zinc/45/29/56/816452956.db2.gz JXTXQYRCGBGLSS-UHFFFAOYSA-N 1 0 283.368 2.268 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c(OC)c1 ZINC001141032319 816453187 /nfs/dbraw/zinc/45/31/87/816453187.db2.gz XYSZINKVQTVDMG-SMDDNHRTSA-N 1 0 295.379 2.002 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCN3C[C@@H](F)C[C@H]3C2)cc1 ZINC001176777116 816470970 /nfs/dbraw/zinc/47/09/70/816470970.db2.gz ICMKIWDGXCRLHI-RDJZCZTQSA-N 1 0 291.414 2.371 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCCC4(COC4)C3)ccc21 ZINC001141141171 816485625 /nfs/dbraw/zinc/48/56/25/816485625.db2.gz VLQQLPRLMGQASB-UHFFFAOYSA-N 1 0 288.391 2.128 20 10 CECDRO Oc1ccc(O)c(CN2CCC([NH+]3CCCC3)CC2)c1 ZINC001141155837 816488338 /nfs/dbraw/zinc/48/83/38/816488338.db2.gz LNFVLPXSDQUOEY-UHFFFAOYSA-N 1 0 276.380 2.158 20 10 CECDRO OCC[C@H]1CC12CC[NH+](Cc1cc(O)ccc1O)CC2 ZINC001141156496 816490008 /nfs/dbraw/zinc/49/00/08/816490008.db2.gz MFSZSVNDTIYOFR-ZDUSSCGKSA-N 1 0 277.364 2.082 20 10 CECDRO Oc1ccc(O)c(C[NH+]2CCC(c3ncccn3)CC2)c1 ZINC001141159739 816490453 /nfs/dbraw/zinc/49/04/53/816490453.db2.gz JYBHVMSZLMRBAU-UHFFFAOYSA-N 1 0 285.347 2.267 20 10 CECDRO CC[N@H+](Cc1cc(O)ccc1O)C1CCN(C)CC1 ZINC001141159111 816490811 /nfs/dbraw/zinc/49/08/11/816490811.db2.gz ZPKQRFPGOGKTKR-UHFFFAOYSA-N 1 0 264.369 2.014 20 10 CECDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159459 816490870 /nfs/dbraw/zinc/49/08/70/816490870.db2.gz GUNNPLPLCJECDW-LLVKDONJSA-N 1 0 293.363 2.261 20 10 CECDRO CCOC(=O)C1(C)CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141160227 816492455 /nfs/dbraw/zinc/49/24/55/816492455.db2.gz UMNRMYGWQIZRKK-UHFFFAOYSA-N 1 0 293.363 2.263 20 10 CECDRO C[NH+](C)CCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124750767 365659199 /nfs/dbraw/zinc/65/91/99/365659199.db2.gz VXAAMMQNFTWEMA-UHFFFAOYSA-N 1 0 256.777 2.477 20 10 CECDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCSC1 ZINC000125020569 365664094 /nfs/dbraw/zinc/66/40/94/365664094.db2.gz LFHMHVWIAHKVMF-SNVBAGLBSA-N 1 0 267.350 2.058 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000038013798 361981951 /nfs/dbraw/zinc/98/19/51/361981951.db2.gz WBNQLECLHJQAIT-RYUDHWBXSA-N 1 0 264.369 2.348 20 10 CECDRO C[N@H+](CCCO)Cc1ccc(N2CCCCC2)cc1 ZINC000052686788 343564908 /nfs/dbraw/zinc/56/49/08/343564908.db2.gz VPQRRGCSSLGSMG-UHFFFAOYSA-N 1 0 262.397 2.491 20 10 CECDRO CN(C)c1ccc(CN2CC[NH+](C3CC3)CC2)cc1F ZINC000127904297 282289527 /nfs/dbraw/zinc/28/95/27/282289527.db2.gz LBJATISKOOMWBC-UHFFFAOYSA-N 1 0 277.387 2.172 20 10 CECDRO COCCCN(C)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185553709 344509143 /nfs/dbraw/zinc/50/91/43/344509143.db2.gz NDSSJVKDYUQFFB-CQSZACIVSA-N 1 0 280.412 2.320 20 10 CECDRO CN1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000218321218 344536286 /nfs/dbraw/zinc/53/62/86/344536286.db2.gz MKOZRHXNQWCFFY-UHFFFAOYSA-N 1 0 299.212 2.339 20 10 CECDRO C[C@H](CCO)[NH2+]Cc1cc(Br)ccc1O ZINC000126696499 260356294 /nfs/dbraw/zinc/35/62/94/260356294.db2.gz GJMNNYUDTVOGQH-MRVPVSSYSA-N 1 0 274.158 2.015 20 10 CECDRO CC[NH+](CC)[C@@H]1CCN(Cc2cccc(OC)c2O)C1 ZINC000134063029 366281796 /nfs/dbraw/zinc/28/17/96/366281796.db2.gz SAHLXEIDNRAYKB-CQSZACIVSA-N 1 0 278.396 2.317 20 10 CECDRO Oc1ccccc1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000019913466 361567157 /nfs/dbraw/zinc/56/71/57/361567157.db2.gz FCORAOABMNDNAX-UHFFFAOYSA-N 1 0 285.343 2.496 20 10 CECDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000089729016 363996399 /nfs/dbraw/zinc/99/63/99/363996399.db2.gz ROMNGQXXKAVRHQ-XJKSGUPXSA-N 1 0 289.423 2.413 20 10 CECDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000089636713 363986173 /nfs/dbraw/zinc/98/61/73/363986173.db2.gz OSRWJNDJKVYKHV-OLZOCXBDSA-N 1 0 298.452 2.226 20 10 CECDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092456642 364077823 /nfs/dbraw/zinc/07/78/23/364077823.db2.gz TZBSKXVFCHPAQG-ZDUSSCGKSA-N 1 0 277.364 2.476 20 10 CECDRO Oc1c(F)cccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000160232049 366985432 /nfs/dbraw/zinc/98/54/32/366985432.db2.gz RCHTZWXHCFFSDK-CYBMUJFWSA-N 1 0 264.344 2.201 20 10 CECDRO Cn1cc(-c2cc(C[N@H+](C)Cc3ccccc3O)on2)cn1 ZINC000185033093 368738276 /nfs/dbraw/zinc/73/82/76/368738276.db2.gz UZSZNAQHEMBYHV-UHFFFAOYSA-N 1 0 298.346 2.413 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH+]2CCC(C)(CO)CC2)c1O ZINC000186933908 369070982 /nfs/dbraw/zinc/07/09/82/369070982.db2.gz DXFUWWCTXSSKGK-UHFFFAOYSA-N 1 0 295.354 2.328 20 10 CECDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccccc2O)c1 ZINC000189017245 369444710 /nfs/dbraw/zinc/44/47/10/369444710.db2.gz CALVMWRCGSQHGB-INIZCTEOSA-N 1 0 271.360 2.394 20 10 CECDRO CC[N@@H+](Cc1cccc(C)c1O)C[C@H](O)C(F)(F)F ZINC000189862868 369574004 /nfs/dbraw/zinc/57/40/04/369574004.db2.gz APMQVKMEGKVJPN-NSHDSACASA-N 1 0 277.286 2.446 20 10 CECDRO CC[C@@]1(C)CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000190330307 369613921 /nfs/dbraw/zinc/61/39/21/369613921.db2.gz AFUXYMHLDNGSSE-HNNXBMFYSA-N 1 0 279.336 2.122 20 10 CECDRO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccccc2O)cn1 ZINC000191735228 369737615 /nfs/dbraw/zinc/73/76/15/369737615.db2.gz UBRXFEBYCRWTOH-CQSZACIVSA-N 1 0 289.404 2.416 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1O ZINC000191718080 369735963 /nfs/dbraw/zinc/73/59/63/369735963.db2.gz TWZZLCLOUUVPCQ-PWSUYJOCSA-N 1 0 269.772 2.414 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCCO)c1 ZINC000223738880 370269859 /nfs/dbraw/zinc/26/98/59/370269859.db2.gz KVUQWDAJAAKXGS-NSHDSACASA-N 1 0 253.342 2.214 20 10 CECDRO [NH3+][C@H]1CC=C(C(=O)N2CCN(CC3CC3)c3ccccc32)C1 ZINC000638129199 370323232 /nfs/dbraw/zinc/32/32/32/370323232.db2.gz WHMGZBFCFQCAEH-HNNXBMFYSA-N 1 0 297.402 2.297 20 10 CECDRO COc1cccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1O ZINC000246779267 371008694 /nfs/dbraw/zinc/00/86/94/371008694.db2.gz QCXHNQYGNVSMGD-OCCSQVGLSA-N 1 0 295.404 2.107 20 10 CECDRO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(F)ccc1O ZINC000248835407 371252695 /nfs/dbraw/zinc/25/26/95/371252695.db2.gz MHPRNXJMKIWPBL-XEGUGMAKSA-N 1 0 293.338 2.305 20 10 CECDRO COc1cccc(C[NH2+]Cc2ncc(Cl)n2C)c1O ZINC000263773282 371948983 /nfs/dbraw/zinc/94/89/83/371948983.db2.gz DBTJLGTYJLSPEP-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO COc1cccc(CN2CCC[N@@H+](C(C)C)CC2)c1O ZINC000271028875 373076769 /nfs/dbraw/zinc/07/67/69/373076769.db2.gz XSOYCXHWEXQSBD-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO CC(C)[N@H+](Cc1cnnn1C)Cc1ccc(N(C)C)cc1 ZINC000271052695 373092411 /nfs/dbraw/zinc/09/24/11/373092411.db2.gz BBUDYDFYKCCYAS-UHFFFAOYSA-N 1 0 287.411 2.292 20 10 CECDRO CC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC000271412538 373188979 /nfs/dbraw/zinc/18/89/79/373188979.db2.gz XXQROTWGFYMGEH-TVQRCGJNSA-N 1 0 255.745 2.248 20 10 CECDRO C[C@@H]([NH2+]CCF)c1ccc(N2CCOCC2)cc1 ZINC000271767144 373201691 /nfs/dbraw/zinc/20/16/91/373201691.db2.gz FCWCTVFDAKLVGX-GFCCVEGCSA-N 1 0 252.333 2.143 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1F ZINC000272322534 373428205 /nfs/dbraw/zinc/42/82/05/373428205.db2.gz IRCLUYIBASXTLJ-KBPBESRZSA-N 1 0 266.360 2.141 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000272261104 373393445 /nfs/dbraw/zinc/39/34/45/373393445.db2.gz ARCLJNKWMYBRKH-ZFWWWQNUSA-N 1 0 260.381 2.227 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)[C@]12CCCO2 ZINC000272650470 373599026 /nfs/dbraw/zinc/59/90/26/373599026.db2.gz FKXSDGITPSEBCV-BZUAXINKSA-N 1 0 277.364 2.208 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)c(O)c1C ZINC000273379298 373753123 /nfs/dbraw/zinc/75/31/23/373753123.db2.gz HVOUXOVEEPISAC-DZGCQCFKSA-N 1 0 292.423 2.380 20 10 CECDRO COC[C@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1O)OC ZINC000273392635 373755280 /nfs/dbraw/zinc/75/52/80/373755280.db2.gz DVWMDEMKMATAON-OLZOCXBDSA-N 1 0 267.369 2.321 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c(O)c1C ZINC000273444045 373757036 /nfs/dbraw/zinc/75/70/36/373757036.db2.gz ZJXMTRKCGDBIJT-CHWSQXEVSA-N 1 0 297.420 2.094 20 10 CECDRO C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273502077 373759608 /nfs/dbraw/zinc/75/96/08/373759608.db2.gz QHHQSXDOIWPELX-LLVKDONJSA-N 1 0 291.351 2.213 20 10 CECDRO CN1CCc2cc(C[NH2+]CC3=CCCOC3)ccc21 ZINC000372360416 374106632 /nfs/dbraw/zinc/10/66/32/374106632.db2.gz RQRLDRPJEZMESG-UHFFFAOYSA-N 1 0 258.365 2.115 20 10 CECDRO Cc1cccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c1O ZINC000375472593 374659563 /nfs/dbraw/zinc/65/95/63/374659563.db2.gz WZIBSEGEINBOLY-GJZGRUSLSA-N 1 0 289.375 2.271 20 10 CECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COCC ZINC000282519609 375504870 /nfs/dbraw/zinc/50/48/70/375504870.db2.gz SZBKLJVGBGJNOY-OAHLLOKOSA-N 1 0 281.396 2.392 20 10 CECDRO CCC[C@@]1([NH2+]Cc2cccc(OC)c2O)CCOC1 ZINC000285429774 375838629 /nfs/dbraw/zinc/83/86/29/375838629.db2.gz HIAKHWPWIRDNGV-OAHLLOKOSA-N 1 0 265.353 2.450 20 10 CECDRO CCC[C@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCOC1 ZINC000285564405 375840180 /nfs/dbraw/zinc/84/01/80/375840180.db2.gz RULSCZLUDWUEHX-HNNXBMFYSA-N 1 0 279.336 2.170 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c1O ZINC000289222351 376388850 /nfs/dbraw/zinc/38/88/50/376388850.db2.gz AAPFSUOCZCGCTC-STQMWFEESA-N 1 0 279.380 2.384 20 10 CECDRO CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1O)c1nncn1C ZINC000289316139 376390864 /nfs/dbraw/zinc/39/08/64/376390864.db2.gz FFCNUVNSBKVHII-CYBMUJFWSA-N 1 0 278.331 2.147 20 10 CECDRO CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000294147461 377918987 /nfs/dbraw/zinc/91/89/87/377918987.db2.gz VFXFLUUFLPTUMO-MRXNPFEDSA-N 1 0 293.363 2.368 20 10 CECDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cccc(F)c1[O-] ZINC000294111151 377908417 /nfs/dbraw/zinc/90/84/17/377908417.db2.gz SQGZKYJPYIRLDB-QMTHXVAHSA-N 1 0 253.317 2.172 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1 ZINC000294528014 377995220 /nfs/dbraw/zinc/99/52/20/377995220.db2.gz ZTEHUIMCCSXQJQ-XKQJLSEDSA-N 1 0 292.423 2.333 20 10 CECDRO CS[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000295086264 378040246 /nfs/dbraw/zinc/04/02/46/378040246.db2.gz QZOVSRIRRKULCW-SNVBAGLBSA-N 1 0 267.350 2.058 20 10 CECDRO CCCN(CCC)c1ccc(C[NH2+][C@@H]2COC[C@H]2O)cc1 ZINC000295607301 378233813 /nfs/dbraw/zinc/23/38/13/378233813.db2.gz NNWGQVPFGAWBIZ-IAGOWNOFSA-N 1 0 292.423 2.162 20 10 CECDRO O=C1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C2(CCC2)N1 ZINC000296299581 378482707 /nfs/dbraw/zinc/48/27/07/378482707.db2.gz DOJKPZLYZKAWPW-GXTWGEPZSA-N 1 0 286.375 2.170 20 10 CECDRO CC[NH+](CC)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000298705715 378807756 /nfs/dbraw/zinc/80/77/56/378807756.db2.gz IRBMFMRUZBQXMN-UHFFFAOYSA-N 1 0 289.423 2.245 20 10 CECDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000487554681 380087198 /nfs/dbraw/zinc/08/71/98/380087198.db2.gz RULYFMSEMDHBPI-WFASDCNBSA-N 1 0 299.418 2.301 20 10 CECDRO Cc1cccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1O ZINC000529676382 380183193 /nfs/dbraw/zinc/18/31/93/380183193.db2.gz IYKGSRQIZZYXOO-UHFFFAOYSA-N 1 0 290.407 2.439 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)cc1OC ZINC000529669296 380183598 /nfs/dbraw/zinc/18/35/98/380183598.db2.gz LFVLHDGEGBIABT-CVEARBPZSA-N 1 0 295.379 2.455 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1COCCN1)c1cc(Cl)ccc1O ZINC000530223915 380197515 /nfs/dbraw/zinc/19/75/15/380197515.db2.gz IXPUBWKDZYKBMV-DGCLKSJQSA-N 1 0 284.787 2.075 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCC(=O)N(C)C)c(O)c1 ZINC000185194346 262301868 /nfs/dbraw/zinc/30/18/68/262301868.db2.gz FCJLHLQTPWNDEP-GFCCVEGCSA-N 1 0 264.369 2.220 20 10 CECDRO CN(C)c1ccc(CNc2nccc(N(C)C)n2)cc1 ZINC000301700891 394464551 /nfs/dbraw/zinc/46/45/51/394464551.db2.gz SJNIAJSRRYCYGW-UHFFFAOYSA-N 1 0 271.368 2.221 20 10 CECDRO C[C@H](O)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000092969093 394664300 /nfs/dbraw/zinc/66/43/00/394664300.db2.gz DBVHFUDQDRCOKG-ZDUSSCGKSA-N 1 0 262.397 2.345 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H]2CCOC2)c1 ZINC000093840295 394669541 /nfs/dbraw/zinc/66/95/41/394669541.db2.gz GZHVBEFBSYBSTM-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000269057617 394710092 /nfs/dbraw/zinc/71/00/92/394710092.db2.gz WYMMUZPULDSVRQ-GHMZBOCLSA-N 1 0 254.349 2.405 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1O ZINC000361991777 394840606 /nfs/dbraw/zinc/84/06/06/394840606.db2.gz PQHASEMUANLNGA-OAHLLOKOSA-N 1 0 283.375 2.446 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CSCCS2)c1O ZINC000125227395 394842499 /nfs/dbraw/zinc/84/24/99/394842499.db2.gz MDFNAFPLUJAHDN-LLVKDONJSA-N 1 0 285.434 2.339 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1OC ZINC000362240325 394849672 /nfs/dbraw/zinc/84/96/72/394849672.db2.gz VEDDMMDRWNNPNZ-BLLLJJGKSA-N 1 0 293.363 2.067 20 10 CECDRO CC[N@H+](Cc1cc(Cl)cc(C)c1O)[C@@H]1CCNC1=O ZINC000281844074 394861240 /nfs/dbraw/zinc/86/12/40/394861240.db2.gz TXRRRDHIPZYTDA-GFCCVEGCSA-N 1 0 282.771 2.064 20 10 CECDRO Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2O)c1 ZINC000134227821 394957186 /nfs/dbraw/zinc/95/71/86/394957186.db2.gz ULHQEXISGQXJJU-OAHLLOKOSA-N 1 0 287.359 2.230 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)[C@H]2CCOC2)c1O ZINC000135213519 394963480 /nfs/dbraw/zinc/96/34/80/394963480.db2.gz MFLDAFWLCXNSQP-YPMHNXCESA-N 1 0 265.353 2.306 20 10 CECDRO O[C@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000288528432 395062365 /nfs/dbraw/zinc/06/23/65/395062365.db2.gz JYASRZLQXVCRQN-YJBOKZPZSA-N 1 0 297.354 2.206 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2Cn2ccnn2)cc1 ZINC000373918981 395068237 /nfs/dbraw/zinc/06/82/37/395068237.db2.gz TYMAUFYXMFLILW-QGZVFWFLSA-N 1 0 299.422 2.399 20 10 CECDRO CCOC(=O)N1CCC([NH2+]Cc2cccc(C)c2O)CC1 ZINC000158095658 395037702 /nfs/dbraw/zinc/03/77/02/395037702.db2.gz DQTDTKIGGNESNT-UHFFFAOYSA-N 1 0 292.379 2.411 20 10 CECDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C ZINC000177900588 395158532 /nfs/dbraw/zinc/15/85/32/395158532.db2.gz FRBRFIUXISJAAR-ZIAGYGMSSA-N 1 0 289.423 2.099 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000177874428 395158137 /nfs/dbraw/zinc/15/81/37/395158137.db2.gz XQXTVNCGSRXIQD-HOTGVXAUSA-N 1 0 289.423 2.462 20 10 CECDRO Cc1cc(C[NH+]2CCC(CO)CC2)ccc1N(C)C ZINC000293362594 395231297 /nfs/dbraw/zinc/23/12/97/395231297.db2.gz FDSMGNWGACKPOR-UHFFFAOYSA-N 1 0 262.397 2.265 20 10 CECDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000182211152 395237037 /nfs/dbraw/zinc/23/70/37/395237037.db2.gz TXJUGXQBSNDNRX-CQSZACIVSA-N 1 0 287.787 2.231 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000182346034 395240624 /nfs/dbraw/zinc/24/06/24/395240624.db2.gz KYDMPVGVCOTKHC-GFCCVEGCSA-N 1 0 292.379 2.064 20 10 CECDRO CC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H](C)CO ZINC000293556656 395240696 /nfs/dbraw/zinc/24/06/96/395240696.db2.gz FPUULRVCQTVSJY-VIFPVBQESA-N 1 0 273.760 2.257 20 10 CECDRO Oc1ccccc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000179552464 395195709 /nfs/dbraw/zinc/19/57/09/395195709.db2.gz XHZKKSTUEYKGIR-UHFFFAOYSA-N 1 0 284.359 2.420 20 10 CECDRO COCCOCCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000020192278 171058047 /nfs/dbraw/zinc/05/80/47/171058047.db2.gz DWAXDNZPTDWLGM-GFCCVEGCSA-N 1 0 283.368 2.105 20 10 CECDRO Cc1cccc(N(C)C(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)c1 ZINC000662467262 415853625 /nfs/dbraw/zinc/85/36/25/415853625.db2.gz BYNKTDOBBSVIRX-LBPRGKRZSA-N 1 0 284.363 2.072 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000151989857 261057842 /nfs/dbraw/zinc/05/78/42/261057842.db2.gz ICOHEOSWTODZBO-QWHCGFSZSA-N 1 0 296.386 2.084 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCOC3(CCC3)C2)c1O ZINC000154210116 261089298 /nfs/dbraw/zinc/08/92/98/261089298.db2.gz GOKHSASNRHTOQR-UHFFFAOYSA-N 1 0 293.338 2.489 20 10 CECDRO C[C@H]([NH2+]CCOCCO)c1ccc(N2CCCCC2)cc1 ZINC000159172298 261180040 /nfs/dbraw/zinc/18/00/40/261180040.db2.gz TVYGNZQSZPYGEO-HNNXBMFYSA-N 1 0 292.423 2.336 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)Cn1cncn1)c1ccc(N(C)C)cc1 ZINC000164174663 261342806 /nfs/dbraw/zinc/34/28/06/261342806.db2.gz FRSFEBDFPDWQQE-CZUORRHYSA-N 1 0 287.411 2.474 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000367437328 262028105 /nfs/dbraw/zinc/02/81/05/262028105.db2.gz INHNPHHGCOZIJU-PZSREKOKSA-N 1 0 288.391 2.408 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000186088328 262079028 /nfs/dbraw/zinc/07/90/28/262079028.db2.gz DJRSHICQWRIMAP-VXGBXAGGSA-N 1 0 274.364 2.115 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000186089050 262079305 /nfs/dbraw/zinc/07/93/05/262079305.db2.gz UEPULYAPHJGNFC-RYUDHWBXSA-N 1 0 274.364 2.115 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)C(=O)NC)cc1 ZINC000120335450 262193749 /nfs/dbraw/zinc/19/37/49/262193749.db2.gz OULWSOKKDUKDJM-UHFFFAOYSA-N 1 0 291.439 2.395 20 10 CECDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185467068 262305083 /nfs/dbraw/zinc/30/50/83/262305083.db2.gz RMQAWVNUUXPQNI-IUODEOHRSA-N 1 0 267.369 2.139 20 10 CECDRO COc1cccc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000289727594 263111675 /nfs/dbraw/zinc/11/16/75/263111675.db2.gz HPEIWSOYMUHCJM-HIFRSBDPSA-N 1 0 290.407 2.459 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)CN(C)C)c1O ZINC000289747475 263111744 /nfs/dbraw/zinc/11/17/44/263111744.db2.gz IXYBAMXOKHHGOB-JTQLQIEISA-N 1 0 256.777 2.394 20 10 CECDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000290447298 263116817 /nfs/dbraw/zinc/11/68/17/263116817.db2.gz MDLVDIYCGNXUMM-INIZCTEOSA-N 1 0 293.363 2.248 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1cc(F)ccc1O ZINC000367439292 267090358 /nfs/dbraw/zinc/09/03/58/267090358.db2.gz SUJSMJIWSNDOLB-UOWOHEGISA-N 1 0 292.354 2.239 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCN3CCC2CC3)cc1C ZINC000368042827 267140930 /nfs/dbraw/zinc/14/09/30/267140930.db2.gz OLWGJUDMJGYJEW-UHFFFAOYSA-N 1 0 260.381 2.289 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCCOC3)OCO2 ZINC000368497153 267177306 /nfs/dbraw/zinc/17/73/06/267177306.db2.gz WAEBMVSZOYLFNU-MRXNPFEDSA-N 1 0 291.347 2.123 20 10 CECDRO CN(Cc1ccccc1O)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000368745263 267202123 /nfs/dbraw/zinc/20/21/23/267202123.db2.gz BWATZRWDKBHPMY-CYBMUJFWSA-N 1 0 276.380 2.130 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]3COC[C@H]32)cc1OC ZINC000369215898 267226126 /nfs/dbraw/zinc/22/61/26/267226126.db2.gz RSJBJCKAXSJJEU-WCQYABFASA-N 1 0 293.363 2.020 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCOC[C@]12CCOC2 ZINC000370736812 267343043 /nfs/dbraw/zinc/34/30/43/267343043.db2.gz HCJLVHMEJJYBNH-GOEBONIOSA-N 1 0 277.364 2.335 20 10 CECDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296436045 278539262 /nfs/dbraw/zinc/53/92/62/278539262.db2.gz MITBVVJTRXGBIJ-GZBFAFLISA-N 1 0 293.407 2.127 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCC(=O)N2CCCCC2)c1 ZINC000113324034 327786145 /nfs/dbraw/zinc/78/61/45/327786145.db2.gz SVFFLBOPMBBVGN-UHFFFAOYSA-N 1 0 276.380 2.193 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000279675436 328233249 /nfs/dbraw/zinc/23/32/49/328233249.db2.gz IIAVRRUCGCUZOK-OAHLLOKOSA-N 1 0 262.397 2.393 20 10 CECDRO CC[C@H]([NH2+]CCC1(O)CCOCC1)c1ccccc1O ZINC000287308371 328250692 /nfs/dbraw/zinc/25/06/92/328250692.db2.gz DWIWNAICPGEOSX-AWEZNQCLSA-N 1 0 279.380 2.365 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)CC(C)(C)O)c1 ZINC000295138052 327609043 /nfs/dbraw/zinc/60/90/43/327609043.db2.gz ZBSIGHAPTSRBBK-JTQLQIEISA-N 1 0 253.342 2.040 20 10 CECDRO Oc1cccc(Cl)c1CN1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000377709675 329026244 /nfs/dbraw/zinc/02/62/44/329026244.db2.gz ZGDGDKWTMBQIAX-HIFRSBDPSA-N 1 0 297.782 2.425 20 10 CECDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc(F)ccc3O)C[C@@H]21 ZINC000378493530 329053000 /nfs/dbraw/zinc/05/30/00/329053000.db2.gz IKTORLKYUDAGKQ-FZMZJTMJSA-N 1 0 264.344 2.057 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCCn2cccn2)c1O ZINC000228670752 329059044 /nfs/dbraw/zinc/05/90/44/329059044.db2.gz CMIHPYNRADCJQU-UHFFFAOYSA-N 1 0 295.770 2.431 20 10 CECDRO Oc1ccc(F)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000180168976 329218199 /nfs/dbraw/zinc/21/81/99/329218199.db2.gz WFQUMSLNMJGFTI-YWXMQNBFSA-N 1 0 265.328 2.124 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@@H]3CCCCN3C[C@@H]2C)c1O ZINC000217909906 333125108 /nfs/dbraw/zinc/12/51/08/333125108.db2.gz LFMNLXZSBQRTPV-ZFWWWQNUSA-N 1 0 290.407 2.459 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H](O)c2ccsc2)c1 ZINC000224858740 333226684 /nfs/dbraw/zinc/22/66/84/333226684.db2.gz MFMNRSGEMFCTTK-AWEZNQCLSA-N 1 0 279.361 2.286 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CC[C@H](OC)C2)c(O)c1 ZINC000233250864 333350502 /nfs/dbraw/zinc/35/05/02/333350502.db2.gz ASPZFZFUHZSSLB-AWEZNQCLSA-N 1 0 265.353 2.402 20 10 CECDRO CO[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1OC ZINC000234840030 333362588 /nfs/dbraw/zinc/36/25/88/333362588.db2.gz SGBMMSJILMZXCB-CALCHBBNSA-N 1 0 287.359 2.391 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1COCCN1)c1ccc2ccccc2c1O ZINC000530221800 333528652 /nfs/dbraw/zinc/52/86/52/333528652.db2.gz DJTSRTULJGBMSG-OCCSQVGLSA-N 1 0 286.375 2.184 20 10 CECDRO COc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000133950655 334074927 /nfs/dbraw/zinc/07/49/27/334074927.db2.gz UQZRGRJFLJWQKQ-CQSZACIVSA-N 1 0 276.380 2.071 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)NC(C)(C)C ZINC000067502448 518178230 /nfs/dbraw/zinc/17/82/30/518178230.db2.gz RGUFTYXLPPPZIH-LLVKDONJSA-N 1 0 276.380 2.014 20 10 CECDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccccc2O)C1 ZINC000280939315 519553157 /nfs/dbraw/zinc/55/31/57/519553157.db2.gz IQTDKULOWHSPQL-TZMCWYRMSA-N 1 0 276.380 2.301 20 10 CECDRO CC(C)[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+](C)C ZINC000129675920 519788732 /nfs/dbraw/zinc/78/87/32/519788732.db2.gz YKSYHIODDPQBHB-INIZCTEOSA-N 1 0 291.439 2.297 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000274748899 520175715 /nfs/dbraw/zinc/17/57/15/520175715.db2.gz AENPNYDHHVXFAH-GFCCVEGCSA-N 1 0 264.369 2.138 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)F)cc1 ZINC000280759208 520285470 /nfs/dbraw/zinc/28/54/70/520285470.db2.gz FICHIBYKWKDWAI-LLVKDONJSA-N 1 0 299.365 2.175 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2COC[C@@H]2OC)cc1 ZINC000290311680 520286916 /nfs/dbraw/zinc/28/69/16/520286916.db2.gz ZVTWRWXYVSXHGR-KCXAZCMYSA-N 1 0 278.396 2.207 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CCCN(C)CC2)c(O)c1 ZINC000211488214 520348946 /nfs/dbraw/zinc/34/89/46/520348946.db2.gz VLFYNZPKBCIYIK-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO CCCC[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000248146098 520396603 /nfs/dbraw/zinc/39/66/03/520396603.db2.gz VXZYOFUKHUZFFG-UHFFFAOYSA-N 1 0 291.439 2.443 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1O ZINC000275862323 521343879 /nfs/dbraw/zinc/34/38/79/521343879.db2.gz JELGDTUHUAQCFB-CQSZACIVSA-N 1 0 279.380 2.384 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H](OCC)[C@@H]2OC)c1O ZINC000274965492 521374177 /nfs/dbraw/zinc/37/41/77/521374177.db2.gz VFQNHEVUTMQPNM-IVMMDQJWSA-N 1 0 295.379 2.073 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192026906 521689221 /nfs/dbraw/zinc/68/92/21/521689221.db2.gz DFRKFSOZBAYXEJ-NWDGAFQWSA-N 1 0 264.369 2.114 20 10 CECDRO COCC[C@H](CO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000281719269 521929949 /nfs/dbraw/zinc/92/99/49/521929949.db2.gz UMIBUXRSBGOTPD-SWLSCSKDSA-N 1 0 293.407 2.319 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](CCO)C2CCC2)c1O ZINC000275945409 522535323 /nfs/dbraw/zinc/53/53/23/522535323.db2.gz IQZBAJDGVZLTPC-UHFFFAOYSA-N 1 0 285.771 2.401 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCN(CCOC)C1)c1ccccc1O ZINC000274931800 522717647 /nfs/dbraw/zinc/71/76/47/522717647.db2.gz RAHCNESVELSBJS-HIFRSBDPSA-N 1 0 278.396 2.154 20 10 CECDRO COCCC[N@H+](CCOC)Cc1cc(C)c(C)cc1O ZINC000068963700 523256263 /nfs/dbraw/zinc/25/62/63/523256263.db2.gz IRXOFIMVWSECOG-UHFFFAOYSA-N 1 0 281.396 2.494 20 10 CECDRO COc1ccc(C[NH2+]CCC(=O)NC(C)C)cc1C ZINC000042225399 524069713 /nfs/dbraw/zinc/06/97/13/524069713.db2.gz FXBCPOJWCBNIIW-UHFFFAOYSA-N 1 0 264.369 2.008 20 10 CECDRO COc1ccc(C[NH2+]CCCC(=O)NC2CC2)cc1C ZINC000112346385 524069817 /nfs/dbraw/zinc/06/98/17/524069817.db2.gz IPSDRYSPHCGGNW-UHFFFAOYSA-N 1 0 276.380 2.152 20 10 CECDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1c(O)cccc1Cl ZINC000083552029 524325345 /nfs/dbraw/zinc/32/53/45/524325345.db2.gz PIWDASFPYXCWBL-SNVBAGLBSA-N 1 0 282.771 2.146 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1O ZINC000291192791 524405674 /nfs/dbraw/zinc/40/56/74/524405674.db2.gz GUUSFKLOIHIOBM-AWEZNQCLSA-N 1 0 257.337 2.344 20 10 CECDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)c(=O)n1C ZINC000279513640 524590674 /nfs/dbraw/zinc/59/06/74/524590674.db2.gz NTQARQARFLSHBD-NSHDSACASA-N 1 0 290.338 2.389 20 10 CECDRO Cc1cc(C[N@H+](C)Cc2cnn(C)c2)ccc1N(C)C ZINC000293514880 524665333 /nfs/dbraw/zinc/66/53/33/524665333.db2.gz ONPIQMRKKNYLGJ-UHFFFAOYSA-N 1 0 272.396 2.427 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@@H](O)CC2)ccc1N(C)C ZINC000293021095 524686362 /nfs/dbraw/zinc/68/63/62/524686362.db2.gz FMMUASRSLWVBKF-OAHLLOKOSA-N 1 0 262.397 2.408 20 10 CECDRO COc1ncccc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000289415195 525044568 /nfs/dbraw/zinc/04/45/68/525044568.db2.gz AQCBXJAAQJZFRY-UHFFFAOYSA-N 1 0 284.359 2.357 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2cnn(C)c2)cc1C ZINC000266173784 525324041 /nfs/dbraw/zinc/32/40/41/525324041.db2.gz DGYSOLFLANHXQP-UHFFFAOYSA-N 1 0 259.353 2.075 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000290527306 525342229 /nfs/dbraw/zinc/34/22/29/525342229.db2.gz QJKHOFIXOVQCOG-CQSZACIVSA-N 1 0 288.391 2.145 20 10 CECDRO C[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000037232286 525437147 /nfs/dbraw/zinc/43/71/47/525437147.db2.gz SJXVGDAXGOSESG-OAHLLOKOSA-N 1 0 291.439 2.126 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncnn2C)c(O)c1 ZINC000276696571 525748160 /nfs/dbraw/zinc/74/81/60/525748160.db2.gz VJSYLONPISXSBX-GHMZBOCLSA-N 1 0 260.341 2.241 20 10 CECDRO C[C@@H](O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268877612 525771373 /nfs/dbraw/zinc/77/13/73/525771373.db2.gz KTNWCLICJFPSPF-CHWSQXEVSA-N 1 0 296.386 2.084 20 10 CECDRO COc1cccc(C[NH2+]Cc2cnc(C)s2)c1O ZINC000040997388 526025669 /nfs/dbraw/zinc/02/56/69/526025669.db2.gz VEZRWQHZKKBRRL-UHFFFAOYSA-N 1 0 264.350 2.456 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)c2nnc3ccccn32)c1O ZINC000237408359 526031085 /nfs/dbraw/zinc/03/10/85/526031085.db2.gz MAUGGFQVKOSSEN-NSHDSACASA-N 1 0 298.346 2.294 20 10 CECDRO Cc1nnc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)s1 ZINC000289896202 526329376 /nfs/dbraw/zinc/32/93/76/526329376.db2.gz QSMALZZJOFBSIA-UHFFFAOYSA-N 1 0 294.399 2.384 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291166877 526349667 /nfs/dbraw/zinc/34/96/67/526349667.db2.gz DCNYKDJAUBWRFZ-CYBMUJFWSA-N 1 0 261.300 2.175 20 10 CECDRO OC[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000063218890 527608403 /nfs/dbraw/zinc/60/84/03/527608403.db2.gz ASHVQJGFCRPIAP-KRWDZBQOSA-N 1 0 283.371 2.315 20 10 CECDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000289598831 527608892 /nfs/dbraw/zinc/60/88/92/527608892.db2.gz NOQWAYROHCHYTJ-HNNXBMFYSA-N 1 0 261.365 2.262 20 10 CECDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000748243359 574438045 /nfs/dbraw/zinc/43/80/45/574438045.db2.gz YWFJYMCOLDVKTF-INIZCTEOSA-N 1 0 277.364 2.443 20 10 CECDRO CO[C@@H](C)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727471116 574452267 /nfs/dbraw/zinc/45/22/67/574452267.db2.gz YAFLYEUBNFCBHX-ZDUSSCGKSA-N 1 0 296.386 2.177 20 10 CECDRO CCC[N@H+](C)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000730098923 574501714 /nfs/dbraw/zinc/50/17/14/574501714.db2.gz SGZWVQHJNDIIGA-UHFFFAOYSA-N 1 0 289.423 2.027 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C2COC(C)(C)OC2)c1 ZINC000758009865 574514485 /nfs/dbraw/zinc/51/44/85/574514485.db2.gz BOBAOPQASNUXMI-UHFFFAOYSA-N 1 0 281.352 2.032 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H](OC)C(F)(F)F ZINC000733330225 574665049 /nfs/dbraw/zinc/66/50/49/574665049.db2.gz SVTVGKNLSVJGGK-LLVKDONJSA-N 1 0 279.258 2.068 20 10 CECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](N2CC=CC2)C1 ZINC000742162979 575007853 /nfs/dbraw/zinc/00/78/53/575007853.db2.gz LLCUTDDZPCOCQH-OAHLLOKOSA-N 1 0 295.386 2.387 20 10 CECDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000742724489 575031383 /nfs/dbraw/zinc/03/13/83/575031383.db2.gz SBFIBSJNQBWZTO-ZDUSSCGKSA-N 1 0 270.380 2.263 20 10 CECDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000743474199 575104999 /nfs/dbraw/zinc/10/49/99/575104999.db2.gz RJTCWQMLXODVLG-ZIAGYGMSSA-N 1 0 278.396 2.209 20 10 CECDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000743499718 575105652 /nfs/dbraw/zinc/10/56/52/575105652.db2.gz PVTZIAQXPLAPAF-CMPLNLGQSA-N 1 0 281.352 2.008 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CN1CCCC1 ZINC000743869827 575111709 /nfs/dbraw/zinc/11/17/09/575111709.db2.gz BRROQKFUYWNFOL-MRXNPFEDSA-N 1 0 292.423 2.061 20 10 CECDRO CCOc1ccc(C[NH2+]CCN2CC[C@H](C)C2)c(O)c1 ZINC000744450043 575121557 /nfs/dbraw/zinc/12/15/57/575121557.db2.gz JPICRHACBLDCMR-ZDUSSCGKSA-N 1 0 278.396 2.222 20 10 CECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC(=O)CS1 ZINC000751392378 575287994 /nfs/dbraw/zinc/28/79/94/575287994.db2.gz XFWWQVSRIWFFSF-JTQLQIEISA-N 1 0 268.382 2.058 20 10 CECDRO COc1cc(C[N@H+](C)C[C@@H]2CCCO2)c(O)cc1C ZINC000160228361 622574146 /nfs/dbraw/zinc/57/41/46/622574146.db2.gz ALVUHSKPPPGBIC-ZDUSSCGKSA-N 1 0 265.353 2.320 20 10 CECDRO CN1CCCc2cc(C[NH2+]Cc3cn[nH]c3)ccc21 ZINC000050286729 623385862 /nfs/dbraw/zinc/38/58/62/623385862.db2.gz VQUKSNYEICCPLX-UHFFFAOYSA-N 1 0 256.353 2.082 20 10 CECDRO CC1(C)C[NH2+]CCN1Cc1cc(Cl)ccc1O ZINC000088138004 623967998 /nfs/dbraw/zinc/96/79/98/623967998.db2.gz ULDVGIGFJRWXHK-UHFFFAOYSA-N 1 0 254.761 2.229 20 10 CECDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccccc1O ZINC000892275719 624592291 /nfs/dbraw/zinc/59/22/91/624592291.db2.gz ZVAGYTAYEOHSKM-FZMZJTMJSA-N 1 0 289.379 2.037 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN(C)C2CC[NH2+]CC2)c1O ZINC000050158760 624603222 /nfs/dbraw/zinc/60/32/22/624603222.db2.gz HOFMSMSEIIVRKU-UHFFFAOYSA-N 1 0 296.798 2.432 20 10 CECDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000235159163 624931681 /nfs/dbraw/zinc/93/16/81/624931681.db2.gz LASYZQPRNFXXOK-NSHDSACASA-N 1 0 280.368 2.395 20 10 CECDRO Cn1cnnc1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000725847133 625776623 /nfs/dbraw/zinc/77/66/23/625776623.db2.gz DTCXXUBNBAPHBK-UHFFFAOYSA-N 1 0 294.358 2.478 20 10 CECDRO CON(C)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000850479806 627286718 /nfs/dbraw/zinc/28/67/18/627286718.db2.gz ZSLVYJLBQLQAQD-SECBINFHSA-N 1 0 258.749 2.189 20 10 CECDRO COc1cccc(C[NH2+]Cc2oc(C)nc2C)c1O ZINC000311728455 627697509 /nfs/dbraw/zinc/69/75/09/627697509.db2.gz CGKKGLZSWNJLLK-UHFFFAOYSA-N 1 0 262.309 2.295 20 10 CECDRO COc1ccc(C[NH2+]CC(C)(C)C[C@@H](C)O)c(O)c1OC ZINC000893018743 627947689 /nfs/dbraw/zinc/94/76/89/627947689.db2.gz HPNVAKVTSTZJMN-LLVKDONJSA-N 1 0 297.395 2.296 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c(O)c1OC ZINC000893219443 628147966 /nfs/dbraw/zinc/14/79/66/628147966.db2.gz GYFPUSPFDZIJEW-JQWIXIFHSA-N 1 0 281.352 2.067 20 10 CECDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(F)ccc1O ZINC000310981737 628342196 /nfs/dbraw/zinc/34/21/96/628342196.db2.gz RDOYJVOZTCVHEH-OTYXRUKQSA-N 1 0 253.317 2.343 20 10 CECDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cc(F)ccc1O ZINC000219584592 628812534 /nfs/dbraw/zinc/81/25/34/628812534.db2.gz RLKMCHHWBWCVIU-GWCFXTLKSA-N 1 0 252.333 2.233 20 10 CECDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)COCCOC ZINC000894045642 629101677 /nfs/dbraw/zinc/10/16/77/629101677.db2.gz HYPTXVNHHGCTRV-CQSZACIVSA-N 1 0 280.412 2.413 20 10 CECDRO Cc1ncoc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000894199725 629203082 /nfs/dbraw/zinc/20/30/82/629203082.db2.gz DMTLFNVSNFBYOT-UHFFFAOYSA-N 1 0 287.363 2.109 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@](C)(O)C(C)C)c1O ZINC000894266289 629282090 /nfs/dbraw/zinc/28/20/90/629282090.db2.gz LEIHNYVPSPGLSR-HNNXBMFYSA-N 1 0 267.369 2.206 20 10 CECDRO CCOC[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894497458 629492179 /nfs/dbraw/zinc/49/21/79/629492179.db2.gz LUJIWBCOCFMABI-NSHDSACASA-N 1 0 253.342 2.224 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](CO)C(C)(C)C)c1O ZINC000894573662 629539636 /nfs/dbraw/zinc/53/96/36/629539636.db2.gz UYHPYUJJQCCLLE-ZDUSSCGKSA-N 1 0 267.369 2.206 20 10 CECDRO COc1ccc(C[NH+]2CC3(CC(F)C3)C2)c(O)c1OC ZINC000894831143 629670497 /nfs/dbraw/zinc/67/04/97/629670497.db2.gz ZQEGKNJFGMXEKV-UHFFFAOYSA-N 1 0 281.327 2.343 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000894861503 629700154 /nfs/dbraw/zinc/70/01/54/629700154.db2.gz JJHVTWBPCQUIIA-KGLIPLIRSA-N 1 0 274.408 2.488 20 10 CECDRO COc1cc(O)c(C[N@@H+](C)[C@H]2CC[C@H]2OC)cc1OC ZINC000902639811 634757713 /nfs/dbraw/zinc/75/77/13/634757713.db2.gz XXULVLRRUZQNFQ-WCQYABFASA-N 1 0 281.352 2.019 20 10 CECDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000067382637 629837668 /nfs/dbraw/zinc/83/76/68/629837668.db2.gz MZLZQJGBBDMULN-HNNXBMFYSA-N 1 0 290.407 2.357 20 10 CECDRO CC[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)C(=O)OC ZINC000895121419 629924912 /nfs/dbraw/zinc/92/49/12/629924912.db2.gz QGIFJACYGWBRHE-ZDUSSCGKSA-N 1 0 264.369 2.041 20 10 CECDRO COc1ccc(C[NH2+]CCC2(CO)CCC2)c(O)c1OC ZINC000895180359 630012569 /nfs/dbraw/zinc/01/25/69/630012569.db2.gz NSEGMNATROSICO-UHFFFAOYSA-N 1 0 295.379 2.052 20 10 CECDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000895252051 630061851 /nfs/dbraw/zinc/06/18/51/630061851.db2.gz TYCYUKKXQHAXJQ-JOCQHMNTSA-N 1 0 265.353 2.366 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1O ZINC000895261591 630067150 /nfs/dbraw/zinc/06/71/50/630067150.db2.gz VTOYPENVGKRVCG-QGZVFWFLSA-N 1 0 291.391 2.446 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCC2(O)CCOCC2)c(O)c1 ZINC000797031875 630109726 /nfs/dbraw/zinc/10/97/26/630109726.db2.gz LBVDMVZJBDLASS-ZDUSSCGKSA-N 1 0 279.380 2.283 20 10 CECDRO CCCN1CC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000895326820 630113207 /nfs/dbraw/zinc/11/32/07/630113207.db2.gz HGKIPAUYLYPQBE-CQSZACIVSA-N 1 0 278.396 2.283 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)c(O)c1OC ZINC000895376080 630148015 /nfs/dbraw/zinc/14/80/15/630148015.db2.gz CUHBIZYIOWENJJ-AAEUAGOBSA-N 1 0 295.379 2.457 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1O ZINC000895445709 630194744 /nfs/dbraw/zinc/19/47/44/630194744.db2.gz VVFGARGLGGIPIC-UFBFGSQYSA-N 1 0 293.285 2.111 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C)C(C)(C)C2)c1 ZINC000895565335 630257576 /nfs/dbraw/zinc/25/75/76/630257576.db2.gz YNNSWPICDHPJSN-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO O[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000895649703 630283930 /nfs/dbraw/zinc/28/39/30/630283930.db2.gz SRSFQYONMGLLTL-NVXWUHKLSA-N 1 0 272.392 2.244 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000895749924 630328881 /nfs/dbraw/zinc/32/88/81/630328881.db2.gz VMQBBVJJLKHRQU-AWEZNQCLSA-N 1 0 293.313 2.364 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)C[C@@H]2CCCO2)cc1Cl ZINC000895750195 630329017 /nfs/dbraw/zinc/32/90/17/630329017.db2.gz XXDXXFZQFZSNLU-STQMWFEESA-N 1 0 299.798 2.374 20 10 CECDRO COc1ccc(CN2CC(OC(C)(C)C)C2)c(O)c1OC ZINC000895871480 630380495 /nfs/dbraw/zinc/38/04/95/630380495.db2.gz XGFSEHCTPTWPHE-UHFFFAOYSA-N 1 0 295.379 2.409 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000896125353 630474180 /nfs/dbraw/zinc/47/41/80/630474180.db2.gz QYBBGUUHLWSGTH-NEPJUHHUSA-N 1 0 263.337 2.132 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@]2(OC)CCSC2)c1O ZINC000896566126 630599906 /nfs/dbraw/zinc/59/99/06/630599906.db2.gz ACOIDPIXAKMDHH-HNNXBMFYSA-N 1 0 297.420 2.321 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCO[C@H](C)CC1 ZINC000896586196 630605121 /nfs/dbraw/zinc/60/51/21/630605121.db2.gz XEFYOSZBPCQRFL-LLVKDONJSA-N 1 0 251.326 2.012 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2COC[C@@H]2C)cc1Cl ZINC000896732569 630651767 /nfs/dbraw/zinc/65/17/67/630651767.db2.gz IMRUGQXHSQUVCA-CABZTGNLSA-N 1 0 255.745 2.479 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2COCC2(C)C)c(O)c1 ZINC000825090906 635564795 /nfs/dbraw/zinc/56/47/95/635564795.db2.gz MQZHOMYFVMXVRB-CQSZACIVSA-N 1 0 265.353 2.306 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cncc(O)c1 ZINC000897316300 631097517 /nfs/dbraw/zinc/09/75/17/631097517.db2.gz YKLJFHNABZLEFC-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1F ZINC000862442190 631340609 /nfs/dbraw/zinc/34/06/09/631340609.db2.gz BEJLXCVUPJNENU-AOOOYVTPSA-N 1 0 252.308 2.483 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000802660782 631442483 /nfs/dbraw/zinc/44/24/83/631442483.db2.gz WGXCVVNVGKLYDQ-INIZCTEOSA-N 1 0 280.387 2.439 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000802659279 631442612 /nfs/dbraw/zinc/44/26/12/631442612.db2.gz ZLWDYYUQUHYKJP-JTQLQIEISA-N 1 0 261.243 2.345 20 10 CECDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H]1C)c1ccccc1O ZINC000897518235 631612208 /nfs/dbraw/zinc/61/22/08/631612208.db2.gz HVINPPGMCYLDJC-QWHCGFSZSA-N 1 0 291.395 2.237 20 10 CECDRO C[C@]1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCNC1=O ZINC000897870973 631953321 /nfs/dbraw/zinc/95/33/21/631953321.db2.gz DGVRUXFDMAUDJR-SFHVURJKSA-N 1 0 296.370 2.427 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)cc1C ZINC000808431380 631962505 /nfs/dbraw/zinc/96/25/05/631962505.db2.gz RYAZJXGEKWIFPW-INIZCTEOSA-N 1 0 286.375 2.264 20 10 CECDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccccc3O)[C@@H]2C1 ZINC000808445185 631964482 /nfs/dbraw/zinc/96/44/82/631964482.db2.gz AIIWYUARLCKPMM-XHSDSOJGSA-N 1 0 288.391 2.129 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1C[C@@H]3CCC[C@@H]13)OCO2 ZINC000897952648 631988705 /nfs/dbraw/zinc/98/87/05/631988705.db2.gz IASXJZPRAACWOX-MVWJERBFSA-N 1 0 261.321 2.399 20 10 CECDRO CCC[NH2+]CCNC/C=C/c1ccc(N(C)C)cc1 ZINC000841046640 632349784 /nfs/dbraw/zinc/34/97/84/632349784.db2.gz KEUSRVDXPYCRQW-AATRIKPKSA-N 1 0 261.413 2.355 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCOC2CCOCC2)c1O ZINC000927076638 632447082 /nfs/dbraw/zinc/44/70/82/632447082.db2.gz KTOCDGHAYNNSLF-GFCCVEGCSA-N 1 0 295.379 2.247 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCO[C@@H]2CCOC2)c(O)c1 ZINC000927079115 632447815 /nfs/dbraw/zinc/44/78/15/632447815.db2.gz DMCMBUJNOGEORA-QWHCGFSZSA-N 1 0 265.353 2.157 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCO[C@H]2CCOC2)c(O)c1 ZINC000927079114 632448302 /nfs/dbraw/zinc/44/83/02/632448302.db2.gz DMCMBUJNOGEORA-OLZOCXBDSA-N 1 0 265.353 2.157 20 10 CECDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCCOC2)N(C)C)cc1 ZINC000898449705 632498814 /nfs/dbraw/zinc/49/88/14/632498814.db2.gz JJFVQNCWQPKDFW-WBVHZDCISA-N 1 0 291.439 2.124 20 10 CECDRO CN(C)c1ccc([C@@H](C[NH2+]C2CSC2)N(C)C)cc1 ZINC000898449937 632499372 /nfs/dbraw/zinc/49/93/72/632499372.db2.gz LXIBYIBTXADAIM-OAHLLOKOSA-N 1 0 279.453 2.060 20 10 CECDRO CCc1cccc(C[N@@H+]2CCCNC(=O)[C@H]2CC)c1O ZINC000898547953 632534058 /nfs/dbraw/zinc/53/40/58/632534058.db2.gz NTPVUOKVDKRRFJ-CQSZACIVSA-N 1 0 276.380 2.055 20 10 CECDRO COC(=O)[C@H](C[NH2+]Cc1cccc(OC)c1O)CC(C)C ZINC000813331448 632669804 /nfs/dbraw/zinc/66/98/04/632669804.db2.gz JCAJBCNACODVFN-ZDUSSCGKSA-N 1 0 295.379 2.326 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1F ZINC000814173538 632798628 /nfs/dbraw/zinc/79/86/28/632798628.db2.gz MRFYJYZRANIRLK-BBRMVZONSA-N 1 0 277.387 2.028 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cnn(CC(F)F)c2)c1 ZINC000814291240 632822031 /nfs/dbraw/zinc/82/20/31/632822031.db2.gz FSDYICYJXHWDPI-UHFFFAOYSA-N 1 0 297.305 2.152 20 10 CECDRO Cc1cc(C[N@H+](C)CC(=O)NC(C)(C)C)ccc1N(C)C ZINC000815012996 632949462 /nfs/dbraw/zinc/94/94/62/632949462.db2.gz OZUKEKVGRKXBCD-UHFFFAOYSA-N 1 0 291.439 2.408 20 10 CECDRO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2C(N)=O)ccc1N(C)C ZINC000815089359 632957310 /nfs/dbraw/zinc/95/73/10/632957310.db2.gz DARCBXKLVLQAAC-CABCVRRESA-N 1 0 289.423 2.195 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@@]2(C)CO)ccc1N(C)C ZINC000815093032 632957347 /nfs/dbraw/zinc/95/73/47/632957347.db2.gz ZTBQAWFDQRBNHQ-INIZCTEOSA-N 1 0 262.397 2.408 20 10 CECDRO COCC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CCOC1 ZINC000815104332 632960758 /nfs/dbraw/zinc/96/07/58/632960758.db2.gz IDUVJEHEXDAZPJ-INIZCTEOSA-N 1 0 292.423 2.298 20 10 CECDRO Cc1nccnc1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000815155056 632973914 /nfs/dbraw/zinc/97/39/14/632973914.db2.gz VRZJFEMMLHBOCN-UHFFFAOYSA-N 1 0 277.755 2.476 20 10 CECDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816597407 633418955 /nfs/dbraw/zinc/41/89/55/633418955.db2.gz QOBNTQLZDWPJMR-KRWDZBQOSA-N 1 0 284.359 2.243 20 10 CECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cccc(C)c1O ZINC000816626148 633452610 /nfs/dbraw/zinc/45/26/10/633452610.db2.gz WYODGWBKTDZKCJ-CYBMUJFWSA-N 1 0 278.396 2.343 20 10 CECDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000817413328 633652251 /nfs/dbraw/zinc/65/22/51/633652251.db2.gz WKPKYSJEJLZCIT-MNOVXSKESA-N 1 0 269.772 2.496 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000817415183 633653856 /nfs/dbraw/zinc/65/38/56/633653856.db2.gz UBMNAFCUIFYCGH-AAEUAGOBSA-N 1 0 265.353 2.136 20 10 CECDRO CC[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(C)cc1O ZINC000817584972 633701418 /nfs/dbraw/zinc/70/14/18/633701418.db2.gz BSTNKXQHABSDQR-CYBMUJFWSA-N 1 0 276.380 2.397 20 10 CECDRO C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817901733 633763117 /nfs/dbraw/zinc/76/31/17/633763117.db2.gz XTFCRDHAQHBQBF-FZMZJTMJSA-N 1 0 265.376 2.122 20 10 CECDRO C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817901734 633763272 /nfs/dbraw/zinc/76/32/72/633763272.db2.gz XTFCRDHAQHBQBF-RISCZKNCSA-N 1 0 265.376 2.122 20 10 CECDRO COCCC[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817943501 633790720 /nfs/dbraw/zinc/79/07/20/633790720.db2.gz URNJIFYSOSYXLT-BBRMVZONSA-N 1 0 279.428 2.157 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)[C@@H]1C ZINC000817943278 633791006 /nfs/dbraw/zinc/79/10/06/633791006.db2.gz TYDOUMUGTXORHW-BHTHQVBYSA-N 1 0 261.413 2.387 20 10 CECDRO Cc1nccnc1[C@@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944172 633791120 /nfs/dbraw/zinc/79/11/20/633791120.db2.gz XUUGNMMEBXEZOK-CZUORRHYSA-N 1 0 299.422 2.202 20 10 CECDRO Cc1cc(Br)cc([C@H](C)N[C@@H]2CC[NH2+]C2)c1O ZINC000817944986 633792134 /nfs/dbraw/zinc/79/21/34/633792134.db2.gz QUYBGIWGOTXVMP-GXSJLCMTSA-N 1 0 299.212 2.476 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC[C@H]2CCCC[NH2+]2)c1 ZINC000817949871 633794754 /nfs/dbraw/zinc/79/47/54/633794754.db2.gz OMHAWZBAXBPGHZ-VXGBXAGGSA-N 1 0 264.369 2.194 20 10 CECDRO C[C@H](NC1C[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817955800 633799758 /nfs/dbraw/zinc/79/97/58/633799758.db2.gz IDAZGIAJQNJOJE-ZETCQYMHSA-N 1 0 260.259 2.033 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)cc1 ZINC000817976707 633819989 /nfs/dbraw/zinc/81/99/89/633819989.db2.gz RXNXEOWKHZFZCS-SNPRPXQTSA-N 1 0 279.403 2.493 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817976656 633820059 /nfs/dbraw/zinc/82/00/59/633820059.db2.gz QMZIPGNAQRSQFA-WDEREUQCSA-N 1 0 281.356 2.469 20 10 CECDRO C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817976654 633820124 /nfs/dbraw/zinc/82/01/24/633820124.db2.gz QMZIPGNAQRSQFA-MNOVXSKESA-N 1 0 281.356 2.469 20 10 CECDRO CC[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817982288 633824207 /nfs/dbraw/zinc/82/42/07/633824207.db2.gz QXLHDEFFUUCOAF-DLBZAZTESA-N 1 0 291.439 2.172 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(F)cc1[O-] ZINC000817981275 633824478 /nfs/dbraw/zinc/82/44/78/633824478.db2.gz IIAJVUFNKRPNBL-UMNHJUIQSA-N 1 0 252.333 2.309 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1CNCCO1)c1cc(Cl)ccc1O ZINC000817982892 633826399 /nfs/dbraw/zinc/82/63/99/633826399.db2.gz JHFSTQMAOKGLLS-DGCLKSJQSA-N 1 0 284.787 2.075 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(Cl)c1[O-] ZINC000817982979 633826919 /nfs/dbraw/zinc/82/69/19/633826919.db2.gz XEXHYKCQMOBKFN-SMDDNHRTSA-N 1 0 298.814 2.465 20 10 CECDRO [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000818431939 633921367 /nfs/dbraw/zinc/92/13/67/633921367.db2.gz XDOIRELNTVISIG-GHMZBOCLSA-N 1 0 299.758 2.313 20 10 CECDRO CCCCOC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818942300 634011398 /nfs/dbraw/zinc/01/13/98/634011398.db2.gz YCLHMCOQCBVDIR-INIZCTEOSA-N 1 0 280.412 2.020 20 10 CECDRO OC1(C[NH2+]Cc2ccc(N3CCSCC3)cc2)CCC1 ZINC000818964394 634019117 /nfs/dbraw/zinc/01/91/17/634019117.db2.gz UVYGCMKQNRCAFS-UHFFFAOYSA-N 1 0 292.448 2.244 20 10 CECDRO C[C@@H]([NH2+]CCCSc1nccs1)c1cn(C)nn1 ZINC000902808921 634838840 /nfs/dbraw/zinc/83/88/40/634838840.db2.gz OAMDWHZNSOYTHW-SECBINFHSA-N 1 0 283.426 2.105 20 10 CECDRO CN(C)c1ccc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1F ZINC000822520998 634936437 /nfs/dbraw/zinc/93/64/37/634936437.db2.gz VCEXHCYOCIMFDO-WMLDXEAASA-N 1 0 291.414 2.418 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCC[C@@H]3OC)C2)cc1 ZINC000903198998 635009339 /nfs/dbraw/zinc/00/93/39/635009339.db2.gz IQTFZMFSBMWCSC-JQFCIGGWSA-N 1 0 290.407 2.431 20 10 CECDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000903400232 635109722 /nfs/dbraw/zinc/10/97/22/635109722.db2.gz NJSRZTPBDVTWIP-KEYYUXOJSA-N 1 0 290.407 2.209 20 10 CECDRO Cc1cc(N(C)C)ccc1CNCc1cc(N)cc[nH+]1 ZINC000903953205 635386508 /nfs/dbraw/zinc/38/65/08/635386508.db2.gz CHJNCZZVYRNMTM-UHFFFAOYSA-N 1 0 270.380 2.328 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC[C@@](C)(O)COC)cc1 ZINC000824559397 635450743 /nfs/dbraw/zinc/45/07/43/635450743.db2.gz SDXPAEHQJJOYRW-QGZVFWFLSA-N 1 0 294.439 2.410 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1Cl ZINC000824575869 635454810 /nfs/dbraw/zinc/45/48/10/635454810.db2.gz SMTBUAYEVCWKIP-WDEREUQCSA-N 1 0 296.798 2.440 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC(C)(C)CO)cc1F ZINC000824602928 635460797 /nfs/dbraw/zinc/46/07/97/635460797.db2.gz HTULABDZHONPBR-UHFFFAOYSA-N 1 0 268.376 2.390 20 10 CECDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000824854551 635512352 /nfs/dbraw/zinc/51/23/52/635512352.db2.gz UXTIKMWVVDAVSN-OLZOCXBDSA-N 1 0 263.337 2.214 20 10 CECDRO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000904355012 635586974 /nfs/dbraw/zinc/58/69/74/635586974.db2.gz JSYYZLDTDMWJMZ-SWLSCSKDSA-N 1 0 260.381 2.099 20 10 CECDRO COCCN1CC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000825292020 635608151 /nfs/dbraw/zinc/60/81/51/635608151.db2.gz SJLYBZUJLUTSHN-ZDUSSCGKSA-N 1 0 298.814 2.164 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H](C)CO)cc1Cl ZINC000825297704 635608160 /nfs/dbraw/zinc/60/81/60/635608160.db2.gz LHFZXYACTHRGIC-ZJUUUORDSA-N 1 0 257.761 2.461 20 10 CECDRO COCCOC[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825320281 635614829 /nfs/dbraw/zinc/61/48/29/635614829.db2.gz HPOCFRBZFIBQRU-NSHDSACASA-N 1 0 287.787 2.495 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1O ZINC000904411534 635619451 /nfs/dbraw/zinc/61/94/51/635619451.db2.gz LZDJPEGEHMCJTQ-STQMWFEESA-N 1 0 278.396 2.208 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)C[NH2+]C2CC2)cc1 ZINC000826020935 635747135 /nfs/dbraw/zinc/74/71/35/635747135.db2.gz YUNVPNBTGKZCHI-UHFFFAOYSA-N 1 0 289.423 2.243 20 10 CECDRO CCN1C[C@H](C[NH2+]Cc2cc(Cl)c(C)cc2O)CC1=O ZINC000826142709 635765556 /nfs/dbraw/zinc/76/55/56/635765556.db2.gz IPRSKHVOPAKSTP-NSHDSACASA-N 1 0 296.798 2.312 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c1O ZINC000826822177 635854727 /nfs/dbraw/zinc/85/47/27/635854727.db2.gz MLFYJXGZYMEYJF-HUUCEWRRSA-N 1 0 279.380 2.096 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1 ZINC000826910385 635879622 /nfs/dbraw/zinc/87/96/22/635879622.db2.gz GHQAQUJAOXQXJC-ZGLRSVDFSA-N 1 0 297.420 2.180 20 10 CECDRO Cc1cccc(C[N@H+](CCOCCO)C2CCC2)c1O ZINC000827204309 636255258 /nfs/dbraw/zinc/25/52/58/636255258.db2.gz QUYBXPOPNMYKPL-UHFFFAOYSA-N 1 0 279.380 2.064 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000827340732 636299490 /nfs/dbraw/zinc/29/94/90/636299490.db2.gz JLHYIYDULSERFN-CYBMUJFWSA-N 1 0 299.365 2.132 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1O ZINC000827365023 636304182 /nfs/dbraw/zinc/30/41/82/636304182.db2.gz IZRLVYWALDFTEY-CHWSQXEVSA-N 1 0 297.782 2.447 20 10 CECDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000827501659 636339011 /nfs/dbraw/zinc/33/90/11/636339011.db2.gz ZYGBHIOZBCOEFU-JGZJWPJOSA-N 1 0 283.755 2.395 20 10 CECDRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000827687401 636391691 /nfs/dbraw/zinc/39/16/91/636391691.db2.gz PZCASAGFQVUIRT-AWEZNQCLSA-N 1 0 276.380 2.129 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@]1(C)CO ZINC000827699279 636396903 /nfs/dbraw/zinc/39/69/03/636396903.db2.gz GGMGMJJCNLNUQR-BLLLJJGKSA-N 1 0 280.387 2.342 20 10 CECDRO C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1O ZINC000827936776 636463483 /nfs/dbraw/zinc/46/34/83/636463483.db2.gz CMNRIJJNMKJPEM-CYBMUJFWSA-N 1 0 276.380 2.301 20 10 CECDRO C[C@@H](NC(=O)C1([NH+](C)C)CCC1)c1ccccc1O ZINC000827941442 636465243 /nfs/dbraw/zinc/46/52/43/636465243.db2.gz RWXXZUXPDDOZFY-LLVKDONJSA-N 1 0 262.353 2.054 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876556630 650324964 /nfs/dbraw/zinc/32/49/64/650324964.db2.gz VGQSCSISLFDTLS-LBPRGKRZSA-N 1 0 263.337 2.086 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCc3c[nH]nc3C1)CC2 ZINC000834620983 637892913 /nfs/dbraw/zinc/89/29/13/637892913.db2.gz ZTXMVVSAOPZDTH-CHWSQXEVSA-N 1 0 269.348 2.250 20 10 CECDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1nnnn1C1CC1 ZINC000834784033 637950555 /nfs/dbraw/zinc/95/05/55/637950555.db2.gz QYUNUTKEIHIAEN-CABZTGNLSA-N 1 0 285.351 2.052 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCc3nc[nH]c3C1)CC2 ZINC000834808242 637956878 /nfs/dbraw/zinc/95/68/78/637956878.db2.gz YPFPJXSCJCUKFI-YPMHNXCESA-N 1 0 269.348 2.250 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000834849861 637969859 /nfs/dbraw/zinc/96/98/59/637969859.db2.gz GXADWZNCPJBIPG-CABCVRRESA-N 1 0 292.423 2.198 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2CCO)c(O)c1 ZINC000834850584 637970568 /nfs/dbraw/zinc/97/05/68/637970568.db2.gz NCWNNQVIZSXWPL-HUUCEWRRSA-N 1 0 292.423 2.198 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccccc1O ZINC000834880657 637977044 /nfs/dbraw/zinc/97/70/44/637977044.db2.gz ASQCXFWDNHIMPA-LALPHHSUSA-N 1 0 265.353 2.094 20 10 CECDRO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(Cl)ccc1O ZINC000834909556 637985123 /nfs/dbraw/zinc/98/51/23/637985123.db2.gz SKKQPOAJKCSXLN-LKFCYVNXSA-N 1 0 282.771 2.365 20 10 CECDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876657933 650382704 /nfs/dbraw/zinc/38/27/04/650382704.db2.gz LQRBGGIIWRHYQQ-OAHLLOKOSA-N 1 0 290.407 2.439 20 10 CECDRO CN(C)c1ccc(/C=C\CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000835029447 638031274 /nfs/dbraw/zinc/03/12/74/638031274.db2.gz RESLSXKFMKGNAZ-IMBPEULASA-N 1 0 285.435 2.450 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835026669 638031324 /nfs/dbraw/zinc/03/13/24/638031324.db2.gz ZNQYMTYFASCBQE-RGDDUWESSA-N 1 0 288.391 2.261 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000835036488 638032876 /nfs/dbraw/zinc/03/28/76/638032876.db2.gz QJHOJVNPQJCEDI-ITDFMYJTSA-N 1 0 288.313 2.279 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000835044566 638035980 /nfs/dbraw/zinc/03/59/80/638035980.db2.gz MCTZHOGYEZIRFW-NHZBNJEXSA-N 1 0 299.418 2.119 20 10 CECDRO C[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)[C@H]1CO ZINC000835046027 638036637 /nfs/dbraw/zinc/03/66/37/638036637.db2.gz QIBGPDRSTPWOIH-ROHVMALMSA-N 1 0 274.408 2.469 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c(O)c1 ZINC000835086401 638057370 /nfs/dbraw/zinc/05/73/70/638057370.db2.gz GZYPSBKLUHZFLQ-RISCZKNCSA-N 1 0 265.353 2.448 20 10 CECDRO CC[N@H+](Cc1cccc(OC)c1O)[C@H]1CCOC1 ZINC000311098784 638091146 /nfs/dbraw/zinc/09/11/46/638091146.db2.gz BYPHKTYCEDWJAR-LBPRGKRZSA-N 1 0 251.326 2.012 20 10 CECDRO Cc1ccc(C[N@H+](CCO)Cc2cccnc2)c(O)c1 ZINC000876689948 650401837 /nfs/dbraw/zinc/40/18/37/650401837.db2.gz PNNONUXQNGJOBB-UHFFFAOYSA-N 1 0 272.348 2.090 20 10 CECDRO COCCOC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876725751 650411355 /nfs/dbraw/zinc/41/13/55/650411355.db2.gz PDHDSYRIOJEAEM-UHFFFAOYSA-N 1 0 279.380 2.328 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000876780674 650429324 /nfs/dbraw/zinc/42/93/24/650429324.db2.gz ICRQWWPWJQDUGU-CYBMUJFWSA-N 1 0 272.352 2.166 20 10 CECDRO C[N@H+](CCCCNC(=O)NCc1ccccc1O)C1CC1 ZINC000836687043 638689047 /nfs/dbraw/zinc/68/90/47/638689047.db2.gz LXPIMJSEDNCJRJ-UHFFFAOYSA-N 1 0 291.395 2.066 20 10 CECDRO CC[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccccc1O ZINC000156368198 639346218 /nfs/dbraw/zinc/34/62/18/639346218.db2.gz YOOBBVQPEKGPGU-ZBFHGGJFSA-N 1 0 279.380 2.222 20 10 CECDRO CC[C@H]([NH2+][C@H](C)CCS(C)(=O)=O)c1ccccc1O ZINC000156382799 639348025 /nfs/dbraw/zinc/34/80/25/639348025.db2.gz RAMRENSWCTXHIL-YPMHNXCESA-N 1 0 285.409 2.256 20 10 CECDRO CC[NH2+]CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000044651408 639350394 /nfs/dbraw/zinc/35/03/94/639350394.db2.gz FODFTELFTQTNAR-UHFFFAOYSA-N 1 0 289.423 2.245 20 10 CECDRO CCC[NH+]1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000156962315 639406142 /nfs/dbraw/zinc/40/61/42/639406142.db2.gz YPPNJHZMJKAMIX-UHFFFAOYSA-N 1 0 279.403 2.419 20 10 CECDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCOC3)CC2)cc1 ZINC000157313689 639481679 /nfs/dbraw/zinc/48/16/79/639481679.db2.gz OKRKQFGYAUIFQV-CQSZACIVSA-N 1 0 290.407 2.290 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000226610551 639556031 /nfs/dbraw/zinc/55/60/31/639556031.db2.gz IJVDEINIRJSCSD-ZDUSSCGKSA-N 1 0 267.325 2.416 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCn2cncn2)c(Cl)c1 ZINC000840876798 639569412 /nfs/dbraw/zinc/56/94/12/639569412.db2.gz ZHXUHRHKYYFGSF-UHFFFAOYSA-N 1 0 280.759 2.125 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000840918340 639585812 /nfs/dbraw/zinc/58/58/12/639585812.db2.gz SKINTDSZRHUZOX-MRXNPFEDSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(C)(C)CO ZINC000840935976 639591036 /nfs/dbraw/zinc/59/10/36/639591036.db2.gz FMUVUJLTEMZEBC-UHFFFAOYSA-N 1 0 250.386 2.169 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCNc1cnccn1 ZINC000840935492 639591282 /nfs/dbraw/zinc/59/12/82/639591282.db2.gz REDHHRAEXCHHKF-UHFFFAOYSA-N 1 0 285.395 2.053 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000840940082 639593731 /nfs/dbraw/zinc/59/37/31/639593731.db2.gz VEMLYRNYDOYCSN-ORAYPTAESA-N 1 0 282.453 2.260 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000840941169 639594502 /nfs/dbraw/zinc/59/45/02/639594502.db2.gz UOTZJNLLQVGKBN-OAHLLOKOSA-N 1 0 262.397 2.264 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2CCC(O)CC2)cc1 ZINC000227650272 639599868 /nfs/dbraw/zinc/59/98/68/639599868.db2.gz DXUNXSHCGRBXEG-UHFFFAOYSA-N 1 0 262.397 2.393 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](O)C(C)C ZINC000840967400 639603478 /nfs/dbraw/zinc/60/34/78/639603478.db2.gz MNXRKSHVFJWBCE-BLLLJJGKSA-N 1 0 297.395 2.295 20 10 CECDRO COC1([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000840970884 639604789 /nfs/dbraw/zinc/60/47/89/639604789.db2.gz ZGWQNLGGKRYHQY-JTQLQIEISA-N 1 0 279.336 2.168 20 10 CECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000840974729 639605865 /nfs/dbraw/zinc/60/58/65/639605865.db2.gz FSQUOGUSSCWFQW-INIZCTEOSA-N 1 0 293.363 2.176 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000840977486 639607856 /nfs/dbraw/zinc/60/78/56/639607856.db2.gz ITGMYBZXFRAUDA-NWDGAFQWSA-N 1 0 265.353 2.042 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cc1OC ZINC000840979894 639608556 /nfs/dbraw/zinc/60/85/56/639608556.db2.gz VKSDWLJPABONDV-NWDGAFQWSA-N 1 0 295.379 2.002 20 10 CECDRO CCOCc1cc(CN[C@@H](C[NH3+])C2CC2)ccc1OC ZINC000841027500 639620162 /nfs/dbraw/zinc/62/01/62/639620162.db2.gz CKJWPYAOIXKFOT-HNNXBMFYSA-N 1 0 278.396 2.059 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000841026624 639620582 /nfs/dbraw/zinc/62/05/82/639620582.db2.gz LVYRUDABAKCAIR-MXTKCAFNSA-N 1 0 271.408 2.060 20 10 CECDRO [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841028988 639621051 /nfs/dbraw/zinc/62/10/51/639621051.db2.gz DCDGIVANLNZUNY-MFKMUULPSA-N 1 0 252.333 2.138 20 10 CECDRO Oc1ccc(Cl)cc1CNC[C@@H]1CCCC[NH2+]1 ZINC000841032622 639625337 /nfs/dbraw/zinc/62/53/37/639625337.db2.gz IDEFCBNQKZZKAR-LBPRGKRZSA-N 1 0 254.761 2.277 20 10 CECDRO Nc1ccc(CC[NH2+]Cc2nccn2CC(F)(F)F)cc1 ZINC000841035199 639626180 /nfs/dbraw/zinc/62/61/80/639626180.db2.gz LEJFHXQZDCPEIK-UHFFFAOYSA-N 1 0 298.312 2.360 20 10 CECDRO [NH3+]C1(C[NH2+]Cc2cccc(F)c2[O-])CCCCC1 ZINC000841039140 639628750 /nfs/dbraw/zinc/62/87/50/639628750.db2.gz CABNKVFRIMICEA-UHFFFAOYSA-N 1 0 252.333 2.283 20 10 CECDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCCSC2)cc1 ZINC000841044555 639631107 /nfs/dbraw/zinc/63/11/07/639631107.db2.gz CZILCHZNYSYMBF-HIFRSBDPSA-N 1 0 279.453 2.238 20 10 CECDRO Cc1cc(O)c(CN[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000841043811 639631311 /nfs/dbraw/zinc/63/13/11/639631311.db2.gz WTFLYKHZEHVFIL-JTQLQIEISA-N 1 0 254.761 2.196 20 10 CECDRO CCOCc1cc(CN[C@@H]2C[NH2+]CC[C@@H]2C)ccc1OC ZINC000841059001 639636584 /nfs/dbraw/zinc/63/65/84/639636584.db2.gz IXQVBXQAHALBCQ-XJKSGUPXSA-N 1 0 292.423 2.319 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CN)C(C)(C)C)c(O)c1 ZINC000841086687 639652404 /nfs/dbraw/zinc/65/24/04/639652404.db2.gz CUFSXZBOWUONCP-AWEZNQCLSA-N 1 0 266.385 2.254 20 10 CECDRO CCOc1ccc(O)c(CN[C@@H]2CCCC[NH2+]C2)c1 ZINC000841091363 639654834 /nfs/dbraw/zinc/65/48/34/639654834.db2.gz WINOGCOVOREEQW-CYBMUJFWSA-N 1 0 264.369 2.023 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)c(O)c1 ZINC000228931823 639665870 /nfs/dbraw/zinc/66/58/70/639665870.db2.gz XLHCPRRIQHBUKM-RYUDHWBXSA-N 1 0 264.369 2.264 20 10 CECDRO CCOc1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)c(O)c1 ZINC000841105666 639672426 /nfs/dbraw/zinc/67/24/26/639672426.db2.gz WTGWWLOZLIJGFX-INIZCTEOSA-N 1 0 276.380 2.119 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)C(OC)OC)c1O ZINC000229052151 639674319 /nfs/dbraw/zinc/67/43/19/639674319.db2.gz PKJPNNBISPFFHP-MRVPVSSYSA-N 1 0 289.759 2.151 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(O)c2)c(O)c1 ZINC000171134463 639702194 /nfs/dbraw/zinc/70/21/94/639702194.db2.gz BIFPHFHXOUHATG-UHFFFAOYSA-N 1 0 289.331 2.405 20 10 CECDRO c1cc(C[NH2+]Cc2cc3c(cn2)OCCO3)cc2c1OCC2 ZINC000876996226 650524108 /nfs/dbraw/zinc/52/41/08/650524108.db2.gz PVJDHUOMYDEXCX-UHFFFAOYSA-N 1 0 298.342 2.078 20 10 CECDRO COc1ccc(O)c(CN2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000063191909 639838112 /nfs/dbraw/zinc/83/81/12/639838112.db2.gz PIVXBQGBGUSJLX-FZMZJTMJSA-N 1 0 264.369 2.103 20 10 CECDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841744687 639855459 /nfs/dbraw/zinc/85/54/59/639855459.db2.gz JYIJYAFKKYIYNF-VXGBXAGGSA-N 1 0 298.814 2.417 20 10 CECDRO Nc1ccc(CC(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1 ZINC000841855969 639885102 /nfs/dbraw/zinc/88/51/02/639885102.db2.gz KJTVLCCMGUVDED-QGZVFWFLSA-N 1 0 297.402 2.408 20 10 CECDRO C[C@H](CCC[NH3+])NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841882047 639898184 /nfs/dbraw/zinc/89/81/84/639898184.db2.gz VRRSSHYNPWOKOZ-CHWSQXEVSA-N 1 0 292.427 2.240 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCCN1CCCCC1=O ZINC000877022645 650534551 /nfs/dbraw/zinc/53/45/51/650534551.db2.gz OXTPSPSVGALJCV-UHFFFAOYSA-N 1 0 276.380 2.193 20 10 CECDRO COc1ncncc1C[NH2+]CCCSc1nccs1 ZINC000842683651 640149107 /nfs/dbraw/zinc/14/91/07/640149107.db2.gz QBMXHRMYOHFQID-UHFFFAOYSA-N 1 0 296.421 2.214 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)c(O)c1 ZINC000842776761 640179636 /nfs/dbraw/zinc/17/96/36/640179636.db2.gz ZRIBUOZRXZLGSO-CMPLNLGQSA-N 1 0 251.326 2.058 20 10 CECDRO CN(C(=O)c1cc2c(s1)CC[NH2+]C2)c1ccc(N)cc1 ZINC000877074181 650560302 /nfs/dbraw/zinc/56/03/02/650560302.db2.gz BHJNAIKMWGBTAN-UHFFFAOYSA-N 1 0 287.388 2.253 20 10 CECDRO [O-]c1c(F)cccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000843044182 640249402 /nfs/dbraw/zinc/24/94/02/640249402.db2.gz WRUVIJPSWWZMGJ-UHFFFAOYSA-N 1 0 264.344 2.248 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@H]([NH2+]C)C2)cc1F ZINC000843045560 640251366 /nfs/dbraw/zinc/25/13/66/640251366.db2.gz VDFUEQLOZNJKGN-AWEZNQCLSA-N 1 0 279.403 2.466 20 10 CECDRO CN(C)c1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000843055243 640257673 /nfs/dbraw/zinc/25/76/73/640257673.db2.gz HOYZIMAOODCVPE-INIZCTEOSA-N 1 0 259.397 2.079 20 10 CECDRO CC[NH2+]CC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000843055872 640258437 /nfs/dbraw/zinc/25/84/37/640258437.db2.gz RDJZABQSCVOTPY-UHFFFAOYSA-N 1 0 266.360 2.353 20 10 CECDRO C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843056808 640258461 /nfs/dbraw/zinc/25/84/61/640258461.db2.gz AICTXFDFMZVADI-DTWKUNHWSA-N 1 0 272.751 2.354 20 10 CECDRO Cc1cc(Br)c(O)c(CN2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000843120418 640289113 /nfs/dbraw/zinc/28/91/13/640289113.db2.gz KDMRMJBLVBBRPS-BXKDBHETSA-N 1 0 299.212 2.242 20 10 CECDRO COc1ccc(O)c(CN[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000843129407 640295553 /nfs/dbraw/zinc/29/55/53/640295553.db2.gz TWVCBAOOWGSQRP-OAHLLOKOSA-N 1 0 276.380 2.165 20 10 CECDRO C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000843129053 640295605 /nfs/dbraw/zinc/29/56/05/640295605.db2.gz LYMHNQONIDBXFC-JGVFFNPUSA-N 1 0 260.740 2.400 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000843421295 640423343 /nfs/dbraw/zinc/42/33/43/640423343.db2.gz WPKCAPPZNMOKLJ-WBMJQRKESA-N 1 0 277.364 2.402 20 10 CECDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000843427560 640426749 /nfs/dbraw/zinc/42/67/49/640426749.db2.gz RCCUKZYSZLNDCG-WCQYABFASA-N 1 0 267.369 2.288 20 10 CECDRO CC[C@@]1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCC[NH2+]1 ZINC000843489467 640442385 /nfs/dbraw/zinc/44/23/85/640442385.db2.gz PIRCSKKSPKCJJO-ZBEGNZNMSA-N 1 0 292.379 2.110 20 10 CECDRO Cc1ccc(C[NH2+]CCNc2ccccn2)c(O)c1 ZINC000877149098 650596037 /nfs/dbraw/zinc/59/60/37/650596037.db2.gz FBYSPKRHOONDNF-UHFFFAOYSA-N 1 0 257.337 2.297 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CCCCCO)cc1 ZINC000844399543 640708741 /nfs/dbraw/zinc/70/87/41/640708741.db2.gz LJGXFRYIOCDWHD-UHFFFAOYSA-N 1 0 280.412 2.226 20 10 CECDRO Cc1cccc(O)c1C[N@H+](C)CCc1cnccn1 ZINC000877171775 650609455 /nfs/dbraw/zinc/60/94/55/650609455.db2.gz KWGONVTUDUMOTP-UHFFFAOYSA-N 1 0 257.337 2.165 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCSCCCO)c1O ZINC000846143360 641199440 /nfs/dbraw/zinc/19/94/40/641199440.db2.gz DZTWWFLHGCGDTH-NSHDSACASA-N 1 0 285.409 2.167 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](CO)CC(C)C)c1O ZINC000846144688 641200564 /nfs/dbraw/zinc/20/05/64/641200564.db2.gz MYEKIHWVRUWVQJ-RYUDHWBXSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)CC(C)C)c1O ZINC000846144679 641201040 /nfs/dbraw/zinc/20/10/40/641201040.db2.gz MYEKIHWVRUWVQJ-NEPJUHHUSA-N 1 0 267.369 2.458 20 10 CECDRO COC[C@@H](C)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846147065 641201824 /nfs/dbraw/zinc/20/18/24/641201824.db2.gz VIDNGIXKICSSIG-WDEREUQCSA-N 1 0 253.342 2.334 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2COCC2(C)C)c1O ZINC000846167999 641210417 /nfs/dbraw/zinc/21/04/17/641210417.db2.gz FYFOZFKSHKQKNR-ZWNOBZJWSA-N 1 0 265.353 2.476 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CN(C)C)c1O ZINC000846174512 641213029 /nfs/dbraw/zinc/21/30/29/641213029.db2.gz WZGSCYFETJMVFJ-QWRGUYRKSA-N 1 0 252.358 2.002 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000846205712 641219924 /nfs/dbraw/zinc/21/99/24/641219924.db2.gz KIGFJJXZHXFXGM-QWHCGFSZSA-N 1 0 288.391 2.362 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CCCC2=O)cc1 ZINC000846208839 641222824 /nfs/dbraw/zinc/22/28/24/641222824.db2.gz MKQHQDNHUHDDDS-CQSZACIVSA-N 1 0 289.423 2.416 20 10 CECDRO Cc1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(O)c1O ZINC000179515771 641360841 /nfs/dbraw/zinc/36/08/41/641360841.db2.gz VUFKVPIHHXVLFH-LLVKDONJSA-N 1 0 294.395 2.112 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000846921293 641483800 /nfs/dbraw/zinc/48/38/00/641483800.db2.gz RRLJIWISUIVMQL-MRXNPFEDSA-N 1 0 289.423 2.195 20 10 CECDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877323471 650676049 /nfs/dbraw/zinc/67/60/49/650676049.db2.gz PHEITDSTJSQNEF-NEPJUHHUSA-N 1 0 265.353 2.378 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(C(N)=O)c2)c1 ZINC000071407153 641757924 /nfs/dbraw/zinc/75/79/24/641757924.db2.gz HHNATCZMIXADSJ-UHFFFAOYSA-N 1 0 270.332 2.089 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(N(C)C)cc1 ZINC000848563995 642055979 /nfs/dbraw/zinc/05/59/79/642055979.db2.gz GKWZWYMDUCOYIS-OCCSQVGLSA-N 1 0 299.422 2.089 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(F)ccc1O ZINC000848569088 642058308 /nfs/dbraw/zinc/05/83/08/642058308.db2.gz BUIQXLRKZMCVDE-SKDRFNHKSA-N 1 0 294.326 2.165 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c(O)c1 ZINC000848572800 642060515 /nfs/dbraw/zinc/06/05/15/642060515.db2.gz VXORELFWNIOTTA-WCQYABFASA-N 1 0 290.363 2.334 20 10 CECDRO [NH3+]C[C@@H](NCc1c([O-])ccc(Cl)c1F)C(F)(F)F ZINC000848714345 642109577 /nfs/dbraw/zinc/10/95/77/642109577.db2.gz ODTGULOROMHADY-MRVPVSSYSA-N 1 0 286.656 2.164 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1O ZINC000848881215 642168191 /nfs/dbraw/zinc/16/81/91/642168191.db2.gz LZQLKBTWZJPJGU-RISCZKNCSA-N 1 0 276.380 2.040 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1O ZINC000848884091 642168893 /nfs/dbraw/zinc/16/88/93/642168893.db2.gz WZZDSTQWOQZGMC-ZDUSSCGKSA-N 1 0 290.407 2.432 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000848897842 642176962 /nfs/dbraw/zinc/17/69/62/642176962.db2.gz NCRZJQXYCALTDX-CQSZACIVSA-N 1 0 290.407 2.444 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(CC)c2O)[C@H]1OC ZINC000848902702 642180369 /nfs/dbraw/zinc/18/03/69/642180369.db2.gz GQBZKOOHNTWVHN-SQWLQELKSA-N 1 0 279.380 2.237 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(CC)c1O ZINC000848903504 642181294 /nfs/dbraw/zinc/18/12/94/642181294.db2.gz UTLMWUQELNFTBZ-LSDHHAIUSA-N 1 0 279.380 2.238 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C[C@@H](C)O)C2CC2)c1O ZINC000848929456 642199481 /nfs/dbraw/zinc/19/94/81/642199481.db2.gz XAZQGQVMFGMLGV-SECBINFHSA-N 1 0 285.771 2.399 20 10 CECDRO Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c(O)c1 ZINC000877465848 650731892 /nfs/dbraw/zinc/73/18/92/650731892.db2.gz YXJQBXWBQUOSMN-HUUCEWRRSA-N 1 0 289.375 2.271 20 10 CECDRO CC(C)NC(=[NH2+])NCc1cc(Br)ccc1O ZINC000849027672 642240863 /nfs/dbraw/zinc/24/08/63/642240863.db2.gz CQRLFPOQXQMNBA-UHFFFAOYSA-N 1 0 286.173 2.177 20 10 CECDRO CCO[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000771935086 642252523 /nfs/dbraw/zinc/25/25/23/642252523.db2.gz KTWSIRJLSPGUBZ-LBPRGKRZSA-N 1 0 265.353 2.402 20 10 CECDRO CN(C(=[NH2+])NCc1cc(Cl)ccc1O)C1CC1 ZINC000849050004 642258022 /nfs/dbraw/zinc/25/80/22/642258022.db2.gz WQKLKWIRXNPTLI-UHFFFAOYSA-N 1 0 253.733 2.164 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000877474962 650738678 /nfs/dbraw/zinc/73/86/78/650738678.db2.gz AWAJCAQUNSHZIS-UHFFFAOYSA-N 1 0 270.332 2.360 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cnccn3)C2)cc1 ZINC000849322131 642327065 /nfs/dbraw/zinc/32/70/65/642327065.db2.gz OAVDFYRBYYNSGQ-ZIAGYGMSSA-N 1 0 298.390 2.415 20 10 CECDRO [NH3+]C1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCC1 ZINC000849350284 642340780 /nfs/dbraw/zinc/34/07/80/642340780.db2.gz WTSPVNALTRXPPV-UHFFFAOYSA-N 1 0 299.758 2.315 20 10 CECDRO COc1ccc(N2CC[C@@H](NCC[NH2+]C(C)(C)C)C2)cc1 ZINC000849350348 642340886 /nfs/dbraw/zinc/34/08/86/642340886.db2.gz NZELHVSRDOKFLL-CQSZACIVSA-N 1 0 291.439 2.252 20 10 CECDRO FCCn1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000921648871 642387932 /nfs/dbraw/zinc/38/79/32/642387932.db2.gz FOOJPYLQIFJMRT-UHFFFAOYSA-N 1 0 275.327 2.077 20 10 CECDRO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC000877491997 650748454 /nfs/dbraw/zinc/74/84/54/650748454.db2.gz DSZUPFDFAZHKHB-CZUORRHYSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c(O)c1 ZINC000877495551 650750769 /nfs/dbraw/zinc/75/07/69/650750769.db2.gz YLSTWCCXUIPOEA-WMLDXEAASA-N 1 0 291.391 2.471 20 10 CECDRO COCCOC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921782077 642611929 /nfs/dbraw/zinc/61/19/29/642611929.db2.gz DLSRTJRUTBVFGQ-CYBMUJFWSA-N 1 0 279.380 2.153 20 10 CECDRO Cc1cccc(O)c1C[N@H+](CCCO)Cc1ccccn1 ZINC000877527164 650768250 /nfs/dbraw/zinc/76/82/50/650768250.db2.gz POSNLTZEZOXWFY-UHFFFAOYSA-N 1 0 286.375 2.480 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cccnc3)C2)cc1 ZINC000850346161 642675523 /nfs/dbraw/zinc/67/55/23/642675523.db2.gz QZFBASMTBLWYAF-OAHLLOKOSA-N 1 0 283.375 2.459 20 10 CECDRO COc1cccc(C[NH2+]CCc2cnccc2C)c1O ZINC000850356695 642680974 /nfs/dbraw/zinc/68/09/74/642680974.db2.gz ZRSFPLLITNPGEH-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000850388677 642695736 /nfs/dbraw/zinc/69/57/36/642695736.db2.gz OSLIUMBXDBTBBS-OLZOCXBDSA-N 1 0 267.756 2.439 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000877543735 650778757 /nfs/dbraw/zinc/77/87/57/650778757.db2.gz FXWJYBKSBLVQDB-ZDUSSCGKSA-N 1 0 257.337 2.344 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCOC3(C)C)C2)cc1 ZINC000850486060 642729720 /nfs/dbraw/zinc/72/97/20/642729720.db2.gz DSJNMTXGUHHJID-BBRMVZONSA-N 1 0 290.407 2.431 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3C)C2)cc1 ZINC000850489387 642730439 /nfs/dbraw/zinc/73/04/39/642730439.db2.gz SUKPMRCEJXXAGN-JKIFEVAISA-N 1 0 290.407 2.289 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000850548539 642749457 /nfs/dbraw/zinc/74/94/57/642749457.db2.gz UVCUXHXHNYTAJS-ONGXEEELSA-N 1 0 296.342 2.367 20 10 CECDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(Br)ccc1O ZINC000850579422 642757339 /nfs/dbraw/zinc/75/73/39/642757339.db2.gz WTKKMLUPPLCTQI-SZEHBUNVSA-N 1 0 286.169 2.329 20 10 CECDRO C[N@H+](CCC(=O)NC1CCCC1)Cc1ccccc1O ZINC000109773238 642926001 /nfs/dbraw/zinc/92/60/01/642926001.db2.gz CXQVCPBZNCZEOU-UHFFFAOYSA-N 1 0 276.380 2.273 20 10 CECDRO Oc1ccccc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000922579692 643139522 /nfs/dbraw/zinc/13/95/22/643139522.db2.gz JUZHLPPDIKANIT-AWEZNQCLSA-N 1 0 255.321 2.423 20 10 CECDRO Cc1ccc(C[NH2+]CCc2cncc(C)n2)c(O)c1 ZINC000877633127 650825188 /nfs/dbraw/zinc/82/51/88/650825188.db2.gz ANAVIBFFFADQAP-UHFFFAOYSA-N 1 0 257.337 2.131 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C2CSC2)cc1F ZINC000877633567 650825205 /nfs/dbraw/zinc/82/52/05/650825205.db2.gz BGYQEPBYQHMXLL-UHFFFAOYSA-N 1 0 258.337 2.236 20 10 CECDRO CC(C)[N@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000851951563 643240207 /nfs/dbraw/zinc/24/02/07/643240207.db2.gz YUDZSYZVWRDYOU-WMLDXEAASA-N 1 0 293.455 2.104 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC[C@H]2CNC(=O)C2)cc1 ZINC000922785683 643264338 /nfs/dbraw/zinc/26/43/38/643264338.db2.gz SAHDVGPSTQWHFY-OAHLLOKOSA-N 1 0 289.423 2.149 20 10 CECDRO Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c(O)c1 ZINC000877636725 650827426 /nfs/dbraw/zinc/82/74/26/650827426.db2.gz HDAZWVVMIIAEJA-OAHLLOKOSA-N 1 0 290.407 2.437 20 10 CECDRO Cc1cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)ccc1N(C)C ZINC000852580184 643480003 /nfs/dbraw/zinc/48/00/03/643480003.db2.gz BGDZMXLUBGIDMA-HZPDHXFCSA-N 1 0 274.408 2.454 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN(C)CC(C)(C)[NH3+])c1O ZINC000852755010 643538246 /nfs/dbraw/zinc/53/82/46/643538246.db2.gz TVFXZPZSYRFHBA-UHFFFAOYSA-N 1 0 284.787 2.417 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@@H]2O)cc1Cl ZINC000877700458 650857424 /nfs/dbraw/zinc/85/74/24/650857424.db2.gz PQERCGIVAOVBIG-RYUDHWBXSA-N 1 0 255.745 2.357 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1OC ZINC000877703495 650860746 /nfs/dbraw/zinc/86/07/46/650860746.db2.gz MBQYZCBZIUXQEJ-RKDXNWHRSA-N 1 0 291.269 2.450 20 10 CECDRO COc1cc(O)c(C[NH+]2CC(C)(C)C2)cc1OC ZINC000877717078 650867481 /nfs/dbraw/zinc/86/74/81/650867481.db2.gz FQCJGVXHMBRTTR-UHFFFAOYSA-N 1 0 251.326 2.251 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1O ZINC000853585392 643823186 /nfs/dbraw/zinc/82/31/86/643823186.db2.gz GVYRBWOFWZOGHF-GXTWGEPZSA-N 1 0 277.364 2.178 20 10 CECDRO COc1ccc(N2CC[C@@H](N[C@H](C)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000854216630 644013575 /nfs/dbraw/zinc/01/35/75/644013575.db2.gz BNZPQFYZGXGJFZ-CKEIUWERSA-N 1 0 289.423 2.004 20 10 CECDRO CCOc1ccc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877744387 650891218 /nfs/dbraw/zinc/89/12/18/650891218.db2.gz SIKAAYUPYBLJBJ-XJKSGUPXSA-N 1 0 290.407 2.317 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)cc1OC ZINC000877752157 650896331 /nfs/dbraw/zinc/89/63/31/650896331.db2.gz NWQZHSDYXKDSJB-LBPRGKRZSA-N 1 0 295.379 2.002 20 10 CECDRO Cc1noc(C2C[NH+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000839130992 644167976 /nfs/dbraw/zinc/16/79/76/644167976.db2.gz LGHVHENTCGKVHM-UHFFFAOYSA-N 1 0 272.352 2.043 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000839182216 644181247 /nfs/dbraw/zinc/18/12/47/644181247.db2.gz LRSHEGQAFDJBQL-GJZGRUSLSA-N 1 0 277.364 2.448 20 10 CECDRO COc1nccnc1C[NH2+][C@H](C)c1ccccc1O ZINC000877755526 650899019 /nfs/dbraw/zinc/89/90/19/650899019.db2.gz DGLVFSQEHQPODU-SNVBAGLBSA-N 1 0 259.309 2.042 20 10 CECDRO CCOC[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113335870 644356519 /nfs/dbraw/zinc/35/65/19/644356519.db2.gz REKKCJCUSXCVOZ-NSHDSACASA-N 1 0 254.349 2.406 20 10 CECDRO CC[C@H]([NH2+]C[C@](C)(O)COC)c1cccc(Cl)c1[O-] ZINC000806140720 644423108 /nfs/dbraw/zinc/42/31/08/644423108.db2.gz ZOSPYCBZKMWRLU-JSGCOSHPSA-N 1 0 287.787 2.484 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1O ZINC000755155657 644481000 /nfs/dbraw/zinc/48/10/00/644481000.db2.gz CNMGZAOMDRAXLP-BMIGLBTASA-N 1 0 281.327 2.391 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCO2)c2c1c(F)ccc2O ZINC000756433588 644648754 /nfs/dbraw/zinc/64/87/54/644648754.db2.gz DLZMJWYGTUMHDW-FOGDFJRCSA-N 1 0 281.327 2.085 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCOC[C@@H]2C)c1 ZINC000756537350 644659856 /nfs/dbraw/zinc/65/98/56/644659856.db2.gz YHTPVYXYTBCWBV-UONOGXRCSA-N 1 0 278.396 2.072 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)c(O)c1C ZINC000756656607 644679804 /nfs/dbraw/zinc/67/98/04/644679804.db2.gz YXMAVWCPERAWDW-YOEHRIQHSA-N 1 0 293.407 2.449 20 10 CECDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000756731557 644687309 /nfs/dbraw/zinc/68/73/09/644687309.db2.gz CAWPDJSDTLJFIS-VXGBXAGGSA-N 1 0 283.368 2.103 20 10 CECDRO C[C@@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C(=O)N(C)C ZINC000756737713 644688039 /nfs/dbraw/zinc/68/80/39/644688039.db2.gz YHBUYEVPZBZECC-NGZCFLSTSA-N 1 0 280.343 2.146 20 10 CECDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1cc(F)ccc1O ZINC000756769068 644690574 /nfs/dbraw/zinc/69/05/74/644690574.db2.gz JBOSNDSUWBPXRZ-CABZTGNLSA-N 1 0 253.317 2.343 20 10 CECDRO C[NH+]1CCC([C@@H]2CCN(C(=O)C3=CC(=O)CS3)C2)CC1 ZINC000756809264 644694387 /nfs/dbraw/zinc/69/43/87/644694387.db2.gz NLNXFMHBEJCBEH-GFCCVEGCSA-N 1 0 294.420 2.258 20 10 CECDRO C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843058315 644773457 /nfs/dbraw/zinc/77/34/57/644773457.db2.gz RNUKOFMVILZBED-RKDXNWHRSA-N 1 0 299.758 2.123 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1CO ZINC000857061445 644806264 /nfs/dbraw/zinc/80/62/64/644806264.db2.gz QWDRKKYJFSCVDX-PWSUYJOCSA-N 1 0 269.772 2.496 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)c2c1c(F)ccc2O ZINC000757630965 644827628 /nfs/dbraw/zinc/82/76/28/644827628.db2.gz AZUVSIXVRSFAPJ-BXKDBHETSA-N 1 0 292.354 2.195 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000757636466 644828704 /nfs/dbraw/zinc/82/87/04/644828704.db2.gz HIKCFSCLVKVPCH-KWQFWETISA-N 1 0 290.342 2.338 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000757636465 644828809 /nfs/dbraw/zinc/82/88/09/644828809.db2.gz HIKCFSCLVKVPCH-KCJUWKMLSA-N 1 0 290.342 2.338 20 10 CECDRO COC[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)OC ZINC000757638540 644829981 /nfs/dbraw/zinc/82/99/81/644829981.db2.gz QMVUTPGSBFJIOW-NHCYSSNCSA-N 1 0 283.343 2.331 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000857226262 644858298 /nfs/dbraw/zinc/85/82/98/644858298.db2.gz JKNSISBCRXUEKZ-NVXWUHKLSA-N 1 0 273.424 2.374 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000759174523 644992635 /nfs/dbraw/zinc/99/26/35/644992635.db2.gz VKBROIZFLQIAMQ-GDBMZVCRSA-N 1 0 279.380 2.293 20 10 CECDRO CO[C@@H](C)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858189443 645084845 /nfs/dbraw/zinc/08/48/45/645084845.db2.gz RJPFFTLALDDFFD-VIFPVBQESA-N 1 0 258.312 2.155 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C3CCC3)C2=O)cc1C ZINC000858343337 645125972 /nfs/dbraw/zinc/12/59/72/645125972.db2.gz YMYOPWPFQRAJIS-HNNXBMFYSA-N 1 0 288.391 2.252 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000760890375 645207121 /nfs/dbraw/zinc/20/71/21/645207121.db2.gz XDDAFZINNRVPCD-DJSGYFEHSA-N 1 0 295.379 2.245 20 10 CECDRO COC(=O)CCC(C)(C)[NH2+]Cc1cc(OC)ccc1O ZINC000762788772 645451256 /nfs/dbraw/zinc/45/12/56/645451256.db2.gz XFYRMGQYOMOOJB-UHFFFAOYSA-N 1 0 281.352 2.222 20 10 CECDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCOC1 ZINC000763573560 645558349 /nfs/dbraw/zinc/55/83/49/645558349.db2.gz SVTGFMIJMXBODD-CZUORRHYSA-N 1 0 279.380 2.465 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC3(CC3)C(=O)O2)c1 ZINC000763728027 645570995 /nfs/dbraw/zinc/57/09/95/645570995.db2.gz CSJPBDWZCJZSBX-PWSUYJOCSA-N 1 0 291.347 2.147 20 10 CECDRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000765728639 645802946 /nfs/dbraw/zinc/80/29/46/645802946.db2.gz NOFQTORRCMGKMH-HUUCEWRRSA-N 1 0 291.439 2.124 20 10 CECDRO CC(C)[NH+]1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000127014724 651051904 /nfs/dbraw/zinc/05/19/04/651051904.db2.gz IHIDKEUPUQHMDB-UHFFFAOYSA-N 1 0 279.403 2.418 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)cc1 ZINC000766437533 645886123 /nfs/dbraw/zinc/88/61/23/645886123.db2.gz PAZXPFKBNLCGHK-CJNGLKHVSA-N 1 0 289.423 2.414 20 10 CECDRO C[C@H]([NH2+]CCNc1cnccn1)c1ccc(N(C)C)cc1 ZINC000766591131 645903586 /nfs/dbraw/zinc/90/35/86/645903586.db2.gz NNMITWITKLOZHT-ZDUSSCGKSA-N 1 0 285.395 2.305 20 10 CECDRO CCOc1ccc(C[N@H+](C)Cc2cnn(C)c2)c(O)c1 ZINC000768200202 646095368 /nfs/dbraw/zinc/09/53/68/646095368.db2.gz LNULYYRAUKQEOU-UHFFFAOYSA-N 1 0 275.352 2.156 20 10 CECDRO CCOc1ccc(CN2CC[NH+](C(C)C)CC2)c(O)c1 ZINC000768240826 646100044 /nfs/dbraw/zinc/10/00/44/646100044.db2.gz HDEMTJVVOLQYLN-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768438032 646122050 /nfs/dbraw/zinc/12/20/50/646122050.db2.gz OQQYSNPMFGOMRN-IINYFYTJSA-N 1 0 263.337 2.050 20 10 CECDRO COc1cc(C[NH+]2CCC(OC)CC2)c(O)cc1C ZINC000768440716 646122662 /nfs/dbraw/zinc/12/26/62/646122662.db2.gz CHWIEDFPKVQAKK-UHFFFAOYSA-N 1 0 265.353 2.320 20 10 CECDRO CCC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768443094 646123826 /nfs/dbraw/zinc/12/38/26/646123826.db2.gz OVGUVATZLFBQCT-HNNXBMFYSA-N 1 0 277.364 2.440 20 10 CECDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c(O)cc1C ZINC000768461487 646127030 /nfs/dbraw/zinc/12/70/30/646127030.db2.gz DFKIPLPUGCKTSH-GXTWGEPZSA-N 1 0 279.380 2.445 20 10 CECDRO COC(=O)CC[N@@H+](Cc1c(O)cccc1OC)CC(C)C ZINC000768849569 646173890 /nfs/dbraw/zinc/17/38/90/646173890.db2.gz ICPHQONKCLITCX-UHFFFAOYSA-N 1 0 295.379 2.422 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@H](C)O1 ZINC000769104680 646206246 /nfs/dbraw/zinc/20/62/46/646206246.db2.gz JFXRILSZGVRNPA-NWDGAFQWSA-N 1 0 265.353 2.400 20 10 CECDRO C[N@H+](Cc1cn[nH]c1)Cc1cc(Cl)ccc1O ZINC000769425632 646265090 /nfs/dbraw/zinc/26/50/90/646265090.db2.gz RAESPUDNQNYRNG-UHFFFAOYSA-N 1 0 251.717 2.401 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000769451865 646268449 /nfs/dbraw/zinc/26/84/49/646268449.db2.gz NWQDOJBGISCRIS-NEPJUHHUSA-N 1 0 265.353 2.136 20 10 CECDRO CCC1(O)CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769482715 646275814 /nfs/dbraw/zinc/27/58/14/646275814.db2.gz DHWQLTZAKSBSMW-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000769709729 646305319 /nfs/dbraw/zinc/30/53/19/646305319.db2.gz JKALBZAACSABLZ-AAEUAGOBSA-N 1 0 265.353 2.448 20 10 CECDRO CC(C)[N@H+](CCO)Cc1cc(F)c(N(C)C)cc1F ZINC000862213046 646364353 /nfs/dbraw/zinc/36/43/53/646364353.db2.gz MMVYGFZMVFCMCX-UHFFFAOYSA-N 1 0 272.339 2.234 20 10 CECDRO CCOC(=O)c1cccc(C[NH2+]Cc2ccccc2O)n1 ZINC000862274493 646388059 /nfs/dbraw/zinc/38/80/59/646388059.db2.gz PCDRKAVZDNHIKT-UHFFFAOYSA-N 1 0 286.331 2.254 20 10 CECDRO COc1cccc(C[NH2+]Cc2nc(C)c(C)[nH]2)c1O ZINC000862367135 646417686 /nfs/dbraw/zinc/41/76/86/646417686.db2.gz XBKJRAUTIYTVJC-UHFFFAOYSA-N 1 0 261.325 2.031 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1Cl ZINC000862428425 646456069 /nfs/dbraw/zinc/45/60/69/646456069.db2.gz QBVDVKXPMSSFAO-GFCCVEGCSA-N 1 0 296.798 2.407 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000773101149 646706236 /nfs/dbraw/zinc/70/62/36/646706236.db2.gz ANZKKUGLAARCRC-IUODEOHRSA-N 1 0 298.452 2.226 20 10 CECDRO CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1O ZINC000863546259 646753875 /nfs/dbraw/zinc/75/38/75/646753875.db2.gz HUECUMZNBUBRSH-TVYUQYBPSA-N 1 0 252.333 2.322 20 10 CECDRO CN(C)c1ccc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1F ZINC000863650890 646777038 /nfs/dbraw/zinc/77/70/38/646777038.db2.gz DOWGIUGOAPSSKC-CALCHBBNSA-N 1 0 291.414 2.323 20 10 CECDRO CCN(C)c1ccc(C[NH2+][C@H](C(=O)NC)C(C)C)cc1 ZINC000773814995 646777267 /nfs/dbraw/zinc/77/72/67/646777267.db2.gz XMAHDZHGAKFPBI-HNNXBMFYSA-N 1 0 277.412 2.003 20 10 CECDRO C[N@H+](CC(=O)NCCCSc1nccs1)C1CCC1 ZINC000863874161 646840033 /nfs/dbraw/zinc/84/00/33/646840033.db2.gz NTDHFKNPHIAMLO-UHFFFAOYSA-N 1 0 299.465 2.226 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCOCC[C@@H]2C)c1O ZINC000774660195 646874017 /nfs/dbraw/zinc/87/40/17/646874017.db2.gz PBISFTHMYXOXON-LBPRGKRZSA-N 1 0 265.353 2.320 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000774828517 646900331 /nfs/dbraw/zinc/90/03/31/646900331.db2.gz CQLDPMDJIWFPLN-SMDDNHRTSA-N 1 0 265.353 2.306 20 10 CECDRO COCC[C@@]1([NH2+]Cc2ccc(OC)c(C)c2)CCOC1 ZINC000775032214 646917918 /nfs/dbraw/zinc/91/79/18/646917918.db2.gz GOQXBAHHMWUMFK-MRXNPFEDSA-N 1 0 279.380 2.289 20 10 CECDRO C[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccccc1O ZINC000775135862 646926140 /nfs/dbraw/zinc/92/61/40/646926140.db2.gz GZUKVHLEEZHBKT-XHDPSFHLSA-N 1 0 270.332 2.269 20 10 CECDRO CC[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccccc1O ZINC000775522151 646963039 /nfs/dbraw/zinc/96/30/39/646963039.db2.gz KNJGDWIIFJQDQZ-CQSZACIVSA-N 1 0 297.420 2.258 20 10 CECDRO CC[C@H]([NH2+]Cc1cn(C)nn1)c1cc(Cl)ccc1O ZINC000775552321 646965089 /nfs/dbraw/zinc/96/50/89/646965089.db2.gz UIDNQIQGZULFGS-LBPRGKRZSA-N 1 0 280.759 2.415 20 10 CECDRO CC[N@@H+](Cc1cc(OC)ccc1O)C[C@@H]1CCOC1 ZINC000775653277 646976757 /nfs/dbraw/zinc/97/67/57/646976757.db2.gz CEVQOTHLQKZIEQ-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000775674663 646979518 /nfs/dbraw/zinc/97/95/18/646979518.db2.gz IEVFWXNMUAYACW-AWEZNQCLSA-N 1 0 293.363 2.128 20 10 CECDRO COc1cc(O)c(C[N@H+](C[C@H](C)O)C(C)C)cc1OC ZINC000775682356 646980119 /nfs/dbraw/zinc/98/01/19/646980119.db2.gz WNXTXIPAIISAIV-NSHDSACASA-N 1 0 283.368 2.001 20 10 CECDRO C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000775834280 646997702 /nfs/dbraw/zinc/99/77/02/646997702.db2.gz MUAZSSHDCVXCCT-JSGCOSHPSA-N 1 0 276.380 2.356 20 10 CECDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(N(C)C)cc2)CCN1C ZINC000775986909 647014225 /nfs/dbraw/zinc/01/42/25/647014225.db2.gz SNMLISOYSZIKOX-ZIAGYGMSSA-N 1 0 261.413 2.277 20 10 CECDRO CC[C@@]1(O)CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000778398687 647228068 /nfs/dbraw/zinc/22/80/68/647228068.db2.gz NGIORSXQVFLUCU-OAHLLOKOSA-N 1 0 281.327 2.081 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000779008775 647281473 /nfs/dbraw/zinc/28/14/73/647281473.db2.gz XWBXOUTXUZQJNF-CQSZACIVSA-N 1 0 257.337 2.426 20 10 CECDRO Cc1cccc(NCC[NH2+]Cc2cc(F)ccc2O)n1 ZINC000779125428 647290164 /nfs/dbraw/zinc/29/01/64/647290164.db2.gz ZXFRNZFOMZHJAU-UHFFFAOYSA-N 1 0 275.327 2.436 20 10 CECDRO CNC(=O)C1([NH2+]Cc2cc(C)c(C)cc2O)CCCC1 ZINC000779176057 647294656 /nfs/dbraw/zinc/29/46/56/647294656.db2.gz IUYYHKHJKRHSLK-UHFFFAOYSA-N 1 0 276.380 2.157 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](O)C(F)(F)F ZINC000865710589 647432464 /nfs/dbraw/zinc/43/24/64/647432464.db2.gz CBZYKNXSRQOMEQ-JOYOIKCWSA-N 1 0 276.302 2.154 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F)OCO2 ZINC000865754683 647452960 /nfs/dbraw/zinc/45/29/60/647452960.db2.gz ZKUHEOLAQIIYRO-HTQZYQBOSA-N 1 0 275.226 2.161 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCCn3nccc32)c1O ZINC000865872933 647515604 /nfs/dbraw/zinc/51/56/04/647515604.db2.gz WYTXFZCCCFTURT-GFCCVEGCSA-N 1 0 273.336 2.222 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H](C)C[C@H](C)O)CC2)cc1 ZINC000783535214 647726239 /nfs/dbraw/zinc/72/62/39/647726239.db2.gz LKXNXNMRCKKNME-KGLIPLIRSA-N 1 0 292.423 2.413 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1OC ZINC000783545870 647728408 /nfs/dbraw/zinc/72/84/08/647728408.db2.gz VAWRVJXROFMYDR-SDDRHHMPSA-N 1 0 295.379 2.407 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCOCC2(CC2)C1 ZINC000783595450 647734778 /nfs/dbraw/zinc/73/47/78/647734778.db2.gz PRBXSSPXJYNAGO-UHFFFAOYSA-N 1 0 263.337 2.013 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](OCCOC)C2)c(O)c1 ZINC000783715217 647750766 /nfs/dbraw/zinc/75/07/66/647750766.db2.gz KQLKZPMWCOTFIL-OAHLLOKOSA-N 1 0 295.379 2.028 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1O ZINC000866463642 647796524 /nfs/dbraw/zinc/79/65/24/647796524.db2.gz OPSFALXZODBGGS-SXMVTHIZSA-N 1 0 293.285 2.363 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H](O)C(F)(F)F ZINC000866466162 647796605 /nfs/dbraw/zinc/79/66/05/647796605.db2.gz YUYLSYJPFRCTQO-VAOFZXAKSA-N 1 0 263.259 2.355 20 10 CECDRO CC[C@@]1(C)C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC000785984555 647975367 /nfs/dbraw/zinc/97/53/67/647975367.db2.gz LLFXIMUEDWFFKJ-HNNXBMFYSA-N 1 0 265.353 2.402 20 10 CECDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1c(O)cccc1Cl ZINC000787423983 648108488 /nfs/dbraw/zinc/10/84/88/648108488.db2.gz OPKQROCPRMGDAK-RBZYPMLTSA-N 1 0 294.782 2.131 20 10 CECDRO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868366659 648109605 /nfs/dbraw/zinc/10/96/05/648109605.db2.gz TZMTXBADJHSHBC-NEPJUHHUSA-N 1 0 279.384 2.093 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCOC(F)(F)F ZINC000788967693 648238659 /nfs/dbraw/zinc/23/86/59/648238659.db2.gz UJAIRFCFSWLGAX-UHFFFAOYSA-N 1 0 265.231 2.027 20 10 CECDRO COCc1ccc(C[NH2+]Cc2ccc(OC)cc2O)o1 ZINC000793388654 648749350 /nfs/dbraw/zinc/74/93/50/648749350.db2.gz QZHUWCNPLJOGIT-UHFFFAOYSA-N 1 0 277.320 2.430 20 10 CECDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CCOC1 ZINC000123251153 648871858 /nfs/dbraw/zinc/87/18/58/648871858.db2.gz PJNYLAHZQKRMEX-CZUORRHYSA-N 1 0 278.396 2.209 20 10 CECDRO COc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)c(O)cc1C ZINC000794666937 648900905 /nfs/dbraw/zinc/90/09/05/648900905.db2.gz LSXWOOOEOZYALH-INIZCTEOSA-N 1 0 279.380 2.446 20 10 CECDRO O=C(CC[NH2+]CC1CC1)NCCCSc1nccs1 ZINC000870886884 648943464 /nfs/dbraw/zinc/94/34/64/648943464.db2.gz UAPKEWOOUOJCMM-UHFFFAOYSA-N 1 0 299.465 2.131 20 10 CECDRO CC[C@H](C(=O)N1Cc2cccc(O)c2C1)[NH+](CC)CC ZINC000871202412 649030547 /nfs/dbraw/zinc/03/05/47/649030547.db2.gz GUOBTLMFZWLXGN-CQSZACIVSA-N 1 0 276.380 2.355 20 10 CECDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202299 649030610 /nfs/dbraw/zinc/03/06/10/649030610.db2.gz CPJKRBHAEDCVBM-TXEJJXNPSA-N 1 0 274.364 2.107 20 10 CECDRO CN(CCC(=O)N1Cc2cccc(O)c2C1)c1cc[nH+]cc1 ZINC000871205284 649032478 /nfs/dbraw/zinc/03/24/78/649032478.db2.gz YJOAFSXLGXWQAR-UHFFFAOYSA-N 1 0 297.358 2.156 20 10 CECDRO C[C@H](NC(=O)C1([NH3+])CCCCC1)c1ccccc1O ZINC000871596255 649115473 /nfs/dbraw/zinc/11/54/73/649115473.db2.gz AGTYZHXSRYSXIM-NSHDSACASA-N 1 0 262.353 2.231 20 10 CECDRO O=C1OCC[C@@H]1CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000872111730 649281283 /nfs/dbraw/zinc/28/12/83/649281283.db2.gz GDWXRHZJCYWRCJ-QWHCGFSZSA-N 1 0 275.348 2.312 20 10 CECDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000124034737 649346741 /nfs/dbraw/zinc/34/67/41/649346741.db2.gz DKWHIFPVTCXPSE-MRXNPFEDSA-N 1 0 295.379 2.398 20 10 CECDRO Oc1cc2c(cc1C[N@H+]1C[C@@H]3CC=CC[C@@H]3C1)[C@@H](O)CO2 ZINC000872713168 649464976 /nfs/dbraw/zinc/46/49/76/649464976.db2.gz LICZAQDQQGYWFG-OZVIIMIRSA-N 1 0 287.359 2.216 20 10 CECDRO CCCOc1ccc(C[NH2+]CCN2CCCC2=O)cc1C ZINC000873132988 649565828 /nfs/dbraw/zinc/56/58/28/649565828.db2.gz LWONBSLSBVWTFG-UHFFFAOYSA-N 1 0 290.407 2.496 20 10 CECDRO [NH3+]C[C@H]1CN(Cc2cccc(F)c2O)C[C@H]1C(F)(F)F ZINC000873226931 649598645 /nfs/dbraw/zinc/59/86/45/649598645.db2.gz ABMHWWKKIKRCJB-VHSXEESVSA-N 1 0 292.276 2.100 20 10 CECDRO Oc1ccc(Cl)cc1CN[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230793 649602639 /nfs/dbraw/zinc/60/26/39/649602639.db2.gz YDPRVNWGZIYVND-UONOGXRCSA-N 1 0 266.772 2.420 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[NH+]1CCCC1 ZINC000874231393 649754840 /nfs/dbraw/zinc/75/48/40/649754840.db2.gz KTKKNHXRYQHNOB-UHFFFAOYSA-N 1 0 289.423 2.197 20 10 CECDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000880437098 651440826 /nfs/dbraw/zinc/44/08/26/651440826.db2.gz GICWJXOPCQFURA-DLBZAZTESA-N 1 0 292.423 2.297 20 10 CECDRO CC[C@H]([NH3+])c1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881377200 651702026 /nfs/dbraw/zinc/70/20/26/651702026.db2.gz IGQOQGUDNXKJSV-ZDUSSCGKSA-N 1 0 273.384 2.111 20 10 CECDRO C[C@@]1(O)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000129477208 651978560 /nfs/dbraw/zinc/97/85/60/651978560.db2.gz GSALAFUXPZSLDJ-CYBMUJFWSA-N 1 0 255.745 2.392 20 10 CECDRO CSCCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000130478578 652266659 /nfs/dbraw/zinc/26/66/59/652266659.db2.gz XCVJEPCJDUVWBA-UHFFFAOYSA-N 1 0 269.366 2.354 20 10 CECDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000130854039 652349198 /nfs/dbraw/zinc/34/91/98/652349198.db2.gz XBMODZUKVDQZFR-SGTLLEGYSA-N 1 0 268.426 2.172 20 10 CECDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000883318148 652430893 /nfs/dbraw/zinc/43/08/93/652430893.db2.gz HHTOTMHDKDTAIL-IYBDPMFKSA-N 1 0 290.407 2.038 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884113679 652713794 /nfs/dbraw/zinc/71/37/94/652713794.db2.gz XLXIBJMMMSXEMS-CQSZACIVSA-N 1 0 290.407 2.376 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])CC2CC2)cc1 ZINC000884193678 652747601 /nfs/dbraw/zinc/74/76/01/652747601.db2.gz MNLUJSCBIZIMPC-INIZCTEOSA-N 1 0 289.423 2.276 20 10 CECDRO C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000884309805 652790789 /nfs/dbraw/zinc/79/07/89/652790789.db2.gz GPVMILVBWSTSQZ-FZMZJTMJSA-N 1 0 294.395 2.212 20 10 CECDRO [NH3+][C@@H](CC1CC1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000884315051 652792477 /nfs/dbraw/zinc/79/24/77/652792477.db2.gz FBCFXGWDPSXPRK-HNNXBMFYSA-N 1 0 288.391 2.015 20 10 CECDRO C[C@@H]([NH2+]CCO)c1cc(Br)cc(Cl)c1[O-] ZINC000134911153 652887416 /nfs/dbraw/zinc/88/74/16/652887416.db2.gz VFPRFTVLSLWCJS-ZCFIWIBFSA-N 1 0 294.576 2.451 20 10 CECDRO COCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000134905751 652887766 /nfs/dbraw/zinc/88/77/66/652887766.db2.gz WRNIAPMNWBLPOD-MRVPVSSYSA-N 1 0 274.158 2.452 20 10 CECDRO COCCOCC[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840945909 806071511 /nfs/dbraw/zinc/07/15/11/806071511.db2.gz AJWBLUCBBVXYLJ-UHFFFAOYSA-N 1 0 280.412 2.156 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@H]3C)CC2)cc1 ZINC000754099997 802562609 /nfs/dbraw/zinc/56/26/09/802562609.db2.gz FNJORMYIRKMSEB-ZIAGYGMSSA-N 1 0 260.381 2.473 20 10 CECDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](O)C1CC1 ZINC001117637662 814934119 /nfs/dbraw/zinc/93/41/19/814934119.db2.gz HDRVWHGMYSQUCP-QGZVFWFLSA-N 1 0 274.408 2.490 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@]2(C)CO)c1O ZINC000723023307 802786268 /nfs/dbraw/zinc/78/62/68/802786268.db2.gz RMPAYJBJSRMIBV-HNNXBMFYSA-N 1 0 281.327 2.081 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)C2(C)CCC2)cc1C ZINC001132455084 812853233 /nfs/dbraw/zinc/85/32/33/812853233.db2.gz RFECTRDMPAHMEI-UHFFFAOYSA-N 1 0 290.407 2.400 20 10 CECDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000588489609 803080154 /nfs/dbraw/zinc/08/01/54/803080154.db2.gz ZUKUVFAVKYBUTE-DLGQBQFBSA-N 1 0 255.745 2.462 20 10 CECDRO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]Cc1ccccc1O ZINC000724920035 803347804 /nfs/dbraw/zinc/34/78/04/803347804.db2.gz CRJYMUZZLIVBFE-ZDUSSCGKSA-N 1 0 292.379 2.491 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(O)c1 ZINC000724814320 803490042 /nfs/dbraw/zinc/49/00/42/803490042.db2.gz NAKPKNHEBWDAEK-DOMZBBRYSA-N 1 0 263.337 2.012 20 10 CECDRO COC[C@@H](CC[NH2+]Cc1c(O)cccc1Cl)OC ZINC000694291218 803527245 /nfs/dbraw/zinc/52/72/45/803527245.db2.gz XFWITMLHWPKTGU-SNVBAGLBSA-N 1 0 273.760 2.187 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccccc1O ZINC000694515734 803559908 /nfs/dbraw/zinc/55/99/08/803559908.db2.gz QUEGGZPVRODAIP-NEPJUHHUSA-N 1 0 283.393 2.010 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccccc1O ZINC000694515736 803559945 /nfs/dbraw/zinc/55/99/45/803559945.db2.gz QUEGGZPVRODAIP-RYUDHWBXSA-N 1 0 283.393 2.010 20 10 CECDRO CCCN(C[C@]1(OC)CCOC1)c1ccc(C[NH3+])cc1 ZINC000692493638 803595960 /nfs/dbraw/zinc/59/59/60/803595960.db2.gz DBMSZGAGHCIONW-MRXNPFEDSA-N 1 0 278.396 2.167 20 10 CECDRO CCCCOC(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162707 803762360 /nfs/dbraw/zinc/76/23/60/803762360.db2.gz ANEOJTMZEKEALU-LBPRGKRZSA-N 1 0 293.363 2.263 20 10 CECDRO NC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001117954018 814968876 /nfs/dbraw/zinc/96/88/76/814968876.db2.gz XFGFHURYQAPGJF-MRXNPFEDSA-N 1 0 259.397 2.114 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)c1 ZINC000722334333 804301805 /nfs/dbraw/zinc/30/18/05/804301805.db2.gz SSPSWAOLPCBCSK-GOEBONIOSA-N 1 0 277.364 2.448 20 10 CECDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1=O ZINC000722361529 804382293 /nfs/dbraw/zinc/38/22/93/804382293.db2.gz MUQVIBMPDBLDLI-TZMCWYRMSA-N 1 0 276.380 2.362 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)C2)cc1Cl ZINC001232270212 807239693 /nfs/dbraw/zinc/23/96/93/807239693.db2.gz YPJQJXXTDZKSTA-CQSZACIVSA-N 1 0 285.771 2.401 20 10 CECDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000699460942 807712479 /nfs/dbraw/zinc/71/24/79/807712479.db2.gz CMTQYQZNNBSGCB-IUODEOHRSA-N 1 0 260.381 2.194 20 10 CECDRO Cc1n[nH]c(=O)c(C[NH2+]Cc2ccc3c(c2)CCCO3)c1C ZINC001119676968 815148843 /nfs/dbraw/zinc/14/88/43/815148843.db2.gz BIAUREKRDFJBIE-UHFFFAOYSA-N 1 0 299.374 2.414 20 10 CECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000716908381 815158905 /nfs/dbraw/zinc/15/89/05/815158905.db2.gz LRBITPRKXDWOAU-TZMCWYRMSA-N 1 0 250.386 2.392 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cncc(OC)c2)c1 ZINC000699791188 807846462 /nfs/dbraw/zinc/84/64/62/807846462.db2.gz YVEUUNOAKHQQFC-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COC[C@H]2C)c1 ZINC000699834566 807865720 /nfs/dbraw/zinc/86/57/20/807865720.db2.gz ITQWYBAWCRTVTA-NRUUGDAUSA-N 1 0 251.326 2.086 20 10 CECDRO CCc1cccc(C[NH2+]C(C)(C)CN(C)C)c1O ZINC000691463896 807890717 /nfs/dbraw/zinc/89/07/17/807890717.db2.gz HCJCAIRMKDGTGU-UHFFFAOYSA-N 1 0 250.386 2.384 20 10 CECDRO CCN(CC[NH2+]C)Cc1ccc(C(F)(F)F)cc1O ZINC001236142209 807996398 /nfs/dbraw/zinc/99/63/98/807996398.db2.gz BFSBHCOFAHSXGS-UHFFFAOYSA-N 1 0 276.302 2.452 20 10 CECDRO CC[C@H]([NH3+])CN(C)Cc1cc(Cl)c(OC)cc1O ZINC001236868353 808180929 /nfs/dbraw/zinc/18/09/29/808180929.db2.gz AZWKDBIFOJDIOO-JTQLQIEISA-N 1 0 272.776 2.223 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1O ZINC001237681069 808239825 /nfs/dbraw/zinc/23/98/25/808239825.db2.gz KXEAJNZBFVZAFS-NEPJUHHUSA-N 1 0 273.735 2.259 20 10 CECDRO Cc1cc(C)c(CN2C[C@@H]([NH3+])CC(F)(F)C2)c(O)c1 ZINC001206139795 815199782 /nfs/dbraw/zinc/19/97/82/815199782.db2.gz QEEWEOWGLKOJHT-NSHDSACASA-N 1 0 270.323 2.177 20 10 CECDRO Nc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1 ZINC001120371221 815217163 /nfs/dbraw/zinc/21/71/63/815217163.db2.gz CERNTGBSDMEBMO-INIZCTEOSA-N 1 0 287.407 2.246 20 10 CECDRO CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC001203556384 808699054 /nfs/dbraw/zinc/69/90/54/808699054.db2.gz OFFAFQYRDDQWKM-CQSZACIVSA-N 1 0 276.380 2.273 20 10 CECDRO COC[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000701016173 809379339 /nfs/dbraw/zinc/37/93/39/809379339.db2.gz VCFMRJQJDZXFIE-QMMMGPOBSA-N 1 0 274.158 2.279 20 10 CECDRO C[NH+]1CCC(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703308028 809641285 /nfs/dbraw/zinc/64/12/85/809641285.db2.gz MBTRQWHDCHCGGM-UHFFFAOYSA-N 1 0 270.323 2.102 20 10 CECDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(N)cc1 ZINC000705161862 809774410 /nfs/dbraw/zinc/77/44/10/809774410.db2.gz HZNCOLUADMMPOF-LBPRGKRZSA-N 1 0 276.384 2.074 20 10 CECDRO Oc1cccc(Br)c1C[N@@H+]1CCCOCC1 ZINC000707134465 809881081 /nfs/dbraw/zinc/88/10/81/809881081.db2.gz GLQSVDUQNSDLLZ-UHFFFAOYSA-N 1 0 286.169 2.377 20 10 CECDRO COc1cccc(C[NH2+]C2CC(SC)C2)c1O ZINC000708311603 809925999 /nfs/dbraw/zinc/92/59/99/809925999.db2.gz UOJJZZNXYUJDMT-UHFFFAOYSA-N 1 0 253.367 2.384 20 10 CECDRO CCc1cccc(C[NH2+]Cc2cnn(CC)c2)c1O ZINC000709448580 809961798 /nfs/dbraw/zinc/96/17/98/809961798.db2.gz ZSYPWWBHKDUSRD-UHFFFAOYSA-N 1 0 259.353 2.461 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)[C@H](CO)SC)c1O ZINC000709456723 809961864 /nfs/dbraw/zinc/96/18/64/809961864.db2.gz SZWLMVMWPYXEKN-MFKMUULPSA-N 1 0 269.410 2.157 20 10 CECDRO COc1c(F)cc(N(CCC[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC001164127405 810299851 /nfs/dbraw/zinc/29/98/51/810299851.db2.gz VJHDKZNRWVPAMQ-UHFFFAOYSA-N 1 0 285.319 2.306 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCOC[C@H]1CCCO1 ZINC000115624998 810620712 /nfs/dbraw/zinc/62/07/12/810620712.db2.gz JCQVURFQQMKGRW-LLVKDONJSA-N 1 0 285.771 2.331 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCCCO2)c(O)c1 ZINC000379242021 810689912 /nfs/dbraw/zinc/68/99/12/810689912.db2.gz XNNLMMFHLWSAPJ-IAQYHMDHSA-N 1 0 265.353 2.448 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCc1nnc3ccccn31)CC2 ZINC000390126106 810745935 /nfs/dbraw/zinc/74/59/35/810745935.db2.gz GHRAQHYKIQDONU-ZDUSSCGKSA-N 1 0 294.358 2.255 20 10 CECDRO COc1cc(Cl)cc(CN2CC[NH2+][C@H](C)[C@H]2C)c1O ZINC000379436601 811032801 /nfs/dbraw/zinc/03/28/01/811032801.db2.gz NIWQTQJGRBGFBX-NXEZZACHSA-N 1 0 284.787 2.236 20 10 CECDRO C[C@@H]1[NH2+]CCN(Cc2cc(Br)ccc2O)[C@H]1C ZINC000379503403 811051058 /nfs/dbraw/zinc/05/10/58/811051058.db2.gz YJPVVQOTXFBZKE-UWVGGRQHSA-N 1 0 299.212 2.337 20 10 CECDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3cccc(O)c3C2)C1 ZINC001169039857 811348573 /nfs/dbraw/zinc/34/85/73/811348573.db2.gz UWXVJXIZSLICMZ-YPMHNXCESA-N 1 0 276.336 2.196 20 10 CECDRO CCc1cccc(C[NH2+]C2CCC(C(N)=O)CC2)c1O ZINC000691459243 811861726 /nfs/dbraw/zinc/86/17/26/811861726.db2.gz IKFKXOZIDKOYIE-UHFFFAOYSA-N 1 0 276.380 2.088 20 10 CECDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000691469696 811901676 /nfs/dbraw/zinc/90/16/76/811901676.db2.gz ZPRJTWIFBUVRQY-GZMMTYOYSA-N 1 0 286.169 2.279 20 10 CECDRO COC(=O)[C@H]1CCC[C@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001172624561 815485960 /nfs/dbraw/zinc/48/59/60/815485960.db2.gz SFWICYQNUZFTLY-KBPBESRZSA-N 1 0 289.375 2.482 20 10 CECDRO COC(=O)N1CCC([NH2+]Cc2c(C)cc(C)cc2O)CC1 ZINC001172734857 815496809 /nfs/dbraw/zinc/49/68/09/815496809.db2.gz WJHLNISBQOIEOI-UHFFFAOYSA-N 1 0 292.379 2.329 20 10 CECDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1(F)F ZINC000689251122 812234774 /nfs/dbraw/zinc/23/47/74/812234774.db2.gz KOJZGQWULNSWGO-LBPRGKRZSA-N 1 0 271.263 2.256 20 10 CECDRO CC[C@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CCO1 ZINC001170171682 812333910 /nfs/dbraw/zinc/33/39/10/812333910.db2.gz YXPZLHGOONKMEN-STQMWFEESA-N 1 0 265.353 2.188 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2O)CC1 ZINC001172791624 815523016 /nfs/dbraw/zinc/52/30/16/815523016.db2.gz MITQGXNRSPFEIB-DGCLKSJQSA-N 1 0 293.363 2.309 20 10 CECDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001172916636 815544878 /nfs/dbraw/zinc/54/48/78/815544878.db2.gz CDGLFLWRFQKIJJ-NEPJUHHUSA-N 1 0 251.326 2.145 20 10 CECDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000385222368 813130969 /nfs/dbraw/zinc/13/09/69/813130969.db2.gz RUIUDOSRHWSCGL-AWEZNQCLSA-N 1 0 292.423 2.162 20 10 CECDRO Oc1ccc(C[NH2+][C@@H]2CCc3ncsc3C2)cc1O ZINC001173130895 815593525 /nfs/dbraw/zinc/59/35/25/815593525.db2.gz YBYCZMZPLIZBON-SNVBAGLBSA-N 1 0 276.361 2.201 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000387939194 813225362 /nfs/dbraw/zinc/22/53/62/813225362.db2.gz CVFUOCIPHFVCQU-INIZCTEOSA-N 1 0 296.370 2.238 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC23CC3)cc1C ZINC001134309455 813249312 /nfs/dbraw/zinc/24/93/12/813249312.db2.gz MMGLXRCTXVFCMM-AWEZNQCLSA-N 1 0 288.391 2.010 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCc1cnccn1)CC2 ZINC000390066237 813259609 /nfs/dbraw/zinc/25/96/09/813259609.db2.gz RSYXKKSTCWWAQW-CYBMUJFWSA-N 1 0 255.321 2.002 20 10 CECDRO C[C@@H]([NH2+]CCc1cnccn1)c1ccc(N(C)C)cc1 ZINC000390245094 813262524 /nfs/dbraw/zinc/26/25/24/813262524.db2.gz VOKTVDIEGYXIJD-CYBMUJFWSA-N 1 0 270.380 2.436 20 10 CECDRO Cc1cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c(O)cc1Br ZINC001206080907 813279411 /nfs/dbraw/zinc/27/94/11/813279411.db2.gz IOSSPYWCGUDDGU-BXKDBHETSA-N 1 0 299.212 2.242 20 10 CECDRO C[C@H](CCO)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000397769723 813637300 /nfs/dbraw/zinc/63/73/00/813637300.db2.gz KQJYXHMNENUURN-HNNXBMFYSA-N 1 0 292.423 2.021 20 10 CECDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000398572649 813677902 /nfs/dbraw/zinc/67/79/02/813677902.db2.gz MDZBRNYBFSBXDH-QGZVFWFLSA-N 1 0 292.423 2.020 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000689656838 813997532 /nfs/dbraw/zinc/99/75/32/813997532.db2.gz VBPYPODOAAAZGP-UHFFFAOYSA-N 1 0 265.328 2.172 20 10 CECDRO Oc1cc(O)c(C[NH+]2CCC(C(F)F)CC2)c(O)c1 ZINC001144514847 814098177 /nfs/dbraw/zinc/09/81/77/814098177.db2.gz UVGOGBDKJVHKBC-UHFFFAOYSA-N 1 0 273.279 2.281 20 10 CECDRO CN(C)c1cc(C[N@H+](C)Cc2ccccc2O)ccn1 ZINC000754066048 814114191 /nfs/dbraw/zinc/11/41/91/814114191.db2.gz KPFAUMIDAWTRGV-UHFFFAOYSA-N 1 0 271.364 2.485 20 10 CECDRO Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)ccn1 ZINC001146680198 814308678 /nfs/dbraw/zinc/30/86/78/814308678.db2.gz ZMOJNPFDPSGFIV-UHFFFAOYSA-N 1 0 283.291 2.227 20 10 CECDRO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2O)CC(F)(F)C1 ZINC001206132017 814619109 /nfs/dbraw/zinc/61/91/09/814619109.db2.gz LWWOAHRYZQPGMB-JTQLQIEISA-N 1 0 276.714 2.214 20 10 CECDRO C[C@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccccc1O ZINC000694778795 814636808 /nfs/dbraw/zinc/63/68/08/814636808.db2.gz YIOUTEFJQHGMPY-RYUDHWBXSA-N 1 0 283.393 2.010 20 10 CECDRO CC[NH+](CC)[C@H]1CCN(Cc2c(O)cccc2F)C1 ZINC001137838730 815695113 /nfs/dbraw/zinc/69/51/13/815695113.db2.gz JFKUOSJZNLZBDU-LBPRGKRZSA-N 1 0 266.360 2.447 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c2ccccc2n1C ZINC001138252836 815754611 /nfs/dbraw/zinc/75/46/11/815754611.db2.gz WHQKDFAOKTXWJG-GDBMZVCRSA-N 1 0 276.355 2.391 20 10 CECDRO Cc1c(C[N@@H+]2CCCN(C)C(=O)C2)c2ccccc2n1C ZINC001138256934 815755749 /nfs/dbraw/zinc/75/57/49/815755749.db2.gz PVOSBNQFAJQDNA-UHFFFAOYSA-N 1 0 285.391 2.151 20 10 CECDRO CC(=O)N1CC[NH+](Cc2c(C)n(C)c3ccccc32)CC1 ZINC001138254048 815756904 /nfs/dbraw/zinc/75/69/04/815756904.db2.gz ORBUSXBNOWXOPY-UHFFFAOYSA-N 1 0 285.391 2.151 20 10 CECDRO Cc1c(C[N@H+]2CCC(=O)N(C)CC2)c2ccccc2n1C ZINC001138257101 815757002 /nfs/dbraw/zinc/75/70/02/815757002.db2.gz WCYOPRLYUYYLMB-UHFFFAOYSA-N 1 0 285.391 2.151 20 10 CECDRO CN1CCCc2cc(CN3[C@@H]4CC[C@H]3C[N@@H+](C)C4)ccc21 ZINC001138357817 815774362 /nfs/dbraw/zinc/77/43/62/815774362.db2.gz LLJZSKZWSXWCQR-CALCHBBNSA-N 1 0 285.435 2.347 20 10 CECDRO CCN(CC)c1ccc(CN2C[C@@H](O)[C@@H](F)C2)c(OC)c1 ZINC001138386025 815784673 /nfs/dbraw/zinc/78/46/73/815784673.db2.gz FAXOEGGKBLKKQY-LSDHHAIUSA-N 1 0 296.386 2.056 20 10 CECDRO CCN(CC)c1ccc(CN2CC[NH+](C)CC2)c(OC)c1 ZINC001138387773 815786659 /nfs/dbraw/zinc/78/66/59/815786659.db2.gz KXYIXXVBDBMUNG-UHFFFAOYSA-N 1 0 291.439 2.289 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CO)C2)c(OC)c1 ZINC001138389310 815786915 /nfs/dbraw/zinc/78/69/15/815786915.db2.gz MAGHERNFZHQUBV-CQSZACIVSA-N 1 0 292.423 2.356 20 10 CECDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138494993 815816472 /nfs/dbraw/zinc/81/64/72/815816472.db2.gz AOIPPCVISLMSNA-UKRRQHHQSA-N 1 0 278.371 2.456 20 10 CECDRO Cc1cc(C[N@@H+]2CCc3c(cnn3C)C2)ccc1N(C)C ZINC001139673216 816075552 /nfs/dbraw/zinc/07/55/52/816075552.db2.gz CZOJTAKDUAAJKP-UHFFFAOYSA-N 1 0 284.407 2.353 20 10 CECDRO Cc1cc(C[N@H+](C)[C@@H]2CCN(C)C2)ccc1N(C)C ZINC001139672802 816076303 /nfs/dbraw/zinc/07/63/03/816076303.db2.gz GIVINCXLRJOFJW-OAHLLOKOSA-N 1 0 261.413 2.197 20 10 CECDRO Oc1ccc(F)cc1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001140054842 816177863 /nfs/dbraw/zinc/17/78/63/816177863.db2.gz YCOJPEBCQRNNMB-UHFFFAOYSA-N 1 0 290.382 2.449 20 10 CECDRO O=C1CC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3O)C2)O1 ZINC001140060303 816181653 /nfs/dbraw/zinc/18/16/53/816181653.db2.gz UTHQBNKTYHKBCI-HNNXBMFYSA-N 1 0 279.311 2.203 20 10 CECDRO CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC001140302025 816227016 /nfs/dbraw/zinc/22/70/16/816227016.db2.gz HSCMZIGWBFDXJI-CALCHBBNSA-N 1 0 285.435 2.280 20 10 CECDRO Oc1cccc(Cl)c1C[NH+]1CC(C2COC2)C1 ZINC001140337898 816237232 /nfs/dbraw/zinc/23/72/32/816237232.db2.gz LWHSCJFCDWSFOJ-UHFFFAOYSA-N 1 0 253.729 2.124 20 10 CECDRO CCOC(=O)CC[N@H+](C)Cc1c(O)cccc1Cl ZINC001140341327 816238513 /nfs/dbraw/zinc/23/85/13/816238513.db2.gz HQPTXRNXGWDSEZ-UHFFFAOYSA-N 1 0 271.744 2.431 20 10 CECDRO CN(CCC[NH+](C)C)Cc1ccc(Cl)cc1O ZINC001140461708 816260064 /nfs/dbraw/zinc/26/00/64/816260064.db2.gz RMGKCOBVROMPNM-UHFFFAOYSA-N 1 0 256.777 2.429 20 10 CECDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140461577 816260089 /nfs/dbraw/zinc/26/00/89/816260089.db2.gz MNOMVCWALSLXOE-KOLCDFICSA-N 1 0 255.745 2.248 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c1 ZINC001140624124 816306219 /nfs/dbraw/zinc/30/62/19/816306219.db2.gz HIXPKEXSQMVNMM-HIFRSBDPSA-N 1 0 288.391 2.143 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(N3CCC3)CC2)c1 ZINC001140624348 816308058 /nfs/dbraw/zinc/30/80/58/816308058.db2.gz SDMJMXXCGCXPSB-UHFFFAOYSA-N 1 0 260.381 2.371 20 10 CECDRO Cc1c(O)ccc(C[N@H+](C)CC2CCOCC2)c1O ZINC001140742418 816338889 /nfs/dbraw/zinc/33/88/89/816338889.db2.gz NSRYSVVPGDCXKC-UHFFFAOYSA-N 1 0 265.353 2.265 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1O ZINC001140747647 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C[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C[C@@H]1O ZINC001141074739 816470578 /nfs/dbraw/zinc/47/05/78/816470578.db2.gz AAELGUBLEAIXDH-GUYCJALGSA-N 1 0 286.419 2.198 20 10 CECDRO CO[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001141159206 816489898 /nfs/dbraw/zinc/48/98/98/816489898.db2.gz CCQGUVMHTIBUCA-ZDUSSCGKSA-N 1 0 251.326 2.099 20 10 CECDRO CCN1CCC([N@H+](C)Cc2cc(O)ccc2O)CC1 ZINC001141159800 816490334 /nfs/dbraw/zinc/49/03/34/816490334.db2.gz KPXKSLIZPMQKMJ-UHFFFAOYSA-N 1 0 264.369 2.014 20 10 CECDRO C[C@@H]1CCN(Cc2cc(F)c(F)cc2O)CCC1=O ZINC001142508880 816677416 /nfs/dbraw/zinc/67/74/16/816677416.db2.gz OTUPBLLWNWBAAB-SECBINFHSA-N 1 0 269.291 2.471 20 10 CECDRO C[N@@H+]1C[C@H]2CCCN(Cc3cc(F)c(F)cc3O)[C@@H]2C1 ZINC001142524798 816681072 /nfs/dbraw/zinc/68/10/72/816681072.db2.gz LCPMBJHCEKICCP-QMTHXVAHSA-N 1 0 282.334 2.196 20 10 CECDRO CCN1CCN(Cc2cccc(C(C)(C)C)c2O)CC1=O ZINC001143112312 816785764 /nfs/dbraw/zinc/78/57/64/816785764.db2.gz PSVAWVSPPTUZCT-UHFFFAOYSA-N 1 0 290.407 2.354 20 10 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RDBCQVOEJZYBHV-HXPMCKFVSA-N 1 0 280.437 2.314 20 10 CECDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000089636715 363986297 /nfs/dbraw/zinc/98/62/97/363986297.db2.gz OSRWJNDJKVYKHV-STQMWFEESA-N 1 0 298.452 2.226 20 10 CECDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(C)ccc3O)[C@H]2C1 ZINC000092097055 364074747 /nfs/dbraw/zinc/07/47/47/364074747.db2.gz XQNCVYVCCLLOJH-VYDXJSESSA-N 1 0 291.391 2.469 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000092648130 364093544 /nfs/dbraw/zinc/09/35/44/364093544.db2.gz YPDZHXZOMOYEKR-UHFFFAOYSA-N 1 0 272.352 2.129 20 10 CECDRO CC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113339279 364889518 /nfs/dbraw/zinc/88/95/18/364889518.db2.gz QUKBEVHOQZYOLW-AWEZNQCLSA-N 1 0 254.349 2.142 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](C)CO)c1O ZINC000169089631 367365248 /nfs/dbraw/zinc/36/52/48/367365248.db2.gz VNQBZCSHNALDRI-IUCAKERBSA-N 1 0 273.760 2.161 20 10 CECDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180021054 368363242 /nfs/dbraw/zinc/36/32/42/368363242.db2.gz JEXAYTBMUXLWHD-GFCCVEGCSA-N 1 0 294.370 2.270 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)NC(C)C)c1 ZINC000181270474 368439094 /nfs/dbraw/zinc/43/90/94/368439094.db2.gz LZTBSKDHTFGJQV-GFCCVEGCSA-N 1 0 264.369 2.266 20 10 CECDRO COCCCN(C)CC[NH2+][C@@H](C)c1ccccc1O ZINC000183531171 368631161 /nfs/dbraw/zinc/63/11/61/368631161.db2.gz DXVHRBXYOAEKHA-ZDUSSCGKSA-N 1 0 266.385 2.011 20 10 CECDRO COC(=O)C1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000188689138 369394968 /nfs/dbraw/zinc/39/49/68/369394968.db2.gz OVKZXQMFHGFMOO-UHFFFAOYSA-N 1 0 299.754 2.097 20 10 CECDRO CCCN1CCCN(Cc2ccc(N(C)C)cc2)CC1=O ZINC000189204189 369475502 /nfs/dbraw/zinc/47/55/02/369475502.db2.gz JKTRALNIEDKAPO-UHFFFAOYSA-N 1 0 289.423 2.197 20 10 CECDRO CC[N@@H+](Cc1cccc(C)c1O)C[C@@H](O)C(F)(F)F ZINC000189862889 369573582 /nfs/dbraw/zinc/57/35/82/369573582.db2.gz APMQVKMEGKVJPN-LLVKDONJSA-N 1 0 277.286 2.446 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c1O ZINC000189951076 369581273 /nfs/dbraw/zinc/58/12/73/369581273.db2.gz PJGPTFHBFWIAQV-WCQYABFASA-N 1 0 265.353 2.042 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000037273388 296147230 /nfs/dbraw/zinc/14/72/30/296147230.db2.gz RQFSOJJWCMUCQC-LSDHHAIUSA-N 1 0 291.439 2.124 20 10 CECDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000191010040 369668211 /nfs/dbraw/zinc/66/82/11/369668211.db2.gz KMLRZAUGXSIUTL-CQSZACIVSA-N 1 0 253.317 2.268 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@@H](C)OC)ccc1OC ZINC000191138133 369683394 /nfs/dbraw/zinc/68/33/94/369683394.db2.gz WZTKACKIPXAYFH-GFCCVEGCSA-N 1 0 267.369 2.356 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCCN(C)C(=O)C2)cc1 ZINC000191669414 369731963 /nfs/dbraw/zinc/73/19/63/369731963.db2.gz NKVZLYLFYAORFD-UHFFFAOYSA-N 1 0 289.423 2.197 20 10 CECDRO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(F)ccc1O ZINC000191674291 369732344 /nfs/dbraw/zinc/73/23/44/369732344.db2.gz MHPRNXJMKIWPBL-DGFSRKRXSA-N 1 0 293.338 2.305 20 10 CECDRO CCN(C(=O)C1=CC[C@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000637909909 370165084 /nfs/dbraw/zinc/16/50/84/370165084.db2.gz VYIYOHZKLZXCSF-LBPRGKRZSA-N 1 0 260.337 2.096 20 10 CECDRO CCc1cccc2c1N(C(=O)C1=CC[C@@H]([NH3+])C1)CC2 ZINC000637965493 370203232 /nfs/dbraw/zinc/20/32/32/370203232.db2.gz SJNMVGVXSVJCHN-CQSZACIVSA-N 1 0 256.349 2.186 20 10 CECDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000267285087 372068249 /nfs/dbraw/zinc/06/82/49/372068249.db2.gz ARKAWQZTMHRCTE-ZIAGYGMSSA-N 1 0 291.395 2.064 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCS(C)(=O)=O)cc1 ZINC000268927606 372290518 /nfs/dbraw/zinc/29/05/18/372290518.db2.gz RXIWMPRTUZKZAU-CYBMUJFWSA-N 1 0 298.452 2.228 20 10 CECDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@]1(O)CCOC1 ZINC000270003974 372632520 /nfs/dbraw/zinc/63/25/20/372632520.db2.gz SFOKLICDZZISQJ-GOSISDBHSA-N 1 0 299.370 2.300 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)cc1 ZINC000271243655 373184021 /nfs/dbraw/zinc/18/40/21/373184021.db2.gz GOKUTTBQEJZCTI-GDBMZVCRSA-N 1 0 262.397 2.345 20 10 CECDRO Oc1ccccc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000271261155 373184078 /nfs/dbraw/zinc/18/40/78/373184078.db2.gz IPYIJNQLLIDNJM-ZYHUDNBSSA-N 1 0 275.270 2.280 20 10 CECDRO Cc1ccc([C@H](O)C[NH2+]Cc2cccc(C)c2O)o1 ZINC000271767647 373200012 /nfs/dbraw/zinc/20/00/12/373200012.db2.gz AVJZSZKOFIZELL-CYBMUJFWSA-N 1 0 261.321 2.425 20 10 CECDRO Oc1ccc(F)cc1CN1CC[NH+](C2CCC2)CC1 ZINC000272236092 373375589 /nfs/dbraw/zinc/37/55/89/373375589.db2.gz FODMEHSFHGONAY-UHFFFAOYSA-N 1 0 264.344 2.201 20 10 CECDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)[nH]1 ZINC000272478893 373509075 /nfs/dbraw/zinc/50/90/75/373509075.db2.gz SLURWOSCHHQNEZ-NSHDSACASA-N 1 0 290.342 2.337 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000272564349 373553104 /nfs/dbraw/zinc/55/31/04/373553104.db2.gz ODCVRBGZTMXTLB-NSHDSACASA-N 1 0 273.384 2.072 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H]1O ZINC000273779463 373770916 /nfs/dbraw/zinc/77/09/16/373770916.db2.gz SLDCAQHWZKBAOH-BXKDBHETSA-N 1 0 285.771 2.257 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc3n2CCC3)c1 ZINC000273382824 373753544 /nfs/dbraw/zinc/75/35/44/373753544.db2.gz IRVJEXFAXWUJOB-NSHDSACASA-N 1 0 272.352 2.089 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc3n2CCC3)c1 ZINC000273382821 373753564 /nfs/dbraw/zinc/75/35/64/373753564.db2.gz IRVJEXFAXWUJOB-LLVKDONJSA-N 1 0 272.352 2.089 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N(C)C)c(O)c1C ZINC000273364179 373753868 /nfs/dbraw/zinc/75/38/68/373753868.db2.gz AXXOQCKIHYFSJW-LBPRGKRZSA-N 1 0 264.369 2.138 20 10 CECDRO C[C@@H](NCc1nncn1C)c1cc(Cl)ccc1O ZINC000273407669 373755849 /nfs/dbraw/zinc/75/58/49/373755849.db2.gz OYAAPHKCTXPDCG-MRVPVSSYSA-N 1 0 266.732 2.025 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1 ZINC000273562959 373765237 /nfs/dbraw/zinc/76/52/37/373765237.db2.gz IQKKBMWVZMSRST-LLVKDONJSA-N 1 0 292.379 2.097 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(Cl)ccc1O ZINC000273595941 373766320 /nfs/dbraw/zinc/76/63/20/373766320.db2.gz QPNKBXPWGRBQPE-VHSXEESVSA-N 1 0 280.759 2.376 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000371884390 373998574 /nfs/dbraw/zinc/99/85/74/373998574.db2.gz PWGDQDYCSPLUEO-GJZGRUSLSA-N 1 0 288.391 2.225 20 10 CECDRO Oc1ccccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000374917367 374636015 /nfs/dbraw/zinc/63/60/15/374636015.db2.gz YBBQKHLZYMPJLS-AWEZNQCLSA-N 1 0 291.391 2.410 20 10 CECDRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC000374678425 374626017 /nfs/dbraw/zinc/62/60/17/374626017.db2.gz KFDNKOJGIMEFCV-MLGOLLRUSA-N 1 0 293.338 2.306 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1O ZINC000375330081 374653406 /nfs/dbraw/zinc/65/34/06/374653406.db2.gz CIBJHTBIYIAQOF-OAHLLOKOSA-N 1 0 277.364 2.402 20 10 CECDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1cccc(Cl)c1[O-])CCO2 ZINC000279702514 374957722 /nfs/dbraw/zinc/95/77/22/374957722.db2.gz RITZWNCYFBFARK-IAQYHMDHSA-N 1 0 297.782 2.425 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)CCOC)cc1F ZINC000282104362 375403109 /nfs/dbraw/zinc/40/31/09/375403109.db2.gz DJCCZXDBTSSRTA-AWEZNQCLSA-N 1 0 298.402 2.159 20 10 CECDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000284951960 375832991 /nfs/dbraw/zinc/83/29/91/375832991.db2.gz HQVLUZOPBYYPDP-AWEZNQCLSA-N 1 0 294.370 2.412 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCNC(=O)C2CC2)c(O)c1 ZINC000285197956 375836645 /nfs/dbraw/zinc/83/66/45/375836645.db2.gz NZURBGWXEHWLNB-GFCCVEGCSA-N 1 0 276.380 2.186 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC2=CCCOC2)c1 ZINC000288352580 376375815 /nfs/dbraw/zinc/37/58/15/376375815.db2.gz CHGJZEWZCUZJGH-UHFFFAOYSA-N 1 0 263.337 2.227 20 10 CECDRO COCC(C)(C)[N@H+](C)Cc1cc(OC)ccc1O ZINC000292781242 377280671 /nfs/dbraw/zinc/28/06/71/377280671.db2.gz LLBBTGQADCKPQE-UHFFFAOYSA-N 1 0 253.342 2.258 20 10 CECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(OC)ccc1O ZINC000293808707 377767440 /nfs/dbraw/zinc/76/74/40/377767440.db2.gz DYESNGWREZUUJP-GFCCVEGCSA-N 1 0 294.395 2.043 20 10 CECDRO COC[C@@]1(C)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000294137811 377916953 /nfs/dbraw/zinc/91/69/53/377916953.db2.gz FZXCCNADWAIVTJ-HNNXBMFYSA-N 1 0 265.353 2.259 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H]2CO)ccc1N(C)C ZINC000294757048 378018410 /nfs/dbraw/zinc/01/84/10/378018410.db2.gz YBTGOTVDDQRGPD-LRDDRELGSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000294804143 378021649 /nfs/dbraw/zinc/02/16/49/378021649.db2.gz PEKPETZJTQNDLP-QWHCGFSZSA-N 1 0 288.391 2.423 20 10 CECDRO CCC[C@H](C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297976248 378691488 /nfs/dbraw/zinc/69/14/88/378691488.db2.gz VTNIBQKXTKWWPM-AWEZNQCLSA-N 1 0 291.439 2.489 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CC1)OCO2 ZINC000363384439 285382087 /nfs/dbraw/zinc/38/20/87/285382087.db2.gz KNEHCSXNIFBABA-GFCCVEGCSA-N 1 0 261.321 2.495 20 10 CECDRO COc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000217896953 394456242 /nfs/dbraw/zinc/45/62/42/394456242.db2.gz LYPJUUAJMZOUJG-KGLIPLIRSA-N 1 0 276.380 2.069 20 10 CECDRO COc1cccc(C[NH2+]CCNC(=O)OC(C)(C)C)c1O ZINC000227600753 394473496 /nfs/dbraw/zinc/47/34/96/394473496.db2.gz NTHMDTBKRYQDSK-UHFFFAOYSA-N 1 0 296.367 2.015 20 10 CECDRO COc1cc(Cl)cc(CN2CCC[N@H+](C)CC2)c1O ZINC000228560967 394475780 /nfs/dbraw/zinc/47/57/80/394475780.db2.gz STRQMIBIYKOJPF-UHFFFAOYSA-N 1 0 284.787 2.192 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1 ZINC000093418581 394666173 /nfs/dbraw/zinc/66/61/73/394666173.db2.gz JRWBECZBIGKORI-RYUDHWBXSA-N 1 0 265.353 2.400 20 10 CECDRO CCOC[C@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093839185 394668630 /nfs/dbraw/zinc/66/86/30/394668630.db2.gz LUNSTJJPPSMMMF-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO CCOc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000093614924 394669498 /nfs/dbraw/zinc/66/94/98/394669498.db2.gz JUYJUIMVTZDTDQ-CABCVRRESA-N 1 0 290.407 2.459 20 10 CECDRO C[C@H](CO)CCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000270311546 394731037 /nfs/dbraw/zinc/73/10/37/394731037.db2.gz VBQMWUXWHOQILL-LBPRGKRZSA-N 1 0 268.376 2.390 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1ccccc1O ZINC000119178365 394765189 /nfs/dbraw/zinc/76/51/89/394765189.db2.gz AKEGKOYMPMGIPQ-QAGHZCBJSA-N 1 0 255.383 2.200 20 10 CECDRO CCOc1cccc(C[N@H+](C)Cc2cnn(C)c2)c1O ZINC000119690126 394771897 /nfs/dbraw/zinc/77/18/97/394771897.db2.gz KDRWHDKYJUYFQN-UHFFFAOYSA-N 1 0 275.352 2.156 20 10 CECDRO CC(C)CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000120950950 394789082 /nfs/dbraw/zinc/78/90/82/394789082.db2.gz JFAFZSVWSKRSEA-ZDUSSCGKSA-N 1 0 293.363 2.368 20 10 CECDRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(F)ccc1O ZINC000360675826 394805747 /nfs/dbraw/zinc/80/57/47/394805747.db2.gz XZLIZXLUKFBKIS-BPNCWPANSA-N 1 0 292.354 2.150 20 10 CECDRO COCCC[N@H+](CCOC)Cc1cccc(C)c1O ZINC000124563017 394838836 /nfs/dbraw/zinc/83/88/36/394838836.db2.gz PMIOVBIGKOYUGZ-UHFFFAOYSA-N 1 0 267.369 2.186 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCCOCC2)c1 ZINC000362368048 394856225 /nfs/dbraw/zinc/85/62/25/394856225.db2.gz HYUDWNLNAYNGCV-UHFFFAOYSA-N 1 0 251.326 2.013 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000132767239 394936963 /nfs/dbraw/zinc/93/69/63/394936963.db2.gz UMEWJXSQKGUFIU-DZGCQCFKSA-N 1 0 263.337 2.154 20 10 CECDRO CCCOc1ccc(C[NH+](CCOC)CCOC)c(O)c1 ZINC000133421382 394951217 /nfs/dbraw/zinc/95/12/17/394951217.db2.gz RHMRGNGWCWZECW-UHFFFAOYSA-N 1 0 297.395 2.276 20 10 CECDRO CN(C)c1ccc(C2=CC[N@H+](C[C@@H]3CCOC3)C2)cc1 ZINC000373122589 395055038 /nfs/dbraw/zinc/05/50/38/395055038.db2.gz GFIOCHQKPXNSLA-AWEZNQCLSA-N 1 0 272.392 2.488 20 10 CECDRO O[C@@H]1c2ccccc2OC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000288528426 395062339 /nfs/dbraw/zinc/06/23/39/395062339.db2.gz JYASRZLQXVCRQN-MAUKXSAKSA-N 1 0 297.354 2.206 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)c1 ZINC000168839988 395089166 /nfs/dbraw/zinc/08/91/66/395089166.db2.gz RCYJNUVGLHCXJD-ZHYXMNDGSA-N 1 0 285.409 2.209 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1F ZINC000372738993 395045729 /nfs/dbraw/zinc/04/57/29/395045729.db2.gz HTXQBLCWGSATIT-ZDUSSCGKSA-N 1 0 288.370 2.262 20 10 CECDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182343887 395240186 /nfs/dbraw/zinc/24/01/86/395240186.db2.gz AUGLUFIVAZOBOG-SDDRHHMPSA-N 1 0 294.395 2.355 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCC(=O)OC(C)(C)C)c1 ZINC000182445127 395241827 /nfs/dbraw/zinc/24/18/27/395241827.db2.gz CRGWDLPNORBIIV-UHFFFAOYSA-N 1 0 281.352 2.222 20 10 CECDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293653569 395244693 /nfs/dbraw/zinc/24/46/93/395244693.db2.gz ISOPEZIACHNJDO-QWHCGFSZSA-N 1 0 267.369 2.057 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c(O)c1C ZINC000293708273 395248308 /nfs/dbraw/zinc/24/83/08/395248308.db2.gz MPGWQZJPEGYWMK-MCIONIFRSA-N 1 0 279.380 2.200 20 10 CECDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000179553094 395195264 /nfs/dbraw/zinc/19/52/64/395195264.db2.gz AZKUDQCVAGPEOM-AWEZNQCLSA-N 1 0 297.420 2.181 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292930235 395210338 /nfs/dbraw/zinc/21/03/38/395210338.db2.gz HUFQCJYKCXIEJB-UHFFFAOYSA-N 1 0 267.279 2.144 20 10 CECDRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccccc1O ZINC000183512739 395257921 /nfs/dbraw/zinc/25/79/21/395257921.db2.gz NBGJSVQJRRBPCL-ZDUSSCGKSA-N 1 0 278.396 2.154 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCN1CCSCC1)CC2 ZINC000297493334 395342400 /nfs/dbraw/zinc/34/24/00/395342400.db2.gz BNGLPMAYJMJVOM-CYBMUJFWSA-N 1 0 278.421 2.018 20 10 CECDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000193439783 395407779 /nfs/dbraw/zinc/40/77/79/395407779.db2.gz NFULROIQMQAFPB-CZUORRHYSA-N 1 0 262.397 2.488 20 10 CECDRO CC[C@H]([NH2+]CCCN1CCOCC1)c1ccccc1O ZINC000020141816 171028664 /nfs/dbraw/zinc/02/86/64/171028664.db2.gz WZCBDDVJUVXCRU-HNNXBMFYSA-N 1 0 278.396 2.155 20 10 CECDRO C[C@H](C(=O)Nc1ccc(N)cc1)[NH+]1CCCCCC1 ZINC000022154970 171361769 /nfs/dbraw/zinc/36/17/69/171361769.db2.gz BRXKFGOMAPZCNV-GFCCVEGCSA-N 1 0 261.369 2.472 20 10 CECDRO CCOc1cccc(C[NH2+]CC[C@H]2CCCO2)c1O ZINC000038095461 174109572 /nfs/dbraw/zinc/10/95/72/174109572.db2.gz GNBPLEFWJAJUGL-CYBMUJFWSA-N 1 0 265.353 2.450 20 10 CECDRO COc1cc(Cl)cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000221372275 419467424 /nfs/dbraw/zinc/46/74/24/419467424.db2.gz KIJWIQWICRDDJZ-GXFFZTMASA-N 1 0 296.798 2.238 20 10 CECDRO CC(=O)c1cc(F)cc(CN2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000090906622 260263734 /nfs/dbraw/zinc/26/37/34/260263734.db2.gz MDHSSOJYOLDTPN-BETUJISGSA-N 1 0 279.311 2.097 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1O ZINC000128219377 260373575 /nfs/dbraw/zinc/37/35/75/260373575.db2.gz PLNOHVBZBSVPQD-RYUDHWBXSA-N 1 0 285.771 2.303 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)CO)cc1 ZINC000151726637 261055063 /nfs/dbraw/zinc/05/50/63/261055063.db2.gz ODLNYJAEZWABNF-OLZOCXBDSA-N 1 0 250.386 2.422 20 10 CECDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000164322137 261347998 /nfs/dbraw/zinc/34/79/98/261347998.db2.gz KADQILYULBMEFG-DTWKUNHWSA-N 1 0 288.185 2.261 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000183838122 261503170 /nfs/dbraw/zinc/50/31/70/261503170.db2.gz DXGCDLANVUSYNQ-GFCCVEGCSA-N 1 0 277.412 2.175 20 10 CECDRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1cc(F)ccc1O ZINC000185333041 262050839 /nfs/dbraw/zinc/05/08/39/262050839.db2.gz OQWUJTRYUDKQNB-SNVBAGLBSA-N 1 0 282.315 2.024 20 10 CECDRO C[C@@H]([NH2+]CCN1CCOCC1(C)C)c1cc(F)ccc1O ZINC000185334157 262050888 /nfs/dbraw/zinc/05/08/88/262050888.db2.gz FXZXWEIGLXDHSB-GFCCVEGCSA-N 1 0 296.386 2.293 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CO[C@H]2CCOC2)c1 ZINC000185673415 262065008 /nfs/dbraw/zinc/06/50/08/262065008.db2.gz CFPTUJKDTYMSCH-OBJOEFQTSA-N 1 0 295.379 2.245 20 10 CECDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000186354026 262090077 /nfs/dbraw/zinc/09/00/77/262090077.db2.gz KBMVIXZCCCVLQO-NSHDSACASA-N 1 0 294.395 2.214 20 10 CECDRO C[C@@H]([NH2+]CCCOCCO)c1cc(Cl)ccc1O ZINC000186513888 262096478 /nfs/dbraw/zinc/09/64/78/262096478.db2.gz HDQUITMSZLWVKY-SNVBAGLBSA-N 1 0 273.760 2.095 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000311018955 262189477 /nfs/dbraw/zinc/18/94/77/262189477.db2.gz YSBAGUWVARJXJH-AWEZNQCLSA-N 1 0 251.301 2.286 20 10 CECDRO COc1ccc(O)c(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000289876193 263112465 /nfs/dbraw/zinc/11/24/65/263112465.db2.gz VXVMYJCLFSCHNP-UKRRQHHQSA-N 1 0 290.407 2.459 20 10 CECDRO Cc1cc(C[NH+]2CCC(C)(O)CC2)ccc1N(C)C ZINC000292771028 263134760 /nfs/dbraw/zinc/13/47/60/263134760.db2.gz JRVMHBWLRHJHIB-UHFFFAOYSA-N 1 0 262.397 2.408 20 10 CECDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(F)ccc1O ZINC000293951509 264990185 /nfs/dbraw/zinc/99/01/85/264990185.db2.gz IUQOZPNDBNFQRZ-HZMBPMFUSA-N 1 0 253.317 2.172 20 10 CECDRO Nc1ccc(CC(=O)Nc2cccc3c2C[NH2+]CC3)cc1 ZINC000367507512 267094973 /nfs/dbraw/zinc/09/49/73/267094973.db2.gz MOYZCJHMAGTYKB-UHFFFAOYSA-N 1 0 281.359 2.096 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c(O)c1 ZINC000368334608 267163647 /nfs/dbraw/zinc/16/36/47/267163647.db2.gz WEOLCEVXZKTLFZ-DZGCQCFKSA-N 1 0 290.407 2.214 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000368888333 267211618 /nfs/dbraw/zinc/21/16/18/267211618.db2.gz LUIBIFNTTNMVJG-INIZCTEOSA-N 1 0 277.364 2.402 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000369925695 267276966 /nfs/dbraw/zinc/27/69/66/267276966.db2.gz XBGSCINSGFVKPA-OCCSQVGLSA-N 1 0 272.352 2.382 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1C ZINC000377272321 268062796 /nfs/dbraw/zinc/06/27/96/268062796.db2.gz BLQAYBTWSHZDKF-YOEHRIQHSA-N 1 0 291.391 2.389 20 10 CECDRO CC(C)(C[NH2+][C@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000295829027 275549832 /nfs/dbraw/zinc/54/98/32/275549832.db2.gz DVMMAGBXRQTERY-AWEZNQCLSA-N 1 0 290.407 2.080 20 10 CECDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)[C@H](O)C(F)(F)F ZINC000271767594 288050742 /nfs/dbraw/zinc/05/07/42/288050742.db2.gz ATHKFBSDFUCPKD-JQWIXIFHSA-N 1 0 277.286 2.492 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(=O)N(C)C)cc1 ZINC000036793874 279170118 /nfs/dbraw/zinc/17/01/18/279170118.db2.gz NIKSVSSCEVJWCN-ZDUSSCGKSA-N 1 0 277.412 2.099 20 10 CECDRO CC[C@@H](C(=O)NCc1cccc(OC)c1O)[NH+](CC)CC ZINC000269173313 280079232 /nfs/dbraw/zinc/07/92/32/280079232.db2.gz IUJQPHLDZBEKJM-ZDUSSCGKSA-N 1 0 294.395 2.137 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](O)C(F)F ZINC000294972033 280190798 /nfs/dbraw/zinc/19/07/98/280190798.db2.gz FUPRPSJYJNTSLK-CHWSQXEVSA-N 1 0 272.339 2.247 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1O ZINC000163076228 327706243 /nfs/dbraw/zinc/70/62/43/327706243.db2.gz QPLCXMDQVCOHQC-GXSJLCMTSA-N 1 0 281.327 2.249 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1O ZINC000279741582 328233317 /nfs/dbraw/zinc/23/33/17/328233317.db2.gz XJGXBKJVVDGESG-OAHLLOKOSA-N 1 0 265.353 2.138 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)C(C)C)c1 ZINC000092392628 327193752 /nfs/dbraw/zinc/19/37/52/327193752.db2.gz KAHIZZJDQHESCO-ZWNOBZJWSA-N 1 0 253.342 2.068 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000377622669 329021347 /nfs/dbraw/zinc/02/13/47/329021347.db2.gz IJDHETJJZDLGGF-CJNGLKHVSA-N 1 0 274.364 2.055 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)ccc2O)CC1(C)C ZINC000378440542 329050255 /nfs/dbraw/zinc/05/02/55/329050255.db2.gz BVHZPQKQZCUWSP-CYBMUJFWSA-N 1 0 293.363 2.032 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H]3CCN(C)[C@@H]3C2)c1 ZINC000378474282 329052086 /nfs/dbraw/zinc/05/20/86/329052086.db2.gz MQWNLHDTQMKYOF-UKRRQHHQSA-N 1 0 260.381 2.227 20 10 CECDRO CSC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000193650622 329060465 /nfs/dbraw/zinc/06/04/65/329060465.db2.gz PIRRCRLZLVVXDA-UHFFFAOYSA-N 1 0 281.377 2.496 20 10 CECDRO Oc1ccccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000360013327 329069805 /nfs/dbraw/zinc/06/98/05/329069805.db2.gz FURSRRCYQKJQAT-UHFFFAOYSA-N 1 0 257.337 2.495 20 10 CECDRO C[C@@H]1CN(C2CC[NH+](Cc3ccccc3O)CC2)CCO1 ZINC000179562862 329209812 /nfs/dbraw/zinc/20/98/12/329209812.db2.gz CNCVLQZUBVBQTF-CQSZACIVSA-N 1 0 290.407 2.077 20 10 CECDRO CC(C)[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000179914995 329213531 /nfs/dbraw/zinc/21/35/31/329213531.db2.gz LRMNXDYMASHSJV-UHFFFAOYSA-N 1 0 252.333 2.057 20 10 CECDRO C[C@H](CC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124755913 329573596 /nfs/dbraw/zinc/57/35/96/329573596.db2.gz SYLXHFHRYHNUMS-SNVBAGLBSA-N 1 0 256.777 2.475 20 10 CECDRO c1cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc2c1OCC2 ZINC000250076172 329914473 /nfs/dbraw/zinc/91/44/73/329914473.db2.gz OPDQTULPMKZUNT-LZWOXQAQSA-N 1 0 259.349 2.279 20 10 CECDRO CCn1ncc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)n1 ZINC000527925564 330296447 /nfs/dbraw/zinc/29/64/47/330296447.db2.gz VEQAHRBJGFAFMH-LBPRGKRZSA-N 1 0 274.368 2.471 20 10 CECDRO C[C@H]([NH2+]CC1COC1)c1ccc(Br)cc1O ZINC000528023447 330304758 /nfs/dbraw/zinc/30/47/58/330304758.db2.gz DEAFGBSANFNNGT-QMMMGPOBSA-N 1 0 286.169 2.452 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CC2COC2)c2c1c(F)ccc2O ZINC000528027500 330305152 /nfs/dbraw/zinc/30/51/52/330305152.db2.gz UHEQOVOCMINOIV-LDYMZIIASA-N 1 0 251.301 2.316 20 10 CECDRO COCC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000081708024 330352120 /nfs/dbraw/zinc/35/21/20/330352120.db2.gz NBIWOEVZHJPEJJ-QWRGUYRKSA-N 1 0 253.342 2.476 20 10 CECDRO C[NH+](C)CCN(C(=O)/C=C\c1cnccn1)c1ccccc1 ZINC000491280764 332180467 /nfs/dbraw/zinc/18/04/67/332180467.db2.gz ZAPXRWICWRNHMY-HJWRWDBZSA-N 1 0 296.374 2.085 20 10 CECDRO CC[C@H](C)[N@H+](C)CCNCc1ccc2c(c1)CCO2 ZINC000217393709 333120827 /nfs/dbraw/zinc/12/08/27/333120827.db2.gz XUIRBWGNNFFWMF-ZDUSSCGKSA-N 1 0 262.397 2.441 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c1O ZINC000227057922 333275424 /nfs/dbraw/zinc/27/54/24/333275424.db2.gz VBZBHVZEULKVDE-XPTSAGLGSA-N 1 0 297.782 2.451 20 10 CECDRO Cc1nc(CC[NH2+]Cc2cc3c(cc2O)OCO3)cs1 ZINC000227436688 333282872 /nfs/dbraw/zinc/28/28/72/333282872.db2.gz HUWZKKRGISWEMN-UHFFFAOYSA-N 1 0 292.360 2.218 20 10 CECDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)OC ZINC000227712559 333287529 /nfs/dbraw/zinc/28/75/29/333287529.db2.gz DHZMEYPZPCAQKT-IUODEOHRSA-N 1 0 266.385 2.065 20 10 CECDRO CCC[C@H](CCO)C[NH2+]Cc1cccc(OC)c1O ZINC000231391936 333324708 /nfs/dbraw/zinc/32/47/08/333324708.db2.gz FDTGMITVKDLDDA-GFCCVEGCSA-N 1 0 267.369 2.289 20 10 CECDRO C[C@H]([NH2+]CCCO)c1cc(Br)ccc1O ZINC000134903663 334107477 /nfs/dbraw/zinc/10/74/77/334107477.db2.gz XTWPUYIDDDCEKJ-QMMMGPOBSA-N 1 0 274.158 2.188 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)C(C)(C)O)c1 ZINC000292933335 521155376 /nfs/dbraw/zinc/15/53/76/521155376.db2.gz HCVQOBPZKSEOOX-AWEZNQCLSA-N 1 0 267.369 2.430 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1O ZINC000365840124 521344472 /nfs/dbraw/zinc/34/44/72/521344472.db2.gz XCLIBDNFBMAOBG-CQSZACIVSA-N 1 0 287.363 2.434 20 10 CECDRO CCC[N@H+](CCCS(C)(=O)=O)Cc1ccccc1O ZINC000103142237 521653195 /nfs/dbraw/zinc/65/31/95/521653195.db2.gz XKEUXTRTPKUTKL-UHFFFAOYSA-N 1 0 285.409 2.039 20 10 CECDRO CCC[N@H+](CCO)Cc1cc(Br)ccc1O ZINC000128025828 521667235 /nfs/dbraw/zinc/66/72/35/521667235.db2.gz MVYJSEZYWGCOMZ-UHFFFAOYSA-N 1 0 288.185 2.359 20 10 CECDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C(C)C ZINC000293083403 521744521 /nfs/dbraw/zinc/74/45/21/521744521.db2.gz WIBQWXKSIRAOLG-HNNXBMFYSA-N 1 0 278.396 2.254 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1F ZINC000289929553 522172465 /nfs/dbraw/zinc/17/24/65/522172465.db2.gz XVNRSYVSGMDUCI-HUUCEWRRSA-N 1 0 266.360 2.237 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1F ZINC000292687978 522182519 /nfs/dbraw/zinc/18/25/19/522182519.db2.gz BCWAGAMQYCTSJJ-QGZVFWFLSA-N 1 0 291.414 2.419 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(C)cc1O ZINC000280888531 522609116 /nfs/dbraw/zinc/60/91/16/522609116.db2.gz OVYRROWTAUOJKB-DZKIICNBSA-N 1 0 293.407 2.386 20 10 CECDRO CC[C@H]([NH2+][C@H](C)Cn1cncn1)c1ccc(C)cc1O ZINC000280263812 522737097 /nfs/dbraw/zinc/73/70/97/522737097.db2.gz XJJHEXLGXUUGKH-OCCSQVGLSA-N 1 0 274.368 2.422 20 10 CECDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000290224471 524010513 /nfs/dbraw/zinc/01/05/13/524010513.db2.gz RDOSLZQSGANYEM-PJQXDXOGSA-N 1 0 291.391 2.335 20 10 CECDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000290062650 524080287 /nfs/dbraw/zinc/08/02/87/524080287.db2.gz FIBLQRZQKHLQJU-CQSZACIVSA-N 1 0 292.379 2.411 20 10 CECDRO C[C@H](CNC(=O)Cc1ccc(N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000262076003 524388039 /nfs/dbraw/zinc/38/80/39/524388039.db2.gz AEQDWMSFTBERDZ-UONOGXRCSA-N 1 0 289.423 2.048 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)CCCn2ccnc2C)c1 ZINC000290645721 524735287 /nfs/dbraw/zinc/73/52/87/524735287.db2.gz YVLPSXXIEILCCG-UHFFFAOYSA-N 1 0 289.379 2.428 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1O ZINC000280236227 524864284 /nfs/dbraw/zinc/86/42/84/524864284.db2.gz KEHWMZBPRHDXGX-CQSZACIVSA-N 1 0 282.771 2.051 20 10 CECDRO C[C@H]1OCC[C@]12C[N@H+](Cc1ccccc1O)C[C@@H](C)O2 ZINC000280570363 525058282 /nfs/dbraw/zinc/05/82/82/525058282.db2.gz VSUIHONQSOKDCM-IOASZLSFSA-N 1 0 277.364 2.161 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291365107 525342324 /nfs/dbraw/zinc/34/23/24/525342324.db2.gz YTNDXKRBFDHSMX-CQSZACIVSA-N 1 0 257.337 2.344 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC2([S@@](C)=O)CCC2)c1 ZINC000280642429 525346743 /nfs/dbraw/zinc/34/67/43/525346743.db2.gz NFXQAQAWICJYJW-GOSISDBHSA-N 1 0 267.394 2.091 20 10 CECDRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000280921510 525378632 /nfs/dbraw/zinc/37/86/32/525378632.db2.gz RCYZBFNLHJYTIC-SRVKXCTJSA-N 1 0 299.798 2.341 20 10 CECDRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000037740511 525455322 /nfs/dbraw/zinc/45/53/22/525455322.db2.gz UKWAIRZCSCRLFB-LLVKDONJSA-N 1 0 293.388 2.241 20 10 CECDRO C[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc2ccccc2c1O ZINC000050394345 525607628 /nfs/dbraw/zinc/60/76/28/525607628.db2.gz DADBNXMWLUKFCY-NHYWBVRUSA-N 1 0 284.359 2.475 20 10 CECDRO CSC[C@@](C)(O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000266168139 525662433 /nfs/dbraw/zinc/66/24/33/525662433.db2.gz QCUSGXOKOLPNNU-AWEZNQCLSA-N 1 0 269.410 2.213 20 10 CECDRO Cc1ccc([C@@H]([NH3+])C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000280810369 525766565 /nfs/dbraw/zinc/76/65/65/525766565.db2.gz VRGOONWPYFXWCX-QGZVFWFLSA-N 1 0 297.402 2.377 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)c1O ZINC000036996876 526039528 /nfs/dbraw/zinc/03/95/28/526039528.db2.gz APYQPDQAFWCJKL-UONOGXRCSA-N 1 0 276.380 2.117 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252700976 526365979 /nfs/dbraw/zinc/36/59/79/526365979.db2.gz BTMQTWASQSKEFP-MGCOHNPYSA-N 1 0 255.745 2.439 20 10 CECDRO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000020140366 526429290 /nfs/dbraw/zinc/42/92/90/526429290.db2.gz BFJPXIJAQNCJBP-UHFFFAOYSA-N 1 0 283.375 2.208 20 10 CECDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccccc1O ZINC000280048288 527330056 /nfs/dbraw/zinc/33/00/56/527330056.db2.gz JIYMEQONXUHOMT-ZDUSSCGKSA-N 1 0 257.337 2.293 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2ccc(CC(N)=O)cc2)cc1 ZINC000727463960 574451688 /nfs/dbraw/zinc/45/16/88/574451688.db2.gz JAADNBNVJDHZFI-UHFFFAOYSA-N 1 0 297.402 2.070 20 10 CECDRO CC[N@H+](CCNC(=O)N1Cc2cccc(O)c2C1)C(C)C ZINC000875211492 649893623 /nfs/dbraw/zinc/89/36/23/649893623.db2.gz QWUXWBIGBMTKDT-UHFFFAOYSA-N 1 0 291.395 2.148 20 10 CECDRO CC1CC[NH+](CCCNC(=O)C2=CC(=O)CS2)CC1 ZINC000731865508 574604261 /nfs/dbraw/zinc/60/42/61/574604261.db2.gz LTAAPQKUSPVQLC-UHFFFAOYSA-N 1 0 282.409 2.306 20 10 CECDRO C[C@@H](CNC(=O)C1=CC(=O)CS1)[NH+]1CCC(C)CC1 ZINC000731871421 574604539 /nfs/dbraw/zinc/60/45/39/574604539.db2.gz KBBUMTBZVLPFSN-NSHDSACASA-N 1 0 282.409 2.304 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H](OC)C(F)(F)F)c1O ZINC000733330021 574665045 /nfs/dbraw/zinc/66/50/45/574665045.db2.gz OIBCEGHKNGPTPF-NSHDSACASA-N 1 0 293.285 2.458 20 10 CECDRO CCOC[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000733609803 574682826 /nfs/dbraw/zinc/68/28/26/574682826.db2.gz LSRHWUZZXSBYPZ-QGZVFWFLSA-N 1 0 294.439 2.360 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1C ZINC000742392552 575019742 /nfs/dbraw/zinc/01/97/42/575019742.db2.gz QPKMECXAPRPNCZ-GLQYFDAESA-N 1 0 288.391 2.103 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCCNc1ncccn1 ZINC000751507071 575290628 /nfs/dbraw/zinc/29/06/28/575290628.db2.gz RNVQNIVVAQNRNS-UHFFFAOYSA-N 1 0 292.770 2.427 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cc(F)ccc1O ZINC000252812388 622588242 /nfs/dbraw/zinc/58/82/42/622588242.db2.gz QAOVZRXWJQODNC-YUSALJHKSA-N 1 0 253.317 2.485 20 10 CECDRO CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1O)[NH+](C)C ZINC000890760564 622931582 /nfs/dbraw/zinc/93/15/82/622931582.db2.gz TYFIEDBFSAHMRQ-LBPRGKRZSA-N 1 0 284.787 2.248 20 10 CECDRO C[C@@H](NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000891981520 624226227 /nfs/dbraw/zinc/22/62/27/624226227.db2.gz LNIDZYWCTMKIFJ-UPJWGTAASA-N 1 0 291.395 2.141 20 10 CECDRO C[C@H](CCCC[NH3+])NC(=O)N[C@H](C)c1ccccc1O ZINC000892134965 624344364 /nfs/dbraw/zinc/34/43/64/624344364.db2.gz PIXULAZMYAKCOJ-VXGBXAGGSA-N 1 0 279.384 2.270 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]Cc2cncn2C)c1O ZINC000291545325 625277242 /nfs/dbraw/zinc/27/72/42/625277242.db2.gz LRCYAFFQPOUMAI-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO CCC[C@](C)(CO)[NH2+]Cc1cc(OCC)ccc1O ZINC000177582342 625778185 /nfs/dbraw/zinc/77/81/85/625778185.db2.gz XUUOKCWJUQYDFW-OAHLLOKOSA-N 1 0 267.369 2.432 20 10 CECDRO COCCOC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000892733850 627735373 /nfs/dbraw/zinc/73/53/73/627735373.db2.gz UXFMPGZNPAXSQU-CQSZACIVSA-N 1 0 292.423 2.210 20 10 CECDRO C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CC(O)C1 ZINC000294652508 627904443 /nfs/dbraw/zinc/90/44/43/627904443.db2.gz KYDOPBLMCDWLHC-UHFFFAOYSA-N 1 0 273.735 2.387 20 10 CECDRO CC[C@H](O)CCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893019498 627947743 /nfs/dbraw/zinc/94/77/43/627947743.db2.gz TWSMJODEXHLDAT-LBPRGKRZSA-N 1 0 283.368 2.050 20 10 CECDRO CC(=O)OC[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000893045790 627965959 /nfs/dbraw/zinc/96/59/59/627965959.db2.gz XSUWYEWZRMCSKS-SECBINFHSA-N 1 0 274.411 2.167 20 10 CECDRO CC[C@@H]([NH2+]CCCn1ccnn1)c1ccc(N(C)C)cc1 ZINC000184269687 628202577 /nfs/dbraw/zinc/20/25/77/628202577.db2.gz HVLOCOHMQRJKRW-MRXNPFEDSA-N 1 0 287.411 2.475 20 10 CECDRO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185330479 628228000 /nfs/dbraw/zinc/22/80/00/628228000.db2.gz ATHOBWJJPVMVBB-TZMCWYRMSA-N 1 0 296.386 2.293 20 10 CECDRO CC(C)[N@H+](C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775409334 628261787 /nfs/dbraw/zinc/26/17/87/628261787.db2.gz FMWLVVHFCZNKPN-ZDUSSCGKSA-N 1 0 277.412 2.270 20 10 CECDRO COc1ccc(C[NH2+][C@]2(C)CCCOC2)c(O)c1OC ZINC000893392446 628550150 /nfs/dbraw/zinc/55/01/50/628550150.db2.gz HSAWPINVKKHWAJ-OAHLLOKOSA-N 1 0 281.352 2.068 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2COCC2(C)C)c1O ZINC000313067870 628577976 /nfs/dbraw/zinc/57/79/76/628577976.db2.gz WEFHHRSHZJOQHH-ZDUSSCGKSA-N 1 0 265.353 2.306 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)N(C(C)=O)C2)cc1C ZINC000980276911 628771192 /nfs/dbraw/zinc/77/11/92/628771192.db2.gz YSSRCMMPMXLMMD-BBRMVZONSA-N 1 0 290.407 2.350 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCSC2)c(O)c1OC ZINC000894120683 629141064 /nfs/dbraw/zinc/14/10/64/629141064.db2.gz RSDHIPDMHHKPRP-SNVBAGLBSA-N 1 0 283.393 2.252 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)CC(C)C)c1O ZINC000894211426 629229404 /nfs/dbraw/zinc/22/94/04/629229404.db2.gz PNPDEKXDPDFYLN-ZDUSSCGKSA-N 1 0 267.369 2.206 20 10 CECDRO COCC(C)(C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894217487 629232804 /nfs/dbraw/zinc/23/28/04/629232804.db2.gz ADQGHFZQCWCUIW-UHFFFAOYSA-N 1 0 253.342 2.224 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(C)cc1O ZINC000794819666 629328515 /nfs/dbraw/zinc/32/85/15/629328515.db2.gz XBGHBDVXSJFHAL-YPMHNXCESA-N 1 0 285.409 2.174 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCOC[C@H]2C)c(O)c1OC ZINC000894419503 629451270 /nfs/dbraw/zinc/45/12/70/629451270.db2.gz GIIFFYMBTLCSCB-VXGBXAGGSA-N 1 0 295.379 2.172 20 10 CECDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894453545 629467426 /nfs/dbraw/zinc/46/74/26/629467426.db2.gz HLXUNLWBOCWVCU-VXGBXAGGSA-N 1 0 295.379 2.387 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C1OCCO1)CCC2 ZINC000902622526 634749186 /nfs/dbraw/zinc/74/91/86/634749186.db2.gz NCXXYCMNZKIHAJ-HNNXBMFYSA-N 1 0 289.375 2.218 20 10 CECDRO COc1ccc(C[NH2+]CC(C)(C)C(C)(C)O)c(O)c1OC ZINC000894772878 629627791 /nfs/dbraw/zinc/62/77/91/629627791.db2.gz FGDCFCMTUHHVRE-UHFFFAOYSA-N 1 0 297.395 2.296 20 10 CECDRO COc1cc(C)cc(C[N@@H+](C)[C@H]2CC[C@H]2OC)c1O ZINC000902635847 634755654 /nfs/dbraw/zinc/75/56/54/634755654.db2.gz CKQXIVCMGSVEFT-QWHCGFSZSA-N 1 0 265.353 2.318 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H](OC)C2CC2)c1O ZINC000894861225 629698514 /nfs/dbraw/zinc/69/85/14/629698514.db2.gz BZKSFIFLYHMHSU-AWEZNQCLSA-N 1 0 265.353 2.224 20 10 CECDRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(O)c1OC ZINC000894867745 629705687 /nfs/dbraw/zinc/70/56/87/629705687.db2.gz YRIQADJIOCOUPM-QWRGUYRKSA-N 1 0 281.377 2.099 20 10 CECDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895111606 629910845 /nfs/dbraw/zinc/91/08/45/629910845.db2.gz GUCJLZQJLMQMNN-DGCLKSJQSA-N 1 0 297.395 2.296 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000796497694 629919426 /nfs/dbraw/zinc/91/94/26/629919426.db2.gz ODAOFKPHYRACIQ-NWDGAFQWSA-N 1 0 265.353 2.163 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H](CC)C(=O)OC)c(O)c1 ZINC000895119889 629922720 /nfs/dbraw/zinc/92/27/20/629922720.db2.gz IQSQURPJSGPWJR-NSHDSACASA-N 1 0 281.352 2.080 20 10 CECDRO COCC1(C[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000895185574 630018766 /nfs/dbraw/zinc/01/87/66/630018766.db2.gz AHKBCOGLWQRPBK-UHFFFAOYSA-N 1 0 265.353 2.225 20 10 CECDRO CC1=NO[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000895304354 630096531 /nfs/dbraw/zinc/09/65/31/630096531.db2.gz IGUIUFYSZKUPKD-SECBINFHSA-N 1 0 272.707 2.439 20 10 CECDRO CC1=NO[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000895311043 630100168 /nfs/dbraw/zinc/10/01/68/630100168.db2.gz NJJHKSZTYDVHDT-LLVKDONJSA-N 1 0 254.717 2.300 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC2CCC(O)CC2)c1O ZINC000895326331 630113618 /nfs/dbraw/zinc/11/36/18/630113618.db2.gz BFOZXQLWJPHZFR-UHFFFAOYSA-N 1 0 279.380 2.350 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)c(O)c1OC ZINC000895376086 630147555 /nfs/dbraw/zinc/14/75/55/630147555.db2.gz CUHBIZYIOWENJJ-YPMHNXCESA-N 1 0 295.379 2.457 20 10 CECDRO CCC[C@H](CCO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895697004 630309626 /nfs/dbraw/zinc/30/96/26/630309626.db2.gz QNCVBJCSIPRKFU-GFCCVEGCSA-N 1 0 283.368 2.050 20 10 CECDRO COc1ccc(CN2Cc3cccc(O)c3C2)nc1 ZINC000895784663 630344123 /nfs/dbraw/zinc/34/41/23/630344123.db2.gz KUBPDWRSTAVPGM-UHFFFAOYSA-N 1 0 256.305 2.312 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](COC)[C@H]2CCCOC2)c1O ZINC000895859399 630379822 /nfs/dbraw/zinc/37/98/22/630379822.db2.gz QYNYMGOAYOWTLW-HOTGVXAUSA-N 1 0 293.407 2.486 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cc(N(C)C)ccn2)c1 ZINC000896298272 630521287 /nfs/dbraw/zinc/52/12/87/630521287.db2.gz HXXDYRVDDQMDNV-UHFFFAOYSA-N 1 0 287.363 2.152 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)c(O)c1 ZINC000896427951 630562698 /nfs/dbraw/zinc/56/26/98/630562698.db2.gz IVBMTUWAHOXXFU-GJZGRUSLSA-N 1 0 292.448 2.370 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CC)[C@H](C)O)c(O)c1 ZINC000824921744 635526032 /nfs/dbraw/zinc/52/60/32/635526032.db2.gz PQVHBLCLROEXSJ-GWCFXTLKSA-N 1 0 253.342 2.040 20 10 CECDRO COC[C@@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)C(C)C ZINC000897221355 630998954 /nfs/dbraw/zinc/99/89/54/630998954.db2.gz LWQIRTQGLGWJRJ-CYBMUJFWSA-N 1 0 297.395 2.418 20 10 CECDRO OC[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000897355477 631170139 /nfs/dbraw/zinc/17/01/39/631170139.db2.gz SKZSPTUQGKYUTR-JLIMDTESSA-N 1 0 286.169 2.015 20 10 CECDRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@H](C)CS(C)(=O)=O ZINC000093390538 631181991 /nfs/dbraw/zinc/18/19/91/631181991.db2.gz LYUURJKGNHVPBT-CYBMUJFWSA-N 1 0 299.436 2.264 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC000985839872 631187881 /nfs/dbraw/zinc/18/78/81/631187881.db2.gz UZRQXQKYSIEXPQ-HIFRSBDPSA-N 1 0 290.407 2.493 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)nn2)c1 ZINC000801529215 631283752 /nfs/dbraw/zinc/28/37/52/631283752.db2.gz LYNYCQRICDYKKT-SNVBAGLBSA-N 1 0 289.335 2.050 20 10 CECDRO CC[C@@H]([NH2+]C[C@H](O)COC)c1cc(Cl)ccc1O ZINC000802310774 631424144 /nfs/dbraw/zinc/42/41/44/631424144.db2.gz WRRXSLXEFRJPDW-CMPLNLGQSA-N 1 0 273.760 2.094 20 10 CECDRO COCCO[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000802653217 631440582 /nfs/dbraw/zinc/44/05/82/631440582.db2.gz PSEQTCQDCBKSIC-AWEZNQCLSA-N 1 0 295.379 2.028 20 10 CECDRO Oc1cc2c(cc1C[N@H+](C[C@H]1CCOC1)C1CC1)OCO2 ZINC000054495155 631601517 /nfs/dbraw/zinc/60/15/17/631601517.db2.gz LQRDBPTZQQVDSD-LLVKDONJSA-N 1 0 291.347 2.122 20 10 CECDRO Cc1ccc(O)c(CN[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000843127194 631749059 /nfs/dbraw/zinc/74/90/59/631749059.db2.gz BKVZKINRLGGXRK-HNNXBMFYSA-N 1 0 260.381 2.465 20 10 CECDRO Cc1cc(Br)c(O)c(CN2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000841024795 631803958 /nfs/dbraw/zinc/80/39/58/631803958.db2.gz SPCSDLBYRZWWCA-BXKDBHETSA-N 1 0 299.212 2.385 20 10 CECDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000897624067 631829352 /nfs/dbraw/zinc/82/93/52/631829352.db2.gz RNHBACSRYIOBDW-NHYWBVRUSA-N 1 0 294.782 2.133 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)c1O ZINC000897620261 631831765 /nfs/dbraw/zinc/83/17/65/631831765.db2.gz JXBLSPIJWHKXAL-WMLDXEAASA-N 1 0 290.407 2.093 20 10 CECDRO COc1cccc(O)c1C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897781093 631913356 /nfs/dbraw/zinc/91/33/56/631913356.db2.gz OXKLQZZBLRYUTP-FZWSLVFFSA-N 1 0 277.364 2.448 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1C[C@H]3CCC[C@H]31)OCO2 ZINC000897952649 631988416 /nfs/dbraw/zinc/98/84/16/631988416.db2.gz IASXJZPRAACWOX-YUSALJHKSA-N 1 0 261.321 2.399 20 10 CECDRO COc1cccc(O)c1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000809704638 632130454 /nfs/dbraw/zinc/13/04/54/632130454.db2.gz DMWNTAXJIHGJPL-PBWFPOADSA-N 1 0 290.407 2.458 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000825934015 635735197 /nfs/dbraw/zinc/73/51/97/635735197.db2.gz FGTDAPKMSYLQRA-BQSGVUBFSA-N 1 0 293.363 2.249 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c1O ZINC000898375756 632188083 /nfs/dbraw/zinc/18/80/83/632188083.db2.gz HFWOMAWOIORHMW-KGLIPLIRSA-N 1 0 277.364 2.224 20 10 CECDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826130150 635764493 /nfs/dbraw/zinc/76/44/93/635764493.db2.gz DRUVZHNAGJURMY-GFCCVEGCSA-N 1 0 282.771 2.064 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000787421147 632299812 /nfs/dbraw/zinc/29/98/12/632299812.db2.gz NUUOWKHLIKYWQP-SWLSCSKDSA-N 1 0 276.380 2.136 20 10 CECDRO C[C@@H]1CC[NH2+]C[C@@H]1NC/C=C/c1ccc(N(C)C)cc1 ZINC000841060005 632362427 /nfs/dbraw/zinc/36/24/27/632362427.db2.gz ZWKMTBGBUHCRDR-ROHVMALMSA-N 1 0 273.424 2.353 20 10 CECDRO COCC[C@H](COC)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000811517143 632394207 /nfs/dbraw/zinc/39/42/07/632394207.db2.gz JLBGIFVKYOEZFX-CYBMUJFWSA-N 1 0 287.787 2.495 20 10 CECDRO COC[C@H](C)C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449600 632499347 /nfs/dbraw/zinc/49/93/47/632499347.db2.gz HXUACONHGRGGQR-PBHICJAKSA-N 1 0 293.455 2.227 20 10 CECDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000812509291 632539299 /nfs/dbraw/zinc/53/92/99/632539299.db2.gz LGFIODOSEPLOSS-ZDUSSCGKSA-N 1 0 293.411 2.262 20 10 CECDRO Cn1nc2c(c1C[NH2+]Cc1cc(F)ccc1O)CCCC2 ZINC000812773619 632575406 /nfs/dbraw/zinc/57/54/06/632575406.db2.gz JBCIGCOGGDFMCX-UHFFFAOYSA-N 1 0 289.354 2.433 20 10 CECDRO Cc1cc(C[N@H+](C)CC2(O)CCC2)ccc1N(C)C ZINC000815092972 632957075 /nfs/dbraw/zinc/95/70/75/632957075.db2.gz YBRCGJCQUTXDLX-UHFFFAOYSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)ccc1N(C)C ZINC000815096662 632957874 /nfs/dbraw/zinc/95/78/74/632957874.db2.gz UIZKBPIGNZDNQQ-CZUORRHYSA-N 1 0 262.397 2.264 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815094460 632958068 /nfs/dbraw/zinc/95/80/68/632958068.db2.gz BURGVDIUFJMTON-NVXWUHKLSA-N 1 0 292.423 2.345 20 10 CECDRO COCC[C@@]1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCOC1 ZINC000815103650 632960088 /nfs/dbraw/zinc/96/00/88/632960088.db2.gz XVSRFJIFOHQERH-QGZVFWFLSA-N 1 0 292.423 2.346 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c(O)c1 ZINC000815160116 632974959 /nfs/dbraw/zinc/97/49/59/632974959.db2.gz PYONITMESVRFMB-MLGOLLRUSA-N 1 0 279.380 2.432 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2COCCO2)c(O)c1 ZINC000815561484 633031234 /nfs/dbraw/zinc/03/12/34/633031234.db2.gz IHKXOEZXWVJVDW-QWHCGFSZSA-N 1 0 265.353 2.075 20 10 CECDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816478109 633397674 /nfs/dbraw/zinc/39/76/74/633397674.db2.gz URKDTDRQTKJVAX-CQSZACIVSA-N 1 0 284.359 2.243 20 10 CECDRO Oc1c(C[NH2+]C[C@@H]2COCCO2)ccc2ccccc21 ZINC000816536770 633409149 /nfs/dbraw/zinc/40/91/49/633409149.db2.gz JMCSTHQTIJYNDB-CQSZACIVSA-N 1 0 273.332 2.050 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@@H](CO)O1 ZINC000816588173 633417754 /nfs/dbraw/zinc/41/77/54/633417754.db2.gz HTUWQVKTPFTUND-WFASDCNBSA-N 1 0 287.359 2.127 20 10 CECDRO CCCN1C[C@H](C[NH2+]Cc2cccc(C)c2O)CC1=O ZINC000817410888 633650575 /nfs/dbraw/zinc/65/05/75/633650575.db2.gz JJXNWKQJQWQODC-ZDUSSCGKSA-N 1 0 276.380 2.049 20 10 CECDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000817415709 633654509 /nfs/dbraw/zinc/65/45/09/633654509.db2.gz XBYWZJIOELJOEF-OAHLLOKOSA-N 1 0 284.359 2.256 20 10 CECDRO C[NH+](C)C1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000817770228 633740553 /nfs/dbraw/zinc/74/05/53/633740553.db2.gz KIMNPNWBZFQECG-UHFFFAOYSA-N 1 0 268.382 2.056 20 10 CECDRO CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000817940427 633788952 /nfs/dbraw/zinc/78/89/52/633788952.db2.gz GEWXFPVDAFAPBK-PVAVHDDUSA-N 1 0 291.439 2.157 20 10 CECDRO CC(C)[NH2+]CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817952247 633795887 /nfs/dbraw/zinc/79/58/87/633795887.db2.gz CXSRYLCBSSWQJY-LLVKDONJSA-N 1 0 281.356 2.339 20 10 CECDRO CC[NH2+]CCN[C@H](C)c1cc(Br)ccc1O ZINC000817952164 633796539 /nfs/dbraw/zinc/79/65/39/633796539.db2.gz OJFPKPNZPDZVLO-SECBINFHSA-N 1 0 287.201 2.415 20 10 CECDRO C[C@H](C[NH3+])N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817966950 633809694 /nfs/dbraw/zinc/80/96/94/633809694.db2.gz ZZTNMZHXVGYIAY-NEPJUHHUSA-N 1 0 297.830 2.174 20 10 CECDRO C[C@@H](NC[C@H](C)[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817970791 633813739 /nfs/dbraw/zinc/81/37/39/633813739.db2.gz FGUSPROIMKEUEN-NWDGAFQWSA-N 1 0 297.830 2.174 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972632 633815559 /nfs/dbraw/zinc/81/55/59/633815559.db2.gz YVPDWSDZUXVXDP-MXWKQRLJSA-N 1 0 279.340 2.092 20 10 CECDRO COCC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CC[NH2+]CC1 ZINC000817973946 633817625 /nfs/dbraw/zinc/81/76/25/633817625.db2.gz HRRGDWIIIREHIF-GFCCVEGCSA-N 1 0 296.386 2.198 20 10 CECDRO CCN(C)c1ccc([C@H](C)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000817983240 633826065 /nfs/dbraw/zinc/82/60/65/633826065.db2.gz ZXXDMVRYXLITLC-YOEHRIQHSA-N 1 0 291.439 2.172 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c1 ZINC000817996426 633829586 /nfs/dbraw/zinc/82/95/86/633829586.db2.gz FFTIYWKOCAIGRS-JRPNMDOOSA-N 1 0 294.395 2.197 20 10 CECDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1=O ZINC000818112185 633871458 /nfs/dbraw/zinc/87/14/58/633871458.db2.gz VMMRWAHRLNGBLH-CQSZACIVSA-N 1 0 288.391 2.111 20 10 CECDRO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(C)cc2O)n1 ZINC000818344230 633912589 /nfs/dbraw/zinc/91/25/89/633912589.db2.gz AJLPJFGPDNWEEM-LLVKDONJSA-N 1 0 274.368 2.471 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[NH2+]C1CC1 ZINC000818608220 633958466 /nfs/dbraw/zinc/95/84/66/633958466.db2.gz UCLRDVBZJAVAOX-UHFFFAOYSA-N 1 0 289.423 2.242 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903098486 634967942 /nfs/dbraw/zinc/96/79/42/634967942.db2.gz PMMHCEJOJAKXDP-DLBZAZTESA-N 1 0 290.407 2.099 20 10 CECDRO C[C@@H]([NH2+]CCOC1CC1)c1ccc(N2CCOCC2)cc1 ZINC000903170257 635004256 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CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)C(F)F ZINC000824636237 635467014 /nfs/dbraw/zinc/46/70/14/635467014.db2.gz MZZQQQWBWRXHRS-AAEUAGOBSA-N 1 0 271.307 2.116 20 10 CECDRO Oc1ccccc1C[NH2+]CC1(CF)CCOCC1 ZINC000824794619 635499777 /nfs/dbraw/zinc/49/97/77/635499777.db2.gz FLHOPUFJQGCQPY-UHFFFAOYSA-N 1 0 253.317 2.248 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCN(C)C2=O)cc1Cl ZINC000824835987 635507173 /nfs/dbraw/zinc/50/71/73/635507173.db2.gz FTOVCCSBXBALDO-LBPRGKRZSA-N 1 0 282.771 2.017 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000824845563 635510889 /nfs/dbraw/zinc/51/08/89/635510889.db2.gz MEFKMEALFXPVGP-NVXWUHKLSA-N 1 0 291.391 2.288 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)Cc2cnn(C)c2)c(O)c1 ZINC000825045635 635547987 /nfs/dbraw/zinc/54/79/87/635547987.db2.gz IJNJUHWRJYNORA-GFCCVEGCSA-N 1 0 289.379 2.245 20 10 CECDRO CCc1ncc(C[NH2+]Cc2cc(OC)ccc2O)o1 ZINC000825079451 635560014 /nfs/dbraw/zinc/56/00/14/635560014.db2.gz UOKIZUWBJGWHOT-UHFFFAOYSA-N 1 0 262.309 2.241 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272.751 2.415 20 10 CECDRO C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000841064418 639639240 /nfs/dbraw/zinc/63/92/40/639639240.db2.gz QGXHUGDSUQVUQS-CABZTGNLSA-N 1 0 299.212 2.242 20 10 CECDRO C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841064880 639641020 /nfs/dbraw/zinc/64/10/20/639641020.db2.gz VMOPNNGJTDHWOV-QPUJVOFHSA-N 1 0 272.751 2.272 20 10 CECDRO CN(C)c1ccc(/C=C/CN[C@H](CC[NH3+])C(F)F)cc1 ZINC000841074680 639645072 /nfs/dbraw/zinc/64/50/72/639645072.db2.gz QFYZEPCAKUHVLM-RDFMZFSFSA-N 1 0 283.366 2.338 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCn2cccn2)c1O ZINC000228671822 639651464 /nfs/dbraw/zinc/65/14/64/639651464.db2.gz CDMSUTFNDJRVIQ-UHFFFAOYSA-N 1 0 281.743 2.041 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CN)C2CCCC2)c1O ZINC000841087453 639651838 /nfs/dbraw/zinc/65/18/38/639651838.db2.gz NTVUBFZQSVWUJB-AWEZNQCLSA-N 1 0 278.396 2.398 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CN)C2CCCC2)c(O)c1 ZINC000841085650 639651847 /nfs/dbraw/zinc/65/18/47/639651847.db2.gz AESWGWDTYQIXCF-OAHLLOKOSA-N 1 0 278.396 2.398 20 10 CECDRO Cc1cccc(CN[C@H](CC[NH3+])C(F)(F)F)c1O ZINC000841090006 639652172 /nfs/dbraw/zinc/65/21/72/639652172.db2.gz CYISLDOSEIMGQF-SNVBAGLBSA-N 1 0 262.275 2.070 20 10 CECDRO [NH3+]CC[C@@H](NCc1c(O)cccc1Cl)C(F)(F)F ZINC000841089897 639653647 /nfs/dbraw/zinc/65/36/47/639653647.db2.gz BPSFNHBKEWAROA-SNVBAGLBSA-N 1 0 282.693 2.415 20 10 CECDRO [NH3+][C@H]1Cc2ccccc2N(Cc2ccccc2O)C1 ZINC000841106650 639683491 /nfs/dbraw/zinc/68/34/91/639683491.db2.gz NJSWNYFMLZZDAW-AWEZNQCLSA-N 1 0 254.333 2.282 20 10 CECDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(N)cc1 ZINC000841299990 639733006 /nfs/dbraw/zinc/73/30/06/639733006.db2.gz PSDACFVRJOAKHV-WFASDCNBSA-N 1 0 288.395 2.359 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1 ZINC000230668687 639778608 /nfs/dbraw/zinc/77/86/08/639778608.db2.gz FYWQKBVDQNHOKH-GOEBONIOSA-N 1 0 262.397 2.393 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccn(C)n2)c1 ZINC000230897831 639804618 /nfs/dbraw/zinc/80/46/18/639804618.db2.gz ODHAWFSWYMPXAJ-GFCCVEGCSA-N 1 0 259.353 2.327 20 10 CECDRO COc1cccc(CN2CCCC[C@H]2[C@H](C)[NH3+])c1O ZINC000063191262 639837059 /nfs/dbraw/zinc/83/70/59/639837059.db2.gz XHYLCCOROGYTHP-AAEUAGOBSA-N 1 0 264.369 2.103 20 10 CECDRO Cc1ccc(C[NH2+]CC(=O)NCCc2ccccc2)c(O)c1 ZINC000877010339 650530592 /nfs/dbraw/zinc/53/05/92/650530592.db2.gz UYGUKYREAZPWDK-UHFFFAOYSA-N 1 0 298.386 2.149 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000877014830 650532125 /nfs/dbraw/zinc/53/21/25/650532125.db2.gz SDJGHMSBBSSPID-OAHLLOKOSA-N 1 0 271.360 2.394 20 10 CECDRO [NH3+]C1(CNC(=O)NCc2ccccc2O)CCCCCC1 ZINC000841916626 639905528 /nfs/dbraw/zinc/90/55/28/639905528.db2.gz JQCBTNNJWXHVAU-UHFFFAOYSA-N 1 0 291.395 2.243 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1COC[C@H]1OC)c1ccc(C)cc1O ZINC000842909558 640219681 /nfs/dbraw/zinc/21/96/81/640219681.db2.gz JACBOJSUWBZUGS-UMVBOHGHSA-N 1 0 265.353 2.155 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000877084401 650565306 /nfs/dbraw/zinc/56/53/06/650565306.db2.gz MOAFOVRQRHZDSC-LBPRGKRZSA-N 1 0 257.337 2.071 20 10 CECDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)c1ccc(N)cc1 ZINC000877077662 650561941 /nfs/dbraw/zinc/56/19/41/650561941.db2.gz QOEQHNCJNWSEIG-ZDUSSCGKSA-N 1 0 263.385 2.256 20 10 CECDRO CCOc1ccc(O)c(CN2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000843044649 640250274 /nfs/dbraw/zinc/25/02/74/640250274.db2.gz DOROVGJFKBZZIP-DOMZBBRYSA-N 1 0 278.396 2.493 20 10 CECDRO C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843056809 640258819 /nfs/dbraw/zinc/25/88/19/640258819.db2.gz AICTXFDFMZVADI-IUCAKERBSA-N 1 0 272.751 2.354 20 10 CECDRO Nc1ccc(CN2CCCc3cc(C[NH3+])ccc32)cn1 ZINC000843057971 640260294 /nfs/dbraw/zinc/26/02/94/640260294.db2.gz JFKNDNOBWMZMHP-UHFFFAOYSA-N 1 0 268.364 2.075 20 10 CECDRO CC(C)[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[NH2+]1 ZINC000843104441 640281818 /nfs/dbraw/zinc/28/18/18/640281818.db2.gz HWQXAEBCIOHJME-OAHLLOKOSA-N 1 0 279.403 2.322 20 10 CECDRO Oc1ccc(F)cc1CN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000843120560 640289564 /nfs/dbraw/zinc/28/95/64/640289564.db2.gz PPKTVMIJWXDXQX-HNNXBMFYSA-N 1 0 287.338 2.073 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1CC[NH2+]C[C@](C)(F)C1 ZINC000843125261 640292494 /nfs/dbraw/zinc/29/24/94/640292494.db2.gz QCDUTWJWKMUBHM-INIZCTEOSA-N 1 0 279.403 2.194 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+]C[C@@H]2C)c1O ZINC000843347782 640398502 /nfs/dbraw/zinc/39/85/02/640398502.db2.gz MAPIIWXVTWOKLE-VIFPVBQESA-N 1 0 282.771 2.042 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c1O ZINC000914432977 640403878 /nfs/dbraw/zinc/40/38/78/640403878.db2.gz INOWKGZQEBAZQS-ZIAGYGMSSA-N 1 0 277.364 2.306 20 10 CECDRO Nc1ccc(NC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000844163329 640621169 /nfs/dbraw/zinc/62/11/69/640621169.db2.gz ZAROAPPVDBWULQ-UHFFFAOYSA-N 1 0 261.369 2.473 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccccc1O ZINC000844313015 640673205 /nfs/dbraw/zinc/67/32/05/640673205.db2.gz PQQFNDNHZGFSAY-GXTWGEPZSA-N 1 0 290.363 2.416 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCCO2)cc1 ZINC000844400065 640708386 /nfs/dbraw/zinc/70/83/86/640708386.db2.gz UTVJMZGRUCWFGW-MRXNPFEDSA-N 1 0 278.396 2.242 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CCC[C@@H](C)O)cc1 ZINC000844402981 640709425 /nfs/dbraw/zinc/70/94/25/640709425.db2.gz YPYKBVSWOSJFMQ-CQSZACIVSA-N 1 0 280.412 2.224 20 10 CECDRO COc1ccc(N(C)CC[N@@H+](C)C[C@H](OC)C2CC2)cc1 ZINC000844402271 640709432 /nfs/dbraw/zinc/70/94/32/640709432.db2.gz RGRPVPSDIQQPNV-KRWDZBQOSA-N 1 0 292.423 2.488 20 10 CECDRO Cc1ccc(C[NH+]2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC000877169110 650607258 /nfs/dbraw/zinc/60/72/58/650607258.db2.gz GYYPGYSXCBBNDA-UHFFFAOYSA-N 1 0 297.402 2.413 20 10 CECDRO Cc1ccc(C[N@H+](C)CCc2cnccn2)c(O)c1 ZINC000877172017 650609488 /nfs/dbraw/zinc/60/94/88/650609488.db2.gz NILIBELOZBKFRN-UHFFFAOYSA-N 1 0 257.337 2.165 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1OC ZINC000844759345 640829564 /nfs/dbraw/zinc/82/95/64/640829564.db2.gz XFXSLVXQORJPSN-AOOOYVTPSA-N 1 0 285.290 2.106 20 10 CECDRO CCNC(=O)CC[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000917019378 640837772 /nfs/dbraw/zinc/83/77/72/640837772.db2.gz CRQGZSLUHOVBTC-UHFFFAOYSA-N 1 0 291.439 2.491 20 10 CECDRO Cc1ncc(C[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000917138992 640857103 /nfs/dbraw/zinc/85/71/03/640857103.db2.gz FDLGQHKVYRQVSZ-UHFFFAOYSA-N 1 0 256.353 2.141 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1CC[NH3+] ZINC000844902560 640859881 /nfs/dbraw/zinc/85/98/81/640859881.db2.gz QPALCNXJJMNRJU-YPMHNXCESA-N 1 0 292.379 2.070 20 10 CECDRO CCCC[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000917394225 640880587 /nfs/dbraw/zinc/88/05/87/640880587.db2.gz AMGYBXDCQWGNHN-HNNXBMFYSA-N 1 0 289.423 2.278 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000154431200 640896133 /nfs/dbraw/zinc/89/61/33/640896133.db2.gz GWBRCBQEBQLKAU-CQSZACIVSA-N 1 0 265.353 2.136 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(Cn3cnnc3)CC2)c1 ZINC000846057665 641165789 /nfs/dbraw/zinc/16/57/89/641165789.db2.gz YWAKUKHBZPGZQO-UHFFFAOYSA-N 1 0 286.379 2.204 20 10 CECDRO CCn1nnc(C)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000846055460 641166177 /nfs/dbraw/zinc/16/61/77/641166177.db2.gz MKGRHMXXXNVGDM-UHFFFAOYSA-N 1 0 280.759 2.255 20 10 CECDRO CC[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccccc1O ZINC000846108715 641183492 /nfs/dbraw/zinc/18/34/92/641183492.db2.gz QTYGKMRMFNQUKM-HOCLYGCPSA-N 1 0 279.380 2.365 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCCO[C@@H]2CCOC2)c1O ZINC000846149841 641203266 /nfs/dbraw/zinc/20/32/66/641203266.db2.gz MVNAICRLBMCVGJ-QWHCGFSZSA-N 1 0 295.379 2.247 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)C(C)(C)O)c1O ZINC000846162551 641208410 /nfs/dbraw/zinc/20/84/10/641208410.db2.gz LEGOGUHCNGITIN-VHSXEESVSA-N 1 0 253.342 2.211 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)CC(F)F)c1O ZINC000846164126 641209798 /nfs/dbraw/zinc/20/97/98/641209798.db2.gz FPEPPQLHZAGETC-BDAKNGLRSA-N 1 0 275.295 2.068 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)c1O ZINC000846169498 641210649 /nfs/dbraw/zinc/21/06/49/641210649.db2.gz RHDKPDNZMNTEGT-NTZNESFSSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C2CCN(OC)CC2)c1O ZINC000846171829 641212592 /nfs/dbraw/zinc/21/25/92/641212592.db2.gz IDNHXBHIVIJLHC-LLVKDONJSA-N 1 0 280.368 2.077 20 10 CECDRO C[C@H](NC(=O)C1([NH2+]C2CC2)CCC1)c1ccccc1O ZINC000877256541 650644416 /nfs/dbraw/zinc/64/44/16/650644416.db2.gz ZCODGEYSDWCKSA-NSHDSACASA-N 1 0 274.364 2.244 20 10 CECDRO C[NH+]1CCC(CC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846474675 641311766 /nfs/dbraw/zinc/31/17/66/641311766.db2.gz ZBFRBFOTCGFIIF-UHFFFAOYSA-N 1 0 296.798 2.394 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C[C@@H]1CCC[NH2+]1 ZINC000233512412 641325662 /nfs/dbraw/zinc/32/56/62/641325662.db2.gz JGDZLIFBHPNNOS-HNNXBMFYSA-N 1 0 261.413 2.327 20 10 CECDRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000179873526 641389603 /nfs/dbraw/zinc/38/96/03/641389603.db2.gz JRLLXVLDAGLQHK-QWHCGFSZSA-N 1 0 267.369 2.076 20 10 CECDRO CCC[N@H+](CC[C@H]1CCNC1=O)Cc1ccccc1O ZINC000846807300 641432875 /nfs/dbraw/zinc/43/28/75/641432875.db2.gz BYFQMJQNXXRBBQ-CYBMUJFWSA-N 1 0 276.380 2.130 20 10 CECDRO COc1cc(O)c(C[N@H+](CCCCO)C2CC2)cc1OC ZINC000180233432 641436235 /nfs/dbraw/zinc/43/62/35/641436235.db2.gz QCTFNZGLBJYRNY-UHFFFAOYSA-N 1 0 295.379 2.146 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CCC[NH2+]CC2)cc1 ZINC000071585751 641782274 /nfs/dbraw/zinc/78/22/74/641782274.db2.gz DGIYZJMHBYGQAU-HWKANZROSA-N 1 0 259.397 2.061 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CN(C(C)=O)CC2(C)C)cc1C ZINC000995304355 641878317 /nfs/dbraw/zinc/87/83/17/641878317.db2.gz UCZPNZGCDLMPMV-INIZCTEOSA-N 1 0 290.407 2.350 20 10 CECDRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185117676 641938032 /nfs/dbraw/zinc/93/80/32/641938032.db2.gz AKEQERDXOCAVPQ-WCQYABFASA-N 1 0 285.359 2.215 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COCC(C)C)c1 ZINC000185116890 641938046 /nfs/dbraw/zinc/93/80/46/641938046.db2.gz JRIJOKSETXZEFT-KGLIPLIRSA-N 1 0 281.396 2.385 20 10 CECDRO C[NH2+][C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000848427434 641991941 /nfs/dbraw/zinc/99/19/41/641991941.db2.gz MSKCSLHJNSSFJA-ZDUSSCGKSA-N 1 0 277.412 2.098 20 10 CECDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185791842 642029302 /nfs/dbraw/zinc/02/93/02/642029302.db2.gz AJFVKUYWZVEZAR-NXEZZACHSA-N 1 0 289.372 2.005 20 10 CECDRO CC[N@@H+](Cc1ccc(C)cc1O)C[C@H](O)C(F)(F)F ZINC000877429419 650716451 /nfs/dbraw/zinc/71/64/51/650716451.db2.gz XYJBBKLTLLPQFT-LBPRGKRZSA-N 1 0 277.286 2.446 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c(O)c1 ZINC000848564420 642055743 /nfs/dbraw/zinc/05/57/43/642055743.db2.gz NDFNKNCBLHAHFJ-NWDGAFQWSA-N 1 0 286.379 2.037 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000770666242 642162673 /nfs/dbraw/zinc/16/26/73/642162673.db2.gz WVENYDQZOKWVLM-UHFFFAOYSA-N 1 0 283.755 2.479 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000848880623 642167814 /nfs/dbraw/zinc/16/78/14/642167814.db2.gz GMUHZANFMLWFCG-OAHLLOKOSA-N 1 0 288.391 2.198 20 10 CECDRO CCc1cccc(C[NH+]2CCC(CC(=O)NC)CC2)c1O ZINC000848888180 642173160 /nfs/dbraw/zinc/17/31/60/642173160.db2.gz OBFZRTNRNCVAJU-UHFFFAOYSA-N 1 0 290.407 2.303 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](OCCOC)C2)c1O ZINC000848905793 642183331 /nfs/dbraw/zinc/18/33/31/642183331.db2.gz ODTVJXKDWLAEIN-OAHLLOKOSA-N 1 0 279.380 2.192 20 10 CECDRO CCc1cccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c1O ZINC000848908553 642184862 /nfs/dbraw/zinc/18/48/62/642184862.db2.gz XGZFLAWYRJRDBD-UHFFFAOYSA-N 1 0 297.420 2.012 20 10 CECDRO CCCN1C[C@@H](C[NH2+]Cc2cccc(CC)c2O)CC1=O ZINC000848918312 642192037 /nfs/dbraw/zinc/19/20/37/642192037.db2.gz VTMCWFFVNSLHRS-CYBMUJFWSA-N 1 0 290.407 2.303 20 10 CECDRO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000817982086 642192716 /nfs/dbraw/zinc/19/27/16/642192716.db2.gz XEPDMPGSFBFCPW-CABZTGNLSA-N 1 0 256.296 2.040 20 10 CECDRO CCOc1cccc(C[N@H+](C[C@H](C)O)C2CC2)c1O ZINC000848928397 642198906 /nfs/dbraw/zinc/19/89/06/642198906.db2.gz CBOGEVZDIDYERI-NSHDSACASA-N 1 0 265.353 2.136 20 10 CECDRO [NH2+]=C(NCCCSc1nccs1)NC1CCC1 ZINC000849008661 642225022 /nfs/dbraw/zinc/22/50/22/642225022.db2.gz MKQSYIVKIMWFMV-UHFFFAOYSA-N 1 0 270.427 2.292 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000877485874 650744286 /nfs/dbraw/zinc/74/42/86/650744286.db2.gz BMROHJBTOVITQN-BBRMVZONSA-N 1 0 277.364 2.080 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCC(C)(C)O2)c1O ZINC000189725461 642437143 /nfs/dbraw/zinc/43/71/43/642437143.db2.gz XNGOCIIVJYRLJG-GFCCVEGCSA-N 1 0 265.353 2.448 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000877519410 650762426 /nfs/dbraw/zinc/76/24/26/650762426.db2.gz RLZSADJWUSFYJD-UHFFFAOYSA-N 1 0 297.420 2.148 20 10 CECDRO COC(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877520013 650763425 /nfs/dbraw/zinc/76/34/25/650763425.db2.gz XASBZEQFTMHTTG-UHFFFAOYSA-N 1 0 292.379 2.269 20 10 CECDRO CO[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)[C@H]1CCOC1 ZINC000850343953 642674603 /nfs/dbraw/zinc/67/46/03/642674603.db2.gz YKOCYOGEFYMXFM-XJKSGUPXSA-N 1 0 279.380 2.150 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCO[C@H]3C)C2)cc1 ZINC000850347760 642675593 /nfs/dbraw/zinc/67/55/93/642675593.db2.gz WVNSRXWXGHGIJU-HEHGZKQESA-N 1 0 276.380 2.041 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1 ZINC000850355817 642680044 /nfs/dbraw/zinc/68/00/44/642680044.db2.gz LUWVGKPCTXOIEG-PJIJBLCYSA-N 1 0 281.421 2.480 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1O ZINC000850356634 642680162 /nfs/dbraw/zinc/68/01/62/642680162.db2.gz QUZYUIWBZBYZDK-IZDJOXEWSA-N 1 0 297.420 2.180 20 10 CECDRO CN(C)c1ccc(C[NH2+]C/C=C/CO)c(C(F)(F)F)c1 ZINC000850357610 642681082 /nfs/dbraw/zinc/68/10/82/642681082.db2.gz POPOCEIVFVZETH-ONEGZZNKSA-N 1 0 288.313 2.410 20 10 CECDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCC2 ZINC000850388056 642695429 /nfs/dbraw/zinc/69/54/29/642695429.db2.gz GMHFMPYIPGQJFW-HUUCEWRRSA-N 1 0 259.349 2.015 20 10 CECDRO CON(C)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000850479281 642725596 /nfs/dbraw/zinc/72/55/96/642725596.db2.gz PFJZLCZNAVNXKB-KOLCDFICSA-N 1 0 268.332 2.162 20 10 CECDRO CO[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)[C@H]1CCOC1 ZINC000850484444 642728622 /nfs/dbraw/zinc/72/86/22/642728622.db2.gz IXJOAZXMADLHDI-KCQAQPDRSA-N 1 0 277.364 2.021 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000850487726 642730119 /nfs/dbraw/zinc/73/01/19/642730119.db2.gz JDAKHUOHCKMDBI-CABCVRRESA-N 1 0 290.407 2.433 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCOC3)C2)cc1 ZINC000850489932 642730572 /nfs/dbraw/zinc/73/05/72/642730572.db2.gz YGBJYHXMYPOVDD-KBPBESRZSA-N 1 0 276.380 2.043 20 10 CECDRO C[C@H]([NH2+]C/C=C/CO)c1cc2c(cc1O)CCCC2 ZINC000850510213 642736009 /nfs/dbraw/zinc/73/60/09/642736009.db2.gz VWMHHDAPCRPLIT-ITKZLYELSA-N 1 0 261.365 2.470 20 10 CECDRO C[C@H]([NH2+]C/C=C\CO)c1cc2c(cc1O)CCCC2 ZINC000850510215 642736455 /nfs/dbraw/zinc/73/64/55/642736455.db2.gz VWMHHDAPCRPLIT-RXNFCKPNSA-N 1 0 261.365 2.470 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCC3)c1 ZINC000850545383 642747634 /nfs/dbraw/zinc/74/76/34/642747634.db2.gz GSHPEMWNUDQMGT-LKTVYLICSA-N 1 0 277.364 2.355 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000850548536 642749303 /nfs/dbraw/zinc/74/93/03/642749303.db2.gz UVCUXHXHNYTAJS-GXSJLCMTSA-N 1 0 296.342 2.367 20 10 CECDRO OC[C@H]1C=C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921856332 642757700 /nfs/dbraw/zinc/75/77/00/642757700.db2.gz XDYFDKFCNGOVGQ-DZGCQCFKSA-N 1 0 259.349 2.038 20 10 CECDRO O[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921927916 642791000 /nfs/dbraw/zinc/79/10/00/642791000.db2.gz OGXNZPZPUQPKDJ-SHTZXODSSA-N 1 0 261.365 2.405 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000877560402 650789275 /nfs/dbraw/zinc/78/92/75/650789275.db2.gz PXIKPIOMBQDOMV-CYBMUJFWSA-N 1 0 292.379 2.363 20 10 CECDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922007773 642838873 /nfs/dbraw/zinc/83/88/73/642838873.db2.gz FYDLFPZBLBDROL-XYBNCVKDSA-N 1 0 261.365 2.428 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000877568392 650793471 /nfs/dbraw/zinc/79/34/71/650793471.db2.gz MUCWBEVKKCXOAR-ZDUSSCGKSA-N 1 0 297.420 2.100 20 10 CECDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(C)C ZINC000922145845 642905224 /nfs/dbraw/zinc/90/52/24/642905224.db2.gz CSYOFSJGTRGLNL-INIZCTEOSA-N 1 0 290.407 2.262 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CC(CO)(c2ccccc2)C1 ZINC000877589672 650803512 /nfs/dbraw/zinc/80/35/12/650803512.db2.gz IUTLHKIGNKJCPY-UHFFFAOYSA-N 1 0 283.371 2.447 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCO[C@H]1CC1(F)F ZINC000877627821 650820545 /nfs/dbraw/zinc/82/05/45/650820545.db2.gz WBOIBCZCABBDCC-LBPRGKRZSA-N 1 0 257.280 2.214 20 10 CECDRO Cc1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)c(O)c1 ZINC000877626838 650820566 /nfs/dbraw/zinc/82/05/66/650820566.db2.gz BNIJCLXAGJFYFW-GFCCVEGCSA-N 1 0 257.280 2.214 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000877636212 650826494 /nfs/dbraw/zinc/82/64/94/650826494.db2.gz QGMWIBPERBQZAH-OAHLLOKOSA-N 1 0 290.407 2.044 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@]1(C)CCCCO1 ZINC000922816969 643280618 /nfs/dbraw/zinc/28/06/18/643280618.db2.gz LVHIRFISPJXDQU-HNNXBMFYSA-N 1 0 265.353 2.450 20 10 CECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877655101 650836150 /nfs/dbraw/zinc/83/61/50/650836150.db2.gz OFCXAEWCNLBKJZ-AWEZNQCLSA-N 1 0 275.348 2.442 20 10 CECDRO c1cc2c(cc1C[NH2+]CCOC1CCOCC1)CCCO2 ZINC000922928265 643459621 /nfs/dbraw/zinc/45/96/21/643459621.db2.gz MZPDMXNCPZXVRK-UHFFFAOYSA-N 1 0 291.391 2.297 20 10 CECDRO Cc1cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)ccc1N(C)C ZINC000852580183 643480306 /nfs/dbraw/zinc/48/03/06/643480306.db2.gz BGDZMXLUBGIDMA-HOTGVXAUSA-N 1 0 274.408 2.454 20 10 CECDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2CNC(C)=O)c1O ZINC000877676282 650845320 /nfs/dbraw/zinc/84/53/20/650845320.db2.gz ZULVUCSZAYHGML-INIZCTEOSA-N 1 0 290.407 2.445 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@]1(C)CO ZINC000852701878 643518999 /nfs/dbraw/zinc/51/89/99/643518999.db2.gz GPJNPSRCEIZMJC-CZUORRHYSA-N 1 0 262.397 2.203 20 10 CECDRO COCC1(C2CC2)C[NH+](Cc2cccc(OC)c2O)C1 ZINC000877686696 650850565 /nfs/dbraw/zinc/85/05/65/650850565.db2.gz UQDCUWMOGJHWFE-UHFFFAOYSA-N 1 0 277.364 2.259 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877682243 650848379 /nfs/dbraw/zinc/84/83/79/650848379.db2.gz MPUWFGXRCFVIGM-SCYJSFNGSA-N 1 0 259.349 2.214 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000852838552 643571595 /nfs/dbraw/zinc/57/15/95/643571595.db2.gz JWXAAGYRAFEZIP-AWEZNQCLSA-N 1 0 289.423 2.048 20 10 CECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)CCC1(F)F ZINC000877696696 650855793 /nfs/dbraw/zinc/85/57/93/650855793.db2.gz WHCHWSXWGVLNPM-LBPRGKRZSA-N 1 0 299.317 2.413 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1N(C)C ZINC000923392227 643691667 /nfs/dbraw/zinc/69/16/67/643691667.db2.gz ITRCPSYPQKBMEU-ZFWWWQNUSA-N 1 0 261.413 2.373 20 10 CECDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)Cc1ccccc1 ZINC000111235474 643733645 /nfs/dbraw/zinc/73/36/45/643733645.db2.gz ATHODBQZUJFLRK-INIZCTEOSA-N 1 0 271.360 2.428 20 10 CECDRO COC(=O)C[C@@](C)([NH2+]Cc1ccccc1O)C1CC1 ZINC000877706860 650863063 /nfs/dbraw/zinc/86/30/63/650863063.db2.gz JZOPUSZLXJBRBF-OAHLLOKOSA-N 1 0 263.337 2.214 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CC(C(=O)OC(C)(C)C)C2)c1 ZINC000839132890 644169282 /nfs/dbraw/zinc/16/92/82/644169282.db2.gz GWWJXOISLRDPCP-UHFFFAOYSA-N 1 0 277.364 2.474 20 10 CECDRO COc1cccc(C[NH+]2CC3(CC(F)C3)C2)c1O ZINC000839139495 644171705 /nfs/dbraw/zinc/17/17/05/644171705.db2.gz HAQHZFLZYZBCCA-UHFFFAOYSA-N 1 0 251.301 2.335 20 10 CECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000839192236 644184913 /nfs/dbraw/zinc/18/49/13/644184913.db2.gz NMPAMNXCNCFKNO-NEPJUHHUSA-N 1 0 251.326 2.058 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1O ZINC000839192227 644185578 /nfs/dbraw/zinc/18/55/78/644185578.db2.gz MHVFBXLBKMXUFG-QWRGUYRKSA-N 1 0 251.351 2.091 20 10 CECDRO C[C@@H]([NH2+]Cc1cnc(N(C)C)nc1)c1ccccc1O ZINC000877756241 650899198 /nfs/dbraw/zinc/89/91/98/650899198.db2.gz AGHBRNVVEIYTKJ-LLVKDONJSA-N 1 0 272.352 2.099 20 10 CECDRO COC(=O)N1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000113327806 644355633 /nfs/dbraw/zinc/35/56/33/644355633.db2.gz KVVUMPYJUXQPTO-UHFFFAOYSA-N 1 0 278.352 2.021 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](CO)CC2CC2)ccc1OC ZINC000754832100 644438037 /nfs/dbraw/zinc/43/80/37/644438037.db2.gz FDNXGQKIKNVCFP-MRXNPFEDSA-N 1 0 293.407 2.482 20 10 CECDRO CNC(=O)CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756483579 644653603 /nfs/dbraw/zinc/65/36/03/644653603.db2.gz PADHCWHQIXVZLS-GXSJLCMTSA-N 1 0 280.343 2.195 20 10 CECDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756578039 644671633 /nfs/dbraw/zinc/67/16/33/644671633.db2.gz VQAUDESUXOXYQY-HUTHGQBESA-N 1 0 275.801 2.465 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](O)C(C)C)c1 ZINC000756596910 644673256 /nfs/dbraw/zinc/67/32/56/644673256.db2.gz ILJCOMGYRURMTH-BXUZGUMPSA-N 1 0 267.369 2.458 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)c(O)c1C ZINC000756739841 644688117 /nfs/dbraw/zinc/68/81/17/644688117.db2.gz QLXYHMLMZMNMHZ-NWDGAFQWSA-N 1 0 264.369 2.136 20 10 CECDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cc(F)ccc1O ZINC000756769067 644690017 /nfs/dbraw/zinc/69/00/17/644690017.db2.gz JBOSNDSUWBPXRZ-BXKDBHETSA-N 1 0 253.317 2.343 20 10 CECDRO C[C@@H](O)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756765064 644690607 /nfs/dbraw/zinc/69/06/07/644690607.db2.gz NHYWLOHTPRVLCN-IQJOONFLSA-N 1 0 253.317 2.440 20 10 CECDRO C[C@H]([NH2+]CCCn1cncn1)c1cc(Cl)ccc1O ZINC000756830018 644696468 /nfs/dbraw/zinc/69/64/68/644696468.db2.gz NWRSZPRAVGLGAG-JTQLQIEISA-N 1 0 280.759 2.378 20 10 CECDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ncn1 ZINC000756991526 644716072 /nfs/dbraw/zinc/71/60/72/644716072.db2.gz UWLBGOYZQGORBW-UHFFFAOYSA-N 1 0 255.321 2.010 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1 ZINC000839666490 644770495 /nfs/dbraw/zinc/77/04/95/644770495.db2.gz RTLBGECWIOZPOU-UXLLHSPISA-N 1 0 274.408 2.345 20 10 CECDRO CCOc1ccc(CN2CC[N@H+](CC)C[C@@H]2C)c(O)c1 ZINC000809697324 644798914 /nfs/dbraw/zinc/79/89/14/644798914.db2.gz DULDPOWFXFVKAN-ZDUSSCGKSA-N 1 0 278.396 2.317 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1ccccc1O ZINC000857068527 644808723 /nfs/dbraw/zinc/80/87/23/644808723.db2.gz YASQDKHONMHTNM-OCCSQVGLSA-N 1 0 262.353 2.054 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)CCc1ccccn1 ZINC000757887844 644853861 /nfs/dbraw/zinc/85/38/61/644853861.db2.gz VJLNNFGLJYLGHS-UHFFFAOYSA-N 1 0 272.348 2.470 20 10 CECDRO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccccc2O)c[nH]1 ZINC000858288837 645107455 /nfs/dbraw/zinc/10/74/55/645107455.db2.gz FFSZYFIUWZENFR-CJNGLKHVSA-N 1 0 286.331 2.113 20 10 CECDRO COc1cc(C[NH2+]CC2COC2)c(O)c(C(C)(C)C)c1 ZINC000858298524 645110707 /nfs/dbraw/zinc/11/07/07/645110707.db2.gz RCAPFVSGGJKLMY-UHFFFAOYSA-N 1 0 279.380 2.434 20 10 CECDRO CC[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(C)cc1O ZINC000858435137 645158874 /nfs/dbraw/zinc/15/88/74/645158874.db2.gz WZJSMKNUUHLJHB-KBPBESRZSA-N 1 0 289.379 2.208 20 10 CECDRO CC[N@H+](CCC1CC1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000760537058 645169024 /nfs/dbraw/zinc/16/90/24/645169024.db2.gz AKNKKFYIOHJJHM-OAHLLOKOSA-N 1 0 277.364 2.440 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](OC)C2)c1O ZINC000858584495 645212163 /nfs/dbraw/zinc/21/21/63/645212163.db2.gz RTANYTXBKZCTHP-GMTAPVOTSA-N 1 0 251.326 2.229 20 10 CECDRO O=C1[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CCN1C1CCC1 ZINC000858602583 645218291 /nfs/dbraw/zinc/21/82/91/645218291.db2.gz CTAJPFPKYVFTEU-UONOGXRCSA-N 1 0 286.375 2.123 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)Cc2cn[nH]c2)c1O ZINC000761202822 645255997 /nfs/dbraw/zinc/25/59/97/645255997.db2.gz NGAPRYPXCXAWSK-UHFFFAOYSA-N 1 0 281.743 2.409 20 10 CECDRO COc1cc(O)c(C[NH2+]C2(CO)CCCCC2)cc1OC ZINC000762788049 645451640 /nfs/dbraw/zinc/45/16/40/645451640.db2.gz STRQLTLCCDOCQI-UHFFFAOYSA-N 1 0 295.379 2.194 20 10 CECDRO CC[C@@H](C)[NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000765252149 645749227 /nfs/dbraw/zinc/74/92/27/645749227.db2.gz IBEYYEWZZGRIFN-HIFRSBDPSA-N 1 0 289.423 2.276 20 10 CECDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)CC1(O)CCCCC1 ZINC000878242129 651043730 /nfs/dbraw/zinc/04/37/30/651043730.db2.gz NCIPLYGNQGRKDY-OAHLLOKOSA-N 1 0 293.407 2.270 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C)C2)cc1 ZINC000765767792 645805750 /nfs/dbraw/zinc/80/57/50/645805750.db2.gz HMUVLMCPKXGCTG-HIFRSBDPSA-N 1 0 261.413 2.497 20 10 CECDRO CC[N@H+](C)C[C@@H]1CCN(Cc2c(O)cccc2OC)C1 ZINC000769516326 646280695 /nfs/dbraw/zinc/28/06/95/646280695.db2.gz SHVTWIQYFVHMOM-ZDUSSCGKSA-N 1 0 278.396 2.174 20 10 CECDRO CCOc1ccc(C[N@H+](C)C[C@@H]2CCOC2)c(O)c1 ZINC000769531626 646283296 /nfs/dbraw/zinc/28/32/96/646283296.db2.gz DPTDYVPYRIUDQC-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO Oc1cccc(Br)c1C[NH+]1CCC(O)CC1 ZINC000862213971 646365084 /nfs/dbraw/zinc/36/50/84/646365084.db2.gz ZUJDAXWTFXRIMB-UHFFFAOYSA-N 1 0 286.169 2.111 20 10 CECDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000862487297 646478552 /nfs/dbraw/zinc/47/85/52/646478552.db2.gz OAYHCRFJOANEEO-CYBMUJFWSA-N 1 0 261.321 2.134 20 10 CECDRO CCC(O)(CC)C[N@H+](C)Cc1cccc(OC)c1O ZINC000862540013 646488244 /nfs/dbraw/zinc/48/82/44/646488244.db2.gz WRYPZDKTUVPDEQ-UHFFFAOYSA-N 1 0 267.369 2.384 20 10 CECDRO Cc1ccc(O)c(CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC000862757425 646557740 /nfs/dbraw/zinc/55/77/40/646557740.db2.gz TXKFBEGFCUZEHQ-UHFFFAOYSA-N 1 0 276.380 2.049 20 10 CECDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000771928170 646571934 /nfs/dbraw/zinc/57/19/34/646571934.db2.gz QKLPIELUMXXYSC-LBPRGKRZSA-N 1 0 293.363 2.176 20 10 CECDRO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(N(C)C)cc1 ZINC000772980903 646692071 /nfs/dbraw/zinc/69/20/71/646692071.db2.gz NAHQVCFIONRKGL-ZDUSSCGKSA-N 1 0 289.423 2.462 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773130267 646709242 /nfs/dbraw/zinc/70/92/42/646709242.db2.gz HUAXDAGWXJSHSI-MAZHCROVSA-N 1 0 289.423 2.318 20 10 CECDRO CCOCc1cc(CN[C@@H]2CC[NH2+][C@H]2CC)ccc1OC ZINC000863481244 646738638 /nfs/dbraw/zinc/73/86/38/646738638.db2.gz DEGOBCAXAVWULS-JKSUJKDBSA-N 1 0 292.423 2.462 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000775402506 646950204 /nfs/dbraw/zinc/95/02/04/646950204.db2.gz DUDLSUAQDJCDGF-CJNGLKHVSA-N 1 0 289.423 2.414 20 10 CECDRO CC[NH+](CC)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775408773 646951221 /nfs/dbraw/zinc/95/12/21/646951221.db2.gz BTEXGCZIXSODJB-ZDUSSCGKSA-N 1 0 277.412 2.272 20 10 CECDRO CC[C@H]([NH2+]CCCS(=O)(=O)CC)c1ccccc1O ZINC000775411337 646951674 /nfs/dbraw/zinc/95/16/74/646951674.db2.gz DJWXLRZGETWWKJ-ZDUSSCGKSA-N 1 0 285.409 2.258 20 10 CECDRO CC[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccccc1O ZINC000775416811 646952679 /nfs/dbraw/zinc/95/26/79/646952679.db2.gz YANGBNQLNXDGOW-AWEZNQCLSA-N 1 0 276.380 2.492 20 10 CECDRO CC[C@@H]([NH2+]C[C@H](O)CN(C)C)c1cc(Cl)ccc1O ZINC000775501299 646960570 /nfs/dbraw/zinc/96/05/70/646960570.db2.gz GCMIVIQYMFUXGC-WCQYABFASA-N 1 0 286.803 2.009 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000775735675 646985769 /nfs/dbraw/zinc/98/57/69/646985769.db2.gz BFMHNYDZRGIPGF-WFASDCNBSA-N 1 0 277.364 2.402 20 10 CECDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(F)ccc1O ZINC000775988550 647014819 /nfs/dbraw/zinc/01/48/19/647014819.db2.gz YRJYZZSSQILFQT-WDEREUQCSA-N 1 0 252.333 2.056 20 10 CECDRO C[C@H](NC(=O)NCCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776096646 647022375 /nfs/dbraw/zinc/02/23/75/647022375.db2.gz OMJNKTFRRGAAPS-ZDUSSCGKSA-N 1 0 292.427 2.065 20 10 CECDRO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000776168038 647030723 /nfs/dbraw/zinc/03/07/23/647030723.db2.gz AGBHIQJHHHPBDI-ZDUSSCGKSA-N 1 0 299.422 2.459 20 10 CECDRO Cc1cccc(C[NH2+]CCC2CCS(=O)(=O)CC2)c1O ZINC000776251844 647042676 /nfs/dbraw/zinc/04/26/76/647042676.db2.gz DQZWBIJMELFJNF-UHFFFAOYSA-N 1 0 297.420 2.005 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@H]2OC)cc1OC ZINC000776257553 647043368 /nfs/dbraw/zinc/04/33/68/647043368.db2.gz YFXBDDNGPIUTFU-SMDDNHRTSA-N 1 0 295.379 2.314 20 10 CECDRO OCC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779014877 647282446 /nfs/dbraw/zinc/28/24/46/647282446.db2.gz QSXFAPDSZIDWIP-NSHDSACASA-N 1 0 253.317 2.126 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000865694647 647427447 /nfs/dbraw/zinc/42/74/47/647427447.db2.gz VEBNVPOTCSOBAO-SERXHIIQSA-N 1 0 259.349 2.214 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCC=CO2)cc1OC ZINC000783704119 647749984 /nfs/dbraw/zinc/74/99/84/647749984.db2.gz AFNCRWHRXFWMMZ-GFCCVEGCSA-N 1 0 279.336 2.192 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccccc1O ZINC000866412925 647779158 /nfs/dbraw/zinc/77/91/58/647779158.db2.gz OAEATXDGIRALNE-DZGCQCFKSA-N 1 0 292.423 2.278 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)c2c1c(F)ccc2O ZINC000866415920 647779993 /nfs/dbraw/zinc/77/99/93/647779993.db2.gz IKSAVTGBIUBVEL-MWGHHZFTSA-N 1 0 265.328 2.440 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)c1O ZINC000866442012 647788206 /nfs/dbraw/zinc/78/82/06/647788206.db2.gz BRVMZFBYTNFOSC-PSASIEDQSA-N 1 0 275.295 2.068 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000866463641 647796714 /nfs/dbraw/zinc/79/67/14/647796714.db2.gz OPSFALXZODBGGS-JOAULVNJSA-N 1 0 293.285 2.363 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(C)c2O)[C@H]1C ZINC000787420883 648107341 /nfs/dbraw/zinc/10/73/41/648107341.db2.gz LZZBEXWNEDRLAL-AAEUAGOBSA-N 1 0 263.337 2.084 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H]2C)c1O ZINC000788271126 648168164 /nfs/dbraw/zinc/16/81/64/648168164.db2.gz YODKCHKVQUFAHU-BXKDBHETSA-N 1 0 255.745 2.309 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@]2(C)CO)c1 ZINC000789558599 648317229 /nfs/dbraw/zinc/31/72/29/648317229.db2.gz ZTYBSLUEPUHDGU-HNNXBMFYSA-N 1 0 265.353 2.138 20 10 CECDRO COc1ccc(C[NH2+]Cc2cccc(OC)c2O)c(O)c1 ZINC000793389098 648748981 /nfs/dbraw/zinc/74/89/81/648748981.db2.gz VPDFWBAHRIXFBO-UHFFFAOYSA-N 1 0 289.331 2.405 20 10 CECDRO COC1(C[NH2+]Cc2cc(C)c(C)cc2O)CCOCC1 ZINC000123135524 648818724 /nfs/dbraw/zinc/81/87/24/648818724.db2.gz KFYUYAVMQXUSIZ-UHFFFAOYSA-N 1 0 279.380 2.294 20 10 CECDRO C[C@H](NC(=O)CCCCCC[NH3+])c1ccccc1O ZINC000870988532 648971273 /nfs/dbraw/zinc/97/12/73/648971273.db2.gz RUUBXYVSHBEVCF-LBPRGKRZSA-N 1 0 264.369 2.479 20 10 CECDRO C[C@@H](NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])c1ccccc1O ZINC000870988474 648971298 /nfs/dbraw/zinc/97/12/98/648971298.db2.gz QPFKKVBWPMONMD-AXAPSJFSSA-N 1 0 276.380 2.477 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1O ZINC000870988670 648971301 /nfs/dbraw/zinc/97/13/01/648971301.db2.gz WKCSNMFZBVQOSR-BYCMXARLSA-N 1 0 288.391 2.205 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccccc1O ZINC000870988278 648971307 /nfs/dbraw/zinc/97/13/07/648971307.db2.gz LEGXVUSLORCYRP-MLGOLLRUSA-N 1 0 296.370 2.456 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3CSC[C@H]3C1)OCO2 ZINC000872723534 649469429 /nfs/dbraw/zinc/46/94/29/649469429.db2.gz ZOWNJQTVXGAXIB-ZYHUDNBSSA-N 1 0 293.388 2.306 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1C ZINC000873008762 649530540 /nfs/dbraw/zinc/53/05/40/649530540.db2.gz CLXQPOMSWAHSIK-AWEZNQCLSA-N 1 0 297.420 2.061 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H]2C[C@H](O)C2)c(Cl)c1 ZINC000873178425 649579847 /nfs/dbraw/zinc/57/98/47/649579847.db2.gz RUSDEAZSRJFBHS-MGCOHNPYSA-N 1 0 255.745 2.215 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)c2nccnc2C)c1O ZINC000873188497 649583122 /nfs/dbraw/zinc/58/31/22/649583122.db2.gz IQFVTWLUWQXRRR-NSHDSACASA-N 1 0 273.336 2.350 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cc(F)cc(F)c1[O-] ZINC000873252083 649610250 /nfs/dbraw/zinc/61/02/50/649610250.db2.gz PCNGKUVGLHUOET-MRTMQBJTSA-N 1 0 256.296 2.058 20 10 CECDRO CCN(C#N)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000878455287 651101726 /nfs/dbraw/zinc/10/17/26/651101726.db2.gz VJSIGSOQXAOZOQ-CYBMUJFWSA-N 1 0 260.385 2.206 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)COCc1ccco1)c1ccccc1O ZINC000879648732 651335266 /nfs/dbraw/zinc/33/52/66/651335266.db2.gz BFIJXCSMBFESOU-CHWSQXEVSA-N 1 0 291.347 2.214 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c1O ZINC000880145156 651391974 /nfs/dbraw/zinc/39/19/74/651391974.db2.gz HZCDCZPKGOHTCN-LBPRGKRZSA-N 1 0 295.354 2.327 20 10 CECDRO CN(C)c1ccc(Cn2cc([C@H]([NH3+])C(C)(C)C)nn2)cc1 ZINC000881272175 651658049 /nfs/dbraw/zinc/65/80/49/651658049.db2.gz PGHIHZJNUNZZDH-HNNXBMFYSA-N 1 0 287.411 2.438 20 10 CECDRO Cc1cc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)ccc1N(C)C ZINC000881377140 651701810 /nfs/dbraw/zinc/70/18/10/651701810.db2.gz FVRDQWPFDBLYJC-HNNXBMFYSA-N 1 0 299.422 2.168 20 10 CECDRO C[NH+](C)CCn1cc(NCc2cc(F)cc(F)c2O)cn1 ZINC000882967062 652294400 /nfs/dbraw/zinc/29/44/00/652294400.db2.gz VBFRNARPZUXTEB-UHFFFAOYSA-N 1 0 296.321 2.041 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000883255774 652416064 /nfs/dbraw/zinc/41/60/64/652416064.db2.gz DTPLNCIIFWHQOB-OAHLLOKOSA-N 1 0 291.391 2.458 20 10 CECDRO CC(C)NC(=O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000134491700 652847388 /nfs/dbraw/zinc/84/73/88/652847388.db2.gz OTBZTRUMGXNNFS-UHFFFAOYSA-N 1 0 270.760 2.050 20 10 CECDRO CC[C@]1(C(=O)NCc2ccc(N(C)C)cc2C)CCC[NH2+]1 ZINC000134607361 652861463 /nfs/dbraw/zinc/86/14/63/652861463.db2.gz YXSHIWGMDHSJOQ-QGZVFWFLSA-N 1 0 289.423 2.209 20 10 CECDRO C[C@H]([NH2+]CC(=O)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000135108373 652929672 /nfs/dbraw/zinc/92/96/72/652929672.db2.gz DKYYCXQCQRQQOY-AWEZNQCLSA-N 1 0 289.423 2.416 20 10 CECDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(O)c1O)C2 ZINC001168245100 806437567 /nfs/dbraw/zinc/43/75/67/806437567.db2.gz UKMZUTQVXLSTAL-CQSZACIVSA-N 1 0 285.343 2.363 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@@H]3C)CC2)c(OC)c1 ZINC001209426377 802522739 /nfs/dbraw/zinc/52/27/39/802522739.db2.gz KEYIWQIRUAWVFF-KBPBESRZSA-N 1 0 290.407 2.482 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)[C@@H]1CO ZINC001140057768 802549683 /nfs/dbraw/zinc/54/96/83/802549683.db2.gz LJOAXTFMIMDZBC-ZWNOBZJWSA-N 1 0 253.317 2.124 20 10 CECDRO C[NH+]1CCN(c2ccc(CNc3cncc(N)c3)cc2)CC1 ZINC001167434861 802812617 /nfs/dbraw/zinc/81/26/17/802812617.db2.gz WQYQEXNCWLSYHR-UHFFFAOYSA-N 1 0 297.406 2.028 20 10 CECDRO C[C@]1([NH3+])CCN(Cc2c(O)cccc2Br)C1 ZINC000706867029 802847070 /nfs/dbraw/zinc/84/70/70/802847070.db2.gz LQYUESCEZLLGAK-LBPRGKRZSA-N 1 0 285.185 2.078 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC(=O)N(C)C2)c(O)c1 ZINC000723543901 802884250 /nfs/dbraw/zinc/88/42/50/802884250.db2.gz BIMSUAIZIKDSEO-CHWSQXEVSA-N 1 0 276.380 2.220 20 10 CECDRO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(F)ccc1O ZINC000723547377 802885556 /nfs/dbraw/zinc/88/55/56/802885556.db2.gz HBPHMDKIZBQWIP-MNOVXSKESA-N 1 0 280.343 2.050 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000724624241 803218867 /nfs/dbraw/zinc/21/88/67/803218867.db2.gz CKNANUCSQRQEMG-PJXYFTJBSA-N 1 0 265.353 2.446 20 10 CECDRO CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000724920034 803347697 /nfs/dbraw/zinc/34/76/97/803347697.db2.gz CRJYMUZZLIVBFE-CYBMUJFWSA-N 1 0 292.379 2.491 20 10 CECDRO CC[C@@H]([NH2+]CC[C@H](COC)OC)c1ccccc1O ZINC000694313415 803529903 /nfs/dbraw/zinc/52/99/03/803529903.db2.gz UYEHGLVEJVXINH-TZMCWYRMSA-N 1 0 267.369 2.484 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC001117779002 814948184 /nfs/dbraw/zinc/94/81/84/814948184.db2.gz CWQRAJSMMCSADS-XQHKEYJVSA-N 1 0 288.391 2.493 20 10 CECDRO C[C@@H]([NH2+]Cc1ccccc1O)c1nnc2ccccn21 ZINC000036968882 814959057 /nfs/dbraw/zinc/95/90/57/814959057.db2.gz XFTWUHJHRMEWQF-LLVKDONJSA-N 1 0 268.320 2.286 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC001141158524 803760632 /nfs/dbraw/zinc/76/06/32/803760632.db2.gz CLNYFRPRFQHRCO-CYBMUJFWSA-N 1 0 270.332 2.482 20 10 CECDRO NC[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001117954017 814968528 /nfs/dbraw/zinc/96/85/28/814968528.db2.gz XFGFHURYQAPGJF-INIZCTEOSA-N 1 0 259.397 2.114 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCOC(F)(F)F)c1 ZINC000398150457 803853711 /nfs/dbraw/zinc/85/37/11/803853711.db2.gz AKIJGORQURJRHN-UHFFFAOYSA-N 1 0 265.231 2.027 20 10 CECDRO CN(C)c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996434 814978672 /nfs/dbraw/zinc/97/86/72/814978672.db2.gz CNODLFNIZNNMRS-DLBZAZTESA-N 1 0 273.424 2.469 20 10 CECDRO c1cc(C[NH2+][C@@H]2CCCC23OCCO3)cc2c1OCC2 ZINC000715636770 814979139 /nfs/dbraw/zinc/97/91/39/814979139.db2.gz VCJAXBKDHJVLIU-OAHLLOKOSA-N 1 0 275.348 2.007 20 10 CECDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(N2CCCC2)cc1 ZINC001118242018 814996956 /nfs/dbraw/zinc/99/69/56/814996956.db2.gz UULVZHSFMSBSHQ-KRWDZBQOSA-N 1 0 273.424 2.471 20 10 CECDRO COc1ccc(N2CCC([NH2+]Cc3cc[nH]n3)CC2)cc1 ZINC000066992268 804483481 /nfs/dbraw/zinc/48/34/81/804483481.db2.gz UOXYEHFUHQOTBS-UHFFFAOYSA-N 1 0 286.379 2.177 20 10 CECDRO CC(C)C[NH+]1CCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232836037 807323413 /nfs/dbraw/zinc/32/34/13/807323413.db2.gz KKIYGBXNHCCPOG-UHFFFAOYSA-N 1 0 291.439 2.232 20 10 CECDRO O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1Cc2cccc(O)c2C1 ZINC000913726563 807518844 /nfs/dbraw/zinc/51/88/44/807518844.db2.gz RNZPJNCBNDHOJV-UKRRQHHQSA-N 1 0 286.375 2.251 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)c(O)c1 ZINC000716775368 815146225 /nfs/dbraw/zinc/14/62/25/815146225.db2.gz UEOKFEVKLPSOKH-MWLCHTKSSA-N 1 0 259.296 2.367 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000037362896 815147295 /nfs/dbraw/zinc/14/72/95/815147295.db2.gz JEVYDNXPFKFMDS-UHFFFAOYSA-N 1 0 270.332 2.315 20 10 CECDRO CCc1cccc(C[NH2+][C@](C)(CO)C(C)C)c1O ZINC000691472842 807893106 /nfs/dbraw/zinc/89/31/06/807893106.db2.gz DBBCPLSSFAKCJE-OAHLLOKOSA-N 1 0 251.370 2.451 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c(Cl)c1 ZINC001236797196 808166632 /nfs/dbraw/zinc/16/66/32/808166632.db2.gz CYMJMFTUCQEHCD-YMTOWFKASA-N 1 0 285.771 2.257 20 10 CECDRO Cc1cc(F)cc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c1O ZINC001206145727 815211608 /nfs/dbraw/zinc/21/16/08/815211608.db2.gz KEVUUSGVULTUEX-NSHDSACASA-N 1 0 274.286 2.008 20 10 CECDRO Nc1ccc(C[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC001120370557 815217743 /nfs/dbraw/zinc/21/77/43/815217743.db2.gz AIUYQINLXSNKOQ-HNNXBMFYSA-N 1 0 254.333 2.362 20 10 CECDRO CCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)CC1=O ZINC001172027360 815272480 /nfs/dbraw/zinc/27/24/80/815272480.db2.gz VLDNXDVTZVUWNC-RYUDHWBXSA-N 1 0 262.353 2.054 20 10 CECDRO C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])C[NH+]1CCCC1 ZINC000700779729 809348993 /nfs/dbraw/zinc/34/89/93/809348993.db2.gz CEBURRCIPWBNDR-NSHDSACASA-N 1 0 284.350 2.492 20 10 CECDRO C[N@@H+]1C[C@@H]2CN(Cc3c(O)cccc3Cl)C[C@]2(C)C1 ZINC000702415045 809551982 /nfs/dbraw/zinc/55/19/82/809551982.db2.gz MXGKVJHJXJKPSY-ABAIWWIYSA-N 1 0 280.799 2.429 20 10 CECDRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000703545289 809661067 /nfs/dbraw/zinc/66/10/67/809661067.db2.gz FKJRQINPGXOLAG-GFCCVEGCSA-N 1 0 297.420 2.319 20 10 CECDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)c1ccc(N)cc1 ZINC000706291731 809817813 /nfs/dbraw/zinc/81/78/13/809817813.db2.gz SAEMOLVLXQAZOH-RYUDHWBXSA-N 1 0 261.369 2.104 20 10 CECDRO Oc1cccc(Br)c1C[NH2+]CCn1cccn1 ZINC000706809040 809855933 /nfs/dbraw/zinc/85/59/33/809855933.db2.gz JGCWMECBDQRLJY-UHFFFAOYSA-N 1 0 296.168 2.141 20 10 CECDRO CN1CCC[C@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000706855609 809857589 /nfs/dbraw/zinc/85/75/89/809857589.db2.gz IFLZOTOYDDSCBR-JTQLQIEISA-N 1 0 299.212 2.339 20 10 CECDRO CN1CCC[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706855630 809857953 /nfs/dbraw/zinc/85/79/53/809857953.db2.gz IOKZQZZPXAZRJW-SNVBAGLBSA-N 1 0 299.212 2.339 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000708381437 809928581 /nfs/dbraw/zinc/92/85/81/809928581.db2.gz AUVITDCDMHHUTB-AWEZNQCLSA-N 1 0 269.291 2.283 20 10 CECDRO C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccccc1O ZINC000708660846 809933170 /nfs/dbraw/zinc/93/31/70/809933170.db2.gz WVJKGPZXCIKFAX-FZMZJTMJSA-N 1 0 274.364 2.196 20 10 CECDRO CC[NH+]1CCC(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708558481 809945561 /nfs/dbraw/zinc/94/55/61/809945561.db2.gz GQTFJFQRSJOUKJ-UHFFFAOYSA-N 1 0 284.350 2.492 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381332407 810328683 /nfs/dbraw/zinc/32/86/83/810328683.db2.gz BTZNKBSPVGNBTI-GXFFZTMASA-N 1 0 266.772 2.229 20 10 CECDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccccc2O)C1 ZINC000822921521 810600251 /nfs/dbraw/zinc/60/02/51/810600251.db2.gz UTLYHVNZGSGUKR-AWEZNQCLSA-N 1 0 276.380 2.130 20 10 CECDRO C[C@H]1[NH2+]CCN(Cc2cc(Cl)ccc2O)[C@H]1C ZINC000379501897 811051148 /nfs/dbraw/zinc/05/11/48/811051148.db2.gz WWQPNGIJJIBBJI-ZJUUUORDSA-N 1 0 254.761 2.228 20 10 CECDRO C[C@@H]1[NH2+]CCN(Cc2cc(Cl)ccc2O)[C@H]1C ZINC000379501894 811051474 /nfs/dbraw/zinc/05/14/74/811051474.db2.gz WWQPNGIJJIBBJI-UWVGGRQHSA-N 1 0 254.761 2.228 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H](OC)C(C)C)c1 ZINC000381921625 811110302 /nfs/dbraw/zinc/11/03/02/811110302.db2.gz PBTJUGPZUXKRGF-AWEZNQCLSA-N 1 0 253.342 2.161 20 10 CECDRO C[C@@H](CCO)C[NH2+]Cc1ccc(Br)cc1O ZINC000691454910 811858572 /nfs/dbraw/zinc/85/85/72/811858572.db2.gz NCKABJTUPNEMMF-VIFPVBQESA-N 1 0 288.185 2.263 20 10 CECDRO [NH3+]CCc1ccccc1NCc1ccc(O)c(O)c1 ZINC001169996503 811876096 /nfs/dbraw/zinc/87/60/96/811876096.db2.gz AKEFXVSQONYCBC-UHFFFAOYSA-N 1 0 258.321 2.211 20 10 CECDRO CCc1cccc(C[NH2+]CCO[C@H]2CC2(F)F)c1O ZINC000691491965 811958146 /nfs/dbraw/zinc/95/81/46/811958146.db2.gz GDMBQSZKZZNYIF-LBPRGKRZSA-N 1 0 271.307 2.468 20 10 CECDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000398595965 812259578 /nfs/dbraw/zinc/25/95/78/812259578.db2.gz WZYNMSXOJLENPB-OAHLLOKOSA-N 1 0 250.386 2.249 20 10 CECDRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2O)CC1 ZINC001172791623 815523375 /nfs/dbraw/zinc/52/33/75/815523375.db2.gz MITQGXNRSPFEIB-AAEUAGOBSA-N 1 0 293.363 2.309 20 10 CECDRO Cc1cc(C)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)c1 ZINC001206182828 815559281 /nfs/dbraw/zinc/55/92/81/815559281.db2.gz DNVUOKSTUCHPOU-KGLIPLIRSA-N 1 0 266.360 2.270 20 10 CECDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000384408145 813119907 /nfs/dbraw/zinc/11/99/07/813119907.db2.gz WASURQQSAYXJGG-HNNXBMFYSA-N 1 0 292.423 2.021 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1O ZINC000384978273 813127930 /nfs/dbraw/zinc/12/79/30/813127930.db2.gz UHNODNVPYPEYIF-NTZNESFSSA-N 1 0 265.353 2.446 20 10 CECDRO CC1(C)[C@@H]2C[C@H]([NH2+]C[C@H](O)c3ccc(O)c(O)c3)C[C@@H]21 ZINC001170712671 813179359 /nfs/dbraw/zinc/17/93/59/813179359.db2.gz LUQGCHLDQDZDHC-OXIQGZBJSA-N 1 0 277.364 2.155 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)[C@H](OC)C2CC2)c1O ZINC000388240154 813233853 /nfs/dbraw/zinc/23/38/53/813233853.db2.gz QJRJWVJHONMUFP-BMIGLBTASA-N 1 0 265.353 2.304 20 10 CECDRO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CN2CCC1CC2 ZINC000388632781 813241368 /nfs/dbraw/zinc/24/13/68/813241368.db2.gz VZZHQQKJEWBZBH-AWEZNQCLSA-N 1 0 264.344 2.057 20 10 CECDRO COC1CC([NH2+]CCCSc2nccs2)C1 ZINC000390624900 813267422 /nfs/dbraw/zinc/26/74/22/813267422.db2.gz JMMPKUXCEVBQDS-UHFFFAOYSA-N 1 0 258.412 2.392 20 10 CECDRO CCN1C[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000391552899 813285931 /nfs/dbraw/zinc/28/59/31/813285931.db2.gz UUYHGPAROUKKCV-TZMCWYRMSA-N 1 0 275.396 2.024 20 10 CECDRO CN(C)c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217641206 813376181 /nfs/dbraw/zinc/37/61/81/813376181.db2.gz CNODLFNIZNNMRS-SJORKVTESA-N 1 0 273.424 2.469 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CS1 ZINC000397819821 813639391 /nfs/dbraw/zinc/63/93/91/813639391.db2.gz DLXAKJUHAPULHC-SCZZXKLOSA-N 1 0 267.350 2.105 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CS[C@H](C)C2)c1 ZINC000397962966 813650269 /nfs/dbraw/zinc/65/02/69/813650269.db2.gz ISFXLPLUKNATKP-KOLCDFICSA-N 1 0 253.367 2.384 20 10 CECDRO C[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001255633413 813820526 /nfs/dbraw/zinc/82/05/26/813820526.db2.gz RUIXQWGFDDYYTF-CPCISQLKSA-N 1 0 279.258 2.062 20 10 CECDRO Cc1cc(C)c(CNC(=O)CC2CC[NH+](C)CC2)c(O)c1 ZINC001143360336 813854415 /nfs/dbraw/zinc/85/44/15/813854415.db2.gz JHPNDJMMZPUPMJ-UHFFFAOYSA-N 1 0 290.407 2.357 20 10 CECDRO CC1(F)CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144499848 814089900 /nfs/dbraw/zinc/08/99/00/814089900.db2.gz LYDUJLDVUCSOGB-UHFFFAOYSA-N 1 0 255.289 2.127 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)c(O)c1 ZINC001144504186 814092833 /nfs/dbraw/zinc/09/28/33/814092833.db2.gz NJYKCRFKEIPPKS-GFCCVEGCSA-N 1 0 291.269 2.373 20 10 CECDRO C[N@@H+](Cc1c(O)cc(O)cc1O)CC1CC(F)(F)C1 ZINC001144514399 814098002 /nfs/dbraw/zinc/09/80/02/814098002.db2.gz BLGSYVQNIBUFOZ-UHFFFAOYSA-N 1 0 273.279 2.281 20 10 CECDRO Oc1ccccc1C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173122146 815587122 /nfs/dbraw/zinc/58/71/22/815587122.db2.gz UEIXXMSGWBDJSI-NSHDSACASA-N 1 0 260.362 2.496 20 10 CECDRO COC(=O)CC(C)(C)[N@H+](C)Cc1cccc(OC)c1O ZINC001116443656 814854242 /nfs/dbraw/zinc/85/42/42/814854242.db2.gz FNJSYRXFTKYTKV-UHFFFAOYSA-N 1 0 281.352 2.174 20 10 CECDRO O=c1[nH]cccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000714954663 814923679 /nfs/dbraw/zinc/92/36/79/814923679.db2.gz WAAYPLMBWMIVTP-GFCCVEGCSA-N 1 0 256.305 2.270 20 10 CECDRO CCN(CCC[NH+](C)C)Cc1c(O)cccc1F ZINC001137839860 815694557 /nfs/dbraw/zinc/69/45/57/815694557.db2.gz MKUMSEHKBQKGSD-UHFFFAOYSA-N 1 0 254.349 2.305 20 10 CECDRO COC(=O)CCCC[C@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001173440731 815716678 /nfs/dbraw/zinc/71/66/78/815716678.db2.gz IYIIXXDGXFFWGD-LBPRGKRZSA-N 1 0 295.379 2.352 20 10 CECDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001173634984 815774158 /nfs/dbraw/zinc/77/41/58/815774158.db2.gz HYMPKCVAACGLBB-DGCLKSJQSA-N 1 0 293.363 2.309 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3C[C@H](F)C[C@H](CO)C3)ccc21 ZINC001138354840 815774714 /nfs/dbraw/zinc/77/47/14/815774714.db2.gz WMMPPJJLLSNSPI-GOEBONIOSA-N 1 0 292.398 2.221 20 10 CECDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001139674513 816077682 /nfs/dbraw/zinc/07/76/82/816077682.db2.gz UEYNNKLSGJVCLM-INIZCTEOSA-N 1 0 289.423 2.162 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)[C@H]1C ZINC001140055091 816178709 /nfs/dbraw/zinc/17/87/09/816178709.db2.gz HYBNBMIRQXCDTF-GXFFZTMASA-N 1 0 281.327 2.305 20 10 CECDRO C[C@@]1(O)CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140058343 816180369 /nfs/dbraw/zinc/18/03/69/816180369.db2.gz XABHZVPLTKDVLZ-CQSZACIVSA-N 1 0 253.317 2.268 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@@]1(C)O ZINC001140057814 816181431 /nfs/dbraw/zinc/18/14/31/816181431.db2.gz OIZZKWRAPGRKSR-QMTHXVAHSA-N 1 0 253.317 2.124 20 10 CECDRO Oc1cccc(Br)c1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001140102782 816191053 /nfs/dbraw/zinc/19/10/53/816191053.db2.gz ZGFNIXHBXQCVPJ-SNVBAGLBSA-N 1 0 297.196 2.045 20 10 CECDRO O=C1NC[C@]2(CCC[N@@H+](Cc3c(O)cccc3Cl)C2)O1 ZINC001140341256 816237955 /nfs/dbraw/zinc/23/79/55/816237955.db2.gz HBOIYWHPFKGBTC-AWEZNQCLSA-N 1 0 296.754 2.120 20 10 CECDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140341572 816238936 /nfs/dbraw/zinc/23/89/36/816238936.db2.gz WVJVHMFFCXMHQB-VHSXEESVSA-N 1 0 255.745 2.391 20 10 CECDRO OC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461044 816258924 /nfs/dbraw/zinc/25/89/24/816258924.db2.gz CIALUHRQQUCHOK-JTQLQIEISA-N 1 0 255.745 2.250 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CCC(=O)[C@@H](F)CC2)c1 ZINC001140619324 816305054 /nfs/dbraw/zinc/30/50/54/816305054.db2.gz AQQSEACYESBMCD-LBPRGKRZSA-N 1 0 251.301 2.204 20 10 CECDRO Cc1noc([C@@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)n1 ZINC001140623585 816306126 /nfs/dbraw/zinc/30/61/26/816306126.db2.gz XBOKAHXWLYAKKZ-GFCCVEGCSA-N 1 0 273.336 2.382 20 10 CECDRO C[C@@H]1CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660168 816315076 /nfs/dbraw/zinc/31/50/76/816315076.db2.gz HZRASYMAAXHGKQ-GFCCVEGCSA-N 1 0 264.344 2.257 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c1O ZINC001140744362 816339614 /nfs/dbraw/zinc/33/96/14/816339614.db2.gz UUYQJRWRXQXSMS-WFASDCNBSA-N 1 0 277.364 2.407 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1O ZINC001140747648 816340694 /nfs/dbraw/zinc/34/06/94/816340694.db2.gz HMPDWHCGWGYWEX-SMDDNHRTSA-N 1 0 263.337 2.017 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CCC(n3cccn3)CC2)c1O ZINC001140747731 816341244 /nfs/dbraw/zinc/34/12/44/816341244.db2.gz KAHTWESPAVOBNF-UHFFFAOYSA-N 1 0 287.363 2.440 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)c1O ZINC001140748185 816341446 /nfs/dbraw/zinc/34/14/46/816341446.db2.gz UFWCSSGJPBVFRU-CYBMUJFWSA-N 1 0 295.354 2.499 20 10 CECDRO Cc1c(O)ccc(C[N@H+](C)CCc2ccncc2)c1O ZINC001140745823 816341818 /nfs/dbraw/zinc/34/18/18/816341818.db2.gz NVWYKIWHZDWMEQ-UHFFFAOYSA-N 1 0 272.348 2.476 20 10 CECDRO COC(=O)CC[C@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749014 816342459 /nfs/dbraw/zinc/34/24/59/816342459.db2.gz OHJWJYUOKQNXJV-LBPRGKRZSA-N 1 0 293.363 2.181 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](CCO)C2)c1O ZINC001140748785 816342635 /nfs/dbraw/zinc/34/26/35/816342635.db2.gz JZNWAVHSNXIISZ-GFCCVEGCSA-N 1 0 265.353 2.001 20 10 CECDRO Cc1c(O)ccc(CN(C)Cc2cscn2)c1O ZINC001140748829 816343994 /nfs/dbraw/zinc/34/39/94/816343994.db2.gz LCCHRIIIMQSFRE-UHFFFAOYSA-N 1 0 264.350 2.495 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001140751445 816345279 /nfs/dbraw/zinc/34/52/79/816345279.db2.gz WTIXJKRGLADZEA-DGCLKSJQSA-N 1 0 275.348 2.207 20 10 CECDRO Cc1ccc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1 ZINC001140950345 816422077 /nfs/dbraw/zinc/42/20/77/816422077.db2.gz ZAETYQAYOXBMOL-AWEZNQCLSA-N 1 0 276.380 2.001 20 10 CECDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140950940 816423354 /nfs/dbraw/zinc/42/33/54/816423354.db2.gz PYVZZEXHQIKYJQ-OCCSQVGLSA-N 1 0 277.364 2.474 20 10 CECDRO Cc1ccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c(O)c1 ZINC001140957620 816425335 /nfs/dbraw/zinc/42/53/35/816425335.db2.gz FLZDPURUDFWHHM-UHFFFAOYSA-N 1 0 284.359 2.402 20 10 CECDRO Oc1cccc(Nc2cnn(CC[NH+]3CCCC3)c2)c1O ZINC001176560996 816441419 /nfs/dbraw/zinc/44/14/19/816441419.db2.gz XLKPYMJZKJKFOR-UHFFFAOYSA-N 1 0 288.351 2.134 20 10 CECDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141141534 816484467 /nfs/dbraw/zinc/48/44/67/816484467.db2.gz ZTUIKVLVUQEZFJ-DGCLKSJQSA-N 1 0 264.344 2.448 20 10 CECDRO CCOC(=O)C[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156607 816490803 /nfs/dbraw/zinc/49/08/03/816490803.db2.gz OKPZUPLCEOPMRK-GFCCVEGCSA-N 1 0 293.363 2.263 20 10 CECDRO CCC[NH+]1C[C@H]2CN(Cc3cc(F)c(F)cc3O)C[C@@H]2C1 ZINC001142531087 816680848 /nfs/dbraw/zinc/68/08/48/816680848.db2.gz PJBAJRAUVUCNLC-STQMWFEESA-N 1 0 296.361 2.444 20 10 CECDRO Cc1cc(C)c(CNC(=O)[C@@H]2CC3CC[NH+]2CC3)c(O)c1 ZINC001142637846 816698753 /nfs/dbraw/zinc/69/87/53/816698753.db2.gz RVDCBSCUXQZVFI-HNNXBMFYSA-N 1 0 288.391 2.110 20 10 CECDRO CC(C)(C)c1cccc(C[N@@H+]2CCOC[C@@](C)(O)C2)c1O ZINC001143103958 816785683 /nfs/dbraw/zinc/78/56/83/816785683.db2.gz NUQGSYZZNQKVER-KRWDZBQOSA-N 1 0 293.407 2.273 20 10 CECDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@@H]1CCCCNC1=O ZINC000123894039 365643184 /nfs/dbraw/zinc/64/31/84/365643184.db2.gz IQNHRNGXEUZUEM-GFCCVEGCSA-N 1 0 282.771 2.146 20 10 CECDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037273390 361902752 /nfs/dbraw/zinc/90/27/52/361902752.db2.gz RQFSOJJWCMUCQC-HUUCEWRRSA-N 1 0 291.439 2.124 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000296698307 529781105 /nfs/dbraw/zinc/78/11/05/529781105.db2.gz IBELCDYCLAHTBA-HOCLYGCPSA-N 1 0 289.423 2.276 20 10 CECDRO COCC[N@H+](Cc1ccccn1)Cc1ccccc1O ZINC000196205584 344524139 /nfs/dbraw/zinc/52/41/39/344524139.db2.gz RKKQWCXWJQMYEF-UHFFFAOYSA-N 1 0 272.348 2.436 20 10 CECDRO CCC(CC)(CO)[NH2+]Cc1cccc(OC)c1O ZINC000053047093 362478872 /nfs/dbraw/zinc/47/88/72/362478872.db2.gz GUIDMIWZDSIUAR-UHFFFAOYSA-N 1 0 253.342 2.042 20 10 CECDRO CCC(=O)N1CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000128729190 365802848 /nfs/dbraw/zinc/80/28/48/365802848.db2.gz QPIICEUQEZVPJC-UHFFFAOYSA-N 1 0 290.407 2.453 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000152757287 366713219 /nfs/dbraw/zinc/71/32/19/366713219.db2.gz HHYFRTAETOBUOW-WZRBSPASSA-N 1 0 253.729 2.455 20 10 CECDRO CCOCCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000019962991 361570330 /nfs/dbraw/zinc/57/03/30/361570330.db2.gz FROAUMJTDIVXHR-NSHDSACASA-N 1 0 253.342 2.478 20 10 CECDRO CCOc1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1O ZINC000156077922 366826733 /nfs/dbraw/zinc/82/67/33/366826733.db2.gz HMAXXAGWXZGUCV-DZGCQCFKSA-N 1 0 290.407 2.459 20 10 CECDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(C)ccc3O)[C@H]2C1 ZINC000092097058 364074908 /nfs/dbraw/zinc/07/49/08/364074908.db2.gz XQNCVYVCCLLOJH-HLLBOEOZSA-N 1 0 291.391 2.469 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[C@H](O)COC)cc1 ZINC000090953007 364066963 /nfs/dbraw/zinc/06/69/63/364066963.db2.gz NBISAXNUFLYTCR-BBRMVZONSA-N 1 0 280.412 2.191 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000093820662 364232352 /nfs/dbraw/zinc/23/23/52/364232352.db2.gz CAPHPLFFLRHYAN-INIZCTEOSA-N 1 0 277.364 2.403 20 10 CECDRO C[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2O)C1 ZINC000111236477 364726516 /nfs/dbraw/zinc/72/65/16/364726516.db2.gz RPFFRVNXDPJMMV-CYBMUJFWSA-N 1 0 276.380 2.083 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000245939863 370891063 /nfs/dbraw/zinc/89/10/63/370891063.db2.gz UDUFRDGOFBHYJV-CABCVRRESA-N 1 0 277.364 2.080 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCCN(C3CC3)CC2)c1 ZINC000179732756 368348684 /nfs/dbraw/zinc/34/86/84/368348684.db2.gz OILNDIGVWCWGDG-UHFFFAOYSA-N 1 0 290.407 2.461 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCn2cc(C)cn2)c1 ZINC000182434418 368561349 /nfs/dbraw/zinc/56/13/49/368561349.db2.gz MAGNTQVPYVQJJP-LBPRGKRZSA-N 1 0 275.352 2.257 20 10 CECDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1O ZINC000183325963 368621992 /nfs/dbraw/zinc/62/19/92/368621992.db2.gz ZVAYQLGGTJESNY-JTQLQIEISA-N 1 0 290.285 2.111 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCSCCCO)c1 ZINC000185378723 368799879 /nfs/dbraw/zinc/79/98/79/368799879.db2.gz YAVLNVBOAWATMH-NSHDSACASA-N 1 0 285.409 2.167 20 10 CECDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(O)c1O ZINC000187091526 369099998 /nfs/dbraw/zinc/09/99/98/369099998.db2.gz KEDIIYMBFGKJIV-LBPRGKRZSA-N 1 0 292.379 2.092 20 10 CECDRO COCCO[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000188920762 369428971 /nfs/dbraw/zinc/42/89/71/369428971.db2.gz XCSXBNTUQCTMCJ-OAHLLOKOSA-N 1 0 279.380 2.246 20 10 CECDRO COC(=O)[C@@H](C)[N@H+](Cc1ccccc1O)C1CCC1 ZINC000191641107 369729082 /nfs/dbraw/zinc/72/90/82/369729082.db2.gz MCOJOFSQMVLCPE-LLVKDONJSA-N 1 0 263.337 2.308 20 10 CECDRO COC(=O)[C@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(F)ccc1O ZINC000191674275 369732795 /nfs/dbraw/zinc/73/27/95/369732795.db2.gz MHPRNXJMKIWPBL-WDBKCZKBSA-N 1 0 293.338 2.305 20 10 CECDRO COc1cccc(C[NH2+]CCCn2ccnc2C)c1O ZINC000263658675 371944457 /nfs/dbraw/zinc/94/44/57/371944457.db2.gz GUPIGNCTUAOUFL-UHFFFAOYSA-N 1 0 275.352 2.086 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c(O)c1 ZINC000367436858 373153596 /nfs/dbraw/zinc/15/35/96/373153596.db2.gz HMKREBBJDLCNFP-PZSREKOKSA-N 1 0 288.391 2.408 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCNC(=O)C[C@H]1C ZINC000367668370 373178791 /nfs/dbraw/zinc/17/87/91/373178791.db2.gz HMWYWGOUOLXXLY-YPMHNXCESA-N 1 0 262.353 2.054 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1F ZINC000271252673 373185478 /nfs/dbraw/zinc/18/54/78/373185478.db2.gz ITKJYTFDRWAHDH-CJNGLKHVSA-N 1 0 280.387 2.485 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271422683 373190188 /nfs/dbraw/zinc/19/01/88/373190188.db2.gz MPEUAANETYRBOL-ZDUSSCGKSA-N 1 0 263.337 2.168 20 10 CECDRO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000367833894 373195692 /nfs/dbraw/zinc/19/56/92/373195692.db2.gz SYDDGTHCRJQHQF-CQSZACIVSA-N 1 0 297.420 2.181 20 10 CECDRO CCC1(CO)CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000271776391 373200516 /nfs/dbraw/zinc/20/05/16/373200516.db2.gz HCBCSXXHCHPEQY-UHFFFAOYSA-N 1 0 279.380 2.385 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](CO)CC(C)C)c1 ZINC000273408981 373755837 /nfs/dbraw/zinc/75/58/37/373755837.db2.gz PDDZRWCXZNRKOV-AAEUAGOBSA-N 1 0 295.379 2.236 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c(O)c1C ZINC000273444054 373757344 /nfs/dbraw/zinc/75/73/44/373757344.db2.gz ZJXMTRKCGDBIJT-QWHCGFSZSA-N 1 0 297.420 2.094 20 10 CECDRO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(F)ccc1O ZINC000273478920 373759884 /nfs/dbraw/zinc/75/98/84/373759884.db2.gz LLYQEOFBYVYROF-RDDDGLTNSA-N 1 0 281.249 2.495 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273516865 373762790 /nfs/dbraw/zinc/76/27/90/373762790.db2.gz SSHFQHLKPVQLAD-NWDGAFQWSA-N 1 0 292.379 2.061 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000273554508 373765122 /nfs/dbraw/zinc/76/51/22/373765122.db2.gz GQSONMICQHKBRR-GMXVVIOVSA-N 1 0 293.363 2.254 20 10 CECDRO Cc1cccc(C[NH+]2CCC(C(=O)NC3CC3)CC2)c1O ZINC000371434177 373879666 /nfs/dbraw/zinc/87/96/66/373879666.db2.gz ZZIJIISPWNNUAL-UHFFFAOYSA-N 1 0 288.391 2.191 20 10 CECDRO CC[C@@H](c1ccccc1O)N1CCO[C@H](CC(=O)OC)C1 ZINC000372568311 374158883 /nfs/dbraw/zinc/15/88/83/374158883.db2.gz HLPFVWWIOBYCES-OCCSQVGLSA-N 1 0 293.363 2.107 20 10 CECDRO COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000281726202 375393759 /nfs/dbraw/zinc/39/37/59/375393759.db2.gz UVMRRJBNWIPSIL-QWHCGFSZSA-N 1 0 267.369 2.057 20 10 CECDRO COCC[C@@H](CO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000281719266 375394503 /nfs/dbraw/zinc/39/45/03/375394503.db2.gz UMIBUXRSBGOTPD-DOMZBBRYSA-N 1 0 293.407 2.319 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2([S@](C)=O)CC2)c1 ZINC000282342599 375460688 /nfs/dbraw/zinc/46/06/88/375460688.db2.gz OWMNLPZJLSXVMZ-VOJFVSQTSA-N 1 0 267.394 2.262 20 10 CECDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N(C)C ZINC000282348719 375462586 /nfs/dbraw/zinc/46/25/86/375462586.db2.gz CKEOJFJJSOAJQS-ZDUSSCGKSA-N 1 0 278.396 2.471 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C(=O)NCCF)cc1 ZINC000282639895 375536561 /nfs/dbraw/zinc/53/65/61/375536561.db2.gz KHMFTCNLIDWCIZ-CYBMUJFWSA-N 1 0 295.402 2.097 20 10 CECDRO CCCC[N@H+](CCS(=O)(=O)CC)Cc1ccccc1O ZINC000282486709 375496750 /nfs/dbraw/zinc/49/67/50/375496750.db2.gz PGZDWNSFSYCBKB-UHFFFAOYSA-N 1 0 299.436 2.429 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)c(O)c1C ZINC000282773578 375570531 /nfs/dbraw/zinc/57/05/31/375570531.db2.gz PAUWIEZEIWBBKN-VXGBXAGGSA-N 1 0 282.359 2.134 20 10 CECDRO CC(C)[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000283855498 375771767 /nfs/dbraw/zinc/77/17/67/375771767.db2.gz HRHDFIYDGBFTBM-WBVHZDCISA-N 1 0 293.407 2.390 20 10 CECDRO CC(=O)NCCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284160607 375819653 /nfs/dbraw/zinc/81/96/53/375819653.db2.gz PVIDIRKHYSSQQX-GFCCVEGCSA-N 1 0 264.369 2.186 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1 ZINC000285350030 375838507 /nfs/dbraw/zinc/83/85/07/375838507.db2.gz PMTPTIXQWQQYIT-QGZVFWFLSA-N 1 0 290.407 2.134 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1O ZINC000285655832 375842454 /nfs/dbraw/zinc/84/24/54/375842454.db2.gz YRKHMGYFWPYWDV-RYUDHWBXSA-N 1 0 265.353 2.163 20 10 CECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2=CCCOC2)c1 ZINC000286918822 376101568 /nfs/dbraw/zinc/10/15/68/376101568.db2.gz FMHFHBLEAZZVMT-LLVKDONJSA-N 1 0 291.347 2.176 20 10 CECDRO COc1cccc(C[N@H+](CC2CCC2)[C@@H](C)CO)c1O ZINC000289347220 376393465 /nfs/dbraw/zinc/39/34/65/376393465.db2.gz IPOMDWJPEOVSLL-LBPRGKRZSA-N 1 0 279.380 2.384 20 10 CECDRO Cc1cccc(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000294733259 378016372 /nfs/dbraw/zinc/01/63/72/378016372.db2.gz GLZZBZFWCRWEAK-CQSZACIVSA-N 1 0 292.379 2.363 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H](SC)C2)c1O ZINC000294910367 378027853 /nfs/dbraw/zinc/02/78/53/378027853.db2.gz ACMPLAWSZKSXKG-LLVKDONJSA-N 1 0 253.367 2.338 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(C)(C)CO)c1 ZINC000294936373 378029490 /nfs/dbraw/zinc/02/94/90/378029490.db2.gz ZWBOMEQHKUNYIW-LLVKDONJSA-N 1 0 267.369 2.460 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)cc1C ZINC000295183599 378045864 /nfs/dbraw/zinc/04/58/64/378045864.db2.gz WEZOVKKNGUCWAN-CQSZACIVSA-N 1 0 292.379 2.282 20 10 CECDRO COC1CCN(c2ccc(C[N@H+](C)C[C@H](C)O)cc2)CC1 ZINC000295205875 378050087 /nfs/dbraw/zinc/05/00/87/378050087.db2.gz OGYPYTXBLDCFAS-AWEZNQCLSA-N 1 0 292.423 2.114 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCOC2(C)C)c1O ZINC000294834355 378022661 /nfs/dbraw/zinc/02/26/61/378022661.db2.gz QGBXUTKTSLKUTF-CYBMUJFWSA-N 1 0 265.353 2.448 20 10 CECDRO Cc1cc(C[N@H+](C2CC2)C2COC2)ccc1N(C)C ZINC000295427892 378152555 /nfs/dbraw/zinc/15/25/55/378152555.db2.gz NXNGBNNCBFLOFA-UHFFFAOYSA-N 1 0 260.381 2.424 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](CC)[NH+](C)C ZINC000298569241 378769491 /nfs/dbraw/zinc/76/94/91/378769491.db2.gz KHGCSICNVGPMBS-CQSZACIVSA-N 1 0 278.396 2.471 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@H](C)CO)CC2)cc1 ZINC000305131942 379652870 /nfs/dbraw/zinc/65/28/70/379652870.db2.gz NETHOEQIAHHIMV-KGLIPLIRSA-N 1 0 292.423 2.271 20 10 CECDRO Cc1cc(Br)cc(C[NH2+]CC2COC2)c1O ZINC000529674083 380183456 /nfs/dbraw/zinc/18/34/56/380183456.db2.gz KGIIQUJSJLCWMP-UHFFFAOYSA-N 1 0 286.169 2.199 20 10 CECDRO Oc1cccc(Cl)c1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530179325 380196082 /nfs/dbraw/zinc/19/60/82/380196082.db2.gz SURKQHMVYHOVJO-ZDUSSCGKSA-N 1 0 266.772 2.420 20 10 CECDRO Cc1cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)ccc1N(C)C ZINC000292701421 291898563 /nfs/dbraw/zinc/89/85/63/291898563.db2.gz DHVIRRBEHCXECM-CQSZACIVSA-N 1 0 277.412 2.051 20 10 CECDRO Cc1c(C[NH2+][C@H](C)c2cc(F)ccc2O)cnn1C ZINC000186188482 262312946 /nfs/dbraw/zinc/31/29/46/262312946.db2.gz JMGVXVUDFOICGM-SECBINFHSA-N 1 0 263.316 2.424 20 10 CECDRO CC[C@H](C)N(C)CC[NH2+]Cc1cccc(OC)c1O ZINC000217386583 394454503 /nfs/dbraw/zinc/45/45/03/394454503.db2.gz QDQFNYZMZVYPBM-LBPRGKRZSA-N 1 0 266.385 2.221 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCC(CCC(N)=O)CC2)cc1C ZINC000271190519 394749483 /nfs/dbraw/zinc/74/94/83/394749483.db2.gz LJKHNMRKMGKLGM-UHFFFAOYSA-N 1 0 290.407 2.487 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)CC)c1O ZINC000106448924 394724529 /nfs/dbraw/zinc/72/45/29/394724529.db2.gz ZBXJFVQLVKIRTO-AWEZNQCLSA-N 1 0 253.342 2.042 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cnn(C)c2)c1 ZINC000119723389 394771926 /nfs/dbraw/zinc/77/19/26/394771926.db2.gz BHKYVWHCHHBLDZ-UHFFFAOYSA-N 1 0 275.352 2.156 20 10 CECDRO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(F)ccc1O ZINC000360675828 394805602 /nfs/dbraw/zinc/80/56/02/394805602.db2.gz XZLIZXLUKFBKIS-HONMWMINSA-N 1 0 292.354 2.150 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1O ZINC000121940045 394805916 /nfs/dbraw/zinc/80/59/16/394805916.db2.gz APXWNDPNLGESII-GXSJLCMTSA-N 1 0 263.259 2.356 20 10 CECDRO COc1ccc([C@@H](O)C[NH2+]Cc2ccccc2O)cc1 ZINC000134226145 394956987 /nfs/dbraw/zinc/95/69/87/394956987.db2.gz PXSFACZTKYFICQ-INIZCTEOSA-N 1 0 273.332 2.224 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000373216271 395056666 /nfs/dbraw/zinc/05/66/66/395056666.db2.gz MVALKBTUZHMZEU-AWEZNQCLSA-N 1 0 287.363 2.434 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372493043 395041970 /nfs/dbraw/zinc/04/19/70/395041970.db2.gz UFTSUVWYZNMDJU-PBHICJAKSA-N 1 0 288.391 2.130 20 10 CECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000177220604 395148047 /nfs/dbraw/zinc/14/80/47/395148047.db2.gz LXTIHVUXEWXRKV-INIZCTEOSA-N 1 0 277.364 2.394 20 10 CECDRO CC(C)N1CCC[C@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000177716204 395155441 /nfs/dbraw/zinc/15/54/41/395155441.db2.gz YJAGTQIJVRFMGE-AWEZNQCLSA-N 1 0 276.380 2.223 20 10 CECDRO CC(C)N1CCC[C@@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000177716221 395155491 /nfs/dbraw/zinc/15/54/91/395155491.db2.gz YJAGTQIJVRFMGE-CQSZACIVSA-N 1 0 276.380 2.223 20 10 CECDRO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179561388 395195364 /nfs/dbraw/zinc/19/53/64/395195364.db2.gz HTVFDSJKMPFGEU-HNNXBMFYSA-N 1 0 288.391 2.130 20 10 CECDRO COCCCOCC[N@H+](C)Cc1cc(C)ccc1O ZINC000181523876 395219266 /nfs/dbraw/zinc/21/92/66/395219266.db2.gz DVTAMAUVZFMTSI-UHFFFAOYSA-N 1 0 267.369 2.186 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H](C)N2CCCCC2)c1O ZINC000038028513 174017634 /nfs/dbraw/zinc/01/76/34/174017634.db2.gz NGKBZBRGZRRKPZ-CYBMUJFWSA-N 1 0 278.396 2.365 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)[C@H](CO)SC)cc1C ZINC000219070579 419463502 /nfs/dbraw/zinc/46/35/02/419463502.db2.gz MJDOZKVMJSMPLJ-FZMZJTMJSA-N 1 0 269.410 2.206 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CS(C)(=O)=O)cc1 ZINC000078640517 260168364 /nfs/dbraw/zinc/16/83/64/260168364.db2.gz GTQOWKXHRAFBOO-CYBMUJFWSA-N 1 0 298.452 2.056 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000152426568 261064016 /nfs/dbraw/zinc/06/40/16/261064016.db2.gz BQBZUEFHGFKGEK-GOEBONIOSA-N 1 0 289.423 2.414 20 10 CECDRO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000155199357 261099339 /nfs/dbraw/zinc/09/93/39/261099339.db2.gz RCLPSAHMKKNFRB-UHFFFAOYSA-N 1 0 258.369 2.416 20 10 CECDRO CC(C)[C@@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000164088240 261340329 /nfs/dbraw/zinc/34/03/29/261340329.db2.gz CKDUBXUWSBNVFR-LBPRGKRZSA-N 1 0 288.185 2.261 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccco2)c(O)c1 ZINC000184917276 262033430 /nfs/dbraw/zinc/03/34/30/262033430.db2.gz AISGQJBRFQBZKE-LBPRGKRZSA-N 1 0 288.347 2.374 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCOCC2(C)C)c1 ZINC000185333684 262050834 /nfs/dbraw/zinc/05/08/34/262050834.db2.gz OGMVDMJFXCOGNG-AWEZNQCLSA-N 1 0 292.423 2.462 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185510842 262058083 /nfs/dbraw/zinc/05/80/83/262058083.db2.gz ASDMJINHUITFHY-JTNHKYCSSA-N 1 0 269.410 2.464 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000185788553 262070725 /nfs/dbraw/zinc/07/07/25/262070725.db2.gz UHGFOBPWLBJWAZ-QWHCGFSZSA-N 1 0 276.380 2.362 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c1 ZINC000186089719 262079123 /nfs/dbraw/zinc/07/91/23/262079123.db2.gz REFKCOPUMYSDEY-GFCCVEGCSA-N 1 0 297.420 2.176 20 10 CECDRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1cc(Cl)ccc1O ZINC000186149528 262081827 /nfs/dbraw/zinc/08/18/27/262081827.db2.gz GFRRXTBQPLNNRE-LLVKDONJSA-N 1 0 299.798 2.485 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000186223554 262085309 /nfs/dbraw/zinc/08/53/09/262085309.db2.gz MDHUWNOILBADHX-VIFPVBQESA-N 1 0 284.787 2.468 20 10 CECDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000186443166 262093321 /nfs/dbraw/zinc/09/33/21/262093321.db2.gz IIUHGQFNEBRJST-NEPJUHHUSA-N 1 0 278.352 2.274 20 10 CECDRO COc1ccc(O)c(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000289876197 263112602 /nfs/dbraw/zinc/11/26/02/263112602.db2.gz VXVMYJCLFSCHNP-ZFWWWQNUSA-N 1 0 290.407 2.459 20 10 CECDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296330704 263190135 /nfs/dbraw/zinc/19/01/35/263190135.db2.gz HTPFBNOJBGKKSK-CYBMUJFWSA-N 1 0 287.407 2.044 20 10 CECDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297944512 263212806 /nfs/dbraw/zinc/21/28/06/263212806.db2.gz YIKIVNRQKBWCEV-MRVWCRGKSA-N 1 0 277.364 2.163 20 10 CECDRO CC[C@H](c1ccccc1O)[N@H+](C)[C@H]1CCCCNC1=O ZINC000368021859 267135967 /nfs/dbraw/zinc/13/59/67/267135967.db2.gz MPZOSYBBUWJYFH-KGLIPLIRSA-N 1 0 276.380 2.444 20 10 CECDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000368037159 267139181 /nfs/dbraw/zinc/13/91/81/267139181.db2.gz MEAYQNXHPALZMD-BDJLRTHQSA-N 1 0 277.364 2.309 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(O)c1 ZINC000368331297 267163173 /nfs/dbraw/zinc/16/31/73/267163173.db2.gz JCAVBSZALRJZPK-XPCVCDNBSA-N 1 0 288.391 2.361 20 10 CECDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617706 289557949 /nfs/dbraw/zinc/55/79/49/289557949.db2.gz JWQITPJMKIVZKH-MNOVXSKESA-N 1 0 280.343 2.193 20 10 CECDRO COc1ccc(N2CC[NH+](CCc3cccnc3)CC2)cc1 ZINC000172152467 327762679 /nfs/dbraw/zinc/76/26/79/327762679.db2.gz VKVVOHZXZZAOMC-UHFFFAOYSA-N 1 0 297.402 2.455 20 10 CECDRO CCC[C@@H]([NH3+])C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000236965245 328003858 /nfs/dbraw/zinc/00/38/58/328003858.db2.gz UFXGZQXDVRIAJQ-CQSZACIVSA-N 1 0 295.402 2.416 20 10 CECDRO COC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000280983272 328237669 /nfs/dbraw/zinc/23/76/69/328237669.db2.gz MFIWOEIPVSJMJC-GOEBONIOSA-N 1 0 292.423 2.335 20 10 CECDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000093753986 327199886 /nfs/dbraw/zinc/19/98/86/327199886.db2.gz IVPVSAXHDPLEJV-MRXNPFEDSA-N 1 0 292.423 2.238 20 10 CECDRO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccccc1O ZINC000377409039 329014662 /nfs/dbraw/zinc/01/46/62/329014662.db2.gz HIJMHBPETGSBGM-QWRGUYRKSA-N 1 0 257.337 2.323 20 10 CECDRO COc1ccc(N2CCC([NH2+]C[C@H](O)C3CC3)CC2)cc1 ZINC000377634043 329022274 /nfs/dbraw/zinc/02/22/74/329022274.db2.gz WOKZYOQCVDPFOP-KRWDZBQOSA-N 1 0 290.407 2.025 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(F)ccc1O ZINC000377798500 329030045 /nfs/dbraw/zinc/03/00/45/329030045.db2.gz IZXNWXZAUMYTES-KOLCDFICSA-N 1 0 275.327 2.463 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(F)ccc1O ZINC000377798501 329030169 /nfs/dbraw/zinc/03/01/69/329030169.db2.gz IZXNWXZAUMYTES-MWLCHTKSSA-N 1 0 275.327 2.463 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCOC[C@H]1CC(=O)OC ZINC000377870266 329032411 /nfs/dbraw/zinc/03/24/11/329032411.db2.gz TYZUZSNTAKEOMM-OCCSQVGLSA-N 1 0 293.363 2.107 20 10 CECDRO CCOc1cccc(C[NH2+]CCOC(C)C)c1O ZINC000168954257 329062281 /nfs/dbraw/zinc/06/22/81/329062281.db2.gz USLAMGYSGRLAHR-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO COc1ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc1C ZINC000219442816 329164321 /nfs/dbraw/zinc/16/43/21/329164321.db2.gz DDCBJORMKRPUAK-NSHDSACASA-N 1 0 263.259 2.016 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1O ZINC000180773525 329222951 /nfs/dbraw/zinc/22/29/51/329222951.db2.gz HSRSUXHMHMKIME-CQSZACIVSA-N 1 0 286.379 2.204 20 10 CECDRO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(F)cc1[O-] ZINC000186115050 329338144 /nfs/dbraw/zinc/33/81/44/329338144.db2.gz KHFJJLONKLMDMN-CABZTGNLSA-N 1 0 275.327 2.463 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CC2COC2)c2c1c(F)ccc2O ZINC000528027484 330305166 /nfs/dbraw/zinc/30/51/66/330305166.db2.gz UHEQOVOCMINOIV-KCJUWKMLSA-N 1 0 251.301 2.316 20 10 CECDRO c1cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)cc2c1OCC2 ZINC000230313470 333316427 /nfs/dbraw/zinc/31/64/27/333316427.db2.gz VFKUUJGRPVGDTJ-HOCLYGCPSA-N 1 0 259.349 2.279 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H](C)CCCO)CC2)cc1 ZINC000168271967 534000550 /nfs/dbraw/zinc/00/05/50/534000550.db2.gz YWIDMQKSZCQAMB-AWEZNQCLSA-N 1 0 292.423 2.415 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1O ZINC000279281452 518287924 /nfs/dbraw/zinc/28/79/24/518287924.db2.gz ONLIMJOLNCNUBC-IAQYHMDHSA-N 1 0 295.354 2.375 20 10 CECDRO CC(C)C[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)N(C)C ZINC000042879588 519351837 /nfs/dbraw/zinc/35/18/37/519351837.db2.gz FQGFQURJMMAAGU-CYBMUJFWSA-N 1 0 294.395 2.187 20 10 CECDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037219942 519502011 /nfs/dbraw/zinc/50/20/11/519502011.db2.gz KBQVROUZEYRXHZ-ZDUSSCGKSA-N 1 0 277.412 2.175 20 10 CECDRO CC(C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000070944394 519605395 /nfs/dbraw/zinc/60/53/95/519605395.db2.gz BLVJWMSQBNYGAF-UHFFFAOYSA-N 1 0 277.412 2.051 20 10 CECDRO CC(C)COCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879526 519754133 /nfs/dbraw/zinc/75/41/33/519754133.db2.gz ULQGEDDTKXIYKR-UHFFFAOYSA-N 1 0 281.352 2.273 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)CO)cc1F ZINC000289176401 520892771 /nfs/dbraw/zinc/89/27/71/520892771.db2.gz ABEWAOFJCWLBOV-LBPRGKRZSA-N 1 0 268.376 2.485 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCN(C)CCOC)cc1 ZINC000061376056 520906567 /nfs/dbraw/zinc/90/65/67/520906567.db2.gz YFSNELVKDNDQSD-UHFFFAOYSA-N 1 0 293.455 2.201 20 10 CECDRO CCOc1ccc(N(CC)C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289402692 521028100 /nfs/dbraw/zinc/02/81/00/521028100.db2.gz SUAFLRLJSGTPJY-MRXNPFEDSA-N 1 0 292.423 2.367 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](COC)C2)c1O ZINC000211515762 521346044 /nfs/dbraw/zinc/34/60/44/521346044.db2.gz PMOJKHRWFWKKGD-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO CC[N@@H+](Cc1cccc(OC)c1O)C[C@H](C)OC ZINC000291059200 521353893 /nfs/dbraw/zinc/35/38/93/521353893.db2.gz JRPJIHSHMVZYQQ-NSHDSACASA-N 1 0 253.342 2.258 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H](C)COC)c1O ZINC000045656373 521364685 /nfs/dbraw/zinc/36/46/85/521364685.db2.gz BVOPIQQUBUYVEG-NSHDSACASA-N 1 0 253.342 2.163 20 10 CECDRO CCOc1cccc(C[NH2+]CCc2nccnc2C)c1O ZINC000293043781 521366278 /nfs/dbraw/zinc/36/62/78/521366278.db2.gz QYYFCLCZTPPOKN-UHFFFAOYSA-N 1 0 287.363 2.222 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](CO)CC(C)C)c1O ZINC000040773804 521375508 /nfs/dbraw/zinc/37/55/08/521375508.db2.gz XFXJYDLMDLZJOQ-ZDUSSCGKSA-N 1 0 267.369 2.288 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[NH+](CC)CC ZINC000066096233 521688106 /nfs/dbraw/zinc/68/81/06/521688106.db2.gz UHYXRVGNZPJUCP-UHFFFAOYSA-N 1 0 278.396 2.473 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CCCCCO)cc1F ZINC000279500124 522170716 /nfs/dbraw/zinc/17/07/16/522170716.db2.gz WAESWVLVSXDJQW-UHFFFAOYSA-N 1 0 268.376 2.486 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)OCCCO3)cc1 ZINC000292928498 522175004 /nfs/dbraw/zinc/17/50/04/522175004.db2.gz GTFMIGNSCVIWFS-UHFFFAOYSA-N 1 0 290.407 2.482 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)cc1F ZINC000129463491 522178076 /nfs/dbraw/zinc/17/80/76/522178076.db2.gz UDCKNEMCKPIZEW-OAHLLOKOSA-N 1 0 266.360 2.239 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)cc1 ZINC000258668334 522179810 /nfs/dbraw/zinc/17/98/10/522179810.db2.gz FIYJMESILUFERO-HNNXBMFYSA-N 1 0 262.397 2.345 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2c[nH]c3nccnc23)cc1F ZINC000290898399 522208919 /nfs/dbraw/zinc/20/89/19/522208919.db2.gz NRENFQGWXWBRAO-UHFFFAOYSA-N 1 0 299.353 2.453 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccccc1O ZINC000280782324 522608928 /nfs/dbraw/zinc/60/89/28/522608928.db2.gz GYJRYSCZWOUNOD-IPYPFGDCSA-N 1 0 279.380 2.078 20 10 CECDRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(C)cc1O ZINC000280277971 522639058 /nfs/dbraw/zinc/63/90/58/522639058.db2.gz YGPSQPAXCNQPHK-IVMMDQJWSA-N 1 0 279.380 2.281 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCSC2)cc1OC ZINC000280536166 522782538 /nfs/dbraw/zinc/78/25/38/522782538.db2.gz SGCNSEVAJYGILG-JTQLQIEISA-N 1 0 283.393 2.252 20 10 CECDRO CC[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccccc1O ZINC000278468816 522822147 /nfs/dbraw/zinc/82/21/47/522822147.db2.gz NLYMIOXBFDCYIW-OAHLLOKOSA-N 1 0 290.407 2.298 20 10 CECDRO CC[C@@H]([NH2+]CCc1nc(C)n[nH]1)c1ccc(C)cc1O ZINC000280251942 522845707 /nfs/dbraw/zinc/84/57/07/522845707.db2.gz WSFDTZQFXVAIQU-CYBMUJFWSA-N 1 0 274.368 2.411 20 10 CECDRO COCC1(C[NH2+]Cc2cc(C)ccc2O)CCOCC1 ZINC000291779576 522899790 /nfs/dbraw/zinc/89/97/90/522899790.db2.gz UTKUPQZCVBGYCL-UHFFFAOYSA-N 1 0 279.380 2.233 20 10 CECDRO COCCCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000044655752 523174353 /nfs/dbraw/zinc/17/43/53/523174353.db2.gz XDSYDXFYXZQLNX-NSHDSACASA-N 1 0 253.342 2.478 20 10 CECDRO Cc1cccc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c1O ZINC000278819560 524390023 /nfs/dbraw/zinc/39/00/23/524390023.db2.gz ZGRUFBSOPUOBOH-CQSZACIVSA-N 1 0 297.420 2.100 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000084867034 524425799 /nfs/dbraw/zinc/42/57/99/524425799.db2.gz DGNIQACLFMZUHJ-AWEZNQCLSA-N 1 0 294.370 2.135 20 10 CECDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037782523 524599397 /nfs/dbraw/zinc/59/93/97/524599397.db2.gz ZMYGQYWRJQJOJR-KBPBESRZSA-N 1 0 289.423 2.414 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2nc(C)cs2)c1 ZINC000038090890 524753329 /nfs/dbraw/zinc/75/33/29/524753329.db2.gz HPZCNVQGTKDQRQ-UHFFFAOYSA-N 1 0 264.350 2.456 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)cc1C ZINC000277442684 525318037 /nfs/dbraw/zinc/31/80/37/525318037.db2.gz KEOYKJGADDLXAU-WLRWDXFRSA-N 1 0 281.421 2.209 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)c(O)c1 ZINC000278511781 525722023 /nfs/dbraw/zinc/72/20/23/525722023.db2.gz RMOWYERFHSWBNB-CQSZACIVSA-N 1 0 290.407 2.216 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c(O)c1C ZINC000280879912 525723352 /nfs/dbraw/zinc/72/33/52/525723352.db2.gz DJKWLXFWXYMQQZ-GFCCVEGCSA-N 1 0 297.420 2.237 20 10 CECDRO C[C@@]1(O)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000129512752 525881557 /nfs/dbraw/zinc/88/15/57/525881557.db2.gz DOOKUZHWFPTHHK-CYBMUJFWSA-N 1 0 255.745 2.392 20 10 CECDRO COc1cccc(C[NH2+]Cc2cn(C)nc2C(F)F)c1O ZINC000290993269 526025836 /nfs/dbraw/zinc/02/58/36/526025836.db2.gz AICDIEQQIKGBNZ-UHFFFAOYSA-N 1 0 297.305 2.362 20 10 CECDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000237968948 526278174 /nfs/dbraw/zinc/27/81/74/526278174.db2.gz ANRPYWIHTDKVRW-KRWDZBQOSA-N 1 0 283.371 2.315 20 10 CECDRO Cc1nnc(CC[NH2+]Cc2cc(C)ccc2O)s1 ZINC000289930029 526329589 /nfs/dbraw/zinc/32/95/89/526329589.db2.gz SZGQJFUWMUEBLI-UHFFFAOYSA-N 1 0 263.366 2.193 20 10 CECDRO NC(=O)C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000293207821 526903661 /nfs/dbraw/zinc/90/36/61/526903661.db2.gz YCZZNTRUDBZEIT-MRXNPFEDSA-N 1 0 296.370 2.328 20 10 CECDRO COc1cc(O)c(C[NH2+][C@]2(C)CCO[C@H]2C)cc1OC ZINC000753575207 574511288 /nfs/dbraw/zinc/51/12/88/574511288.db2.gz GRSVXSHKGBNXKK-ZUZCIYMTSA-N 1 0 281.352 2.067 20 10 CECDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C1=CC(=O)CS1 ZINC000732289521 574618333 /nfs/dbraw/zinc/61/83/33/574618333.db2.gz HXPQTVPIMIRIQX-GHMZBOCLSA-N 1 0 282.409 2.446 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@](C)(O)C(C)C)c(O)c1 ZINC000732818107 574632403 /nfs/dbraw/zinc/63/24/03/574632403.db2.gz VIZLGPXYHGENSH-OAHLLOKOSA-N 1 0 267.369 2.288 20 10 CECDRO Cc1cc(NCc2ccc(N(C)C)cc2C)nc(N)[nH+]1 ZINC000734482670 574715272 /nfs/dbraw/zinc/71/52/72/574715272.db2.gz SIFGDWIKKRXBIC-UHFFFAOYSA-N 1 0 271.368 2.354 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000737363869 574830443 /nfs/dbraw/zinc/83/04/43/574830443.db2.gz FRHIAONMDJKPFG-UHFFFAOYSA-N 1 0 295.346 2.171 20 10 CECDRO C[C@@H]1CCN(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000744449688 575121508 /nfs/dbraw/zinc/12/15/08/575121508.db2.gz BQQHCRFBVKCPHA-CYBMUJFWSA-N 1 0 279.403 2.323 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCN2CC[C@H](C)C2)c1 ZINC000744449898 575121598 /nfs/dbraw/zinc/12/15/98/575121598.db2.gz HMQAZUKFIDHXQT-ZDUSSCGKSA-N 1 0 278.396 2.222 20 10 CECDRO Cc1ncc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000746693253 575163000 /nfs/dbraw/zinc/16/30/00/575163000.db2.gz PXTHALZUYDHKGY-UHFFFAOYSA-N 1 0 274.343 2.280 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2CCCN(C)C2)ccc1OC ZINC000747853687 575175872 /nfs/dbraw/zinc/17/58/72/575175872.db2.gz AQEZPNKTVHSBNL-INIZCTEOSA-N 1 0 292.423 2.416 20 10 CECDRO Fc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000747937626 575176894 /nfs/dbraw/zinc/17/68/94/575176894.db2.gz JTYUXACWPDUZIJ-UHFFFAOYSA-N 1 0 258.296 2.445 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC1(CO)CCCCC1 ZINC000751508967 575290769 /nfs/dbraw/zinc/29/07/69/575290769.db2.gz FCHYAYXQCDQFOM-UHFFFAOYSA-N 1 0 279.380 2.433 20 10 CECDRO CCOC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000044689082 623239685 /nfs/dbraw/zinc/23/96/85/623239685.db2.gz NOQXCZSXLZUKSU-GHMZBOCLSA-N 1 0 253.342 2.476 20 10 CECDRO CCC[C@H](O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846142551 623353334 /nfs/dbraw/zinc/35/33/34/623353334.db2.gz ARFPAZMPILBKDD-QWRGUYRKSA-N 1 0 253.342 2.212 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CCC(F)(F)F)OCO2 ZINC000063099751 623468845 /nfs/dbraw/zinc/46/88/45/623468845.db2.gz GTIYUVSEJIQHBF-UHFFFAOYSA-N 1 0 263.215 2.163 20 10 CECDRO CN(C)C(=O)c1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000725843649 625650011 /nfs/dbraw/zinc/65/00/11/625650011.db2.gz BABAQJZXEDFSNB-UHFFFAOYSA-N 1 0 284.359 2.384 20 10 CECDRO CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891464894 623726622 /nfs/dbraw/zinc/72/66/22/623726622.db2.gz LFJJWEKFXNMVAL-OAHLLOKOSA-N 1 0 292.427 2.065 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@H](C)O1 ZINC000891806056 623984216 /nfs/dbraw/zinc/98/42/16/623984216.db2.gz VSTXHFZACINORZ-WCQYABFASA-N 1 0 295.379 2.409 20 10 CECDRO CC[C@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@@H](C)O1 ZINC000891806057 623984553 /nfs/dbraw/zinc/98/45/53/623984553.db2.gz VSTXHFZACINORZ-YPMHNXCESA-N 1 0 295.379 2.409 20 10 CECDRO COc1cccc(C[NH2+]CCOC(C)(C)C)c1O ZINC000308730941 624101891 /nfs/dbraw/zinc/10/18/91/624101891.db2.gz JJJDDRUKUYKCSA-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccccc1O ZINC000892091713 624310791 /nfs/dbraw/zinc/31/07/91/624310791.db2.gz LTOSACNARJMZGM-SMDDNHRTSA-N 1 0 291.395 2.270 20 10 CECDRO C[C@H](NC(=O)NCCC1CC[NH2+]CC1)c1ccccc1O ZINC000892232302 624441006 /nfs/dbraw/zinc/44/10/06/624441006.db2.gz BOSRZGFXQNCDOG-LBPRGKRZSA-N 1 0 291.395 2.142 20 10 CECDRO CCN(CC)C[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000045690681 624502459 /nfs/dbraw/zinc/50/24/59/624502459.db2.gz XPRURWQPPCPXRT-GFCCVEGCSA-N 1 0 266.385 2.221 20 10 CECDRO [NH3+]Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)co1 ZINC000188093843 624964502 /nfs/dbraw/zinc/96/45/02/624964502.db2.gz DFEXEEORSSVUFM-UHFFFAOYSA-N 1 0 299.374 2.269 20 10 CECDRO COc1cccc(O)c1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000725845541 625742761 /nfs/dbraw/zinc/74/27/61/625742761.db2.gz CRPLCPVOTZMWTN-STQMWFEESA-N 1 0 276.380 2.117 20 10 CECDRO CCC(O)(CC)C[NH2+]Cc1c(O)cccc1OC ZINC000725850229 625944654 /nfs/dbraw/zinc/94/46/54/625944654.db2.gz SCBBNIGBPOIZOP-UHFFFAOYSA-N 1 0 253.342 2.042 20 10 CECDRO Cc1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000725852605 625964816 /nfs/dbraw/zinc/96/48/16/625964816.db2.gz GVSDDOSYQHIBGO-UHFFFAOYSA-N 1 0 255.321 2.010 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892563450 627273650 /nfs/dbraw/zinc/27/36/50/627273650.db2.gz WIFZKEXWNKGCHO-XBXGTLAGSA-N 1 0 291.395 2.051 20 10 CECDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185530671 628233229 /nfs/dbraw/zinc/23/32/29/628233229.db2.gz SANWJUCVFRHXRJ-VXGBXAGGSA-N 1 0 269.410 2.465 20 10 CECDRO CN(C)C(=O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000162599183 628370644 /nfs/dbraw/zinc/37/06/44/628370644.db2.gz MATKNJGBIIAEHH-UHFFFAOYSA-N 1 0 296.798 2.346 20 10 CECDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)C[C@H]1O ZINC000840920016 628515666 /nfs/dbraw/zinc/51/56/66/628515666.db2.gz CPMKNXPSNTXMCH-XJKSGUPXSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(C(=O)NC[C@H](C)[NH3+])c(C)n1-c1cccc(C)c1 ZINC000194924921 628519995 /nfs/dbraw/zinc/51/99/95/628519995.db2.gz JIWRGZNIFMBOAH-LBPRGKRZSA-N 1 0 285.391 2.480 20 10 CECDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000312883498 628555895 /nfs/dbraw/zinc/55/58/95/628555895.db2.gz YUCGJFXECJRVAE-UHFFFAOYSA-N 1 0 270.760 2.050 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH+](C)C)[C@@H]2C)c1O ZINC000314399513 628751601 /nfs/dbraw/zinc/75/16/01/628751601.db2.gz XASFWSBKQGRZTI-ZUZCIYMTSA-N 1 0 294.370 2.258 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCN(C)CC2(C)C)c1O ZINC000894030451 629096821 /nfs/dbraw/zinc/09/68/21/629096821.db2.gz HQAKFIXCXPFABY-UHFFFAOYSA-N 1 0 278.396 2.235 20 10 CECDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)COC(C)=O ZINC000894044312 629100758 /nfs/dbraw/zinc/10/07/58/629100758.db2.gz ADVDAYGMNMPIOI-LBPRGKRZSA-N 1 0 264.369 2.313 20 10 CECDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894086803 629113006 /nfs/dbraw/zinc/11/30/06/629113006.db2.gz NEDSZQPFUDINPZ-NSHDSACASA-N 1 0 284.350 2.444 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c1O ZINC000894089335 629119229 /nfs/dbraw/zinc/11/92/29/629119229.db2.gz RRHRAZKVPZNUHY-GXTWGEPZSA-N 1 0 279.380 2.302 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C2([NH3+])CCCC2)cc1 ZINC000178711959 629133766 /nfs/dbraw/zinc/13/37/66/629133766.db2.gz VDBRPHZHSRZYTR-UHFFFAOYSA-N 1 0 289.423 2.421 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237084408 629187440 /nfs/dbraw/zinc/18/74/40/629187440.db2.gz SUYGBSXYFBOJPU-KRWDZBQOSA-N 1 0 289.423 2.067 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC[C@H](C)OC)c1O ZINC000894214955 629231151 /nfs/dbraw/zinc/23/11/51/629231151.db2.gz LXNFVVNQMVENQR-NSHDSACASA-N 1 0 253.342 2.224 20 10 CECDRO CC[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(C)cc1O ZINC000794813266 629329090 /nfs/dbraw/zinc/32/90/90/629329090.db2.gz IEJGZMWQCUNDBO-AWEZNQCLSA-N 1 0 297.420 2.176 20 10 CECDRO CCn1ncnc1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000794842103 629333127 /nfs/dbraw/zinc/33/31/27/629333127.db2.gz PSVVAIPAHLTSTR-NSHDSACASA-N 1 0 260.341 2.163 20 10 CECDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894386651 629419248 /nfs/dbraw/zinc/41/92/48/629419248.db2.gz KPXMEFDLQJBLHA-RYUDHWBXSA-N 1 0 294.395 2.102 20 10 CECDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894386652 629419403 /nfs/dbraw/zinc/41/94/03/629419403.db2.gz KPXMEFDLQJBLHA-VXGBXAGGSA-N 1 0 294.395 2.102 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)c1O ZINC000894487112 629488592 /nfs/dbraw/zinc/48/85/92/629488592.db2.gz GJFZIOOOYHZVDU-OLZOCXBDSA-N 1 0 278.396 2.234 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C(C)(C)O ZINC000894631664 629566816 /nfs/dbraw/zinc/56/68/16/629566816.db2.gz NMFNTIXCTJMRPJ-LBPRGKRZSA-N 1 0 283.368 2.049 20 10 CECDRO COc1cc(C)cc(CN(C)CCC[NH+](C)C)c1O ZINC000894761912 629629966 /nfs/dbraw/zinc/62/99/66/629629966.db2.gz AREQIGJLJYUCIG-UHFFFAOYSA-N 1 0 266.385 2.093 20 10 CECDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(OC)c(OC)c1O ZINC000894763925 629631324 /nfs/dbraw/zinc/63/13/24/629631324.db2.gz QBRRPEAMHSRQFC-LLVKDONJSA-N 1 0 283.368 2.002 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCO[C@H]2CCCCO2)c1O ZINC000894794300 629650230 /nfs/dbraw/zinc/65/02/30/629650230.db2.gz NOYIMYDHEVGJKT-HNNXBMFYSA-N 1 0 295.379 2.342 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCO[C@@H]2CCCCO2)c1O ZINC000894794301 629650449 /nfs/dbraw/zinc/65/04/49/629650449.db2.gz NOYIMYDHEVGJKT-OAHLLOKOSA-N 1 0 295.379 2.342 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c(O)c1OC ZINC000894817471 629655672 /nfs/dbraw/zinc/65/56/72/629655672.db2.gz QUTWODGHTLYCHW-PWSUYJOCSA-N 1 0 281.352 2.067 20 10 CECDRO COc1cc(O)c(C[N@@H+](C)[C@@H]2CC[C@H]2OC)cc1OC ZINC000902639809 634758081 /nfs/dbraw/zinc/75/80/81/634758081.db2.gz XXULVLRRUZQNFQ-DGCLKSJQSA-N 1 0 281.352 2.019 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)C2(OC)CCC2)c(O)c1OC ZINC000894924082 629757445 /nfs/dbraw/zinc/75/74/45/629757445.db2.gz YROALUVFQCJPPL-LLVKDONJSA-N 1 0 295.379 2.457 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](CCCO)C2)c1O ZINC000894956739 629767080 /nfs/dbraw/zinc/76/70/80/629767080.db2.gz LAOZJFPFFQFHMQ-ZDUSSCGKSA-N 1 0 279.380 2.304 20 10 CECDRO COc1cc(C)cc(C[NH2+]C(C)(C)CN(C)C)c1O ZINC000894970294 629773281 /nfs/dbraw/zinc/77/32/81/629773281.db2.gz YATKVKGHGFPKJH-UHFFFAOYSA-N 1 0 266.385 2.139 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000894974250 629776300 /nfs/dbraw/zinc/77/63/00/629776300.db2.gz FTAIQLKREUFSFS-CHWSQXEVSA-N 1 0 295.379 2.457 20 10 CECDRO Cc1nnc([C@@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)[nH]1 ZINC000895012664 629795868 /nfs/dbraw/zinc/79/58/68/629795868.db2.gz TYIUITFQUGJPHO-CYBMUJFWSA-N 1 0 272.352 2.117 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@H]2CC(C)=NO2)ccc1OC ZINC000895309519 630097729 /nfs/dbraw/zinc/09/77/29/630097729.db2.gz BUTHOTJFQJOZLH-OAHLLOKOSA-N 1 0 292.379 2.486 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CC(C)=NO2)c1 ZINC000895311843 630099726 /nfs/dbraw/zinc/09/97/26/630099726.db2.gz SFMRRQOGFHVQSK-CYBMUJFWSA-N 1 0 264.325 2.045 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H]2CC(C)=NO2)c(O)c1 ZINC000895312181 630101630 /nfs/dbraw/zinc/10/16/30/630101630.db2.gz VVHQKSDBMPJRJN-ZDUSSCGKSA-N 1 0 264.325 2.045 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000895407122 630171411 /nfs/dbraw/zinc/17/14/11/630171411.db2.gz ZQVDSWMTEQOIEG-XHDPSFHLSA-N 1 0 283.318 2.265 20 10 CECDRO COc1ccc(C[NH2+][C@H](CO)CCC(C)C)c(O)c1OC ZINC000895584806 630260387 /nfs/dbraw/zinc/26/03/87/630260387.db2.gz MQZBCPCUHDDTML-ZDUSSCGKSA-N 1 0 297.395 2.296 20 10 CECDRO Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccoc2)c(O)c1 ZINC000895583999 630260485 /nfs/dbraw/zinc/26/04/85/630260485.db2.gz AWINNOMVYAAWDU-CQSZACIVSA-N 1 0 275.348 2.234 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1O ZINC000895841630 630365678 /nfs/dbraw/zinc/36/56/78/630365678.db2.gz AIICKGAKEZFQJK-TZMCWYRMSA-N 1 0 277.364 2.402 20 10 CECDRO COC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCCOC1 ZINC000895853828 630378110 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ZINC000801734312 631313547 /nfs/dbraw/zinc/31/35/47/631313547.db2.gz DECJZMBIQISTFM-CQSZACIVSA-N 1 0 293.386 2.039 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000802658651 631441804 /nfs/dbraw/zinc/44/18/04/631441804.db2.gz LHVCMTQYVPWENY-NSHDSACASA-N 1 0 273.279 2.214 20 10 CECDRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(Cl)cc1O ZINC000841744196 631556432 /nfs/dbraw/zinc/55/64/32/631556432.db2.gz MUCVHFIUBMGQPD-VIFPVBQESA-N 1 0 282.771 2.222 20 10 CECDRO C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@H]1C)c1ccccc1O ZINC000897518233 631612020 /nfs/dbraw/zinc/61/20/20/631612020.db2.gz HVINPPGMCYLDJC-CHWSQXEVSA-N 1 0 291.395 2.237 20 10 CECDRO C[C@@H]1C[C@@H](CN(C)c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000841012027 631740828 /nfs/dbraw/zinc/74/08/28/631740828.db2.gz WTDOSXYOOSPKES-NEPJUHHUSA-N 1 0 262.353 2.240 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(Cl)cc1O ZINC000841755105 631776105 /nfs/dbraw/zinc/77/61/05/631776105.db2.gz NLZMGRSKSJWNDZ-JOYOIKCWSA-N 1 0 282.771 2.317 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1O ZINC000897624069 631829969 /nfs/dbraw/zinc/82/99/69/631829969.db2.gz RUIPEHZMKPFOSK-YOEHRIQHSA-N 1 0 288.391 2.042 20 10 CECDRO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCC(=O)NC ZINC000897710035 631882102 /nfs/dbraw/zinc/88/21/02/631882102.db2.gz WCVAZMFLRRKLDL-SREVYHEPSA-N 1 0 289.423 2.224 20 10 CECDRO OCC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000897886069 631961953 /nfs/dbraw/zinc/96/19/53/631961953.db2.gz UQBCGJJBNCTLRS-CYBMUJFWSA-N 1 0 293.363 2.152 20 10 CECDRO COC[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808697836 632002813 /nfs/dbraw/zinc/00/28/13/632002813.db2.gz WTCKVEBFYYLOHK-PWSUYJOCSA-N 1 0 287.787 2.402 20 10 CECDRO CC1(C)CCN(CC[NH2+]Cc2cc(F)ccc2O)C1 ZINC000898034991 632029591 /nfs/dbraw/zinc/02/95/91/632029591.db2.gz FVXCGBWENTUMAW-UHFFFAOYSA-N 1 0 266.360 2.353 20 10 CECDRO COc1cccc(C[NH2+]Cc2ccc(CCO)cc2)c1O ZINC000898172477 632080191 /nfs/dbraw/zinc/08/01/91/632080191.db2.gz KPCGRGNIGCQKTF-UHFFFAOYSA-N 1 0 287.359 2.225 20 10 CECDRO CC(C)OC[C@H](CO)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000809768728 632143812 /nfs/dbraw/zinc/14/38/12/632143812.db2.gz VIZICQVTKKPPPM-LBPRGKRZSA-N 1 0 287.787 2.263 20 10 CECDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000809777493 632144607 /nfs/dbraw/zinc/14/46/07/632144607.db2.gz ALYRCYWIEUQFAP-AWEZNQCLSA-N 1 0 276.380 2.130 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CO)C(C)C)c1O ZINC000810075422 632176230 /nfs/dbraw/zinc/17/62/30/632176230.db2.gz LDDVRRVNRXVCGL-OAHLLOKOSA-N 1 0 283.343 2.231 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)n1cncn1 ZINC000810214773 632196164 /nfs/dbraw/zinc/19/61/64/632196164.db2.gz IQSVHGHIGMJCOE-LBPRGKRZSA-N 1 0 286.379 2.126 20 10 CECDRO C[C@@H]1CC[NH2+]C[C@H]1NC/C=C/c1ccc(N(C)C)cc1 ZINC000841060006 632362274 /nfs/dbraw/zinc/36/22/74/632362274.db2.gz ZWKMTBGBUHCRDR-XUOJHOASSA-N 1 0 273.424 2.353 20 10 CECDRO CCO[C@@H](C[NH2+][C@H](C)c1cc(F)ccc1O)CN(C)C ZINC000926957724 632384484 /nfs/dbraw/zinc/38/44/84/632384484.db2.gz COWMBEAFQBCKRU-YPMHNXCESA-N 1 0 284.375 2.149 20 10 CECDRO CC[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(C)cc1O ZINC000926982791 632404180 /nfs/dbraw/zinc/40/41/80/632404180.db2.gz RQWRKYMGMUNMNF-JSGCOSHPSA-N 1 0 276.380 2.268 20 10 CECDRO CN(C)c1ccc([C@H](CNCc2ccon2)[NH+](C)C)cc1 ZINC000898449571 632498884 /nfs/dbraw/zinc/49/88/84/632498884.db2.gz HSSLZTOLWOLXBJ-INIZCTEOSA-N 1 0 288.395 2.133 20 10 CECDRO CCOc1ccc(C[N@H+](CC)[C@@H]2CCOC2)c(O)c1 ZINC000812780912 632577119 /nfs/dbraw/zinc/57/71/19/632577119.db2.gz WOKKIPJBRAYWFQ-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO CCN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)cc1 ZINC000815102556 632959550 /nfs/dbraw/zinc/95/95/50/632959550.db2.gz PZXBHWNTMFICAQ-JKSUJKDBSA-N 1 0 289.423 2.147 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@@H](O)C2(C)C)ccc1N(C)C ZINC000815119161 632962773 /nfs/dbraw/zinc/96/27/73/632962773.db2.gz QMANREWHQUDESE-OAHLLOKOSA-N 1 0 262.397 2.406 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCCn2ccnn2)c(O)c1 ZINC000815614763 633037765 /nfs/dbraw/zinc/03/77/65/633037765.db2.gz AVGLGCXGGAOKMR-ZDUSSCGKSA-N 1 0 274.368 2.341 20 10 CECDRO C[N@H+](Cc1ccc2c(c1)NC(=O)CO2)Cc1ccccc1O ZINC000816493030 633399999 /nfs/dbraw/zinc/39/99/99/633399999.db2.gz MNBLEXUWFNLJDM-UHFFFAOYSA-N 1 0 298.342 2.355 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@@H](CO)O1 ZINC000816588170 633417642 /nfs/dbraw/zinc/41/76/42/633417642.db2.gz HTUWQVKTPFTUND-DOMZBBRYSA-N 1 0 287.359 2.127 20 10 CECDRO Cc1cccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1O ZINC000816667176 633460732 /nfs/dbraw/zinc/46/07/32/633460732.db2.gz FQOONMXMEVGLQZ-IAGOWNOFSA-N 1 0 291.391 2.110 20 10 CECDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000817280911 633617501 /nfs/dbraw/zinc/61/75/01/633617501.db2.gz FEWJYFDGQFSARK-DZGCQCFKSA-N 1 0 262.397 2.203 20 10 CECDRO CCCN1C[C@@H](C[NH2+]Cc2cccc(C)c2O)CC1=O ZINC000817410887 633650871 /nfs/dbraw/zinc/65/08/71/633650871.db2.gz JJXNWKQJQWQODC-CYBMUJFWSA-N 1 0 276.380 2.049 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c(O)c1 ZINC000817585195 633701507 /nfs/dbraw/zinc/70/15/07/633701507.db2.gz CCEIJCUDHNQXCE-NSHDSACASA-N 1 0 262.353 2.007 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(F)ccc1O ZINC000817585265 633701652 /nfs/dbraw/zinc/70/16/52/633701652.db2.gz DQYJWWZSGHCNMB-SRVKXCTJSA-N 1 0 294.370 2.474 20 10 CECDRO C[C@@H](NCc1ccc2c(c1)CCCN2C)[C@H]1CCC[NH2+]1 ZINC000817900617 633761965 /nfs/dbraw/zinc/76/19/65/633761965.db2.gz OPWNDVQHCHIXFA-CZUORRHYSA-N 1 0 273.424 2.299 20 10 CECDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1c(O)cccc1F ZINC000900670198 633801130 /nfs/dbraw/zinc/80/11/30/633801130.db2.gz WJABXUFMWGKBGJ-LBPRGKRZSA-N 1 0 294.370 2.412 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(N(C)C)cc1 ZINC000817976388 633818329 /nfs/dbraw/zinc/81/83/29/633818329.db2.gz KZMLFDAJMPGDEB-XBFCOCLRSA-N 1 0 265.376 2.103 20 10 CECDRO C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817976663 633819894 /nfs/dbraw/zinc/81/98/94/633819894.db2.gz QOSZZRAIAVOCKI-HZMBPMFUSA-N 1 0 291.351 2.093 20 10 CECDRO C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817977289 633820422 /nfs/dbraw/zinc/82/04/22/633820422.db2.gz GSBQWPLCSUFZEM-ZJUUUORDSA-N 1 0 267.329 2.078 20 10 CECDRO Fc1cc(C[NH2+][C@H]2CC23CC3)ccc1N1CCOCC1 ZINC000818229906 633888911 /nfs/dbraw/zinc/88/89/11/633888911.db2.gz HMSFXKNLQAJYIU-HNNXBMFYSA-N 1 0 276.355 2.304 20 10 CECDRO Nc1ccc(CCNC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000818545131 633942958 /nfs/dbraw/zinc/94/29/58/633942958.db2.gz KIWUTUGGTRYBOQ-INIZCTEOSA-N 1 0 289.423 2.225 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)cc1[O-] ZINC000818615476 633960752 /nfs/dbraw/zinc/96/07/52/633960752.db2.gz PWRYGOVGPNBTNL-OASPWFOLSA-N 1 0 252.333 2.452 20 10 CECDRO C[N@H+](C[C@H](O)CNc1ccccc1OCC1CC1)C1CC1 ZINC000819452412 634184876 /nfs/dbraw/zinc/18/48/76/634184876.db2.gz RKPQCQYTKWDXGS-OAHLLOKOSA-N 1 0 290.407 2.342 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccccc1O ZINC000822812849 635001275 /nfs/dbraw/zinc/00/12/75/635001275.db2.gz OHEPJQQDASXVIW-YPMHNXCESA-N 1 0 276.380 2.442 20 10 CECDRO CC[C@H]([NH2+]CCN1CCCOCC1)c1ccc(C)cc1O ZINC000903226530 635014465 /nfs/dbraw/zinc/01/44/65/635014465.db2.gz GZGBOTCGRCJFLL-INIZCTEOSA-N 1 0 292.423 2.464 20 10 CECDRO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1=O ZINC000903392758 635089376 /nfs/dbraw/zinc/08/93/76/635089376.db2.gz YKVBDQDVMPIHQC-RISCZKNCSA-N 1 0 292.379 2.062 20 10 CECDRO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1cc(F)ccc1O ZINC000903406159 635102242 /nfs/dbraw/zinc/10/22/42/635102242.db2.gz GZZFINDKWOMNGD-ZANVPECISA-N 1 0 253.317 2.343 20 10 CECDRO C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000903964823 635398875 /nfs/dbraw/zinc/39/88/75/635398875.db2.gz RUZKMUMVHHERJE-KOLCDFICSA-N 1 0 299.212 2.100 20 10 CECDRO CC(C)[N@H+](Cc1ccc(N2CCOCC2)cc1)C1COC1 ZINC000824472744 635433785 /nfs/dbraw/zinc/43/37/85/635433785.db2.gz XNZVOMARTDHBFX-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/48/22/22/635482222.db2.gz FNBFCSKWEKKRQW-HOCLYGCPSA-N 1 0 279.380 2.145 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1OC)c1ccccc1O ZINC000824710226 635483358 /nfs/dbraw/zinc/48/33/58/635483358.db2.gz VZSZYXYHEUFOTF-INWMFGNUSA-N 1 0 279.380 2.484 20 10 CECDRO COc1cccc(O)c1C[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000824815067 635502922 /nfs/dbraw/zinc/50/29/22/635502922.db2.gz IBWSUQSSDGKHEI-FZMZJTMJSA-N 1 0 265.353 2.258 20 10 CECDRO CC(C)C[C@H](C[NH3+])NCc1ccc2c(c1)CCCO2 ZINC000904354377 635586675 /nfs/dbraw/zinc/58/66/75/635586675.db2.gz WSAQFOWDHHGATQ-OAHLLOKOSA-N 1 0 262.397 2.475 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC(C)(C)C(C)(C)O ZINC000825201080 635590289 /nfs/dbraw/zinc/59/02/89/635590289.db2.gz IQNXMLVETAOYDC-UHFFFAOYSA-N 1 0 267.369 2.288 20 10 CECDRO Cc1cc(O)c(CN[C@H]2C[NH2+]CC2(C)C)c(Cl)c1 ZINC000904461147 635644144 /nfs/dbraw/zinc/64/41/44/635644144.db2.gz DXHVXJRUPRXMMI-ZDUSSCGKSA-N 1 0 268.788 2.442 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCCON)c(C(F)(F)F)c1 ZINC000904458595 635644762 /nfs/dbraw/zinc/64/47/62/635644762.db2.gz ZQSNFBCLLRLSFL-UHFFFAOYSA-N 1 0 291.317 2.141 20 10 CECDRO CN(CC(C)(C)C[NH+](C)C)C(=O)Nc1ccc(N)cc1 ZINC000904500448 635652090 /nfs/dbraw/zinc/65/20/90/635652090.db2.gz MDVOZAYCUJGDDH-UHFFFAOYSA-N 1 0 278.400 2.320 20 10 CECDRO CN(Cc1ccccc1O)c1nc(N)[nH+]c2c1CCCC2 ZINC000825881486 635726799 /nfs/dbraw/zinc/72/67/99/635726799.db2.gz VCJOEGRQFPPEJT-UHFFFAOYSA-N 1 0 284.363 2.280 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)c1O ZINC000826889207 635872247 /nfs/dbraw/zinc/87/22/47/635872247.db2.gz RTFXOTZRKOAFJS-JQWIXIFHSA-N 1 0 258.325 2.088 20 10 CECDRO COCCC1C[NH+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000826899949 635875363 /nfs/dbraw/zinc/87/53/63/635875363.db2.gz ZVCHGUBUMONHNM-UHFFFAOYSA-N 1 0 266.360 2.360 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c1O ZINC000826902998 635876804 /nfs/dbraw/zinc/87/68/04/635876804.db2.gz NOMYQJOJGPWLJL-OAHLLOKOSA-N 1 0 296.370 2.378 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)CC2(C[NH3+])CC2)cc1 ZINC000827340485 636299176 /nfs/dbraw/zinc/29/91/76/636299176.db2.gz CDJJHBYRCQZHJN-UHFFFAOYSA-N 1 0 289.423 2.278 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1O ZINC000827365028 636305034 /nfs/dbraw/zinc/30/50/34/636305034.db2.gz IZRLVYWALDFTEY-STQMWFEESA-N 1 0 297.782 2.447 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCOC2(C)C)cc1OC ZINC000827704824 636399300 /nfs/dbraw/zinc/39/93/00/636399300.db2.gz DGIARCXOPTVTKB-GFCCVEGCSA-N 1 0 295.379 2.314 20 10 CECDRO COc1cc(C[N@@H+]2CCO[C@H](C)CC2)c(O)cc1C ZINC000905743623 636429738 /nfs/dbraw/zinc/42/97/38/636429738.db2.gz XKWKAMDGAOPANJ-GFCCVEGCSA-N 1 0 265.353 2.320 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000827845613 636442304 /nfs/dbraw/zinc/44/23/04/636442304.db2.gz YCJAKWRXJRAGNS-CVEARBPZSA-N 1 0 290.407 2.492 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)C2(CO)CCC2)cc1F ZINC000827903523 636456001 /nfs/dbraw/zinc/45/60/01/636456001.db2.gz JIKUVJYDPWCPEJ-UHFFFAOYSA-N 1 0 266.360 2.239 20 10 CECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2=CC(=O)CS2)[C@H](C)C1 ZINC000828595064 636637560 /nfs/dbraw/zinc/63/75/60/636637560.db2.gz FRGAFUWCNLUVGI-ZYHUDNBSSA-N 1 0 282.409 2.256 20 10 CECDRO CC[C@H](CO)[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000830352365 637046523 /nfs/dbraw/zinc/04/65/23/637046523.db2.gz LTHPLUDMKMUTRT-CQSZACIVSA-N 1 0 250.386 2.264 20 10 CECDRO [NH3+][C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000830597559 637107831 /nfs/dbraw/zinc/10/78/31/637107831.db2.gz OHBHUHQGVGILTL-HNNXBMFYSA-N 1 0 288.391 2.015 20 10 CECDRO CCN(C)c1ccc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000831728325 637420719 /nfs/dbraw/zinc/42/07/19/637420719.db2.gz FXVLZYZDWWUZCV-DOTOQJQBSA-N 1 0 273.424 2.279 20 10 CECDRO CCC(CC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293365 637535939 /nfs/dbraw/zinc/53/59/39/637535939.db2.gz VNNIMLBSGYZOOQ-HNNXBMFYSA-N 1 0 277.412 2.305 20 10 CECDRO Cc1ccc(CN2CC[NH+](CC3CC3)CC2)c(O)c1 ZINC000876610786 650358402 /nfs/dbraw/zinc/35/84/02/650358402.db2.gz IUYUABJEBWHNCI-UHFFFAOYSA-N 1 0 260.381 2.228 20 10 CECDRO CO[C@@H](C[N@H+](C)Cc1ccccc1O)C1CCOCC1 ZINC000876616556 650360819 /nfs/dbraw/zinc/36/08/19/650360819.db2.gz ZKDOOOYCINLPET-INIZCTEOSA-N 1 0 279.380 2.266 20 10 CECDRO O=C1CCCCN1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834571987 637873795 /nfs/dbraw/zinc/87/37/95/637873795.db2.gz ZMWSKAGORDCIKU-AWEZNQCLSA-N 1 0 288.391 2.372 20 10 CECDRO O=C(C[NH2+][C@@H]1CCc2cccc(O)c21)NC1CCCC1 ZINC000834645716 637902414 /nfs/dbraw/zinc/90/24/14/637902414.db2.gz JVWRQRBISBENIE-CYBMUJFWSA-N 1 0 274.364 2.028 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCO[C@@]3(CCOC3)C1)CC2 ZINC000834697451 637922442 /nfs/dbraw/zinc/92/24/42/637922442.db2.gz LHVOACUKANUMHX-VBQJREDUSA-N 1 0 289.375 2.307 20 10 CECDRO CCN1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1=O ZINC000834889847 637979092 /nfs/dbraw/zinc/97/90/92/637979092.db2.gz KJARNAGQNIVOOI-ONGXEEELSA-N 1 0 282.771 2.317 20 10 CECDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccccc1O ZINC000834895404 637980415 /nfs/dbraw/zinc/98/04/15/637980415.db2.gz BHQKRNMIWFEYIT-RYUDHWBXSA-N 1 0 259.353 2.408 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000834906290 637983500 /nfs/dbraw/zinc/98/35/00/637983500.db2.gz CYJHRXIDHROQQF-ATZCPNFKSA-N 1 0 282.771 2.350 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)c2c1c(F)ccc2O ZINC000834905882 637983821 /nfs/dbraw/zinc/98/38/21/637983821.db2.gz AFRZADDUQWHXMS-KLBPJQLPSA-N 1 0 292.354 2.323 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C(=O)NC ZINC000834915763 637987100 /nfs/dbraw/zinc/98/71/00/637987100.db2.gz ZUUGIRIFOHQVRM-LDYMZIIASA-N 1 0 270.760 2.221 20 10 CECDRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCCCSc1nccs1 ZINC000876662987 650385592 /nfs/dbraw/zinc/38/55/92/650385592.db2.gz UWHCLHZHNFYFBH-ZJUUUORDSA-N 1 0 299.465 2.115 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH+]2CCC(CO)CC2)cc1 ZINC000835025965 638029270 /nfs/dbraw/zinc/02/92/70/638029270.db2.gz PDIYWIFOQSVPRJ-ONEGZZNKSA-N 1 0 274.408 2.470 20 10 CECDRO CC[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@H]1O ZINC000835028886 638030166 /nfs/dbraw/zinc/03/01/66/638030166.db2.gz LVFMGBOFNJFZTM-BZOVTKSESA-N 1 0 274.408 2.469 20 10 CECDRO CCC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC(=O)NC ZINC000835027302 638031354 /nfs/dbraw/zinc/03/13/54/638031354.db2.gz KUBGPBLNAHSTIR-VOTSOKGWSA-N 1 0 289.423 2.224 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039107 638033868 /nfs/dbraw/zinc/03/38/68/638033868.db2.gz AZVUGMZLHUHZSA-PXONKACGSA-N 1 0 294.464 2.468 20 10 CECDRO CSC[C@H](CCO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041474 638034806 /nfs/dbraw/zinc/03/48/06/638034806.db2.gz XNGJSLYRBBLMKQ-XVWMLYKFSA-N 1 0 294.464 2.469 20 10 CECDRO Cc1n[nH]c(CC[NH2+]C/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835045372 638036475 /nfs/dbraw/zinc/03/64/75/638036475.db2.gz VJNOKANRMHDXGB-SNAWJCMRSA-N 1 0 285.395 2.025 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835053155 638040933 /nfs/dbraw/zinc/04/09/33/638040933.db2.gz BHSRIRQORCYBMT-SDKBWNRFSA-N 1 0 290.407 2.159 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@H]2CC[C@@H](C)O2)cc1OC ZINC000835086757 638057109 /nfs/dbraw/zinc/05/71/09/638057109.db2.gz JGRBVBMHUACGNX-ZYHUDNBSSA-N 1 0 281.352 2.067 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c(O)c1 ZINC000876715734 650408685 /nfs/dbraw/zinc/40/86/85/650408685.db2.gz RWLPAWGKNHJNDL-OAHLLOKOSA-N 1 0 288.391 2.287 20 10 CECDRO CC(C)CC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000876873238 650467168 /nfs/dbraw/zinc/46/71/68/650467168.db2.gz ZKLYLDWEJOCPPB-MRXNPFEDSA-N 1 0 291.439 2.475 20 10 CECDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)c1 ZINC000913000311 639169987 /nfs/dbraw/zinc/16/99/87/639169987.db2.gz GRWVWDQOGMDXGN-GJZGRUSLSA-N 1 0 288.391 2.334 20 10 CECDRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000876905543 650480557 /nfs/dbraw/zinc/48/05/57/650480557.db2.gz IODFHPFGNXFZBF-DZGCQCFKSA-N 1 0 289.423 2.290 20 10 CECDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(C)c(C)cc2O)C1 ZINC000165139460 639416936 /nfs/dbraw/zinc/41/69/36/639416936.db2.gz OYYHCTSMUAYHKX-OAHLLOKOSA-N 1 0 290.407 2.309 20 10 CECDRO Cc1cccc(C[NH2+]CC(=O)NCc2ccccc2)c1O ZINC000158124838 639571475 /nfs/dbraw/zinc/57/14/75/639571475.db2.gz IZMQPXMHOVZOBV-UHFFFAOYSA-N 1 0 284.359 2.107 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2cnccn2)c(Cl)c1 ZINC000840908514 639580906 /nfs/dbraw/zinc/58/09/06/639580906.db2.gz SBSJTWILYWLYGM-UHFFFAOYSA-N 1 0 277.755 2.476 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840911211 639582074 /nfs/dbraw/zinc/58/20/74/639582074.db2.gz XKGUEAABVKONJG-JTQLQIEISA-N 1 0 283.755 2.349 20 10 CECDRO CNC(=O)CCC[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840918345 639585658 /nfs/dbraw/zinc/58/56/58/639585658.db2.gz ZZFYRRKVRXDOLE-UHFFFAOYSA-N 1 0 284.787 2.312 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](OCCO)C2)c(Cl)c1 ZINC000840918030 639586211 /nfs/dbraw/zinc/58/62/11/639586211.db2.gz ONKDJABAFBHFTP-GFCCVEGCSA-N 1 0 299.798 2.327 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@]1(C)CO ZINC000840938488 639592460 /nfs/dbraw/zinc/59/24/60/639592460.db2.gz GTMHDWXQRFVRPP-INIZCTEOSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC1(O)CCC1 ZINC000840942918 639595156 /nfs/dbraw/zinc/59/51/56/639595156.db2.gz AIXIAKORSDATBX-UHFFFAOYSA-N 1 0 262.397 2.456 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1=CCOCC1 ZINC000840950173 639598221 /nfs/dbraw/zinc/59/82/21/639598221.db2.gz FQEBXJAKFIYRBO-UHFFFAOYSA-N 1 0 260.381 2.497 20 10 CECDRO Cn1ncc2c1CCC[N@H+](Cc1ccccc1O)C2 ZINC000840954015 639599174 /nfs/dbraw/zinc/59/91/74/639599174.db2.gz BKUISIFBIMRVIK-UHFFFAOYSA-N 1 0 257.337 2.074 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1O ZINC000840963884 639602586 /nfs/dbraw/zinc/60/25/86/639602586.db2.gz RIQQJUNWWFLXEN-FZMZJTMJSA-N 1 0 299.798 2.231 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](O)C(C)C ZINC000840967401 639603778 /nfs/dbraw/zinc/60/37/78/639603778.db2.gz MNXRKSHVFJWBCE-LRDDRELGSA-N 1 0 297.395 2.295 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H](C)C2(OC)CCC2)cc1OC ZINC000840969487 639604489 /nfs/dbraw/zinc/60/44/89/639604489.db2.gz FSYASEKYJJPKMI-NSHDSACASA-N 1 0 295.379 2.457 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c(O)c1 ZINC000840977053 639607191 /nfs/dbraw/zinc/60/71/91/639607191.db2.gz FQYHPWGZOQPXSW-TZMCWYRMSA-N 1 0 279.380 2.432 20 10 CECDRO CCCC[C@H](CN)[NH2+]Cc1cccc(OC)c1O ZINC000841028329 639621125 /nfs/dbraw/zinc/62/11/25/639621125.db2.gz BEKBTBWBRYTSBB-GFCCVEGCSA-N 1 0 252.358 2.008 20 10 CECDRO CCCC[C@H](C[NH3+])NCc1ccc(N2CCOCC2)cc1 ZINC000841029009 639621610 /nfs/dbraw/zinc/62/16/10/639621610.db2.gz LEITZRIPJBSUHV-MRXNPFEDSA-N 1 0 291.439 2.130 20 10 CECDRO CC(C)[C@H]([NH3+])CNC/C=C/c1ccc(N(C)C)cc1 ZINC000841031469 639623481 /nfs/dbraw/zinc/62/34/81/639623481.db2.gz SIGFLESETLRCBR-SQRWCISFSA-N 1 0 261.413 2.339 20 10 CECDRO CN(C)c1ccc(/C=C/CNC[C@@H]2CCC[NH2+]2)cc1 ZINC000841034534 639626631 /nfs/dbraw/zinc/62/66/31/639626631.db2.gz DYUAUNZHBQVWDV-UJAVWCLSSA-N 1 0 259.397 2.107 20 10 CECDRO C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841064881 639640694 /nfs/dbraw/zinc/64/06/94/639640694.db2.gz VMOPNNGJTDHWOV-UFBFGSQYSA-N 1 0 272.751 2.272 20 10 CECDRO Cc1cc(O)c(CN[C@@H](CC[NH3+])C(F)F)cc1C ZINC000841073695 639644512 /nfs/dbraw/zinc/64/45/12/639644512.db2.gz KCBRNCFENFYESC-NSHDSACASA-N 1 0 258.312 2.081 20 10 CECDRO CCN(CC)c1ccc(CNC[C@H]2C[NH2+]CCCO2)cc1 ZINC000841085598 639650356 /nfs/dbraw/zinc/65/03/56/639650356.db2.gz IEJHEUVOUPQPHV-QGZVFWFLSA-N 1 0 291.439 2.001 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC2)c1O ZINC000228671160 639651415 /nfs/dbraw/zinc/65/14/15/639651415.db2.gz YMQJTOCHLFPKII-SECBINFHSA-N 1 0 271.744 2.180 20 10 CECDRO CCOc1cccc(CN[C@H](CC[NH3+])C(F)(F)F)c1O ZINC000841089853 639653003 /nfs/dbraw/zinc/65/30/03/639653003.db2.gz AYSLQXMBXYJHJB-LLVKDONJSA-N 1 0 292.301 2.160 20 10 CECDRO CCOc1ccc(O)c(CN[C@H]2CCCC[NH2+]C2)c1 ZINC000841091365 639654446 /nfs/dbraw/zinc/65/44/46/639654446.db2.gz WINOGCOVOREEQW-ZDUSSCGKSA-N 1 0 264.369 2.023 20 10 CECDRO [O-]c1c(Br)cccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000841091826 639654791 /nfs/dbraw/zinc/65/47/91/639654791.db2.gz HEPKZIVPXBHJIB-UHFFFAOYSA-N 1 0 299.212 2.386 20 10 CECDRO O[C@@H]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000230666711 639777324 /nfs/dbraw/zinc/77/73/24/639777324.db2.gz AEVQLIIHGPPYIQ-SWLSCSKDSA-N 1 0 261.365 2.262 20 10 CECDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)OC ZINC000230672247 639778260 /nfs/dbraw/zinc/77/82/60/639778260.db2.gz WHVWBJBMGHMEKN-RYUDHWBXSA-N 1 0 253.342 2.013 20 10 CECDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)OC ZINC000230672245 639778670 /nfs/dbraw/zinc/77/86/70/639778670.db2.gz WHVWBJBMGHMEKN-NWDGAFQWSA-N 1 0 253.342 2.013 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841762704 639859762 /nfs/dbraw/zinc/85/97/62/639859762.db2.gz JSMFFSQWGMNZGK-TVQRCGJNSA-N 1 0 273.760 2.094 20 10 CECDRO CC[NH2+]CCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841881913 639897526 /nfs/dbraw/zinc/89/75/26/639897526.db2.gz DSPDISUSURKMHW-ZDUSSCGKSA-N 1 0 292.427 2.112 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000877044976 650545135 /nfs/dbraw/zinc/54/51/35/650545135.db2.gz MXTJDRUKESKTIK-ZIAGYGMSSA-N 1 0 290.407 2.437 20 10 CECDRO C[N@@H+](Cc1cc2c(cc1O)CCC2)C[C@@H]1CCCO1 ZINC000151732424 640073094 /nfs/dbraw/zinc/07/30/94/640073094.db2.gz BWNWTUIXJMBMHS-HNNXBMFYSA-N 1 0 261.365 2.492 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCc3n[nH]cc3C2)c(O)c1 ZINC000877053649 650550848 /nfs/dbraw/zinc/55/08/48/650550848.db2.gz UZQBAOROVOELID-ZDUSSCGKSA-N 1 0 257.337 2.071 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H]3CO[C@H](C)C3)CC2)cc1 ZINC000842673334 640145550 /nfs/dbraw/zinc/14/55/50/640145550.db2.gz JNMBPRCQGADIHB-UKRRQHHQSA-N 1 0 290.407 2.431 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1C ZINC000842720787 640158391 /nfs/dbraw/zinc/15/83/91/640158391.db2.gz LZOICJDTNYNCIQ-AWEZNQCLSA-N 1 0 290.407 2.498 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1C ZINC000842758219 640171897 /nfs/dbraw/zinc/17/18/97/640171897.db2.gz HBHKCLVBZPVFRX-KRWDZBQOSA-N 1 0 293.407 2.276 20 10 CECDRO CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1=O ZINC000842882259 640211489 /nfs/dbraw/zinc/21/14/89/640211489.db2.gz PPJFXOYLJKDBQV-CHWSQXEVSA-N 1 0 288.391 2.369 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH2+]C)C2)cc1 ZINC000843045769 640251183 /nfs/dbraw/zinc/25/11/83/640251183.db2.gz VXMRHBAAIFZRIS-OAHLLOKOSA-N 1 0 261.413 2.327 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CCC[C@H]([NH3+])C2)cc1 ZINC000843047283 640252093 /nfs/dbraw/zinc/25/20/93/640252093.db2.gz JSCFZEKBMMTJKJ-QTLSWZBMSA-N 1 0 259.397 2.189 20 10 CECDRO C[C@H]1C[NH2+]CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000843048016 640252432 /nfs/dbraw/zinc/25/24/32/640252432.db2.gz JDANHQBPPYGLPL-HNNXBMFYSA-N 1 0 273.424 2.471 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000843048999 640253382 /nfs/dbraw/zinc/25/33/82/640253382.db2.gz CTZRWDODUUJBFC-KBPBESRZSA-N 1 0 261.413 2.243 20 10 CECDRO [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3[O-])C[C@H]21 ZINC000843059284 640261785 /nfs/dbraw/zinc/26/17/85/640261785.db2.gz JBZZVXGKYFFZAD-ZKYQVNSYSA-N 1 0 264.344 2.091 20 10 CECDRO [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843112330 640285068 /nfs/dbraw/zinc/28/50/68/640285068.db2.gz HJIFGNDESSSBKE-LLVKDONJSA-N 1 0 252.333 2.092 20 10 CECDRO C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000843129059 640295587 /nfs/dbraw/zinc/29/55/87/640295587.db2.gz LYMHNQONIDBXFC-YUMQZZPRSA-N 1 0 260.740 2.400 20 10 CECDRO CS[C@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877112903 650579232 /nfs/dbraw/zinc/57/92/32/650579232.db2.gz UWRRPPNONUFQNO-CYBMUJFWSA-N 1 0 294.464 2.489 20 10 CECDRO Cn1nc(C2CC2)nc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350771 640399295 /nfs/dbraw/zinc/39/92/95/640399295.db2.gz UWUXUQPFRJBLEC-UHFFFAOYSA-N 1 0 297.406 2.104 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)[NH3+] ZINC000843486125 640441315 /nfs/dbraw/zinc/44/13/15/640441315.db2.gz QGCSJTFDUGDBOL-ZDUSSCGKSA-N 1 0 277.412 2.227 20 10 CECDRO Cc1ccc(C[NH2+]CCOc2ncccc2F)c(O)c1 ZINC000877116954 650580309 /nfs/dbraw/zinc/58/03/09/650580309.db2.gz CFHGWEZCIMMLHZ-UHFFFAOYSA-N 1 0 276.311 2.403 20 10 CECDRO CS[C@@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844163326 640621335 /nfs/dbraw/zinc/62/13/35/640621335.db2.gz YZIXQPUVHOVVDC-FZMZJTMJSA-N 1 0 295.452 2.010 20 10 CECDRO CN1CCCc2cc(CNC(=O)CCC(C)(C)[NH3+])ccc21 ZINC000844177204 640624719 /nfs/dbraw/zinc/62/47/19/640624719.db2.gz BIMBMOXNSUXNRI-UHFFFAOYSA-N 1 0 289.423 2.203 20 10 CECDRO Cc1ccc(C[NH2+][C@H](C)C(=O)NCc2ccco2)c(O)c1 ZINC000877150437 650596881 /nfs/dbraw/zinc/59/68/81/650596881.db2.gz SFSMEZPYRFGFJT-GFCCVEGCSA-N 1 0 288.347 2.088 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCCO2)cc1 ZINC000844400064 640708661 /nfs/dbraw/zinc/70/86/61/640708661.db2.gz UTVJMZGRUCWFGW-INIZCTEOSA-N 1 0 278.396 2.242 20 10 CECDRO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c(O)cc1C ZINC000844758234 640828517 /nfs/dbraw/zinc/82/85/17/640828517.db2.gz SXRKVHZPQYSMAF-PHIMTYICSA-N 1 0 269.291 2.406 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(CC3(F)F)C1)OCO2 ZINC000844760291 640829853 /nfs/dbraw/zinc/82/98/53/640829853.db2.gz PIGMYICLAWXGBT-CYBMUJFWSA-N 1 0 283.274 2.352 20 10 CECDRO CCCC[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000917394226 640880509 /nfs/dbraw/zinc/88/05/09/640880509.db2.gz AMGYBXDCQWGNHN-OAHLLOKOSA-N 1 0 289.423 2.278 20 10 CECDRO CCN(CC)C(=O)CN(C)Cc1cc(Cl)ccc1O ZINC000155115496 641087855 /nfs/dbraw/zinc/08/78/55/641087855.db2.gz SCGDQVUSTARDBD-UHFFFAOYSA-N 1 0 284.787 2.346 20 10 CECDRO CC[C@@H]([NH2+]CCCn1ccnn1)c1ccccc1O ZINC000126409591 650632867 /nfs/dbraw/zinc/63/28/67/650632867.db2.gz MRLPHJNXOPVJDI-CYBMUJFWSA-N 1 0 260.341 2.115 20 10 CECDRO COCCN1CC[N@H+](Cc2cc(C)ccc2O)C(C)(C)C1 ZINC000846102276 641181236 /nfs/dbraw/zinc/18/12/36/641181236.db2.gz KVPGJEUAJYXXBS-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO COc1cccc(O)c1CN(C)CC[NH+]1CCCCC1 ZINC000846114079 641188142 /nfs/dbraw/zinc/18/81/42/641188142.db2.gz GMWWRKMLNATSLF-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846142687 641198836 /nfs/dbraw/zinc/19/88/36/641198836.db2.gz GKWNAMWIRJJTKL-NWDGAFQWSA-N 1 0 294.395 2.356 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)c1O ZINC000846142278 641198938 /nfs/dbraw/zinc/19/89/38/641198938.db2.gz ZUFFCEQQIGNDMV-FZMZJTMJSA-N 1 0 278.396 2.392 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(C)(C)O)c1O ZINC000846162547 641208166 /nfs/dbraw/zinc/20/81/66/641208166.db2.gz LEGOGUHCNGITIN-NXEZZACHSA-N 1 0 253.342 2.211 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCc2nccnc2C)c1O ZINC000846168616 641210670 /nfs/dbraw/zinc/21/06/70/641210670.db2.gz BKYXQKUKLUVHKX-NSHDSACASA-N 1 0 287.363 2.393 20 10 CECDRO C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc2ccccc2c1O ZINC000846189393 641218255 /nfs/dbraw/zinc/21/82/55/641218255.db2.gz KVKKEINFQAJLKI-RTXFEEFZSA-N 1 0 284.359 2.460 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1O ZINC000846195039 641219037 /nfs/dbraw/zinc/21/90/37/641219037.db2.gz WVKJTSCSYNDFCO-ATZCPNFKSA-N 1 0 282.771 2.269 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CC[C@]2(O)CCOC2)cc1 ZINC000846194630 641219341 /nfs/dbraw/zinc/21/93/41/641219341.db2.gz OOFIZUDBQCJIFT-YOEHRIQHSA-N 1 0 292.423 2.335 20 10 CECDRO Cc1cc(C[NH3+])oc1C(=O)N[C@H](C)c1ccccc1O ZINC000877255274 650643446 /nfs/dbraw/zinc/64/34/46/650643446.db2.gz BOERMMBOINGMQN-SNVBAGLBSA-N 1 0 274.320 2.243 20 10 CECDRO CC[N@H+](CC(=O)NCc1cc(Cl)ccc1O)C1CC1 ZINC000846475783 641312292 /nfs/dbraw/zinc/31/22/92/641312292.db2.gz JFOGRMZJRUUFEG-UHFFFAOYSA-N 1 0 282.771 2.146 20 10 CECDRO NC(=O)CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180010944 641400099 /nfs/dbraw/zinc/40/00/99/641400099.db2.gz AYYUBZXEAVSHNO-LLVKDONJSA-N 1 0 280.343 2.009 20 10 CECDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccc(C)c2O)C1 ZINC000180783942 641486009 /nfs/dbraw/zinc/48/60/09/641486009.db2.gz NMFYZLLIONZPPV-CQSZACIVSA-N 1 0 276.380 2.001 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)COC)cc1 ZINC000069912567 641614269 /nfs/dbraw/zinc/61/42/69/641614269.db2.gz MWUJQCPNYVSFPF-MRXNPFEDSA-N 1 0 280.412 2.020 20 10 CECDRO C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@@H](C)[NH2+]1 ZINC000070075304 641628360 /nfs/dbraw/zinc/62/83/60/641628360.db2.gz LTGGPBGPUYDDLZ-NXEZZACHSA-N 1 0 254.761 2.228 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COCC(C)C)c1 ZINC000182316514 641645195 /nfs/dbraw/zinc/64/51/95/641645195.db2.gz JPOQTBSSIIEDJQ-QWHCGFSZSA-N 1 0 297.395 2.085 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H](C)[NH3+] ZINC000070316561 641653957 /nfs/dbraw/zinc/65/39/57/641653957.db2.gz ATADREDBFGYEBE-ZDUSSCGKSA-N 1 0 277.412 2.229 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000847500487 641677223 /nfs/dbraw/zinc/67/72/23/641677223.db2.gz LBFHHWHZPCXWTH-CYBMUJFWSA-N 1 0 289.423 2.019 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2c(C)cccc2O)CC1 ZINC000877402082 650707697 /nfs/dbraw/zinc/70/76/97/650707697.db2.gz XDVRDCYOTPTYHS-UHFFFAOYSA-N 1 0 263.337 2.134 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)c(O)c1 ZINC000186048491 642059843 /nfs/dbraw/zinc/05/98/43/642059843.db2.gz OURVUZKTSGGDDQ-GXTWGEPZSA-N 1 0 276.380 2.361 20 10 CECDRO CN(C)c1ccc(/C=C\CN[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000848714914 642109621 /nfs/dbraw/zinc/10/96/21/642109621.db2.gz XAYJIXRCAKZDIA-DHCBQETCSA-N 1 0 287.329 2.245 20 10 CECDRO CCn1cc(CN(C)Cc2c(O)cccc2OC)cn1 ZINC000769428972 642133998 /nfs/dbraw/zinc/13/39/98/642133998.db2.gz XTKBKCVUYKXWJI-UHFFFAOYSA-N 1 0 275.352 2.249 20 10 CECDRO CCc1cccc(C[NH+]2CCC(C(=O)OC)CC2)c1O ZINC000848876047 642164430 /nfs/dbraw/zinc/16/44/30/642164430.db2.gz GUWQAFHIWJSJOK-UHFFFAOYSA-N 1 0 277.364 2.340 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@@H](CNC(C)=O)C2)c1O ZINC000848877864 642166013 /nfs/dbraw/zinc/16/60/13/642166013.db2.gz VDPZANRSLGPHPN-AWEZNQCLSA-N 1 0 290.407 2.303 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1O ZINC000848881211 642168154 /nfs/dbraw/zinc/16/81/54/642168154.db2.gz LZQLKBTWZJPJGU-BXUZGUMPSA-N 1 0 276.380 2.040 20 10 CECDRO CCc1cccc(C[NH+]2CCC(CNC(C)=O)CC2)c1O ZINC000848882806 642169013 /nfs/dbraw/zinc/16/90/13/642169013.db2.gz BRQKOPYIFGWGBN-UHFFFAOYSA-N 1 0 290.407 2.303 20 10 CECDRO C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc(F)cc(F)c1[O-] ZINC000817965156 642185948 /nfs/dbraw/zinc/18/59/48/642185948.db2.gz QLZKQRRZWKKWBL-MRVPVSSYSA-N 1 0 256.296 2.202 20 10 CECDRO c1cnn(CCC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921519374 642188889 /nfs/dbraw/zinc/18/88/89/642188889.db2.gz GJKJJLSHTAPCHE-UHFFFAOYSA-N 1 0 271.364 2.388 20 10 CECDRO CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000848919268 642192042 /nfs/dbraw/zinc/19/20/42/642192042.db2.gz VAHVEBGFRSBACJ-HNNXBMFYSA-N 1 0 288.391 2.129 20 10 CECDRO CCOc1cccc(C[N@H+](C[C@@H](C)O)C2CC2)c1O ZINC000848928395 642199398 /nfs/dbraw/zinc/19/93/98/642199398.db2.gz CBOGEVZDIDYERI-LLVKDONJSA-N 1 0 265.353 2.136 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@]2(C)CCCOC2)c1 ZINC000771893906 642248714 /nfs/dbraw/zinc/24/87/14/642248714.db2.gz SFPZHKXUVATZMF-HNNXBMFYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cnccn3)C2)cc1 ZINC000849322127 642327777 /nfs/dbraw/zinc/32/77/77/642327777.db2.gz OAVDFYRBYYNSGQ-KBPBESRZSA-N 1 0 298.390 2.415 20 10 CECDRO COCC[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849321574 642327799 /nfs/dbraw/zinc/32/77/99/642327799.db2.gz IBSRQBPZOYQTFW-ZIAGYGMSSA-N 1 0 278.396 2.289 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000877487037 650745753 /nfs/dbraw/zinc/74/57/53/650745753.db2.gz UBSHXDBPRRLSAR-JJRVBVJISA-N 1 0 291.391 2.469 20 10 CECDRO CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998322803 642385295 /nfs/dbraw/zinc/38/52/95/642385295.db2.gz LSUMEYUWUPGIGA-OAHLLOKOSA-N 1 0 290.407 2.494 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000877492242 650748673 /nfs/dbraw/zinc/74/86/73/650748673.db2.gz HSNKSEXXZBNMHX-BBRMVZONSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000877492947 650749754 /nfs/dbraw/zinc/74/97/54/650749754.db2.gz YRDUUSKLNINFOR-QGZVFWFLSA-N 1 0 291.391 2.471 20 10 CECDRO Cc1ccc(C[NH2+][C@@H](c2nncn2C)C(C)C)c(O)c1 ZINC000877513744 650759948 /nfs/dbraw/zinc/75/99/48/650759948.db2.gz BYOYMJYROKTBQR-CQSZACIVSA-N 1 0 274.368 2.316 20 10 CECDRO CC(C)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1=O ZINC000921742151 642569009 /nfs/dbraw/zinc/56/90/09/642569009.db2.gz DARKCWIFNAKIHC-OAHLLOKOSA-N 1 0 288.391 2.111 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3[nH]ncc3C)C2)cc1 ZINC000850345974 642675290 /nfs/dbraw/zinc/67/52/90/642675290.db2.gz AXNSWBPKTWTNGZ-ZDUSSCGKSA-N 1 0 286.379 2.095 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c1 ZINC000850355814 642679852 /nfs/dbraw/zinc/67/98/52/642679852.db2.gz LUWVGKPCTXOIEG-BIENJYKASA-N 1 0 281.421 2.480 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000850356356 642680042 /nfs/dbraw/zinc/68/00/42/642680042.db2.gz OVIJNTMYTSYRMF-FKANQGBASA-N 1 0 297.420 2.180 20 10 CECDRO CO[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000850400983 642701089 /nfs/dbraw/zinc/70/10/89/642701089.db2.gz RNNXWZGODNQCHW-INIZCTEOSA-N 1 0 293.363 2.416 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@]2(C)OC)c1 ZINC000850409663 642703730 /nfs/dbraw/zinc/70/37/30/642703730.db2.gz XKLZMTCURSZNFJ-KGLIPLIRSA-N 1 0 251.326 2.058 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CCCO3)C2)cc1 ZINC000850489438 642730863 /nfs/dbraw/zinc/73/08/63/642730863.db2.gz UPRHFWSOJWXQLY-GRDNDAEWSA-N 1 0 290.407 2.431 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCn4ccnc43)C2)cc1 ZINC000850489368 642730965 /nfs/dbraw/zinc/73/09/65/642730965.db2.gz XJNJWTBJCWMJDS-CZUORRHYSA-N 1 0 298.390 2.205 20 10 CECDRO C[C@H]([NH2+]C/C=C/CO)c1ccc(Br)cc1O ZINC000850507908 642734847 /nfs/dbraw/zinc/73/48/47/642734847.db2.gz IXKQIKFBZNZGSM-HPOULIHZSA-N 1 0 286.169 2.354 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1O ZINC000850513871 642736526 /nfs/dbraw/zinc/73/65/26/642736526.db2.gz HRGLCSOWSNXQGX-MNOVXSKESA-N 1 0 265.353 2.212 20 10 CECDRO Cc1cncc(CC[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000850550694 642750468 /nfs/dbraw/zinc/75/04/68/642750468.db2.gz PJMWLAQFZZYNTL-AWEZNQCLSA-N 1 0 269.348 2.310 20 10 CECDRO CC[C@@H]([NH2+]CCN(C)C(=O)OC)c1ccc(N(C)C)cc1 ZINC000850549380 642750605 /nfs/dbraw/zinc/75/06/05/642750605.db2.gz CHBSZAIXCCLNEU-OAHLLOKOSA-N 1 0 293.411 2.492 20 10 CECDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000850578082 642755706 /nfs/dbraw/zinc/75/57/06/642755706.db2.gz GMBYVQRSUZESHF-LERXQTSPSA-N 1 0 261.365 2.445 20 10 CECDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921951041 642806006 /nfs/dbraw/zinc/80/60/06/642806006.db2.gz HKNAGFIZBNXAQJ-GJZGRUSLSA-N 1 0 288.391 2.016 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1(CO)CC1 ZINC000922245039 642976962 /nfs/dbraw/zinc/97/69/62/642976962.db2.gz IQIYRGNPFOWUAA-GFCCVEGCSA-N 1 0 261.365 2.262 20 10 CECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877591359 650804048 /nfs/dbraw/zinc/80/40/48/650804048.db2.gz CJIGCKXNYWRACU-MRXNPFEDSA-N 1 0 277.364 2.476 20 10 CECDRO COCC(C)(C)N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877597191 650808330 /nfs/dbraw/zinc/80/83/30/650808330.db2.gz CLXPOCMGEUSUME-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO CO[C@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000851720753 643125609 /nfs/dbraw/zinc/12/56/09/643125609.db2.gz RYNNLZFTXZXCGT-DOTOQJQBSA-N 1 0 292.423 2.236 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c(O)c1 ZINC000877623270 650818723 /nfs/dbraw/zinc/81/87/23/650818723.db2.gz KGRCSEQDFIBFDC-ZYHUDNBSSA-N 1 0 258.325 2.088 20 10 CECDRO C[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccccc1O ZINC000851840359 643185507 /nfs/dbraw/zinc/18/55/07/643185507.db2.gz DMVVSDQWSJSNPH-GFCCVEGCSA-N 1 0 257.280 2.248 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H]2CNC(=O)C2)cc1 ZINC000922785682 643264177 /nfs/dbraw/zinc/26/41/77/643264177.db2.gz SAHDVGPSTQWHFY-HNNXBMFYSA-N 1 0 289.423 2.149 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000877652495 650834960 /nfs/dbraw/zinc/83/49/60/650834960.db2.gz INBRISMUZNGBOH-TZMCWYRMSA-N 1 0 276.380 2.238 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000877657036 650837147 /nfs/dbraw/zinc/83/71/47/650837147.db2.gz FUVNZCCTSXUOFJ-LBPRGKRZSA-N 1 0 253.317 2.261 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCO[C@@H]2CCOC2)cc1 ZINC000922941119 643465506 /nfs/dbraw/zinc/46/55/06/643465506.db2.gz HDBVHUIGLOQZPU-QGZVFWFLSA-N 1 0 292.423 2.428 20 10 CECDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000877673310 650844911 /nfs/dbraw/zinc/84/49/11/650844911.db2.gz DGKVXBJIXKSXJZ-INIZCTEOSA-N 1 0 290.407 2.500 20 10 CECDRO O=C(C=C1CC[NH2+]CC1)N1CCCc2ccccc21 ZINC000852801390 643557271 /nfs/dbraw/zinc/55/72/71/643557271.db2.gz ZAKFDMBQMXCZJB-UHFFFAOYSA-N 1 0 256.349 2.276 20 10 CECDRO O=C1CC[N@H+](Cc2cc(F)ccc2O)CCCCCCN1 ZINC000877685924 650851348 /nfs/dbraw/zinc/85/13/48/650851348.db2.gz 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/nfs/dbraw/zinc/95/49/87/643954987.db2.gz YCKIKCUVCAFVPY-UHFFFAOYSA-N 1 0 297.402 2.385 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1F ZINC000877744695 650890614 /nfs/dbraw/zinc/89/06/14/650890614.db2.gz WZWJQPZWFSMHHB-GDBMZVCRSA-N 1 0 291.414 2.418 20 10 CECDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112380126 644101592 /nfs/dbraw/zinc/10/15/92/644101592.db2.gz VFVSSMSWRNQPDJ-BMIGLBTASA-N 1 0 281.352 2.008 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c1 ZINC000877753124 650896925 /nfs/dbraw/zinc/89/69/25/650896925.db2.gz NBSJPBKMEDIAGX-CYBMUJFWSA-N 1 0 279.380 2.384 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)[C@@H]1SC ZINC000839067026 644137615 /nfs/dbraw/zinc/13/76/15/644137615.db2.gz MCBVBZSOTKXPNL-CFVMTHIKSA-N 1 0 297.420 2.399 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)[C@H]1SC ZINC000839067024 644137962 /nfs/dbraw/zinc/13/79/62/644137962.db2.gz MCBVBZSOTKXPNL-BPLDGKMQSA-N 1 0 297.420 2.399 20 10 CECDRO C[C@@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1ccccc1O ZINC000877755421 650899032 /nfs/dbraw/zinc/89/90/32/650899032.db2.gz AQMYGQUXRCPCIQ-LLVKDONJSA-N 1 0 286.331 2.409 20 10 CECDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1O)C1CCOCC1 ZINC000877755881 650899099 /nfs/dbraw/zinc/89/90/99/650899099.db2.gz QFRCSNIFYXWNIC-WBMJQRKESA-N 1 0 279.380 2.484 20 10 CECDRO CC(C)CC(=O)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000877774875 650905618 /nfs/dbraw/zinc/90/56/18/650905618.db2.gz PGVAYSSKTVDOFB-UHFFFAOYSA-N 1 0 290.407 2.473 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1O ZINC000754748429 644423393 /nfs/dbraw/zinc/42/33/93/644423393.db2.gz LYVIFGNLGGFPIY-GXTWGEPZSA-N 1 0 279.380 2.445 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COCCO2)c(O)c1C ZINC000756435135 644648491 /nfs/dbraw/zinc/64/84/91/644648491.db2.gz WNKUTFGQWWDSAB-CHWSQXEVSA-N 1 0 265.353 2.075 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COCC2CC2)c(O)c1 ZINC000756509355 644656885 /nfs/dbraw/zinc/65/68/85/644656885.db2.gz AWSMBKFZKCYSCE-GXTWGEPZSA-N 1 0 279.380 2.139 20 10 CECDRO COCCN(C)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756528725 644658805 /nfs/dbraw/zinc/65/88/05/644658805.db2.gz OZNJGXDDDMKMQN-WCQYABFASA-N 1 0 296.386 2.247 20 10 CECDRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Cl)ccc1O ZINC000756535702 644659565 /nfs/dbraw/zinc/65/95/65/644659565.db2.gz PUYJDHVVGCDDSJ-VXGBXAGGSA-N 1 0 298.814 2.417 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756577223 644670142 /nfs/dbraw/zinc/67/01/42/644670142.db2.gz QWVCETGBTNQRQR-BPYAMOTFSA-N 1 0 283.343 2.067 20 10 CECDRO CCc1nncn1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756620470 644674337 /nfs/dbraw/zinc/67/43/37/644674337.db2.gz KIASPUFCGJIFCH-JTQLQIEISA-N 1 0 278.331 2.036 20 10 CECDRO CCc1nncn1CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756621883 644675090 /nfs/dbraw/zinc/67/50/90/644675090.db2.gz UGXAGCMLBJWTMR-GFCCVEGCSA-N 1 0 274.368 2.205 20 10 CECDRO C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C(=O)N(C)C ZINC000756735462 644688623 /nfs/dbraw/zinc/68/86/23/644688623.db2.gz DGOVIDMLXGAOSZ-RKDXNWHRSA-N 1 0 270.760 2.173 20 10 CECDRO CCC[N@H+](Cc1cccc(F)c1[O-])C1CC[NH2+]CC1 ZINC000843044024 644746647 /nfs/dbraw/zinc/74/66/47/644746647.db2.gz AAFQSBUTFNQETD-UHFFFAOYSA-N 1 0 266.360 2.495 20 10 CECDRO COc1ccc(N2CCN(Cc3nccnc3C)CC2)cc1 ZINC000857011541 644781366 /nfs/dbraw/zinc/78/13/66/644781366.db2.gz FVZXUUNKLNSEQD-UHFFFAOYSA-N 1 0 298.390 2.116 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCn2ccnn2)c(O)c1C ZINC000757657673 644831566 /nfs/dbraw/zinc/83/15/66/644831566.db2.gz MVGYLRFIIVABBM-ZDUSSCGKSA-N 1 0 274.368 2.341 20 10 CECDRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Cl)ccc1O ZINC000757659867 644832968 /nfs/dbraw/zinc/83/29/68/644832968.db2.gz STOOKDJTGSCQHR-HZMBPMFUSA-N 1 0 299.798 2.484 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000857226263 644858855 /nfs/dbraw/zinc/85/88/55/644858855.db2.gz JKNSISBCRXUEKZ-RDJZCZTQSA-N 1 0 273.424 2.374 20 10 CECDRO COc1ccc(N2CCC[N@H+](CCF)CC2)cc1 ZINC000759329295 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1 0 286.375 2.349 20 10 CECDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000126280655 804842813 /nfs/dbraw/zinc/84/28/13/804842813.db2.gz YBDUZERNIGSDCW-UHFFFAOYSA-N 1 0 261.365 2.492 20 10 CECDRO CC[C@H](F)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268659006 804914229 /nfs/dbraw/zinc/91/42/29/804914229.db2.gz IYGABNFCKIHZON-OCCSQVGLSA-N 1 0 296.386 2.346 20 10 CECDRO CCc1ccc2c(c1)CCN2C(=O)C1=CCC[NH2+]CC1 ZINC001122339617 807655423 /nfs/dbraw/zinc/65/54/23/807655423.db2.gz PBTAIUBORSSHTD-UHFFFAOYSA-N 1 0 270.376 2.448 20 10 CECDRO Oc1cc(Cl)c(Cl)cc1CN1CC[NH2+][C@H]2C[C@H]21 ZINC001235289902 807809849 /nfs/dbraw/zinc/80/98/49/807809849.db2.gz JTXSAJRSGBLKBC-WDEREUQCSA-N 1 0 273.163 2.245 20 10 CECDRO CC(C)[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001235471005 807834411 /nfs/dbraw/zinc/83/44/11/807834411.db2.gz MKESCOCAEKQNOM-INIZCTEOSA-N 1 0 261.413 2.182 20 10 CECDRO [NH3+][C@@]12C[C@@H]1CN(Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236026025 807936465 /nfs/dbraw/zinc/93/64/65/807936465.db2.gz MDFFYXAHOPLBOO-PRHODGIISA-N 1 0 273.163 2.232 20 10 CECDRO CC[C@H]([NH3+])CN(C)Cc1ccc(N2CCCC2)cc1 ZINC001236866223 808181063 /nfs/dbraw/zinc/18/10/63/808181063.db2.gz WXNJLEUEKQPDNW-HNNXBMFYSA-N 1 0 261.413 2.456 20 10 CECDRO C[NH+]1CCN(Cc2c(O)cccc2OC(F)(F)F)CC1 ZINC001237120467 808193510 /nfs/dbraw/zinc/19/35/10/808193510.db2.gz QCVYMFBMTGPUSJ-UHFFFAOYSA-N 1 0 290.285 2.038 20 10 CECDRO CC(C)(C)C[N@H+](CCCO)Cc1ccc(N)cc1 ZINC001120263356 815209221 /nfs/dbraw/zinc/20/92/21/815209221.db2.gz NLXIURQUUPCIKK-UHFFFAOYSA-N 1 0 250.386 2.499 20 10 CECDRO CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001173261754 815642114 /nfs/dbraw/zinc/64/21/14/815642114.db2.gz VDWATKALLSPZJA-HCKVZZMMSA-N 1 0 265.353 2.300 20 10 CECDRO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC001120706834 815260305 /nfs/dbraw/zinc/26/03/05/815260305.db2.gz DAEPNORDBNFPLH-OAHLLOKOSA-N 1 0 290.407 2.471 20 10 CECDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172021331 815268760 /nfs/dbraw/zinc/26/87/60/815268760.db2.gz DCBZMUPJRKOTKY-HNNXBMFYSA-N 1 0 288.391 2.368 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2CC[C@@]3(CCN(C)C3=O)C2)c1O ZINC001273049672 809183490 /nfs/dbraw/zinc/18/34/90/809183490.db2.gz ZMDKFQKPZMWZBB-KRWDZBQOSA-N 1 0 288.391 2.063 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](CCF)C2)c1 ZINC000700591122 809326785 /nfs/dbraw/zinc/32/67/85/809326785.db2.gz PMMCBLPYDLWRLA-CYBMUJFWSA-N 1 0 253.317 2.261 20 10 CECDRO NC(=O)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000113313319 809405652 /nfs/dbraw/zinc/40/56/52/809405652.db2.gz GPBSBWRZLFZGGE-UHFFFAOYSA-N 1 0 290.750 2.434 20 10 CECDRO CCOc1cccc(C[N@H+]2CC[C@H](OCC)C2)c1O ZINC000701661572 809449354 /nfs/dbraw/zinc/44/93/54/809449354.db2.gz NNJSAJFJBMWYOG-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO [O-]c1c(F)c(F)ccc1C[NH2+]CCCn1ccnc1 ZINC000703417735 809648961 /nfs/dbraw/zinc/64/89/61/809648961.db2.gz PAWJKRGBEFMZIB-UHFFFAOYSA-N 1 0 267.279 2.047 20 10 CECDRO CC[C@H]([NH2+]Cc1c(O)cccc1Br)[C@@H](C)O ZINC000706831394 809857021 /nfs/dbraw/zinc/85/70/21/809857021.db2.gz CKAVPEPDDAPNOQ-KCJUWKMLSA-N 1 0 288.185 2.404 20 10 CECDRO CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000708678820 809933080 /nfs/dbraw/zinc/93/30/80/809933080.db2.gz BOVLLJOATXZOBR-IUODEOHRSA-N 1 0 275.396 2.024 20 10 CECDRO C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C[NH+]1CCCC1 ZINC000708557817 809945372 /nfs/dbraw/zinc/94/53/72/809945372.db2.gz BOVDMHMLCFEITG-LLVKDONJSA-N 1 0 284.350 2.492 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)[C@H](CO)SC)c1O ZINC000709456720 809961889 /nfs/dbraw/zinc/96/18/89/809961889.db2.gz SZWLMVMWPYXEKN-GWCFXTLKSA-N 1 0 269.410 2.157 20 10 CECDRO CCC[N@@H+]1CCC[C@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC001122094814 815383890 /nfs/dbraw/zinc/38/38/90/815383890.db2.gz PXUWDALTTINZIH-ZDUSSCGKSA-N 1 0 275.396 2.354 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1O ZINC001168985349 811311703 /nfs/dbraw/zinc/31/17/03/811311703.db2.gz DNCNNQMPDXWBGE-AAEUAGOBSA-N 1 0 264.325 2.236 20 10 CECDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)CO1 ZINC001169349787 811485744 /nfs/dbraw/zinc/48/57/44/811485744.db2.gz QSHUHPGLZRGEAM-LALPHHSUSA-N 1 0 293.363 2.154 20 10 CECDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC001169447971 811515385 /nfs/dbraw/zinc/51/53/85/811515385.db2.gz XZSKTKYORRTHBQ-CYBMUJFWSA-N 1 0 278.396 2.437 20 10 CECDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1O ZINC001169432502 811520988 /nfs/dbraw/zinc/52/09/88/811520988.db2.gz MFNKCSZWEIIBSH-GFCCVEGCSA-N 1 0 264.369 2.129 20 10 CECDRO CCc1cccc(C[NH2+]CCC(C)(C)CO)c1O ZINC000691433957 811756031 /nfs/dbraw/zinc/75/60/31/811756031.db2.gz KIYUTOURNDNZNE-UHFFFAOYSA-N 1 0 251.370 2.453 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2O)CCO1 ZINC001170180838 812327173 /nfs/dbraw/zinc/32/71/73/812327173.db2.gz CLGSLLDRQPMOGT-VXGBXAGGSA-N 1 0 251.326 2.145 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC001170524713 812619111 /nfs/dbraw/zinc/61/91/11/812619111.db2.gz NXHKKHHLLZPUSZ-DGCLKSJQSA-N 1 0 263.337 2.132 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001170560852 812674514 /nfs/dbraw/zinc/67/45/14/812674514.db2.gz MTMFULIJTSKSNR-OLZOCXBDSA-N 1 0 275.348 2.092 20 10 CECDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCCOC1 ZINC000388733971 813242868 /nfs/dbraw/zinc/24/28/68/813242868.db2.gz CGYHEYBMXXXAJW-WDEREUQCSA-N 1 0 253.317 2.436 20 10 CECDRO CC(C)(O)C(C)(C)C[NH2+]Cc1cc(F)ccc1O ZINC000393614388 813318464 /nfs/dbraw/zinc/31/84/64/813318464.db2.gz IHLDJTDSTJZZOF-UHFFFAOYSA-N 1 0 255.333 2.418 20 10 CECDRO C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[NH+](C)C ZINC001136025268 813589752 /nfs/dbraw/zinc/58/97/52/813589752.db2.gz DNXZYOMROVSZQR-CQSZACIVSA-N 1 0 289.423 2.195 20 10 CECDRO CCOC(=O)CN(CC[NH3+])c1ccc(OC)c(C(C)C)c1 ZINC001170996591 813732673 /nfs/dbraw/zinc/73/26/73/813732673.db2.gz UVYVGMRSIYKLIJ-UHFFFAOYSA-N 1 0 294.395 2.147 20 10 CECDRO COc1cccc(C[NH2+]CCc2ccc(C)cn2)c1O ZINC000689506963 813921428 /nfs/dbraw/zinc/92/14/28/813921428.db2.gz XPGNXCKYMODBCB-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c(O)c1 ZINC001144499453 814089719 /nfs/dbraw/zinc/08/97/19/814089719.db2.gz GSHWZSVBZLTXCZ-GFCCVEGCSA-N 1 0 291.269 2.373 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000694811062 814637011 /nfs/dbraw/zinc/63/70/11/814637011.db2.gz XVZHORCNWUXILT-PTEHBNRSSA-N 1 0 265.353 2.446 20 10 CECDRO Cc1nocc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000713485409 814858106 /nfs/dbraw/zinc/85/81/06/814858106.db2.gz KAVOXEDKOVMAKE-UHFFFAOYSA-N 1 0 257.337 2.395 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)c(O)c1 ZINC000713480344 814858640 /nfs/dbraw/zinc/85/86/40/814858640.db2.gz HRFXCZQJGRTXCJ-GJZGRUSLSA-N 1 0 277.364 2.448 20 10 CECDRO CC(C)CNC(=O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC001116569038 814865937 /nfs/dbraw/zinc/86/59/37/814865937.db2.gz YZVDGZXHPRECKY-JQWIXIFHSA-N 1 0 294.370 2.441 20 10 CECDRO CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001173261753 815642393 /nfs/dbraw/zinc/64/23/93/815642393.db2.gz VDWATKALLSPZJA-GMXABZIVSA-N 1 0 265.353 2.300 20 10 CECDRO COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@H]2C)c(O)c1 ZINC001249173000 815713110 /nfs/dbraw/zinc/71/31/10/815713110.db2.gz PKBYEPRXWDKYIO-GFCCVEGCSA-N 1 0 277.364 2.482 20 10 CECDRO Cc1c(C[NH+]2CC(C)(CO)C2)c2ccccc2n1C ZINC001138252610 815754729 /nfs/dbraw/zinc/75/47/29/815754729.db2.gz NMBWDLPJKDCOCG-UHFFFAOYSA-N 1 0 258.365 2.301 20 10 CECDRO CN1C(=O)CCC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001140059902 816180987 /nfs/dbraw/zinc/18/09/87/816180987.db2.gz AISAJQPEJMBOAH-UHFFFAOYSA-N 1 0 292.354 2.118 20 10 CECDRO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CCC2(C1)OCCO2 ZINC001140059945 816181672 /nfs/dbraw/zinc/18/16/72/816181672.db2.gz BTXRYEDWNFZRCG-ZDUSSCGKSA-N 1 0 281.327 2.259 20 10 CECDRO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1c(O)cccc1Br ZINC001140101303 816189518 /nfs/dbraw/zinc/18/95/18/816189518.db2.gz QTTIDJPIECTAEN-UWVGGRQHSA-N 1 0 297.196 2.043 20 10 CECDRO CC(=O)NC1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140178397 816203986 /nfs/dbraw/zinc/20/39/86/816203986.db2.gz KNADXZCSCJMPGE-UHFFFAOYSA-N 1 0 276.380 2.110 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](F)C[C@H](CO)C2)c1O ZINC001140178548 816204211 /nfs/dbraw/zinc/20/42/11/816204211.db2.gz OALMPUGQIAVFSH-STQMWFEESA-N 1 0 267.344 2.161 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1O ZINC001140184688 816205947 /nfs/dbraw/zinc/20/59/47/816205947.db2.gz DXGNNTAEHXMHGR-AWEZNQCLSA-N 1 0 286.379 2.438 20 10 CECDRO CC1(C(N)=O)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC001140341406 816237188 /nfs/dbraw/zinc/23/71/88/816237188.db2.gz MPHYBWGXYOWKBS-UHFFFAOYSA-N 1 0 282.771 2.133 20 10 CECDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464325 816259964 /nfs/dbraw/zinc/25/99/64/816259964.db2.gz LIXSPZBSYCJDNM-ZDUSSCGKSA-N 1 0 282.771 2.098 20 10 CECDRO COC(=O)CC[N@H+](C)Cc1ccc(Cl)cc1O ZINC001140464154 816260328 /nfs/dbraw/zinc/26/03/28/816260328.db2.gz DURQNCVWCNKKOM-UHFFFAOYSA-N 1 0 257.717 2.041 20 10 CECDRO COC[C@]12COC[C@H]1C[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140465912 816262105 /nfs/dbraw/zinc/26/21/05/816262105.db2.gz VUNGMSNFTIFKEW-IUODEOHRSA-N 1 0 297.782 2.140 20 10 CECDRO CO[C@@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140579982 816289233 /nfs/dbraw/zinc/28/92/33/816289233.db2.gz NCUIAKBODYFJKR-SNVBAGLBSA-N 1 0 257.280 2.281 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c1 ZINC001140624125 816305753 /nfs/dbraw/zinc/30/57/53/816305753.db2.gz HIXPKEXSQMVNMM-UKRRQHHQSA-N 1 0 288.391 2.143 20 10 CECDRO CCNC(=O)OC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140623900 816307277 /nfs/dbraw/zinc/30/72/77/816307277.db2.gz WDXPVGVKQHBRCU-UHFFFAOYSA-N 1 0 292.379 2.411 20 10 CECDRO Cc1c(O)ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1O ZINC001140745995 816341137 /nfs/dbraw/zinc/34/11/37/816341137.db2.gz RTPZPPFTHMEWAR-CQSZACIVSA-N 1 0 276.380 2.076 20 10 CECDRO Cc1c(O)ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c1O ZINC001140747552 816341761 /nfs/dbraw/zinc/34/17/61/816341761.db2.gz FSZWLKFEDHUSPE-NXEZZACHSA-N 1 0 251.326 2.015 20 10 CECDRO CC[N@H+](CCn1ccnc1)Cc1ccc(O)c(C)c1O ZINC001140750123 816342678 /nfs/dbraw/zinc/34/26/78/816342678.db2.gz VYWCFSMAJARWHL-UHFFFAOYSA-N 1 0 275.352 2.125 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CC2COC2)c(O)c1 ZINC001140856383 816383330 /nfs/dbraw/zinc/38/33/30/816383330.db2.gz ZVBBLKKLNVNRGD-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO CN(C)c1ccc(CN2C[C@@H]3C[C@H]2C[N@@H+]3C)c(Cl)c1 ZINC001140925549 816412079 /nfs/dbraw/zinc/41/20/79/816412079.db2.gz CWMLMNBEWBBTAF-KBPBESRZSA-N 1 0 279.815 2.294 20 10 CECDRO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1 ZINC001140954074 816423866 /nfs/dbraw/zinc/42/38/66/816423866.db2.gz KQCUYPDIZXMPHZ-ZFWWWQNUSA-N 1 0 288.391 2.143 20 10 CECDRO Cc1ccc(C[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)c(O)c1 ZINC001140957979 816425667 /nfs/dbraw/zinc/42/56/67/816425667.db2.gz OSOZNKYHRZABDG-HIFRSBDPSA-N 1 0 260.381 2.227 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)c(OC)c1 ZINC001141026520 816448631 /nfs/dbraw/zinc/44/86/31/816448631.db2.gz UDDUNDFHLJYSPJ-INIZCTEOSA-N 1 0 293.363 2.022 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCC3(COC3)C2)c(OC)c1 ZINC001141026057 816449156 /nfs/dbraw/zinc/44/91/56/816449156.db2.gz ASKGFGGUCXAYQP-UHFFFAOYSA-N 1 0 293.363 2.022 20 10 CECDRO CN(CC[NH+](C)C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075090 816468711 /nfs/dbraw/zinc/46/87/11/816468711.db2.gz YLCROFSXWOJOMM-UHFFFAOYSA-N 1 0 287.451 2.379 20 10 CECDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140056 816484276 /nfs/dbraw/zinc/48/42/76/816484276.db2.gz HTFQKIKJUCCJHM-AWEZNQCLSA-N 1 0 276.380 2.126 20 10 CECDRO CN1CCOc2cc(C[NH+]3CC4(C3)CCCOC4)ccc21 ZINC001141140302 816484330 /nfs/dbraw/zinc/48/43/30/816484330.db2.gz KIDSCVFOEITVNT-UHFFFAOYSA-N 1 0 288.391 2.128 20 10 CECDRO C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)CC[C@H]1O ZINC001141139947 816484451 /nfs/dbraw/zinc/48/44/51/816484451.db2.gz FWKAQRPFZADQLB-XJKSGUPXSA-N 1 0 290.407 2.108 20 10 CECDRO Oc1ccc(O)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC001141159249 816489653 /nfs/dbraw/zinc/48/96/53/816489653.db2.gz DQRAWISEKBPKRE-AWEZNQCLSA-N 1 0 276.380 2.158 20 10 CECDRO CC(C)O[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141161752 816492218 /nfs/dbraw/zinc/49/22/18/816492218.db2.gz WUNGVYOTYYHSRL-CYBMUJFWSA-N 1 0 251.326 2.097 20 10 CECDRO COc1ccc(C[NH2+]CCS(=O)(=O)C(C)(C)C)cc1C ZINC001177869301 816628773 /nfs/dbraw/zinc/62/87/73/816628773.db2.gz ASHWDOOADDOKMV-UHFFFAOYSA-N 1 0 299.436 2.307 20 10 CECDRO C[NH+](C)[C@H]1CCCN(Cc2cc(F)c(F)cc2O)C1 ZINC001142520986 816679646 /nfs/dbraw/zinc/67/96/46/816679646.db2.gz SLSCXRYQAOBNQD-NSHDSACASA-N 1 0 270.323 2.196 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCOC2)c1 ZINC000037738140 361925906 /nfs/dbraw/zinc/92/59/06/361925906.db2.gz FYEHUCFLVKLYDN-MNOVXSKESA-N 1 0 251.326 2.088 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)C2)c(C(F)(F)F)c1 ZINC000279546518 539350535 /nfs/dbraw/zinc/35/05/35/539350535.db2.gz DDOZRRLGTUOAJP-LBPRGKRZSA-N 1 0 288.313 2.338 20 10 CECDRO Cc1nccn1CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000069753979 343791011 /nfs/dbraw/zinc/79/10/11/343791011.db2.gz DYXJNHPYPSCOAC-UHFFFAOYSA-N 1 0 272.396 2.437 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+](C)C[C@@H]2CCCO2)c1O ZINC000048948790 362313980 /nfs/dbraw/zinc/31/39/80/362313980.db2.gz CRMYWSYTPMZNBC-ZDUSSCGKSA-N 1 0 281.327 2.345 20 10 CECDRO CCCN(CC(=O)OC)Cc1cccc(OCC)c1O ZINC000178871535 344504433 /nfs/dbraw/zinc/50/44/33/344504433.db2.gz XCQJUZXYDCEAEJ-UHFFFAOYSA-N 1 0 281.352 2.176 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCCSC2)c1O ZINC000135702274 366468786 /nfs/dbraw/zinc/46/87/86/366468786.db2.gz OUVHIRJLMSLIPM-NSHDSACASA-N 1 0 253.367 2.386 20 10 CECDRO C[NH+](C)C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000237029921 370680602 /nfs/dbraw/zinc/68/06/02/370680602.db2.gz ONTVNABODVQLNC-KRWDZBQOSA-N 1 0 297.402 2.230 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(N(C)C)cc1 ZINC000154543540 366777881 /nfs/dbraw/zinc/77/78/81/366777881.db2.gz YIEXUBCFTFDDTM-CJNGLKHVSA-N 1 0 261.413 2.497 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC000093820260 364233651 /nfs/dbraw/zinc/23/36/51/364233651.db2.gz ICUCMPZTLRZMMC-MRXNPFEDSA-N 1 0 277.364 2.403 20 10 CECDRO CC1(C[NH2+]Cc2cc(Br)ccc2O)COC1 ZINC000112711882 364833203 /nfs/dbraw/zinc/83/32/03/364833203.db2.gz LDMFRWKEHIEEEQ-UHFFFAOYSA-N 1 0 286.169 2.281 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[S@](C)=O)cc1 ZINC000168215785 367350182 /nfs/dbraw/zinc/35/01/82/367350182.db2.gz GLUYKHMCAPUWFL-BFUOFWGJSA-N 1 0 282.453 2.389 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C(C)C)c1 ZINC000168776273 367360049 /nfs/dbraw/zinc/36/00/49/367360049.db2.gz FEDJCSLPJXCRMA-YGRLFVJLSA-N 1 0 253.342 2.068 20 10 CECDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1CCCOC1 ZINC000180086437 368366201 /nfs/dbraw/zinc/36/62/01/368366201.db2.gz SPFVNORDZJFQTF-NSHDSACASA-N 1 0 253.317 2.390 20 10 CECDRO COC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@@H](C)O1 ZINC000190214914 369605912 /nfs/dbraw/zinc/60/59/12/369605912.db2.gz CKTBPRCVQOILND-HIFRSBDPSA-N 1 0 279.380 2.245 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000190304460 369611524 /nfs/dbraw/zinc/61/15/24/369611524.db2.gz MDAQKAMPHHCNAZ-BXUZGUMPSA-N 1 0 265.353 2.042 20 10 CECDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000191757984 369740555 /nfs/dbraw/zinc/74/05/55/369740555.db2.gz CQFOHCNFTBNOBH-FZMZJTMJSA-N 1 0 266.360 2.406 20 10 CECDRO CCOCCOCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000191568325 369723309 /nfs/dbraw/zinc/72/33/09/369723309.db2.gz LBWYUPRKSHGMLC-UHFFFAOYSA-N 1 0 280.412 2.238 20 10 CECDRO C[C@@H](CCNC(=O)c1cccc(O)c1O)[NH+]1CCCCC1 ZINC000193161583 369900384 /nfs/dbraw/zinc/90/03/84/369900384.db2.gz TYPWODWUFYWFIS-LBPRGKRZSA-N 1 0 292.379 2.092 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000249874333 371368854 /nfs/dbraw/zinc/36/88/54/371368854.db2.gz GRBRRFOVURUJBQ-GZBFAFLISA-N 1 0 263.337 2.058 20 10 CECDRO COC[C@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268803284 372230372 /nfs/dbraw/zinc/23/03/72/372230372.db2.gz BRUBBOKPFVUEPJ-AWEZNQCLSA-N 1 0 292.423 2.020 20 10 CECDRO CC[C@H](C(=O)NCc1ccccc1O)[NH+](CC)CC ZINC000269157868 372361239 /nfs/dbraw/zinc/36/12/39/372361239.db2.gz SSTQFDNNYSMMHV-CYBMUJFWSA-N 1 0 264.369 2.129 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[S@](=O)CC[C@H]2C)c1 ZINC000365444849 372861780 /nfs/dbraw/zinc/86/17/80/372861780.db2.gz AQNINEDDQNWKSG-KZULUSFZSA-N 1 0 267.394 2.044 20 10 CECDRO CC[C@@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)[NH+](C)C ZINC000271093302 373115030 /nfs/dbraw/zinc/11/50/30/373115030.db2.gz VAFIVISGSUQGBH-INIZCTEOSA-N 1 0 291.439 2.441 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCN(C3CCC3)CC2)c1 ZINC000271163539 373153281 /nfs/dbraw/zinc/15/32/81/373153281.db2.gz GNOQJSNXRNDICR-UHFFFAOYSA-N 1 0 260.381 2.371 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCO[C@H](C)C2)c1O ZINC000271259446 373185228 /nfs/dbraw/zinc/18/52/28/373185228.db2.gz AJXZIYVRVQDTRB-NEPJUHHUSA-N 1 0 265.353 2.306 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1OC ZINC000271794256 373201698 /nfs/dbraw/zinc/20/16/98/373201698.db2.gz HQRSXLQFHNRNSX-CMPLNLGQSA-N 1 0 281.352 2.067 20 10 CECDRO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccccc1O ZINC000272888033 373694112 /nfs/dbraw/zinc/69/41/12/373694112.db2.gz SCJFVQAYBGWELS-NSHDSACASA-N 1 0 262.353 2.089 20 10 CECDRO COC[C@@H](C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273412858 373754591 /nfs/dbraw/zinc/75/45/91/373754591.db2.gz QEOACELHXIYXJF-WDEREUQCSA-N 1 0 281.352 2.112 20 10 CECDRO COC[C@@H](C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273412856 373755509 /nfs/dbraw/zinc/75/55/09/373755509.db2.gz QEOACELHXIYXJF-QWRGUYRKSA-N 1 0 281.352 2.112 20 10 CECDRO COC(=O)N1CC([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273451668 373757842 /nfs/dbraw/zinc/75/78/42/373757842.db2.gz GCNBCKBQUMPLDN-LLVKDONJSA-N 1 0 278.352 2.110 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](C)OC)c1 ZINC000273568721 373765497 /nfs/dbraw/zinc/76/54/97/373765497.db2.gz KEWCEYQTUXEMRH-GHMZBOCLSA-N 1 0 253.342 2.476 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c(O)c1C ZINC000273622775 373768828 /nfs/dbraw/zinc/76/88/28/373768828.db2.gz ZPHCFNWUSCOPDM-CHWSQXEVSA-N 1 0 276.380 2.280 20 10 CECDRO CC[C@@H](O)CC[NH2+]Cc1cc(Br)ccc1O ZINC000166139535 261383963 /nfs/dbraw/zinc/38/39/63/261383963.db2.gz RWCUWWVGLOAACP-LLVKDONJSA-N 1 0 288.185 2.405 20 10 CECDRO COCCCN1CCC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC000371414052 373875357 /nfs/dbraw/zinc/87/53/57/373875357.db2.gz CDXZAXHQAOXIBN-UHFFFAOYSA-N 1 0 292.423 2.245 20 10 CECDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372590893 374164128 /nfs/dbraw/zinc/16/41/28/374164128.db2.gz GTCOYTZCWNGZMW-RYUDHWBXSA-N 1 0 288.351 2.000 20 10 CECDRO C[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000282062697 375399962 /nfs/dbraw/zinc/39/99/62/375399962.db2.gz MSCYQWVEDQHAPV-CZUORRHYSA-N 1 0 289.423 2.147 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(N(C)C)cc1 ZINC000282821478 375586038 /nfs/dbraw/zinc/58/60/38/375586038.db2.gz RTXAMUAZWACFSH-SWLSCSKDSA-N 1 0 295.402 2.268 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2cc(C)nn2C)c1O ZINC000283985564 375792066 /nfs/dbraw/zinc/79/20/66/375792066.db2.gz OMVAQDHDZHPKQP-UHFFFAOYSA-N 1 0 275.352 2.123 20 10 CECDRO COc1cccc(C[NH2+][C@H](c2nncn2C)C(C)C)c1O ZINC000285606154 375842518 /nfs/dbraw/zinc/84/25/18/375842518.db2.gz VNTSHHRRVSLTOF-ZDUSSCGKSA-N 1 0 290.367 2.016 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000288507097 376378346 /nfs/dbraw/zinc/37/83/46/376378346.db2.gz ILPRUTUVFDXGPK-YOEHRIQHSA-N 1 0 285.343 2.285 20 10 CECDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000288595315 376380242 /nfs/dbraw/zinc/38/02/42/376380242.db2.gz DPVVEIDYZKPMON-ZFWWWQNUSA-N 1 0 262.397 2.345 20 10 CECDRO C[C@H](CO)[N@@H+](Cc1cc2c(cc1O)OCO2)CC1CCC1 ZINC000289345034 376393434 /nfs/dbraw/zinc/39/34/34/376393434.db2.gz IJTYYIOYBMLHRJ-LLVKDONJSA-N 1 0 293.363 2.104 20 10 CECDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000293165400 377454089 /nfs/dbraw/zinc/45/40/89/377454089.db2.gz VWXRMZPUCKVILD-CZUORRHYSA-N 1 0 262.397 2.393 20 10 CECDRO CC[C@H]([NH2+]CCCc1cnn(C)n1)c1ccccc1O ZINC000293766526 377746969 /nfs/dbraw/zinc/74/69/69/377746969.db2.gz RSGLUZGWUJSXIC-AWEZNQCLSA-N 1 0 274.368 2.194 20 10 CECDRO CCC[C@H](C[NH2+]Cc1cc(OC)ccc1O)OC ZINC000293823466 377775196 /nfs/dbraw/zinc/77/51/96/377775196.db2.gz ZXURKSJSDYYDIN-CYBMUJFWSA-N 1 0 253.342 2.306 20 10 CECDRO C[C@H]1CN(Cc2cc(F)ccc2O)CC[N@@H+](C2CC2)C1 ZINC000294657118 378003152 /nfs/dbraw/zinc/00/31/52/378003152.db2.gz ADOMATJLXLHOHZ-LBPRGKRZSA-N 1 0 278.371 2.447 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)C(F)F ZINC000294993168 378034454 /nfs/dbraw/zinc/03/44/54/378034454.db2.gz HULLJVVLQXNGGL-MWLCHTKSSA-N 1 0 263.259 2.026 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000295185396 378047853 /nfs/dbraw/zinc/04/78/53/378047853.db2.gz WNSMGBIZHQOXMW-OAHLLOKOSA-N 1 0 293.313 2.364 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]Cc1nnc(C3CC3)[nH]1)CC2 ZINC000296583786 378584226 /nfs/dbraw/zinc/58/42/26/378584226.db2.gz UNVYEMDRTSMJFX-NSHDSACASA-N 1 0 270.336 2.165 20 10 CECDRO C[C@H]([C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000297766280 378689516 /nfs/dbraw/zinc/68/95/16/378689516.db2.gz OZZGNGZRFFHAOB-GZBFAFLISA-N 1 0 290.407 2.078 20 10 CECDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297820716 378690177 /nfs/dbraw/zinc/69/01/77/378690177.db2.gz RJVSAKZQPUDJRQ-BYCMXARLSA-N 1 0 272.392 2.452 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCc2cnn(C)c2)c1O ZINC000228671645 394476467 /nfs/dbraw/zinc/47/64/67/394476467.db2.gz ZBPHDVWKHHCTBW-UHFFFAOYSA-N 1 0 295.770 2.120 20 10 CECDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092734325 394662159 /nfs/dbraw/zinc/66/21/59/394662159.db2.gz DHPSPWJHKQEEEW-AWEZNQCLSA-N 1 0 290.407 2.439 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000093645782 394669425 /nfs/dbraw/zinc/66/94/25/394669425.db2.gz JYGGTGHEVBJLDQ-HNNXBMFYSA-N 1 0 277.364 2.402 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc1 ZINC000270455239 394734877 /nfs/dbraw/zinc/73/48/77/394734877.db2.gz DKVXJYKRLZUUID-LBPRGKRZSA-N 1 0 276.302 2.156 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000362035173 394842599 /nfs/dbraw/zinc/84/25/99/394842599.db2.gz ZOCZTKBQDHRTDN-IAGOWNOFSA-N 1 0 290.407 2.167 20 10 CECDRO CCOc1cccc(C[N@H+](C)[C@@H](C)COC)c1O ZINC000132682368 394935692 /nfs/dbraw/zinc/93/56/92/394935692.db2.gz VCHJIMQHXYGXRV-NSHDSACASA-N 1 0 253.342 2.258 20 10 CECDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1cc(C)ccc1O)C2 ZINC000372951694 395050530 /nfs/dbraw/zinc/05/05/30/395050530.db2.gz JXDOCOGCWSJSHU-PBHICJAKSA-N 1 0 289.375 2.476 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1C ZINC000373494277 395061815 /nfs/dbraw/zinc/06/18/15/395061815.db2.gz BRFZYTAPPXQXJG-BXKDBHETSA-N 1 0 283.755 2.287 20 10 CECDRO C[C@H](CCn1cccn1)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000372419989 395041655 /nfs/dbraw/zinc/04/16/55/395041655.db2.gz FMYWJXOHKWARNM-CQSZACIVSA-N 1 0 284.407 2.444 20 10 CECDRO COC[C@@H]([NH2+]Cc1cccc(OC)c1O)c1ccco1 ZINC000177572957 395152714 /nfs/dbraw/zinc/15/27/14/395152714.db2.gz YRRZIGHKWIRSHZ-GFCCVEGCSA-N 1 0 277.320 2.471 20 10 CECDRO C[C@@H]([NH2+]CCCN1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000178586832 395170193 /nfs/dbraw/zinc/17/01/93/395170193.db2.gz SKVMSVDLCBFUAN-CYBMUJFWSA-N 1 0 291.395 2.246 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@H](O)C[C@@H]2C)ccc1N(C)C ZINC000293639436 395245068 /nfs/dbraw/zinc/24/50/68/395245068.db2.gz RPDOMFIDBMYZFK-ZFWWWQNUSA-N 1 0 262.397 2.406 20 10 CECDRO CCC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000183291450 395254572 /nfs/dbraw/zinc/25/45/72/395254572.db2.gz SMDGVQVZXDMXLN-UHFFFAOYSA-N 1 0 252.333 2.059 20 10 CECDRO CCCOc1ccc(C[N@H+](CC)[C@@H](C)CO)c(O)c1 ZINC000293715763 395249599 /nfs/dbraw/zinc/24/95/99/395249599.db2.gz SUCWVVFRKDKOJU-LBPRGKRZSA-N 1 0 267.369 2.384 20 10 CECDRO Oc1cccc(N2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000179554343 395194720 /nfs/dbraw/zinc/19/47/20/395194720.db2.gz INHLOTFRKUHECM-UHFFFAOYSA-N 1 0 284.359 2.420 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000179563988 395195564 /nfs/dbraw/zinc/19/55/64/395195564.db2.gz XSPKSWYNHHKRRY-HNNXBMFYSA-N 1 0 260.381 2.452 20 10 CECDRO COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000183415133 395255832 /nfs/dbraw/zinc/25/58/32/395255832.db2.gz ZHNXJGFVBUQDBM-ZDUSSCGKSA-N 1 0 266.385 2.011 20 10 CECDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(F)ccc1O ZINC000293951513 395258519 /nfs/dbraw/zinc/25/85/19/395258519.db2.gz IUQOZPNDBNFQRZ-IINYFYTJSA-N 1 0 253.317 2.172 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000183523614 395259211 /nfs/dbraw/zinc/25/92/11/395259211.db2.gz UPOCURAGKFBPOV-GBIKHYSHSA-N 1 0 255.383 2.155 20 10 CECDRO C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035274904 172095283 /nfs/dbraw/zinc/09/52/83/172095283.db2.gz QABQXTKAYNBXEU-CYBMUJFWSA-N 1 0 258.369 2.127 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCCS(C)(=O)=O)cc1 ZINC000038047423 174057877 /nfs/dbraw/zinc/05/78/77/174057877.db2.gz MYGKQXKZQHDQSZ-UHFFFAOYSA-N 1 0 298.452 2.057 20 10 CECDRO C[NH2+]CCc1ccccc1C(=O)N(C)c1ccc(OC)nc1 ZINC000662898279 414796626 /nfs/dbraw/zinc/79/66/26/414796626.db2.gz SQLOASLOTLFAHQ-UHFFFAOYSA-N 1 0 299.374 2.129 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)C2CCOCC2)c1 ZINC000089725901 260238361 /nfs/dbraw/zinc/23/83/61/260238361.db2.gz FDHOVMJGGUQABM-LLVKDONJSA-N 1 0 265.353 2.306 20 10 CECDRO CC[C@H]([NH2+]CCN1CCSCC1)c1ccccc1O ZINC000223816439 260371725 /nfs/dbraw/zinc/37/17/25/260371725.db2.gz QOHKJHVEZXWPDD-AWEZNQCLSA-N 1 0 280.437 2.482 20 10 CECDRO OCC[N@H+](Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000155126024 261098087 /nfs/dbraw/zinc/09/80/87/261098087.db2.gz ASTMDIQEBPBKQV-UHFFFAOYSA-N 1 0 293.363 2.248 20 10 CECDRO CCCNC(=O)C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000158299904 261163499 /nfs/dbraw/zinc/16/34/99/261163499.db2.gz MCGZBEPQZYFFTC-ZDUSSCGKSA-N 1 0 277.412 2.320 20 10 CECDRO CCOc1cccc(C[NH+]2CCC(C(=O)OC)CC2)c1O ZINC000159200610 261180696 /nfs/dbraw/zinc/18/06/96/261180696.db2.gz RJTNHWMHHYLNBY-UHFFFAOYSA-N 1 0 293.363 2.176 20 10 CECDRO CCOC(=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179867808 261821429 /nfs/dbraw/zinc/82/14/29/261821429.db2.gz PZWQWZNLTQPFSX-UHFFFAOYSA-N 1 0 281.327 2.306 20 10 CECDRO C[C@@H]([NH2+]CCC(=O)N(C)C)c1cc(Cl)ccc1O ZINC000185264390 262048021 /nfs/dbraw/zinc/04/80/21/262048021.db2.gz LIWITECPQGMSLC-SECBINFHSA-N 1 0 270.760 2.175 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)c(O)c1 ZINC000185639130 262063704 /nfs/dbraw/zinc/06/37/04/262063704.db2.gz WKHGAAJWXDBJEL-FZMZJTMJSA-N 1 0 267.394 2.219 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c(O)c1 ZINC000186090091 262079396 /nfs/dbraw/zinc/07/93/96/262079396.db2.gz UNIGSVFHUOHLCT-LBPRGKRZSA-N 1 0 297.420 2.176 20 10 CECDRO COC(=O)N1CC([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000186137200 262081134 /nfs/dbraw/zinc/08/11/34/262081134.db2.gz ONSYVDLWFPDMGQ-QMMMGPOBSA-N 1 0 284.743 2.147 20 10 CECDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186203067 262084433 /nfs/dbraw/zinc/08/44/33/262084433.db2.gz YKBYBKNKYOZDON-WFASDCNBSA-N 1 0 293.407 2.319 20 10 CECDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCCOCC2)c1 ZINC000365003462 262267426 /nfs/dbraw/zinc/26/74/26/262267426.db2.gz ZGGMCCIGTCUIFQ-LLVKDONJSA-N 1 0 251.326 2.184 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000186798212 262324523 /nfs/dbraw/zinc/32/45/23/262324523.db2.gz LDEBEVOUTOHZAM-PSOPSSQASA-N 1 0 265.353 2.355 20 10 CECDRO CC[C@@](C)(O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000154533313 276535390 /nfs/dbraw/zinc/53/53/90/276535390.db2.gz PONLOGYCIRNNQI-QGZVFWFLSA-N 1 0 292.423 2.415 20 10 CECDRO CC(C)[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000283855486 280345879 /nfs/dbraw/zinc/34/58/79/280345879.db2.gz HRHDFIYDGBFTBM-DOTOQJQBSA-N 1 0 293.407 2.390 20 10 CECDRO COc1cccc(C[N@H+](CC2CCC2)[C@H](C)CO)c1O ZINC000289347217 295295105 /nfs/dbraw/zinc/29/51/05/295295105.db2.gz IPOMDWJPEOVSLL-GFCCVEGCSA-N 1 0 279.380 2.384 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(Cl)cc1O ZINC000527956353 297767741 /nfs/dbraw/zinc/76/77/41/297767741.db2.gz VODYDTGBXCWSBH-FZZIBODNSA-N 1 0 285.771 2.236 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1O ZINC000163076468 327706163 /nfs/dbraw/zinc/70/61/63/327706163.db2.gz QPLCXMDQVCOHQC-ONGXEEELSA-N 1 0 281.327 2.249 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@@H]2CCCO2)c2c1c(F)ccc2O ZINC000527955032 313220433 /nfs/dbraw/zinc/22/04/33/313220433.db2.gz LRMWPKTXJOIWAA-MWQHPAIMSA-N 1 0 295.354 2.209 20 10 CECDRO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000185705576 327842857 /nfs/dbraw/zinc/84/28/57/327842857.db2.gz QWDDTBJWKLMDEW-WCQYABFASA-N 1 0 283.343 2.378 20 10 CECDRO COc1ccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1C ZINC000283800103 328244937 /nfs/dbraw/zinc/24/49/37/328244937.db2.gz AKDUUOJIWYCJEK-GDBMZVCRSA-N 1 0 295.423 2.251 20 10 CECDRO C[S@](=O)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000296240945 327091214 /nfs/dbraw/zinc/09/12/14/327091214.db2.gz AUUXTQBWMRWVEP-BLVKFPJESA-N 1 0 279.405 2.270 20 10 CECDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000093755432 327199914 /nfs/dbraw/zinc/19/99/14/327199914.db2.gz HZZINMXYKMZDNB-CQSZACIVSA-N 1 0 279.380 2.186 20 10 CECDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000093753984 327200022 /nfs/dbraw/zinc/20/00/22/327200022.db2.gz IVPVSAXHDPLEJV-INIZCTEOSA-N 1 0 292.423 2.238 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c1O ZINC000378127892 329040853 /nfs/dbraw/zinc/04/08/53/329040853.db2.gz IHCCMTQKIAOOAX-INIZCTEOSA-N 1 0 279.380 2.241 20 10 CECDRO O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000179488239 329209015 /nfs/dbraw/zinc/20/90/15/329209015.db2.gz JFCXRGTWHOJLSZ-CYBMUJFWSA-N 1 0 294.782 2.289 20 10 CECDRO Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000179580768 329209891 /nfs/dbraw/zinc/20/98/91/329209891.db2.gz WEGFSSRBKANTDO-OAHLLOKOSA-N 1 0 270.332 2.441 20 10 CECDRO Oc1ccc(F)cc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000180015134 329214483 /nfs/dbraw/zinc/21/44/83/329214483.db2.gz MPOIAZSBXPUELZ-UHFFFAOYSA-N 1 0 264.344 2.201 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(F)cc1[O-] ZINC000186115065 329338172 /nfs/dbraw/zinc/33/81/72/329338172.db2.gz KHFJJLONKLMDMN-SKDRFNHKSA-N 1 0 275.327 2.463 20 10 CECDRO C[C@@H]([NH2+]CC1COC1)c1cc(Br)ccc1O ZINC000528024134 330304894 /nfs/dbraw/zinc/30/48/94/330304894.db2.gz GQXNYLVIODPNHF-MRVPVSSYSA-N 1 0 286.169 2.452 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000222613553 333197669 /nfs/dbraw/zinc/19/76/69/333197669.db2.gz AKIYLWGJSRBNJG-SKDRFNHKSA-N 1 0 276.302 2.326 20 10 CECDRO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1ccccc1O ZINC000251573010 334364407 /nfs/dbraw/zinc/36/44/07/334364407.db2.gz CBSUAOHFZPUPPT-HIFRSBDPSA-N 1 0 260.381 2.451 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+](CCO)C(C)C)c1O ZINC000050158094 518278396 /nfs/dbraw/zinc/27/83/96/518278396.db2.gz KZNHCVJLMBIICW-UHFFFAOYSA-N 1 0 285.771 2.451 20 10 CECDRO CCOc1ccc(N(CC)C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000289402690 521024948 /nfs/dbraw/zinc/02/49/48/521024948.db2.gz SUAFLRLJSGTPJY-INIZCTEOSA-N 1 0 292.423 2.367 20 10 CECDRO CC[N@H+](CCCO)Cc1cc(Br)ccc1O ZINC000076118534 521037889 /nfs/dbraw/zinc/03/78/89/521037889.db2.gz SDUQTUVRVAMLAT-UHFFFAOYSA-N 1 0 288.185 2.359 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCCn2ccnc2C)c1 ZINC000263733659 521151821 /nfs/dbraw/zinc/15/18/21/521151821.db2.gz YNMWQVRYHVXHKT-UHFFFAOYSA-N 1 0 289.379 2.476 20 10 CECDRO CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)[C@H](C)CO ZINC000292174302 521288821 /nfs/dbraw/zinc/28/88/21/521288821.db2.gz MATFRZAPIJUELA-SECBINFHSA-N 1 0 285.771 2.451 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2cccc(OC)c2O)o1 ZINC000265195533 522033107 /nfs/dbraw/zinc/03/31/07/522033107.db2.gz OYAOGYMQBCOCRW-UHFFFAOYSA-N 1 0 291.303 2.070 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)cc1F ZINC000276020153 522179331 /nfs/dbraw/zinc/17/93/31/522179331.db2.gz QSSSCCFIQYVTFG-HNNXBMFYSA-N 1 0 280.387 2.485 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1F ZINC000294261661 522190097 /nfs/dbraw/zinc/19/00/97/522190097.db2.gz ZZZBKBAUIFBFCZ-GXTWGEPZSA-N 1 0 293.386 2.025 20 10 CECDRO CC[C@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)OC ZINC000290036190 522197486 /nfs/dbraw/zinc/19/74/86/522197486.db2.gz DFJISMDBSDWOHG-WDEREUQCSA-N 1 0 253.342 2.476 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCCCCCO)cc1 ZINC000083383750 522206004 /nfs/dbraw/zinc/20/60/04/522206004.db2.gz GVLHIRYWHMWJLR-UHFFFAOYSA-N 1 0 250.386 2.395 20 10 CECDRO CC[C@H]([NH2+][C@H](C)CN1CCOCC1)c1ccc(C)cc1O ZINC000280032659 522733782 /nfs/dbraw/zinc/73/37/82/522733782.db2.gz IHKLIWWUVRIUKA-ZBFHGGJFSA-N 1 0 292.423 2.462 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(C)cc1O ZINC000279949796 522750993 /nfs/dbraw/zinc/75/09/93/522750993.db2.gz BQHMZDCXHXRNLQ-JSGCOSHPSA-N 1 0 276.380 2.362 20 10 CECDRO COCC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000291739089 522899913 /nfs/dbraw/zinc/89/99/13/522899913.db2.gz OSZVHGSUBVHDAJ-UHFFFAOYSA-N 1 0 291.391 2.154 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1C ZINC000062258275 524088024 /nfs/dbraw/zinc/08/80/24/524088024.db2.gz NLSZLFAIFSLDHF-GFCCVEGCSA-N 1 0 278.396 2.396 20 10 CECDRO C[C@H](CN1CCOCC1)[N@H+](C)Cc1c(O)cccc1Cl ZINC000279498195 524347676 /nfs/dbraw/zinc/34/76/76/524347676.db2.gz VSAKCEISARXCML-GFCCVEGCSA-N 1 0 298.814 2.198 20 10 CECDRO COc1ccc(N(C)C[C@H](O)C[N@H+](C)C2CC2)cc1Cl ZINC000289426173 524353183 /nfs/dbraw/zinc/35/31/83/524353183.db2.gz XAGHQNMEFSYWFM-CYBMUJFWSA-N 1 0 298.814 2.240 20 10 CECDRO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000280137711 524406151 /nfs/dbraw/zinc/40/61/51/524406151.db2.gz CTLVFXDTCDKNQV-CZUORRHYSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1cccc(C[N@H+]2CC[C@H](c3nccn3C)C2)c1O ZINC000367698782 524406421 /nfs/dbraw/zinc/40/64/21/524406421.db2.gz FYVWODZFXFPZIH-AWEZNQCLSA-N 1 0 271.364 2.424 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1 ZINC000290986792 524752074 /nfs/dbraw/zinc/75/20/74/524752074.db2.gz UQSJAAGHSHVJSR-HNNXBMFYSA-N 1 0 279.380 2.288 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](CCO)c2ccco2)c1 ZINC000187528968 524755438 /nfs/dbraw/zinc/75/54/38/524755438.db2.gz JNXVMRIKPNXQSY-CYBMUJFWSA-N 1 0 277.320 2.207 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@H](O)C2CC2)c1O ZINC000289439186 524868210 /nfs/dbraw/zinc/86/82/10/524868210.db2.gz LTABAQYHAOLIGI-LBPRGKRZSA-N 1 0 255.745 2.215 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1C ZINC000276857008 525318697 /nfs/dbraw/zinc/31/86/97/525318697.db2.gz JVRUHWVIAIQQKP-HNNXBMFYSA-N 1 0 288.391 2.206 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)cc1C ZINC000277808539 525320477 /nfs/dbraw/zinc/32/04/77/525320477.db2.gz YBHUHZBFPKGCLP-BFUOFWGJSA-N 1 0 281.421 2.352 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291365105 525345017 /nfs/dbraw/zinc/34/50/17/525345017.db2.gz YTNDXKRBFDHSMX-AWEZNQCLSA-N 1 0 257.337 2.344 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000280417838 525347246 /nfs/dbraw/zinc/34/72/46/525347246.db2.gz IIWSJRGJRJBASK-AWEZNQCLSA-N 1 0 291.391 2.471 20 10 CECDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1cc(F)ccc1O ZINC000128081290 525373516 /nfs/dbraw/zinc/37/35/16/525373516.db2.gz CDSVPEQGEFRAIB-JTQLQIEISA-N 1 0 263.316 2.158 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c(O)c1 ZINC000228089848 525932494 /nfs/dbraw/zinc/93/24/94/525932494.db2.gz BONFXMPBQNHEOW-STQMWFEESA-N 1 0 276.380 2.362 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c1O ZINC000290978639 525950549 /nfs/dbraw/zinc/95/05/49/525950549.db2.gz TWMFWNGOMQXXHS-CQSZACIVSA-N 1 0 287.363 2.353 20 10 CECDRO COc1cccc(C[NH2+]Cc2cnc(N(C)C)s2)c1O ZINC000289410591 526026511 /nfs/dbraw/zinc/02/65/11/526026511.db2.gz HSDVUBXRAOUONA-UHFFFAOYSA-N 1 0 293.392 2.213 20 10 CECDRO OC[C@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1C(F)(F)F ZINC000289685240 527621570 /nfs/dbraw/zinc/62/15/70/527621570.db2.gz OCCXOPSSMVIIRD-NEPJUHHUSA-N 1 0 289.297 2.385 20 10 CECDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000733327565 574664240 /nfs/dbraw/zinc/66/42/40/574664240.db2.gz VGQYSAOLFBRBTR-SNVBAGLBSA-N 1 0 298.770 2.366 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)C(C)(C)O)c(O)c1 ZINC000734841573 574731860 /nfs/dbraw/zinc/73/18/60/574731860.db2.gz UFHZSOZJEREIDK-JTQLQIEISA-N 1 0 253.342 2.040 20 10 CECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](N2CC=CC2)C1 ZINC000742162978 575007865 /nfs/dbraw/zinc/00/78/65/575007865.db2.gz LLCUTDDZPCOCQH-HNNXBMFYSA-N 1 0 295.386 2.387 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCSC2)c(O)c1 ZINC000742383070 575019181 /nfs/dbraw/zinc/01/91/81/575019181.db2.gz SMGLIQXAYMGZPB-LLVKDONJSA-N 1 0 253.367 2.386 20 10 CECDRO Cc1cc(NCCCSc2nccs2)nc(N)[nH+]1 ZINC000746461497 575156360 /nfs/dbraw/zinc/15/63/60/575156360.db2.gz ZAVMRANESWPSDW-UHFFFAOYSA-N 1 0 281.410 2.418 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](OC)C2)c(O)c1 ZINC000746756653 575164007 /nfs/dbraw/zinc/16/40/07/575164007.db2.gz VPULBTSBUXGATC-STQMWFEESA-N 1 0 265.353 2.448 20 10 CECDRO C[C@H](NC(=O)C1=CC(=O)CS1)C(C)(C)C[NH+](C)C ZINC000748328045 575183242 /nfs/dbraw/zinc/18/32/42/575183242.db2.gz XVMQAYYQHHSFPM-VIFPVBQESA-N 1 0 270.398 2.160 20 10 CECDRO C/C=C(\C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253188 623328852 /nfs/dbraw/zinc/32/88/52/623328852.db2.gz RKASMKXZTJJYEQ-ROCHPLJESA-N 1 0 289.423 2.438 20 10 CECDRO COc1ccc(C[N@H+](CCO)CC(C)(C)C)c(O)c1OC ZINC000891949824 624135866 /nfs/dbraw/zinc/13/58/66/624135866.db2.gz ZDNWRKIKBAQEDA-UHFFFAOYSA-N 1 0 297.395 2.250 20 10 CECDRO C[C@@H](NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1O ZINC000892090623 624310696 /nfs/dbraw/zinc/31/06/96/624310696.db2.gz WZAODFGDGQJJJL-UTUOFQBUSA-N 1 0 277.368 2.022 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1C ZINC000044686973 624466403 /nfs/dbraw/zinc/46/64/03/624466403.db2.gz DJEOMFAWAYRWFM-AWEZNQCLSA-N 1 0 260.381 2.330 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CC2(O)CCC2)c1O ZINC000169087778 627693440 /nfs/dbraw/zinc/69/34/40/627693440.db2.gz MXAYHWAMTKXMST-UHFFFAOYSA-N 1 0 271.744 2.059 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)cc1F ZINC000293845108 627857909 /nfs/dbraw/zinc/85/79/09/627857909.db2.gz BFGQPPBDXSDIFM-CYBMUJFWSA-N 1 0 280.387 2.486 20 10 CECDRO CCC1([NH3+])CCN(C(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000892935323 627861124 /nfs/dbraw/zinc/86/11/24/627861124.db2.gz QOINGSJRZSOZRK-GFCCVEGCSA-N 1 0 291.395 2.366 20 10 CECDRO COc1ccc(C[NH2+]CC(C)(C)C[C@H](C)O)c(O)c1OC ZINC000893018745 627947818 /nfs/dbraw/zinc/94/78/18/627947818.db2.gz HPNVAKVTSTZJMN-NSHDSACASA-N 1 0 297.395 2.296 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@H]1CCCO1 ZINC000893256421 628192382 /nfs/dbraw/zinc/19/23/82/628192382.db2.gz RQWIINUSCNZLHK-QWHCGFSZSA-N 1 0 295.379 2.457 20 10 CECDRO C[C@@H]([NH2+]CCCON)c1ccc(Br)cc1O ZINC000902422983 634646551 /nfs/dbraw/zinc/64/65/51/634646551.db2.gz IAJWTJVXHXIZTB-MRVPVSSYSA-N 1 0 289.173 2.086 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1ccco1 ZINC000840928741 628733993 /nfs/dbraw/zinc/73/39/93/628733993.db2.gz HTBKFHBLMGZPAN-HNNXBMFYSA-N 1 0 274.364 2.477 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938738 628756801 /nfs/dbraw/zinc/75/68/01/628756801.db2.gz GHYABJSPYGZSGF-DLBZAZTESA-N 1 0 292.423 2.345 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c(Cl)c1 ZINC000840940748 628775224 /nfs/dbraw/zinc/77/52/24/628775224.db2.gz FEZJHDDXNYHYJK-NEPJUHHUSA-N 1 0 299.798 2.089 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1[O-] ZINC000925781697 628808403 /nfs/dbraw/zinc/80/84/03/628808403.db2.gz JLSKVYDHOKCDSR-ZJUUUORDSA-N 1 0 288.313 2.427 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840950798 628848562 /nfs/dbraw/zinc/84/85/62/628848562.db2.gz ODCIXEABQKFUHF-IAQYHMDHSA-N 1 0 299.798 2.495 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@]2(C)CCCO2)c1O ZINC000094797046 628877341 /nfs/dbraw/zinc/87/73/41/628877341.db2.gz XYDBXSCTRQQQHX-OAHLLOKOSA-N 1 0 265.353 2.450 20 10 CECDRO CC[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H]1CCCO1 ZINC000098052450 628973682 /nfs/dbraw/zinc/97/36/82/628973682.db2.gz BWCSXGOSOVTPHZ-LBPRGKRZSA-N 1 0 279.336 2.122 20 10 CECDRO CC[C@]1([NH2+]Cc2ccc(OC)c(OC)c2O)CCOC1 ZINC000893997275 629076501 /nfs/dbraw/zinc/07/65/01/629076501.db2.gz TYGBGTOYXPHXPX-HNNXBMFYSA-N 1 0 281.352 2.068 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@](C)(O)C2)c1O ZINC000894045289 629100608 /nfs/dbraw/zinc/10/06/08/629100608.db2.gz YBRASMVQWWDMBU-OAHLLOKOSA-N 1 0 265.353 2.056 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)cc1F ZINC000924863184 629127346 /nfs/dbraw/zinc/12/73/46/629127346.db2.gz WFJUOMQJNSYVBJ-DZGCQCFKSA-N 1 0 277.387 2.076 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCOCC(F)(F)F)c1O ZINC000894163270 629177535 /nfs/dbraw/zinc/17/75/35/629177535.db2.gz PNEIOROXFAKMTE-UHFFFAOYSA-N 1 0 293.285 2.378 20 10 CECDRO CN(C)c1ccc(CNC(=O)C2(C[NH3+])CCCC2)cc1F ZINC000237081535 629187595 /nfs/dbraw/zinc/18/75/95/629187595.db2.gz VIQVLMGENWCJJP-UHFFFAOYSA-N 1 0 293.386 2.027 20 10 CECDRO COc1ccc(C[NH2+]Cc2cnn(C)c2C2CC2)c(O)c1 ZINC000894184722 629196810 /nfs/dbraw/zinc/19/68/10/629196810.db2.gz DWWYKKFWDIDHCB-UHFFFAOYSA-N 1 0 287.363 2.302 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](CCO)C(C)C)c1O ZINC000894300106 629319417 /nfs/dbraw/zinc/31/94/17/629319417.db2.gz SRJNCNFIEPWLPP-CYBMUJFWSA-N 1 0 267.369 2.206 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(C)cc1O ZINC000794798811 629322869 /nfs/dbraw/zinc/32/28/69/629322869.db2.gz YTKPCXNXOGTBKN-JSGCOSHPSA-N 1 0 265.353 2.157 20 10 CECDRO CCC[C@@]1([NH2+]Cc2ccc(OC)c(OC)c2O)CCOC1 ZINC000894418178 629449060 /nfs/dbraw/zinc/44/90/60/629449060.db2.gz HQRHIRZNTRQVFX-MRXNPFEDSA-N 1 0 295.379 2.458 20 10 CECDRO C[N@H+](Cc1cc(F)cc(F)c1[O-])CC1(O)CCC1 ZINC000894460943 629475392 /nfs/dbraw/zinc/47/53/92/629475392.db2.gz AHBLYTBHQWGBEK-UHFFFAOYSA-N 1 0 257.280 2.017 20 10 CECDRO O[C@@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000894464872 629475417 /nfs/dbraw/zinc/47/54/17/629475417.db2.gz HXTGULUJSNRYGW-ZDUSSCGKSA-N 1 0 289.297 2.415 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCn3ccnc3C2)c1O ZINC000894494314 629495903 /nfs/dbraw/zinc/49/59/03/629495903.db2.gz NMQPNUMPWLQHFB-CYBMUJFWSA-N 1 0 287.363 2.010 20 10 CECDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894687452 629589108 /nfs/dbraw/zinc/58/91/08/629589108.db2.gz HETRWZXJYWGTGB-CHWSQXEVSA-N 1 0 295.379 2.002 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@H](SC)C2)c(O)c1OC ZINC000894691863 629590483 /nfs/dbraw/zinc/59/04/83/629590483.db2.gz IQEUKXKVAIGXNS-NSHDSACASA-N 1 0 283.393 2.347 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1OCCO1)CCC2 ZINC000902622528 634749249 /nfs/dbraw/zinc/74/92/49/634749249.db2.gz NCXXYCMNZKIHAJ-OAHLLOKOSA-N 1 0 289.375 2.218 20 10 CECDRO COc1cc(C)cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1O ZINC000795674995 629651652 /nfs/dbraw/zinc/65/16/52/629651652.db2.gz NFKOMFUUEGUNLB-BETUJISGSA-N 1 0 265.353 2.318 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCn3ccnc32)c1O ZINC000894871482 629708200 /nfs/dbraw/zinc/70/82/00/629708200.db2.gz VTZYEXNLLSVFMZ-LBPRGKRZSA-N 1 0 273.336 2.140 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H](C)CCCO)c1O ZINC000894876127 629710142 /nfs/dbraw/zinc/71/01/42/629710142.db2.gz FJDOSACOSKZSAJ-LLVKDONJSA-N 1 0 267.369 2.207 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCOC2(C)C)c1O ZINC000894877538 629710925 /nfs/dbraw/zinc/71/09/25/629710925.db2.gz BLGQLZFYQKFJKH-ZDUSSCGKSA-N 1 0 265.353 2.366 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](C)CC(C)(C)O)c1O ZINC000894885736 629722581 /nfs/dbraw/zinc/72/25/81/629722581.db2.gz HUIZWEPBEODALO-NSHDSACASA-N 1 0 267.369 2.348 20 10 CECDRO COc1ccc(C[NH+]2CC(CC(F)F)C2)c(O)c1OC ZINC000895011141 629794308 /nfs/dbraw/zinc/79/43/08/629794308.db2.gz ATQFMRFMLHMIEM-UHFFFAOYSA-N 1 0 287.306 2.496 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCCC2(O)CCC2)c1O ZINC000895033454 629806696 /nfs/dbraw/zinc/80/66/96/629806696.db2.gz AKPWLRSGLSEPON-UHFFFAOYSA-N 1 0 279.380 2.494 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3CCC[C@@H]31)[C@@H](O)CO2 ZINC000902652182 634766620 /nfs/dbraw/zinc/76/66/20/634766620.db2.gz QIKCXIMGTCCERR-XEGUGMAKSA-N 1 0 275.348 2.192 20 10 CECDRO CC[N@@H+]1CCN(Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000796316770 629842541 /nfs/dbraw/zinc/84/25/41/629842541.db2.gz PETLCGFDHLCRHT-CQSZACIVSA-N 1 0 261.413 2.279 20 10 CECDRO CC[N@H+](Cc1cnc[nH]1)Cc1ccc(N(C)C)cc1 ZINC000796438693 629903603 /nfs/dbraw/zinc/90/36/03/629903603.db2.gz COZIAFFRBSQEKR-UHFFFAOYSA-N 1 0 258.369 2.498 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3COCC3(C)C)C2)cc1 ZINC000895228137 630042148 /nfs/dbraw/zinc/04/21/48/630042148.db2.gz ISJDKYUSOWLMLF-CJNGLKHVSA-N 1 0 290.407 2.289 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3COCC3(C)C)C2)cc1 ZINC000895228136 630042639 /nfs/dbraw/zinc/04/26/39/630042639.db2.gz ISJDKYUSOWLMLF-BBRMVZONSA-N 1 0 290.407 2.289 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H]2CC(C)=NO2)c(O)c1 ZINC000895312180 630100629 /nfs/dbraw/zinc/10/06/29/630100629.db2.gz VVHQKSDBMPJRJN-CYBMUJFWSA-N 1 0 264.325 2.045 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c1O ZINC000895345871 630127335 /nfs/dbraw/zinc/12/73/35/630127335.db2.gz WYTJJFAVKDWBDG-LRDDRELGSA-N 1 0 279.380 2.160 20 10 CECDRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H](C)c2ccccc2O)C1(F)F ZINC000895460072 630201823 /nfs/dbraw/zinc/20/18/23/630201823.db2.gz ITSWAJXVJGFKED-XRNSZHNASA-N 1 0 285.290 2.097 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c1O ZINC000895477318 630213027 /nfs/dbraw/zinc/21/30/27/630213027.db2.gz HSTJYKZJMRRZER-CYBMUJFWSA-N 1 0 279.380 2.302 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000895646666 630282638 /nfs/dbraw/zinc/28/26/38/630282638.db2.gz HSZSRCYAYVIJLF-GDBMZVCRSA-N 1 0 260.381 2.099 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c1O ZINC000895716369 630312471 /nfs/dbraw/zinc/31/24/71/630312471.db2.gz GOPVGIJXUCDQPP-HNNXBMFYSA-N 1 0 288.391 2.055 20 10 CECDRO COc1ccc(C[NH+]2CCC([C@H](C)O)CC2)c(O)c1OC ZINC000895815859 630360520 /nfs/dbraw/zinc/36/05/20/630360520.db2.gz MOBJYSLAUATPDL-NSHDSACASA-N 1 0 295.379 2.002 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1F ZINC000824726393 635485588 /nfs/dbraw/zinc/48/55/88/635485588.db2.gz LIMDSQJJNVSGTN-AWEZNQCLSA-N 1 0 288.313 2.094 20 10 CECDRO CC[C@@H](C)N(CC(=O)OC)Cc1cc(F)ccc1O ZINC000798954968 630955243 /nfs/dbraw/zinc/95/52/43/630955243.db2.gz IKLVTYGILXQNSZ-SNVBAGLBSA-N 1 0 269.316 2.305 20 10 CECDRO Cc1ccncc1N1CC[NH+](Cc2ccccc2O)CC1 ZINC000798961676 630956440 /nfs/dbraw/zinc/95/64/40/630956440.db2.gz BKXABOHYRQPOGB-UHFFFAOYSA-N 1 0 283.375 2.418 20 10 CECDRO Cc1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c(O)c1 ZINC000897229353 631003609 /nfs/dbraw/zinc/00/36/09/631003609.db2.gz UIWPPGRHRJCDIK-MRXNPFEDSA-N 1 0 290.407 2.044 20 10 CECDRO C[C@H]([NH2+]Cc1cccc(F)c1[O-])[C@H]1CCC[NH2+]C1 ZINC000841032710 631820599 /nfs/dbraw/zinc/82/05/99/631820599.db2.gz FNZLQYLFLNTKFS-QWRGUYRKSA-N 1 0 252.333 2.009 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2cnn(CCF)c2)c1O ZINC000897729212 631904719 /nfs/dbraw/zinc/90/47/19/631904719.db2.gz UXUCOKFOOJNXHD-UHFFFAOYSA-N 1 0 293.342 2.165 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897822349 631931218 /nfs/dbraw/zinc/93/12/18/631931218.db2.gz WQAPORFBWSPGJG-WVHQUNFXSA-N 1 0 265.740 2.311 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1C ZINC000897822877 631931603 /nfs/dbraw/zinc/93/16/03/631931603.db2.gz MLYQJRPCPZBJME-WALBABNVSA-N 1 0 259.349 2.269 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@]2(C)CCNC2=O)cc1C ZINC000897867521 631951922 /nfs/dbraw/zinc/95/19/22/631951922.db2.gz VRXUCPZAEYGQOO-INIZCTEOSA-N 1 0 276.380 2.152 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000808422327 631960671 /nfs/dbraw/zinc/96/06/71/631960671.db2.gz IZANQGHVIKDFNK-AWEZNQCLSA-N 1 0 287.359 2.094 20 10 CECDRO COC(=O)C[C@@H]([NH2+]Cc1cccc(OC)c1O)C(C)(C)C ZINC000897889253 631962795 /nfs/dbraw/zinc/96/27/95/631962795.db2.gz PKQJIVRBOIDDFF-CYBMUJFWSA-N 1 0 295.379 2.468 20 10 CECDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808709939 632004524 /nfs/dbraw/zinc/00/45/24/632004524.db2.gz JIMLKGZUGNTZQW-JQWIXIFHSA-N 1 0 287.787 2.402 20 10 CECDRO COc1cccc(C[NH2+]CCN2CCC(C)(C)C2)c1O ZINC000898035113 632030278 /nfs/dbraw/zinc/03/02/78/632030278.db2.gz LLSHEXPXPHZYHK-UHFFFAOYSA-N 1 0 278.396 2.222 20 10 CECDRO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@H](CF)C1 ZINC000840173586 632088264 /nfs/dbraw/zinc/08/82/64/632088264.db2.gz ZYICJEDEFROWJY-GFCCVEGCSA-N 1 0 276.311 2.111 20 10 CECDRO Oc1c(C[N@H+]2CC[C@@H](O)[C@@H](F)C2)ccc2ccccc21 ZINC000898189558 632104742 /nfs/dbraw/zinc/10/47/42/632104742.db2.gz VJNWXDXCKLMTJM-LSDHHAIUSA-N 1 0 275.323 2.450 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2([S@](C)=O)CC2)cc1Cl ZINC000825773742 635711341 /nfs/dbraw/zinc/71/13/41/635711341.db2.gz OUQIISHAXPLDNK-SFHVURJKSA-N 1 0 287.812 2.355 20 10 CECDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000809691954 632127819 /nfs/dbraw/zinc/12/78/19/632127819.db2.gz USBGSBHUGZHZGV-AWEZNQCLSA-N 1 0 292.379 2.493 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CSC[C@@H]2C)cc1OC ZINC000809702967 632129754 /nfs/dbraw/zinc/12/97/54/632129754.db2.gz KUKPTVQOXKQUQH-GXSJLCMTSA-N 1 0 283.393 2.251 20 10 CECDRO CCOc1ccc(CN(C)CC[NH+]2CCCC2)c(O)c1 ZINC000809738046 632135454 /nfs/dbraw/zinc/13/54/54/632135454.db2.gz QHQSZJSTIZAIBW-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)COC(C)C)c1O ZINC000809740296 632135500 /nfs/dbraw/zinc/13/55/00/632135500.db2.gz STLJHLZBAUYWSV-LLVKDONJSA-N 1 0 253.342 2.304 20 10 CECDRO C[NH+](C)CCN(Cc1cc(F)ccc1O)C[C@@H]1CCCO1 ZINC000809737616 632135715 /nfs/dbraw/zinc/13/57/15/632135715.db2.gz JTUDDZYAFZERQR-HNNXBMFYSA-N 1 0 296.386 2.074 20 10 CECDRO CCCC[N@H+](CCCO)Cc1cc(OC)ccc1O ZINC000809752597 632140959 /nfs/dbraw/zinc/14/09/59/632140959.db2.gz SRZSJRWYGIPYTJ-UHFFFAOYSA-N 1 0 267.369 2.385 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCc1cccnc1C ZINC000898256515 632150827 /nfs/dbraw/zinc/15/08/27/632150827.db2.gz CMJCUCLJVSFNGI-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO Cc1ccncc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841042714 632322933 /nfs/dbraw/zinc/32/29/33/632322933.db2.gz MQSNNCXPXVZFCI-QGZVFWFLSA-N 1 0 284.407 2.246 20 10 CECDRO CN(C)c1ccc(/C=C\CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000841043033 632331653 /nfs/dbraw/zinc/33/16/53/632331653.db2.gz MWHMHIRLUXVNDS-UYWPIULCSA-N 1 0 259.397 2.107 20 10 CECDRO Cc1c[nH]nc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000811490841 632390292 /nfs/dbraw/zinc/39/02/92/632390292.db2.gz XOSBHRATNIPLOQ-UHFFFAOYSA-N 1 0 288.395 2.295 20 10 CECDRO C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(F)ccc1O ZINC000927000805 632412119 /nfs/dbraw/zinc/41/21/19/632412119.db2.gz JWONKTXPVVPXKT-SNVBAGLBSA-N 1 0 281.327 2.335 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2ccnn2C)c(O)c1 ZINC000927128220 632481061 /nfs/dbraw/zinc/48/10/61/632481061.db2.gz GSGJOHZPEBNGBA-DOMZBBRYSA-N 1 0 289.379 2.127 20 10 CECDRO COC1CC([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000898449461 632498961 /nfs/dbraw/zinc/49/89/61/632498961.db2.gz GIGJEPROWFGOCF-BDVYOWHSSA-N 1 0 291.439 2.122 20 10 CECDRO CN(C)c1ccc([C@@H](CNCc2ccon2)[NH+](C)C)cc1 ZINC000898449572 632499107 /nfs/dbraw/zinc/49/91/07/632499107.db2.gz HSSLZTOLWOLXBJ-MRXNPFEDSA-N 1 0 288.395 2.133 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C2COCCOC2)c(O)c1C ZINC000813881487 632751637 /nfs/dbraw/zinc/75/16/37/632751637.db2.gz YRCMAZVMHFNDPA-GFCCVEGCSA-N 1 0 265.353 2.075 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@@H]2CCO)ccc1N(C)C ZINC000815095611 632957930 /nfs/dbraw/zinc/95/79/30/632957930.db2.gz FDMROOMTJKHSFJ-OAHLLOKOSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)ccc1N(C)C ZINC000815095165 632958091 /nfs/dbraw/zinc/95/80/91/632958091.db2.gz AMUJVLPQKGKLMP-BLLLJJGKSA-N 1 0 289.423 2.147 20 10 CECDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815102166 632959546 /nfs/dbraw/zinc/95/95/46/632959546.db2.gz MJSNFNOUTZPBOO-GJZGRUSLSA-N 1 0 289.423 2.065 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815102164 632959964 /nfs/dbraw/zinc/95/99/64/632959964.db2.gz MJSNFNOUTZPBOO-CABCVRRESA-N 1 0 289.423 2.065 20 10 CECDRO Cc1cc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)ccc1N(C)C ZINC000815105977 632960762 /nfs/dbraw/zinc/96/07/62/632960762.db2.gz NXYHKSQZKVVFST-PBHICJAKSA-N 1 0 292.423 2.033 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CCOCCO)C(C)C)cc1 ZINC000815112116 632961114 /nfs/dbraw/zinc/96/11/14/632961114.db2.gz LDJQKYPRMQBGKC-UHFFFAOYSA-N 1 0 294.439 2.362 20 10 CECDRO Cn1c2ccc(C[NH2+]Cc3ccccc3O)cc2oc1=O ZINC000816545215 633410442 /nfs/dbraw/zinc/41/04/42/633410442.db2.gz IHTWWNVVKWWHLR-UHFFFAOYSA-N 1 0 284.315 2.127 20 10 CECDRO Cc1ncc2n1C[C@H](C(=O)N(C)Cc1ccccc1O)CC2 ZINC000816889016 633482633 /nfs/dbraw/zinc/48/26/33/633482633.db2.gz JFDOFZKQRAFUHN-CQSZACIVSA-N 1 0 299.374 2.118 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)cc1 ZINC000817279792 633617401 /nfs/dbraw/zinc/61/74/01/633617401.db2.gz UTZGPBZAFRBBNT-MRXNPFEDSA-N 1 0 292.423 2.114 20 10 CECDRO CN1CCC[C@@H]1C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000817372911 633643585 /nfs/dbraw/zinc/64/35/85/633643585.db2.gz LLOAGNAZRIGWBI-MRXNPFEDSA-N 1 0 274.408 2.407 20 10 CECDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000817415548 633654535 /nfs/dbraw/zinc/65/45/35/633654535.db2.gz UXMPSTKBCWZIKS-RYUDHWBXSA-N 1 0 279.336 2.168 20 10 CECDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2cc(F)ccc2O)CC1=O ZINC000817589643 633702736 /nfs/dbraw/zinc/70/27/36/633702736.db2.gz OVQUBXKZLLCWAB-VXGBXAGGSA-N 1 0 294.370 2.440 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000817865083 633746595 /nfs/dbraw/zinc/74/65/95/633746595.db2.gz GIROQLOFHAGGMF-UHFFFAOYSA-N 1 0 266.772 2.374 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000817940361 633788671 /nfs/dbraw/zinc/78/86/71/633788671.db2.gz GEWXFPVDAFAPBK-OIISXLGYSA-N 1 0 291.439 2.157 20 10 CECDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cc2n(n1)CCC2 ZINC000817956737 633799969 /nfs/dbraw/zinc/79/99/69/633799969.db2.gz BNRAOWLIBHFUPW-GFCCVEGCSA-N 1 0 270.380 2.305 20 10 CECDRO CC[C@@H](NC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1O ZINC000817955639 633800169 /nfs/dbraw/zinc/80/01/69/633800169.db2.gz DIKCWLMDAPWCST-LLVKDONJSA-N 1 0 274.286 2.424 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817969203 633811166 /nfs/dbraw/zinc/81/11/66/633811166.db2.gz RQDGZVJSTWGYBE-ONGXEEELSA-N 1 0 270.323 2.463 20 10 CECDRO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1O ZINC000817980521 633822918 /nfs/dbraw/zinc/82/29/18/633822918.db2.gz LEQMJHPXDBQFOH-PELKAZGASA-N 1 0 274.286 2.179 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(F)cc1[O-] ZINC000817981274 633824898 /nfs/dbraw/zinc/82/48/98/633824898.db2.gz IIAJVUFNKRPNBL-NHCYSSNCSA-N 1 0 252.333 2.309 20 10 CECDRO C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981852 633825075 /nfs/dbraw/zinc/82/50/75/633825075.db2.gz VVYIAMJOJYMVKB-NEPJUHHUSA-N 1 0 293.367 2.483 20 10 CECDRO C[C@H](NC[C@@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1O ZINC000817981696 633825354 /nfs/dbraw/zinc/82/53/54/633825354.db2.gz MSAISSXMQUJVDJ-JQWIXIFHSA-N 1 0 284.787 2.075 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cn[nH]c3)C2)cc1 ZINC000818221823 633886511 /nfs/dbraw/zinc/88/65/11/633886511.db2.gz ULXKGSNMGKZLDI-CYBMUJFWSA-N 1 0 286.379 2.034 20 10 CECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cncnc3)C2)cc1 ZINC000818219035 633887179 /nfs/dbraw/zinc/88/71/79/633887179.db2.gz ARMUYFZRPZRDAX-AWEZNQCLSA-N 1 0 298.390 2.101 20 10 CECDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941250 634011920 /nfs/dbraw/zinc/01/19/20/634011920.db2.gz GOYSTOQNVWOBSE-INIZCTEOSA-N 1 0 280.412 2.018 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](n3ccnn3)C1)CCC2 ZINC000819896406 634277042 /nfs/dbraw/zinc/27/70/42/634277042.db2.gz GNEXXVGIRHHQLT-INIZCTEOSA-N 1 0 298.390 2.310 20 10 CECDRO COCC(C)(C)N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000822498287 634931244 /nfs/dbraw/zinc/93/12/44/634931244.db2.gz XKLUUAISMQXQGS-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCCOCC2)c(O)c1C ZINC000903228606 635027722 /nfs/dbraw/zinc/02/77/22/635027722.db2.gz SRYXTYKWEJEGAM-OAHLLOKOSA-N 1 0 292.423 2.382 20 10 CECDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000903299188 635046381 /nfs/dbraw/zinc/04/63/81/635046381.db2.gz HIGAPYSIQGGLOT-LEJCRSTHSA-N 1 0 295.354 2.473 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(N(C)C)cc1 ZINC000903321426 635055107 /nfs/dbraw/zinc/05/51/07/635055107.db2.gz FCRDFGGLGADUSA-CVEARBPZSA-N 1 0 261.413 2.497 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C2CC(CCO)C2)c1O ZINC000903333616 635065721 /nfs/dbraw/zinc/06/57/21/635065721.db2.gz RNSHWAHFLOCWHC-VOMCLLRMSA-N 1 0 265.353 2.212 20 10 CECDRO CC(=O)c1cc(F)cc(CN[C@H]2CC[NH2+]C23CCC3)c1O ZINC000903465155 635151594 /nfs/dbraw/zinc/15/15/94/635151594.db2.gz DXEURCOZZTXWTE-AWEZNQCLSA-N 1 0 292.354 2.108 20 10 CECDRO [NH3+]Cc1nc2c(s1)CCN(Cc1cccc(F)c1O)C2 ZINC000903942864 635376062 /nfs/dbraw/zinc/37/60/62/635376062.db2.gz WPSIPIWPQAWTIS-UHFFFAOYSA-N 1 0 293.367 2.005 20 10 CECDRO Cc1cc(O)c(CN[C@@H]2C[NH2+]C[C@H]2C)c(Cl)c1 ZINC000903964528 635398842 /nfs/dbraw/zinc/39/88/42/635398842.db2.gz KPZVVYSUCUFBTK-BXKDBHETSA-N 1 0 254.761 2.052 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)C(F)F ZINC000824636239 635466667 /nfs/dbraw/zinc/46/66/67/635466667.db2.gz MZZQQQWBWRXHRS-WCQYABFASA-N 1 0 271.307 2.116 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)c1 ZINC000824914672 635523654 /nfs/dbraw/zinc/52/36/54/635523654.db2.gz XASJBHLURRDEQB-CQSZACIVSA-N 1 0 297.420 2.100 20 10 CECDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000825040550 635546754 /nfs/dbraw/zinc/54/67/54/635546754.db2.gz NASDQEGXHLXABQ-OLZOCXBDSA-N 1 0 263.337 2.214 20 10 CECDRO CCN(CC)C(=O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825160525 635581996 /nfs/dbraw/zinc/58/19/96/635581996.db2.gz RXERJHXDEGJNGX-UHFFFAOYSA-N 1 0 284.787 2.312 20 10 CECDRO FC1(F)CC[NH2+]C[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000904354639 635586711 /nfs/dbraw/zinc/58/67/11/635586711.db2.gz IBNBLJSAYLQPQD-AWEZNQCLSA-N 1 0 282.334 2.098 20 10 CECDRO COCCN1CC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000825292017 635607611 /nfs/dbraw/zinc/60/76/11/635607611.db2.gz SJLYBZUJLUTSHN-CYBMUJFWSA-N 1 0 298.814 2.164 20 10 CECDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825384893 635628815 /nfs/dbraw/zinc/62/88/15/635628815.db2.gz LIBKUUGZPQZSGF-WCQYABFASA-N 1 0 296.798 2.358 20 10 CECDRO CN(C)c1ccc(/C=C/CN[C@H]2C[NH2+]CC2(C)C)cc1 ZINC000904461982 635634453 /nfs/dbraw/zinc/63/44/53/635634453.db2.gz NKSDAFLXLKZLLK-JFDDCEBESA-N 1 0 273.424 2.353 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[S@@](C)=O)cc1Cl ZINC000825498103 635646933 /nfs/dbraw/zinc/64/69/33/635646933.db2.gz VJEXKPKCKMDXFQ-HUTHGQBESA-N 1 0 275.801 2.211 20 10 CECDRO Cc1cc(O)c(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1Cl ZINC000825968823 635740221 /nfs/dbraw/zinc/74/02/21/635740221.db2.gz ZFHAINPOWDPWPP-RISCZKNCSA-N 1 0 280.799 2.490 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)C[NH2+]C)cc1 ZINC000826019450 635747211 /nfs/dbraw/zinc/74/72/11/635747211.db2.gz FPYDJSHGDTXZOA-CQSZACIVSA-N 1 0 291.439 2.347 20 10 CECDRO Cc1cc(O)c(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)cc1Cl ZINC000826096981 635760646 /nfs/dbraw/zinc/76/06/46/635760646.db2.gz KRSAEOYARMCVQM-FZMZJTMJSA-N 1 0 299.798 2.326 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])c2ncnn21 ZINC000826888583 635872531 /nfs/dbraw/zinc/87/25/31/635872531.db2.gz IWSBJGTVOUHZMX-GZMMTYOYSA-N 1 0 278.743 2.433 20 10 CECDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(F)ccc2O)C1 ZINC000826901932 635876179 /nfs/dbraw/zinc/87/61/79/635876179.db2.gz DWBNOXZEHFPZCC-NILFDRSVSA-N 1 0 297.370 2.187 20 10 CECDRO C[C@H](O)C1([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000827580489 636358584 /nfs/dbraw/zinc/35/85/84/636358584.db2.gz TVSOZJMSEUOXRW-QMMMGPOBSA-N 1 0 286.169 2.158 20 10 CECDRO CCn1nc(C)c(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000828656460 636650231 /nfs/dbraw/zinc/65/02/31/636650231.db2.gz YKNHLGHJHARGAZ-SNVBAGLBSA-N 1 0 260.341 2.163 20 10 CECDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876512022 650296510 /nfs/dbraw/zinc/29/65/10/650296510.db2.gz DLUQOEKPETXAIK-AWEZNQCLSA-N 1 0 276.380 2.049 20 10 CECDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000831933312 637464044 /nfs/dbraw/zinc/46/40/44/637464044.db2.gz CVPAWYVPFMUHFO-ZDUSSCGKSA-N 1 0 277.412 2.048 20 10 CECDRO COc1ccccc1N(C)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876599811 650353875 /nfs/dbraw/zinc/35/38/75/650353875.db2.gz BADNYBQYIBJBBU-LXKVQUBZSA-N 1 0 274.364 2.214 20 10 CECDRO Cc1ccc2c(c1)N(C(=O)/C=C/[C@H]1CCC[NH2+]C1)CC2 ZINC000876630881 650367576 /nfs/dbraw/zinc/36/75/76/650367576.db2.gz MXMWCDIHKAVJRK-HZRUHFOJSA-N 1 0 270.376 2.440 20 10 CECDRO C[C@@H]1CCCN1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834607294 637889116 /nfs/dbraw/zinc/88/91/16/637889116.db2.gz SOAICJUTTUJCBC-TZMCWYRMSA-N 1 0 260.381 2.453 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(O)c1 ZINC000876649796 650375804 /nfs/dbraw/zinc/37/58/04/650375804.db2.gz FWVIIGBTEFODEL-ZDUSSCGKSA-N 1 0 276.380 2.178 20 10 CECDRO CC(C)C(=O)NCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834694179 637921270 /nfs/dbraw/zinc/92/12/70/637921270.db2.gz VAUNJFHRVDKTJD-ZDUSSCGKSA-N 1 0 276.380 2.131 20 10 CECDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000834842965 637967677 /nfs/dbraw/zinc/96/76/77/637967677.db2.gz DVLSWJOGYAVBPJ-BBRMVZONSA-N 1 0 280.412 2.191 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccc(C)cc1O ZINC000834892551 637980279 /nfs/dbraw/zinc/98/02/79/637980279.db2.gz WAILKCSOHDAEPZ-OCCSQVGLSA-N 1 0 276.380 2.362 20 10 CECDRO CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834901176 637981099 /nfs/dbraw/zinc/98/10/99/637981099.db2.gz QRZIYUUBQPGPIZ-WCABBAIRSA-N 1 0 280.343 2.194 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834902844 637982421 /nfs/dbraw/zinc/98/24/21/637982421.db2.gz DJXLJJXOXZSQDA-RFVSLCSESA-N 1 0 295.354 2.473 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)NC ZINC000834911176 637986058 /nfs/dbraw/zinc/98/60/58/637986058.db2.gz HKYARGYONTXMQS-NHYWBVRUSA-N 1 0 290.407 2.446 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1cc(F)ccc1O ZINC000834911814 637986238 /nfs/dbraw/zinc/98/62/38/637986238.db2.gz BDONDGDUFBKQSI-ZKYQVNSYSA-N 1 0 292.354 2.335 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@H+](CCO)CC2CC2)cc1 ZINC000835024889 638029050 /nfs/dbraw/zinc/02/90/50/638029050.db2.gz ALUWVBYFZURPCX-ARJAWSKDSA-N 1 0 274.408 2.470 20 10 CECDRO CC(C)NC(=O)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034864 638032776 /nfs/dbraw/zinc/03/27/76/638032776.db2.gz BYLIGSIKTCEKTF-AATRIKPKSA-N 1 0 289.423 2.270 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C2(CO)CCC2)cc1 ZINC000835042569 638034981 /nfs/dbraw/zinc/03/49/81/638034981.db2.gz JFLVASMAEJZXLL-HWKANZROSA-N 1 0 260.381 2.270 20 10 CECDRO COC[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)OC ZINC000835046988 638037706 /nfs/dbraw/zinc/03/77/06/638037706.db2.gz BGJQTKKBNPKEOP-OGZRUICASA-N 1 0 278.396 2.017 20 10 CECDRO C[C@H](C[S@@](C)=O)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835047790 638037864 /nfs/dbraw/zinc/03/78/64/638037864.db2.gz JSARNEGJSVJADO-MQKIVCTLSA-N 1 0 280.437 2.122 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)CC(F)F)cc1 ZINC000835047983 638038641 /nfs/dbraw/zinc/03/86/41/638038641.db2.gz DLNQMZWRWNQIEZ-OOPCZODUSA-N 1 0 284.350 2.372 20 10 CECDRO CN(C)c1ccc(/C=C/CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000835055068 638040464 /nfs/dbraw/zinc/04/04/64/638040464.db2.gz QASYYQHQJDTEBG-HRMTXBTBSA-N 1 0 285.435 2.402 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c(O)c1 ZINC000835086399 638055747 /nfs/dbraw/zinc/05/57/47/638055747.db2.gz GZYPSBKLUHZFLQ-FZMZJTMJSA-N 1 0 265.353 2.448 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1OC ZINC000835086754 638057331 /nfs/dbraw/zinc/05/73/31/638057331.db2.gz JGRBVBMHUACGNX-PWSUYJOCSA-N 1 0 281.352 2.067 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c(O)c1 ZINC000876679060 650395562 /nfs/dbraw/zinc/39/55/62/650395562.db2.gz BDBMAIKSDPIDGI-CQSZACIVSA-N 1 0 277.364 2.286 20 10 CECDRO Cc1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)c(O)c1 ZINC000876804264 650439699 /nfs/dbraw/zinc/43/96/99/650439699.db2.gz NBTAJVWTHXDEIZ-UHFFFAOYSA-N 1 0 277.364 2.082 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c(O)c1 ZINC000876806924 650440585 /nfs/dbraw/zinc/44/05/85/650440585.db2.gz WHDYAVMKKBNUQC-CVEARBPZSA-N 1 0 277.364 2.080 20 10 CECDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C)cc3O)[C@H]2C1 ZINC000876815458 650443695 /nfs/dbraw/zinc/44/36/95/650443695.db2.gz YELUBYHIFIKIDG-HLLBOEOZSA-N 1 0 291.391 2.469 20 10 CECDRO CC[NH2+][C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000876874105 650468149 /nfs/dbraw/zinc/46/81/49/650468149.db2.gz ABQWJUVTQNNGKG-CQSZACIVSA-N 1 0 291.439 2.488 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](N3CC=CC3)C2)c1 ZINC000164406418 639373247 /nfs/dbraw/zinc/37/32/47/639373247.db2.gz FEKMEFAOKJPIIJ-MRXNPFEDSA-N 1 0 272.392 2.455 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCCNC2=O)c(O)c1 ZINC000840824925 639553996 /nfs/dbraw/zinc/55/39/96/639553996.db2.gz AWJXHLAPYPEYKF-QWHCGFSZSA-N 1 0 276.380 2.186 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000226583574 639554314 /nfs/dbraw/zinc/55/43/14/639554314.db2.gz PCNIGEMNVSCZPH-ZDUSSCGKSA-N 1 0 289.306 2.461 20 10 CECDRO COc1ccc(C[NH2+]Cc2cc(F)ccc2O)cn1 ZINC000226584073 639554890 /nfs/dbraw/zinc/55/48/90/639554890.db2.gz DRXUTXVTHCDZCT-UHFFFAOYSA-N 1 0 262.284 2.225 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CCO[C@@H](C)C2)c(Cl)c1 ZINC000840889556 639574248 /nfs/dbraw/zinc/57/42/48/639574248.db2.gz IJZPHCRUXXQXLA-LBPRGKRZSA-N 1 0 298.814 2.164 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC(=O)N(C)C2)c(Cl)c1 ZINC000840898171 639576502 /nfs/dbraw/zinc/57/65/02/639576502.db2.gz FWQSCTWMRSKVSB-SNVBAGLBSA-N 1 0 282.771 2.064 20 10 CECDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000168763741 639581291 /nfs/dbraw/zinc/58/12/91/639581291.db2.gz ZHUCKKAZQCNBAG-GTNSWQLSSA-N 1 0 255.383 2.120 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cnccn1 ZINC000840911993 639583339 /nfs/dbraw/zinc/58/33/39/639583339.db2.gz FMWSLBIDSJKSLE-UHFFFAOYSA-N 1 0 270.380 2.483 20 10 CECDRO CCNC(=O)C(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936532 639591050 /nfs/dbraw/zinc/59/10/50/639591050.db2.gz KGMLYHGFLKVUTB-UHFFFAOYSA-N 1 0 291.439 2.313 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C[C@@H](C)O ZINC000840936508 639591627 /nfs/dbraw/zinc/59/16/27/639591627.db2.gz KKXZDKFMQNWTMY-QWHCGFSZSA-N 1 0 250.386 2.310 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CC[S@](C)=O ZINC000840939046 639592095 /nfs/dbraw/zinc/59/20/95/639592095.db2.gz RPWBJCWPEKASRZ-DJJJIMSYSA-N 1 0 282.453 2.308 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000840937580 639592161 /nfs/dbraw/zinc/59/21/61/639592161.db2.gz KCSBMADISBFVNP-QGZVFWFLSA-N 1 0 288.391 2.343 20 10 CECDRO COC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)C[C@H](C)O1 ZINC000840940097 639594162 /nfs/dbraw/zinc/59/41/62/639594162.db2.gz UKABSFHGLYCHGL-YOEHRIQHSA-N 1 0 292.423 2.297 20 10 CECDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840941883 639595680 /nfs/dbraw/zinc/59/56/80/639595680.db2.gz PHRDEJIHAFHTIH-CYBMUJFWSA-N 1 0 277.412 2.017 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@H](C)O ZINC000840949675 639597830 /nfs/dbraw/zinc/59/78/30/639597830.db2.gz AMKWPRVMSCXZRS-SWLSCSKDSA-N 1 0 250.386 2.310 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000840953828 639598903 /nfs/dbraw/zinc/59/89/03/639598903.db2.gz BAYLISAWGXSTDZ-MRXNPFEDSA-N 1 0 277.364 2.402 20 10 CECDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840952530 639598989 /nfs/dbraw/zinc/59/89/89/639598989.db2.gz DDPFCNMFDRHTFF-UHFFFAOYSA-N 1 0 277.412 2.065 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)C2(OC)CCC2)c1O ZINC000840970131 639604433 /nfs/dbraw/zinc/60/44/33/639604433.db2.gz PZCZGSSNEAUXNF-LLVKDONJSA-N 1 0 265.353 2.448 20 10 CECDRO Oc1ccccc1C[NH2+][C@H]1CCCC(F)(F)[C@@H]1O ZINC000840971650 639606047 /nfs/dbraw/zinc/60/60/47/639606047.db2.gz RKEXWQZGRYFBIN-CMPLNLGQSA-N 1 0 257.280 2.031 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000060358327 639611930 /nfs/dbraw/zinc/61/19/30/639611930.db2.gz IOBXNZYMZQFRMR-HNNXBMFYSA-N 1 0 261.296 2.355 20 10 CECDRO CN(CC[NH2+]C(C)(C)C)c1ccc2c(c1)OCO2 ZINC000841011689 639617666 /nfs/dbraw/zinc/61/76/66/639617666.db2.gz NDGPOLDRDFNBNZ-UHFFFAOYSA-N 1 0 250.342 2.240 20 10 CECDRO Cc1cc(Br)cc(CN2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC000841024171 639620053 /nfs/dbraw/zinc/62/00/53/639620053.db2.gz JFLDMNQMILCIHJ-BXKDBHETSA-N 1 0 299.212 2.385 20 10 CECDRO CCCC[C@@H](CN)[NH2+]Cc1cc(OCC)ccc1O ZINC000841030233 639622645 /nfs/dbraw/zinc/62/26/45/639622645.db2.gz VCDZCCZEUKIAEU-ZDUSSCGKSA-N 1 0 266.385 2.398 20 10 CECDRO CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(Br)c1[O-] ZINC000841029948 639622654 /nfs/dbraw/zinc/62/26/54/639622654.db2.gz PMTNUJUIDLZPOW-LLVKDONJSA-N 1 0 287.201 2.228 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC[C@H]1CCCC[NH2+]1 ZINC000841034270 639626617 /nfs/dbraw/zinc/62/66/17/639626617.db2.gz WTPAMLGMABDECI-OAHLLOKOSA-N 1 0 261.413 2.293 20 10 CECDRO COc1cccc(C[C@@H](C)[NH2+]CCc2ccc(N)cc2)n1 ZINC000841036868 639627411 /nfs/dbraw/zinc/62/74/11/639627411.db2.gz WPUJMHBNJKPIRO-CYBMUJFWSA-N 1 0 285.391 2.436 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H](N)c2ccccc2)c1O ZINC000841038554 639628936 /nfs/dbraw/zinc/62/89/36/639628936.db2.gz XZEZPZFLJDTAFO-CQSZACIVSA-N 1 0 272.348 2.190 20 10 CECDRO C[NH2+]Cc1ccccc1NCc1cc2c(cc1O)OCO2 ZINC000841042984 639629813 /nfs/dbraw/zinc/62/98/13/639629813.db2.gz NFPPYEPUHGXMOF-UHFFFAOYSA-N 1 0 286.331 2.452 20 10 CECDRO COCC[NH2+]CCNCc1ccc(N2CCCCC2)cc1 ZINC000841046501 639631023 /nfs/dbraw/zinc/63/10/23/639631023.db2.gz CCTQBKPFDIWEOZ-UHFFFAOYSA-N 1 0 291.439 2.003 20 10 CECDRO CCOCc1cc(CNC[C@H]([NH3+])C2CC2)ccc1OC ZINC000841050095 639633497 /nfs/dbraw/zinc/63/34/97/639633497.db2.gz OQTBWLFWGXCCRC-HNNXBMFYSA-N 1 0 278.396 2.059 20 10 CECDRO Cc1nn(C)c(C[NH2+]Cc2ccccc2O)c1Cl ZINC000228415558 639633859 /nfs/dbraw/zinc/63/38/59/639633859.db2.gz FYLORVSONRRYEZ-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841064877 639641126 /nfs/dbraw/zinc/64/11/26/639641126.db2.gz VMOPNNGJTDHWOV-PELKAZGASA-N 1 0 272.751 2.272 20 10 CECDRO Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000841077072 639647195 /nfs/dbraw/zinc/64/71/95/639647195.db2.gz YDHXWYIZBWMPLZ-DTWKUNHWSA-N 1 0 287.201 2.288 20 10 CECDRO COC[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228669702 639651701 /nfs/dbraw/zinc/65/17/01/639651701.db2.gz WUAMIYRBQPJICL-QMMMGPOBSA-N 1 0 259.733 2.179 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C[NH3+] ZINC000841101125 639656301 /nfs/dbraw/zinc/65/63/01/639656301.db2.gz OJLIOPZBTSCBJZ-ZYHUDNBSSA-N 1 0 268.788 2.462 20 10 CECDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000228792788 639659396 /nfs/dbraw/zinc/65/93/96/639659396.db2.gz QIAVARXIVRJORH-GFCCVEGCSA-N 1 0 264.369 2.220 20 10 CECDRO CN(CC[NH3+])Cc1ccc(OCc2ccccc2)cc1O ZINC000841100923 639668203 /nfs/dbraw/zinc/66/82/03/639668203.db2.gz OLYFZMMBOTXUFU-UHFFFAOYSA-N 1 0 286.375 2.362 20 10 CECDRO COc1cccc(O)c1CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000841106753 639683650 /nfs/dbraw/zinc/68/36/50/639683650.db2.gz PCWOKDYAZGRWBY-CYBMUJFWSA-N 1 0 284.359 2.291 20 10 CECDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(N)cc1 ZINC000841297770 639732113 /nfs/dbraw/zinc/73/21/13/639732113.db2.gz UXLDIRFNZGTEKE-UHFFFAOYSA-N 1 0 278.400 2.464 20 10 CECDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(N)cc2)C1 ZINC000841298221 639732164 /nfs/dbraw/zinc/73/21/64/639732164.db2.gz OBFJJXMNGGFSOA-LBPRGKRZSA-N 1 0 276.384 2.122 20 10 CECDRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc(N)cc2)C1 ZINC000841298219 639732188 /nfs/dbraw/zinc/73/21/88/639732188.db2.gz OBFJJXMNGGFSOA-GFCCVEGCSA-N 1 0 276.384 2.122 20 10 CECDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(N)cc1 ZINC000841301681 639732570 /nfs/dbraw/zinc/73/25/70/639732570.db2.gz DBZUWFDAJYWSCQ-LBPRGKRZSA-N 1 0 276.384 2.265 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC[C@H]1CCOC1 ZINC000230164656 639744426 /nfs/dbraw/zinc/74/44/26/639744426.db2.gz KAHVTNIKFMTQIV-INIZCTEOSA-N 1 0 290.407 2.039 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c(O)c1 ZINC000876990784 650522544 /nfs/dbraw/zinc/52/25/44/650522544.db2.gz CQPYLVHJWCBQMF-LBPRGKRZSA-N 1 0 288.313 2.427 20 10 CECDRO COc1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000876995504 650524020 /nfs/dbraw/zinc/52/40/20/650524020.db2.gz DXKHOKCBQPHDBH-UHFFFAOYSA-N 1 0 276.361 2.376 20 10 CECDRO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000230680578 639777296 /nfs/dbraw/zinc/77/72/96/639777296.db2.gz VAUWTNKRVFYFNH-CABZTGNLSA-N 1 0 255.745 2.296 20 10 CECDRO CC(C)[C@@H](C)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801626 639784496 /nfs/dbraw/zinc/78/44/96/639784496.db2.gz MOVLBUQHPIGSPL-CYBMUJFWSA-N 1 0 289.423 2.059 20 10 CECDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(Cl)cc1O ZINC000841745738 639857075 /nfs/dbraw/zinc/85/70/75/639857075.db2.gz ACAPMDFTYQNGHX-NWDGAFQWSA-N 1 0 298.814 2.417 20 10 CECDRO CC[S@](=O)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841762982 639859806 /nfs/dbraw/zinc/85/98/06/639859806.db2.gz LFNJDBAZXOAWDZ-XLFHBGCDSA-N 1 0 275.801 2.465 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1 ZINC000841894794 639901694 /nfs/dbraw/zinc/90/16/94/639901694.db2.gz VIMZQLLDXAMAEV-CYBMUJFWSA-N 1 0 283.366 2.182 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[NH2+]C[C@@H]2C)c1O ZINC000842474801 640073728 /nfs/dbraw/zinc/07/37/28/640073728.db2.gz XELFTLBFINUNGR-UWVGGRQHSA-N 1 0 296.798 2.430 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]([NH3+])[C@@H]2C)c1O ZINC000842474739 640073917 /nfs/dbraw/zinc/07/39/17/640073917.db2.gz CQNVGJNOZOOTPQ-SDBXPKJASA-N 1 0 282.771 2.170 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000877044974 650545219 /nfs/dbraw/zinc/54/52/19/650545219.db2.gz MXTJDRUKESKTIK-KGLIPLIRSA-N 1 0 290.407 2.437 20 10 CECDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843044040 640249554 /nfs/dbraw/zinc/24/95/54/640249554.db2.gz ARXMFNYZVWCLFR-AWEZNQCLSA-N 1 0 279.403 2.323 20 10 CECDRO CN(C(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccc(N)cc1 ZINC000877077573 650562110 /nfs/dbraw/zinc/56/21/10/650562110.db2.gz NJBOECMKWTZYBO-UHFFFAOYSA-N 1 0 295.386 2.234 20 10 CECDRO C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C)[NH2+]1 ZINC000843049839 640253759 /nfs/dbraw/zinc/25/37/59/640253759.db2.gz WQRGFJHDQXPQPB-TXEJJXNPSA-N 1 0 265.376 2.074 20 10 CECDRO CCCN(Cc1cc(OCC)ccc1O)[C@H]1CC[NH2+]C1 ZINC000843051748 640254738 /nfs/dbraw/zinc/25/47/38/640254738.db2.gz DCOKBKBIUVVHCI-AWEZNQCLSA-N 1 0 278.396 2.365 20 10 CECDRO CCCN(Cc1ccc(N(C)C)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC000843053487 640256345 /nfs/dbraw/zinc/25/63/45/640256345.db2.gz YTZQNKZKRIVNMC-CQSZACIVSA-N 1 0 279.403 2.466 20 10 CECDRO CCN(CC)c1ccc(CN(C)CC[NH2+]C)cc1F ZINC000843057133 640260045 /nfs/dbraw/zinc/26/00/45/640260045.db2.gz CUGNWNYSYRGZMD-UHFFFAOYSA-N 1 0 267.392 2.323 20 10 CECDRO CN(C)c1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc1F ZINC000843117327 640287143 /nfs/dbraw/zinc/28/71/43/640287143.db2.gz OOHGVTYDVKCJJO-QGZVFWFLSA-N 1 0 291.414 2.467 20 10 CECDRO Oc1c(F)cccc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000843129002 640295514 /nfs/dbraw/zinc/29/55/14/640295514.db2.gz OEHMMUHQRXLMQQ-CYBMUJFWSA-N 1 0 264.344 2.296 20 10 CECDRO COc1ccc(O)c(CN2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000843128783 640295524 /nfs/dbraw/zinc/29/55/24/640295524.db2.gz LLCKOGPHBMXUDY-KRWDZBQOSA-N 1 0 298.386 2.459 20 10 CECDRO C[C@H](C[C@H](C)[NH3+])[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000843130003 640296535 /nfs/dbraw/zinc/29/65/35/640296535.db2.gz WNEMXVPWYQUVQB-BUHQSOCUSA-N 1 0 261.413 2.481 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2CCOC[C@H]1CCCO1 ZINC000843350706 640399297 /nfs/dbraw/zinc/39/92/97/640399297.db2.gz SVEIWKLAKBCRRC-MRXNPFEDSA-N 1 0 290.407 2.094 20 10 CECDRO CCOc1ccc(N(C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000843358915 640402843 /nfs/dbraw/zinc/40/28/43/640402843.db2.gz DJEPKBYSHJIXJR-UHFFFAOYSA-N 1 0 290.367 2.299 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c(O)c1 ZINC000877132821 650588171 /nfs/dbraw/zinc/58/81/71/650588171.db2.gz OKUNPWRRNWALRT-HOCLYGCPSA-N 1 0 277.364 2.128 20 10 CECDRO CCC[NH+]1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000915817194 640622636 /nfs/dbraw/zinc/62/26/36/640622636.db2.gz WHMGDPIZDYYTRF-UHFFFAOYSA-N 1 0 278.396 2.237 20 10 CECDRO CC(C)([NH3+])CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000844172709 640623499 /nfs/dbraw/zinc/62/34/99/640623499.db2.gz HICZNJBCHMUDIQ-UHFFFAOYSA-N 1 0 289.423 2.421 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccccc1O ZINC000844313056 640673680 /nfs/dbraw/zinc/67/36/80/640673680.db2.gz QKKDUXIMILIBRR-PWSUYJOCSA-N 1 0 276.336 2.026 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)C(C)C)cc1 ZINC000844402957 640709359 /nfs/dbraw/zinc/70/93/59/640709359.db2.gz YBSRLWQWDKPDRW-INIZCTEOSA-N 1 0 280.412 2.080 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(C)=O)C2)cc1C ZINC000994567164 640954328 /nfs/dbraw/zinc/95/43/28/640954328.db2.gz CBYRURCADOOZJI-HOTGVXAUSA-N 1 0 290.407 2.398 20 10 CECDRO CN(C)c1ccc(/C=C\CN(C)CC[NH+](C)C)cc1 ZINC000022037379 650623179 /nfs/dbraw/zinc/62/31/79/650623179.db2.gz VVEPAXKTRLFRQD-SREVYHEPSA-N 1 0 261.413 2.259 20 10 CECDRO C[C@H]([NH2+]CCCn1ccnn1)c1ccc(N(C)C)cc1 ZINC000126413207 650633370 /nfs/dbraw/zinc/63/33/70/650633370.db2.gz XQOILCXFCDUQOO-ZDUSSCGKSA-N 1 0 273.384 2.085 20 10 CECDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000846018576 641154251 /nfs/dbraw/zinc/15/42/51/641154251.db2.gz USKWQGZHMXBBCX-YPMHNXCESA-N 1 0 297.395 2.296 20 10 CECDRO COc1ccc(O)c(CN(C)CC[NH+]2CCCCC2)c1 ZINC000846115739 641189174 /nfs/dbraw/zinc/18/91/74/641189174.db2.gz ZREXGYOSLDMJSO-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO CC(=O)NCCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000920781275 641196114 /nfs/dbraw/zinc/19/61/14/641196114.db2.gz MFSHISZEXXTNDS-UHFFFAOYSA-N 1 0 289.423 2.243 20 10 CECDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846143861 641201012 /nfs/dbraw/zinc/20/10/12/641201012.db2.gz INJOGQQFMYYTSK-DMDPSCGWSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](CCO)C(C)C)c1O ZINC000846149428 641202757 /nfs/dbraw/zinc/20/27/57/641202757.db2.gz ZJDSCKZRVMVWIQ-DGCLKSJQSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1O ZINC000846148381 641202905 /nfs/dbraw/zinc/20/29/05/641202905.db2.gz YJZJBAACEJLVLH-NSHDSACASA-N 1 0 292.379 2.097 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCCO[C@H]2CCOC2)c1O ZINC000846149839 641203036 /nfs/dbraw/zinc/20/30/36/641203036.db2.gz MVNAICRLBMCVGJ-OLZOCXBDSA-N 1 0 295.379 2.247 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCc2cncn2C)c1O ZINC000846165072 641209111 /nfs/dbraw/zinc/20/91/11/641209111.db2.gz RZPVVSGPNXLEPW-LLVKDONJSA-N 1 0 275.352 2.028 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC2(N(C)C)CC2)c1O ZINC000846171238 641211652 /nfs/dbraw/zinc/21/16/52/641211652.db2.gz FHSHTYRQJXNQTD-LLVKDONJSA-N 1 0 264.369 2.146 20 10 CECDRO C[C@H]([NH2+][C@H](CO)CCF)c1ccc(Cl)cc1O ZINC000846209987 641223170 /nfs/dbraw/zinc/22/31/70/641223170.db2.gz VEPJRASIVAFROI-WPRPVWTQSA-N 1 0 261.724 2.417 20 10 CECDRO CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000877256233 650644301 /nfs/dbraw/zinc/64/43/01/650644301.db2.gz PYLOIQRDNCWWEL-DGCLKSJQSA-N 1 0 264.369 2.333 20 10 CECDRO O=C(NCCCSc1nccs1)[C@@H]1CCC[NH2+]CC1 ZINC000846670197 641384723 /nfs/dbraw/zinc/38/47/23/641384723.db2.gz ATBIWPPPLZAHFM-LLVKDONJSA-N 1 0 299.465 2.131 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1O ZINC000179905071 641393014 /nfs/dbraw/zinc/39/30/14/641393014.db2.gz DRODICFFAYYELT-CYBMUJFWSA-N 1 0 276.380 2.178 20 10 CECDRO CCOc1cccc(C[NH2+][C@@](C)(CC)CO)c1O ZINC000070940157 641711390 /nfs/dbraw/zinc/71/13/90/641711390.db2.gz GPVNVLVDBPOVQZ-AWEZNQCLSA-N 1 0 253.342 2.042 20 10 CECDRO Cc1cccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1O ZINC000183269206 641722640 /nfs/dbraw/zinc/72/26/40/641722640.db2.gz NHLCLSLLQFAKPI-UHFFFAOYSA-N 1 0 291.391 2.330 20 10 CECDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccccc1O ZINC000183462480 641743400 /nfs/dbraw/zinc/74/34/00/641743400.db2.gz ABLBDVIBRBUZEC-ZDUSSCGKSA-N 1 0 284.359 2.473 20 10 CECDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000848567460 642056580 /nfs/dbraw/zinc/05/65/80/642056580.db2.gz WBRJLUYMNSGIPZ-NSHDSACASA-N 1 0 286.331 2.237 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(F)ccc1O ZINC000848569087 642058117 /nfs/dbraw/zinc/05/81/17/642058117.db2.gz BUIQXLRKZMCVDE-JOYOIKCWSA-N 1 0 294.326 2.165 20 10 CECDRO CCc1cccc(C[NH+]2CCN(c3cccnn3)CC2)c1O ZINC000848885769 642170575 /nfs/dbraw/zinc/17/05/75/642170575.db2.gz RRCRNGQCOQMZDW-UHFFFAOYSA-N 1 0 298.390 2.067 20 10 CECDRO CCc1cccc(CNc2cnn(CC[NH+](C)C)c2)c1O ZINC000848894718 642175879 /nfs/dbraw/zinc/17/58/79/642175879.db2.gz HOVXPHMCMOQCNM-UHFFFAOYSA-N 1 0 288.395 2.325 20 10 CECDRO CCc1cccc(C[NH2+]C2CCC(C(=O)NC)CC2)c1O ZINC000848895190 642176158 /nfs/dbraw/zinc/17/61/58/642176158.db2.gz QMAXROQNIACVLH-UHFFFAOYSA-N 1 0 290.407 2.349 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)c1O ZINC000848904456 642181317 /nfs/dbraw/zinc/18/13/17/642181317.db2.gz UKNUPKZUYFBHRO-QWHCGFSZSA-N 1 0 262.397 2.479 20 10 CECDRO CCOCCOCC[N@H+](C)Cc1cccc(CC)c1O ZINC000848906216 642183090 /nfs/dbraw/zinc/18/30/90/642183090.db2.gz TYSLXDDSPGQZMI-UHFFFAOYSA-N 1 0 281.396 2.440 20 10 CECDRO CCc1cccc(C[NH2+]Cc2ncccc2O)c1O ZINC000848908492 642184973 /nfs/dbraw/zinc/18/49/73/642184973.db2.gz VYGIBZXJIPTJEH-UHFFFAOYSA-N 1 0 258.321 2.345 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930845 642200287 /nfs/dbraw/zinc/20/02/87/642200287.db2.gz XQWGJSMDGUXGFG-INIZCTEOSA-N 1 0 290.407 2.079 20 10 CECDRO CN1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921579995 642248351 /nfs/dbraw/zinc/24/83/51/642248351.db2.gz AVQWELBIDURYIP-HNNXBMFYSA-N 1 0 260.381 2.195 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](COC)OC)cc1 ZINC000227705082 642315456 /nfs/dbraw/zinc/31/54/56/642315456.db2.gz OVXWXRQDABMLOG-MRXNPFEDSA-N 1 0 280.412 2.284 20 10 CECDRO Cc1cccc(O)c1C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000877478677 650740625 /nfs/dbraw/zinc/74/06/25/650740625.db2.gz PNPIHKCWDWCECB-UHFFFAOYSA-N 1 0 290.407 2.439 20 10 CECDRO Nc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000849353099 642340741 /nfs/dbraw/zinc/34/07/41/642340741.db2.gz YQXRHZWKFOZGCU-AWEZNQCLSA-N 1 0 298.342 2.480 20 10 CECDRO CC[C@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@]2(CCOC2)O1 ZINC000877492568 650748709 /nfs/dbraw/zinc/74/87/09/650748709.db2.gz LZRMOCPCRMSNHI-DOTOQJQBSA-N 1 0 291.391 2.471 20 10 CECDRO COc1ccc(C[NH2+]Cc2cc(OC)cnc2F)c(O)c1 ZINC000877493358 650749415 /nfs/dbraw/zinc/74/94/15/650749415.db2.gz KSSNKVYHLGZYQL-UHFFFAOYSA-N 1 0 292.310 2.233 20 10 CECDRO COc1ccc(C[NH2+]C2CC(n3cccn3)C2)c(O)c1 ZINC000877494523 650750329 /nfs/dbraw/zinc/75/03/29/650750329.db2.gz YACTWSUATXDBKK-UHFFFAOYSA-N 1 0 273.336 2.091 20 10 CECDRO COc1cnc(F)c(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000877526496 650767400 /nfs/dbraw/zinc/76/74/00/650767400.db2.gz RVXMOJGNASSYER-UHFFFAOYSA-N 1 0 292.310 2.233 20 10 CECDRO Cc1ccc(CN(CC[NH+](C)C)C[C@H]2CCCO2)c(O)c1 ZINC000877524667 650766183 /nfs/dbraw/zinc/76/61/83/650766183.db2.gz BHSVJSINLLAIGT-MRXNPFEDSA-N 1 0 292.423 2.243 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@H](C)O[C@H]3C)C2)cc1 ZINC000850347859 642675653 /nfs/dbraw/zinc/67/56/53/642675653.db2.gz ZGTQNBKVUUQQHZ-AYMQEEERSA-N 1 0 290.407 2.429 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CO[C@@H](C)C3)C2)cc1 ZINC000850347726 642675742 /nfs/dbraw/zinc/67/57/42/642675742.db2.gz WTDSCJJIGNQLBW-IHRRRGAJSA-N 1 0 276.380 2.041 20 10 CECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(C)cc1O ZINC000877549160 650781898 /nfs/dbraw/zinc/78/18/98/650781898.db2.gz IAQLMNYTUIYRFI-CYBMUJFWSA-N 1 0 278.396 2.343 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)cc1 ZINC000850388273 642695503 /nfs/dbraw/zinc/69/55/03/642695503.db2.gz KNKLLKZOSCLUBM-GJZGRUSLSA-N 1 0 260.381 2.146 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c(O)c1 ZINC000877541708 650776981 /nfs/dbraw/zinc/77/69/81/650776981.db2.gz LEOMJCNFRPLDFP-LBPRGKRZSA-N 1 0 271.307 2.150 20 10 CECDRO CON(C)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000850478677 642725743 /nfs/dbraw/zinc/72/57/43/642725743.db2.gz WMLYFHSUNBHPCN-LBPRGKRZSA-N 1 0 252.358 2.153 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](OC)[C@@H]2CCOC2)c1 ZINC000850484217 642728899 /nfs/dbraw/zinc/72/88/99/642728899.db2.gz FIYNEEPBISZILD-OZVIIMIRSA-N 1 0 295.379 2.103 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCSC3)C2)cc1 ZINC000850489939 642730854 /nfs/dbraw/zinc/73/08/54/642730854.db2.gz YMQXUNBGUSJFGN-OLZOCXBDSA-N 1 0 278.421 2.369 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ncc[nH]3)C2)cc1 ZINC000850489738 642730995 /nfs/dbraw/zinc/73/09/95/642730995.db2.gz WNNZYBOHZUTBLZ-STQMWFEESA-N 1 0 286.379 2.348 20 10 CECDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000850530774 642743009 /nfs/dbraw/zinc/74/30/09/642743009.db2.gz CNPXLJGHJUHRLR-TZMCWYRMSA-N 1 0 296.386 2.084 20 10 CECDRO Cc1ccc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c(O)c1 ZINC000877591767 650804009 /nfs/dbraw/zinc/80/40/09/650804009.db2.gz IFTUUIFRAYRQII-AWEZNQCLSA-N 1 0 276.380 2.190 20 10 CECDRO C[C@@H]1[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)CCN1C ZINC000922554308 643123390 /nfs/dbraw/zinc/12/33/90/643123390.db2.gz INFFTKSXSINOMC-SCYVGKGRSA-N 1 0 273.424 2.448 20 10 CECDRO CCOc1cccc(C[NH2+]CCc2cc(C)n(C)n2)c1O ZINC000922689876 643205555 /nfs/dbraw/zinc/20/55/55/643205555.db2.gz OTCQMUFMEUTVHM-UHFFFAOYSA-N 1 0 289.379 2.165 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccccn2)c1 ZINC000851900103 643215420 /nfs/dbraw/zinc/21/54/20/643215420.db2.gz PDDGCEFXMAJQKC-MEDUHNTESA-N 1 0 288.347 2.180 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000922875385 643303077 /nfs/dbraw/zinc/30/30/77/643303077.db2.gz IPOGSCBFICWPSA-LYILDCAHSA-N 1 0 293.363 2.173 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)[C@@H]2CCCC[C@H]2O)cc1 ZINC000852210776 643354495 /nfs/dbraw/zinc/35/44/95/643354495.db2.gz AOEMVXIYNSPAOJ-IAGOWNOFSA-N 1 0 292.423 2.367 20 10 CECDRO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)ccc1N(C)C ZINC000852558040 643472219 /nfs/dbraw/zinc/47/22/19/643472219.db2.gz FBWMDUBUGQGQPQ-CZUORRHYSA-N 1 0 262.397 2.406 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000852665061 643503924 /nfs/dbraw/zinc/50/39/24/643503924.db2.gz FYJZIIXQANOKOM-HUUCEWRRSA-N 1 0 260.381 2.221 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CC[C@H](O)C(F)F)c1O ZINC000877677249 650845482 /nfs/dbraw/zinc/84/54/82/650845482.db2.gz QMCUDQVAFOGBPL-JTQLQIEISA-N 1 0 279.714 2.460 20 10 CECDRO CC1(C)CC[NH2+][C@H]1C(=O)NCCCSc1nccs1 ZINC000852840169 643572714 /nfs/dbraw/zinc/57/27/14/643572714.db2.gz KVCXSNXZPJNCIV-JTQLQIEISA-N 1 0 299.465 2.130 20 10 CECDRO C[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)c2ccc(F)cc2O1 ZINC000852846530 643575504 /nfs/dbraw/zinc/57/55/04/643575504.db2.gz DHRUVRRTUFXFLZ-LLVKDONJSA-N 1 0 290.338 2.249 20 10 CECDRO COCC1(C2CC2)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000877686796 650850758 /nfs/dbraw/zinc/85/07/58/650850758.db2.gz YBWTWBVIQOLUQT-UHFFFAOYSA-N 1 0 265.328 2.390 20 10 CECDRO Cc1cc(CN2CCCC[C@H]2C[NH3+])ccc1N(C)C ZINC000923282732 643638433 /nfs/dbraw/zinc/63/84/33/643638433.db2.gz XEOUMITXXOEPGJ-HNNXBMFYSA-N 1 0 261.413 2.374 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1O ZINC000923493814 643737447 /nfs/dbraw/zinc/73/74/47/643737447.db2.gz VYSCOHVESPECLZ-LLVKDONJSA-N 1 0 296.798 2.419 20 10 CECDRO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000853542941 643809069 /nfs/dbraw/zinc/80/90/69/643809069.db2.gz WHGQYDZVXJIUTF-LLVKDONJSA-N 1 0 291.347 2.264 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000853584613 643823814 /nfs/dbraw/zinc/82/38/14/643823814.db2.gz AFZKRDUWTDMXBO-ZFWWWQNUSA-N 1 0 261.365 2.477 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c(O)c1 ZINC000877752725 650895996 /nfs/dbraw/zinc/89/59/96/650895996.db2.gz JDARHPRBHSDFIG-CYBMUJFWSA-N 1 0 279.380 2.384 20 10 CECDRO [O-]c1cc(F)c(Cl)cc1CN1CCSC[C@@H]1CO ZINC000877780391 650908249 /nfs/dbraw/zinc/90/82/49/650908249.db2.gz OWZDNYCFRKLOIU-VIFPVBQESA-N 1 0 291.775 2.094 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)CC2CC2)c1 ZINC000754835045 644438588 /nfs/dbraw/zinc/43/85/88/644438588.db2.gz RQZHNHVOQWIECA-CYBMUJFWSA-N 1 0 265.353 2.042 20 10 CECDRO COCCOCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756462682 644651542 /nfs/dbraw/zinc/65/15/42/644651542.db2.gz YPCKEVUJOZSPIO-ZYHUDNBSSA-N 1 0 283.343 2.332 20 10 CECDRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000756526104 644658789 /nfs/dbraw/zinc/65/87/89/644658789.db2.gz FMDMJGYQXFWVBZ-PWSUYJOCSA-N 1 0 296.342 2.413 20 10 CECDRO COC[C@H](CCO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756595697 644673815 /nfs/dbraw/zinc/67/38/15/644673815.db2.gz YCRGDGJLMNGJND-SCVCMEIPSA-N 1 0 283.343 2.067 20 10 CECDRO COC1CCN(CC[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000756643961 644678004 /nfs/dbraw/zinc/67/80/04/644678004.db2.gz WNZHOBXHVSCWOQ-AWEZNQCLSA-N 1 0 292.423 2.462 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c(O)c1C ZINC000756656605 644680011 /nfs/dbraw/zinc/68/00/11/644680011.db2.gz YXMAVWCPERAWDW-WMLDXEAASA-N 1 0 293.407 2.449 20 10 CECDRO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1cc(F)ccc1O ZINC000756705492 644684009 /nfs/dbraw/zinc/68/40/09/644684009.db2.gz KJFOYWRPGSOOPR-JTQLQIEISA-N 1 0 280.343 2.241 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c(O)c1C ZINC000756770178 644689993 /nfs/dbraw/zinc/68/99/93/644689993.db2.gz VHQWWBUATGECTC-CMPLNLGQSA-N 1 0 285.409 2.093 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(C)ncn2)c1 ZINC000756991779 644715992 /nfs/dbraw/zinc/71/59/92/644715992.db2.gz WIHWYCNHZYZUAT-UHFFFAOYSA-N 1 0 273.336 2.179 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@@H](OC)C3)CC2)cc1 ZINC000877912601 650945039 /nfs/dbraw/zinc/94/50/39/650945039.db2.gz ZSOGRPBMLGRUFY-KDYLLFBJSA-N 1 0 290.407 2.242 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Cl)ccc1O ZINC000840825309 644771205 /nfs/dbraw/zinc/77/12/05/644771205.db2.gz DURUSNQEEXTTFL-NXEZZACHSA-N 1 0 282.771 2.222 20 10 CECDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000843057989 644782344 /nfs/dbraw/zinc/78/23/44/644782344.db2.gz JXRWQLWKRINZOM-AWEZNQCLSA-N 1 0 279.403 2.466 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CCCOCCO)c2c1c(F)ccc2O ZINC000757637684 644828575 /nfs/dbraw/zinc/82/85/75/644828575.db2.gz MHYVOTFSJPCASI-PWSUYJOCSA-N 1 0 283.343 2.068 20 10 CECDRO COC(=O)c1coc(C[NH2+]Cc2cc(OC)ccc2O)c1 ZINC000757848614 644850482 /nfs/dbraw/zinc/85/04/82/644850482.db2.gz WFTCHSZZCRXBGK-UHFFFAOYSA-N 1 0 291.303 2.070 20 10 CECDRO COc1ccc(C[NH2+]C2COC(C)(C)OC2)cc1C ZINC000758010612 644870977 /nfs/dbraw/zinc/87/09/77/644870977.db2.gz QLLYBAAXZAOHBU-UHFFFAOYSA-N 1 0 265.353 2.245 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000759174524 644992613 /nfs/dbraw/zinc/99/26/13/644992613.db2.gz VKBROIZFLQIAMQ-GOEBONIOSA-N 1 0 279.380 2.293 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCOC[C@@H]2OCC)c1 ZINC000759173899 644992676 /nfs/dbraw/zinc/99/26/76/644992676.db2.gz QOOBGJYEYIMGNQ-HOCLYGCPSA-N 1 0 295.379 2.075 20 10 CECDRO Oc1ccccc1C[N@H+](CCF)C[C@H]1CCCO1 ZINC000759347915 645015211 /nfs/dbraw/zinc/01/52/11/645015211.db2.gz OFGIFWUKUVEEES-CYBMUJFWSA-N 1 0 253.317 2.343 20 10 CECDRO CN(C)c1cc(F)c(CNCCC[NH+]2CCC2)cc1F ZINC000858154479 645077588 /nfs/dbraw/zinc/07/75/88/645077588.db2.gz JHAABXHOFXMJSU-UHFFFAOYSA-N 1 0 283.366 2.216 20 10 CECDRO C[C@@H](CNCc1cc(F)c(N(C)C)cc1F)C[NH+](C)C ZINC000858167294 645079219 /nfs/dbraw/zinc/07/92/19/645079219.db2.gz PQRDTCNKHTYTGE-NSHDSACASA-N 1 0 285.382 2.318 20 10 CECDRO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C1(CO)CC1 ZINC000858188618 645083640 /nfs/dbraw/zinc/08/36/40/645083640.db2.gz HIDKEYBZVPOYSI-JTQLQIEISA-N 1 0 284.350 2.281 20 10 CECDRO CC(C)CC[C@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000858241711 645096996 /nfs/dbraw/zinc/09/69/96/645096996.db2.gz YQZCPOSHLKQSLT-GFCCVEGCSA-N 1 0 281.352 2.008 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000858473493 645173612 /nfs/dbraw/zinc/17/36/12/645173612.db2.gz OTSCKBDMEWODIG-CABZTGNLSA-N 1 0 279.311 2.444 20 10 CECDRO CCN(CC[C@@H]1CCS(=O)(=O)C1)c1ccc(OC)cc1 ZINC000760850883 645201028 /nfs/dbraw/zinc/20/10/28/645201028.db2.gz IDDJSYSNNYSLQZ-CYBMUJFWSA-N 1 0 297.420 2.346 20 10 CECDRO CON(C)C(=O)[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000858580193 645208936 /nfs/dbraw/zinc/20/89/36/645208936.db2.gz XNBBJGTUWVJCSB-QXEWZRGKSA-N 1 0 296.342 2.078 20 10 CECDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000858580622 645209447 /nfs/dbraw/zinc/20/94/47/645209447.db2.gz SIOSNKRTAGTQDF-NEPJUHHUSA-N 1 0 280.368 2.068 20 10 CECDRO C[C@H]([NH2+]CCN(C)CC(F)F)c1cc(F)ccc1O ZINC000858596120 645216224 /nfs/dbraw/zinc/21/62/24/645216224.db2.gz BFGJXIWUSCDETP-VIFPVBQESA-N 1 0 276.302 2.379 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)CC(N)=O)cc1 ZINC000763399509 645542090 /nfs/dbraw/zinc/54/20/90/645542090.db2.gz WZJPSMYGUYLZDE-VXGBXAGGSA-N 1 0 263.385 2.057 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCOCC1CCC1 ZINC000764979836 645717830 /nfs/dbraw/zinc/71/78/30/645717830.db2.gz JTUSODFSRZHMEB-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)C2)cc1 ZINC000765767794 645806395 /nfs/dbraw/zinc/80/63/95/645806395.db2.gz HMUVLMCPKXGCTG-UKRRQHHQSA-N 1 0 261.413 2.497 20 10 CECDRO CCOc1ccc(C[NH+]2CCC(C(=O)OC)CC2)c(O)c1 ZINC000768153381 646090648 /nfs/dbraw/zinc/09/06/48/646090648.db2.gz VPXATSFPSKOUEI-UHFFFAOYSA-N 1 0 293.363 2.176 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@H](N3CC=CC3)C2)c(O)cc1C ZINC000768465789 646128139 /nfs/dbraw/zinc/12/81/39/646128139.db2.gz LHVJNGUBGBMEJG-HNNXBMFYSA-N 1 0 288.391 2.155 20 10 CECDRO CC[N@@H+](Cc1c(O)cccc1OC)C[C@H]1CCOC1 ZINC000768521736 646134868 /nfs/dbraw/zinc/13/48/68/646134868.db2.gz UOCGOTUXHIBRPZ-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000769710558 646305142 /nfs/dbraw/zinc/30/51/42/646305142.db2.gz NCEJNOWWMOYAQI-GHMZBOCLSA-N 1 0 251.326 2.058 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CCOCC ZINC000769728416 646307967 /nfs/dbraw/zinc/30/79/67/646307967.db2.gz LLWSKVFTLGGIQS-HNNXBMFYSA-N 1 0 281.396 2.392 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000770665219 646423679 /nfs/dbraw/zinc/42/36/79/646423679.db2.gz GPNVYXHDSFHJDD-UHFFFAOYSA-N 1 0 277.364 2.437 20 10 CECDRO OC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccsc1 ZINC000770669554 646424928 /nfs/dbraw/zinc/42/49/28/646424928.db2.gz YXHFMEOMDKEGQY-GFCCVEGCSA-N 1 0 267.325 2.416 20 10 CECDRO CN1C[C@H]([N@H+](C)Cc2cc(Cl)ccc2O)CCC1=O ZINC000862428644 646456747 /nfs/dbraw/zinc/45/67/47/646456747.db2.gz UEJDHTMFBDJCGN-GFCCVEGCSA-N 1 0 282.771 2.098 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000862467321 646472048 /nfs/dbraw/zinc/47/20/48/646472048.db2.gz NTSRDYWAQYVIQF-OAHLLOKOSA-N 1 0 288.391 2.412 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773021984 646696922 /nfs/dbraw/zinc/69/69/22/646696922.db2.gz AGWQRLIAAAIVKG-KBPBESRZSA-N 1 0 280.412 2.455 20 10 CECDRO COC[C@]1(C)C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000863340813 646708156 /nfs/dbraw/zinc/70/81/56/646708156.db2.gz NLIRGHWXMKCHFM-KRWDZBQOSA-N 1 0 291.391 2.118 20 10 CECDRO COc1cc(Cl)cc(CN[C@@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863485235 646740191 /nfs/dbraw/zinc/74/01/91/646740191.db2.gz WZAIUOALSRAKTD-JOYOIKCWSA-N 1 0 284.787 2.284 20 10 CECDRO CCOCc1cc(CN[C@H]2CC[C@@H](C)[NH2+]C2)ccc1OC ZINC000863485019 646740447 /nfs/dbraw/zinc/74/04/47/646740447.db2.gz RMAWKRICZOOXKB-CJNGLKHVSA-N 1 0 292.423 2.462 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)CC[C@H](C)O)cc1 ZINC000773752667 646772574 /nfs/dbraw/zinc/77/25/74/646772574.db2.gz IRWQOEZXZBYQER-ZDUSSCGKSA-N 1 0 250.386 2.345 20 10 CECDRO CCN(CC[NH3+])Cc1cc(Br)cc(C)c1O ZINC000863644340 646776491 /nfs/dbraw/zinc/77/64/91/646776491.db2.gz SENULSKGWPIATF-UHFFFAOYSA-N 1 0 287.201 2.244 20 10 CECDRO COCC[C@@]1([NH2+]Cc2cc(Cl)ccc2O)CCOC1 ZINC000775035258 646917927 /nfs/dbraw/zinc/91/79/27/646917927.db2.gz YEYRZCALURZOOR-CQSZACIVSA-N 1 0 285.771 2.331 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccco2)c1 ZINC000775369703 646946253 /nfs/dbraw/zinc/94/62/53/646946253.db2.gz FTCZWILPZSCTBU-HZMBPMFUSA-N 1 0 277.320 2.378 20 10 CECDRO CC[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccccc1O ZINC000775503360 646960621 /nfs/dbraw/zinc/96/06/21/646960621.db2.gz GHPDAMJJNXIOBG-HIFRSBDPSA-N 1 0 279.380 2.486 20 10 CECDRO Cc1cccc(CNc2cnn(CC[NH+](C)C)c2)c1O ZINC000776171816 647030746 /nfs/dbraw/zinc/03/07/46/647030746.db2.gz VMHLEAYRZKDLRX-UHFFFAOYSA-N 1 0 274.368 2.071 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCNc2cccc(C)n2)c1 ZINC000777483167 647140346 /nfs/dbraw/zinc/14/03/46/647140346.db2.gz HNVQDRGZCCQKRP-UHFFFAOYSA-N 1 0 287.363 2.306 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c(O)c1 ZINC000778193266 647207756 /nfs/dbraw/zinc/20/77/56/647207756.db2.gz VIBCJJKGGSQXTB-ZIAGYGMSSA-N 1 0 265.353 2.040 20 10 CECDRO Oc1ccccc1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000778999461 647280484 /nfs/dbraw/zinc/28/04/84/647280484.db2.gz MQYJTHMWXLBFNL-UHFFFAOYSA-N 1 0 289.404 2.167 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000779008343 647281230 /nfs/dbraw/zinc/28/12/30/647281230.db2.gz SWAQWQMIDGQODO-CYBMUJFWSA-N 1 0 281.327 2.259 20 10 CECDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000780891978 647477792 /nfs/dbraw/zinc/47/77/92/647477792.db2.gz FQTKSJZEJRFALO-GXTWGEPZSA-N 1 0 280.387 2.485 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)C[C@H](C)O)c1 ZINC000865871766 647514618 /nfs/dbraw/zinc/51/46/18/647514618.db2.gz GGWJAIMALUIGHQ-AAEUAGOBSA-N 1 0 267.369 2.430 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)C[C@H](C)O)c1 ZINC000865871768 647514844 /nfs/dbraw/zinc/51/48/44/647514844.db2.gz GGWJAIMALUIGHQ-WCQYABFASA-N 1 0 267.369 2.430 20 10 CECDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000783518688 647723803 /nfs/dbraw/zinc/72/38/03/647723803.db2.gz NQWFHYGNYOOFQQ-NEPJUHHUSA-N 1 0 253.342 2.094 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CN(c3ccncn3)C2)c(O)c1 ZINC000866496668 647805778 /nfs/dbraw/zinc/80/57/78/647805778.db2.gz UUFWZWLBPMJVSO-CYBMUJFWSA-N 1 0 298.390 2.338 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C2CN(c3ccncn3)C2)c(O)c1 ZINC000866496669 647806099 /nfs/dbraw/zinc/80/60/99/647806099.db2.gz UUFWZWLBPMJVSO-ZDUSSCGKSA-N 1 0 298.390 2.338 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000784664385 647872846 /nfs/dbraw/zinc/87/28/46/647872846.db2.gz QMNGNGIEWUOHFQ-GFCCVEGCSA-N 1 0 265.353 2.307 20 10 CECDRO CC(C)([NH2+]Cc1cc2c(cc1O)OCO2)C1CCOCC1 ZINC000785607738 647940318 /nfs/dbraw/zinc/94/03/18/647940318.db2.gz RNTAXLMNAOLFOY-UHFFFAOYSA-N 1 0 293.363 2.416 20 10 CECDRO COCC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@H]1CCOC1 ZINC000787335037 648100703 /nfs/dbraw/zinc/10/07/03/648100703.db2.gz PIUHDXDZYLSMNP-AWEZNQCLSA-N 1 0 296.386 2.129 20 10 CECDRO C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1O ZINC000868367155 648109552 /nfs/dbraw/zinc/10/95/52/648109552.db2.gz GBXPGMGWTPCFKF-OLZOCXBDSA-N 1 0 291.395 2.094 20 10 CECDRO CCn1cccc(C[NH2+][C@H](C)c2ccccc2O)c1=O ZINC000788605824 648207182 /nfs/dbraw/zinc/20/71/82/648207182.db2.gz QJVWSOFIQVJIAI-GFCCVEGCSA-N 1 0 272.348 2.425 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCO[C@H]2C)c2c1c(F)ccc2O ZINC000788623261 648209211 /nfs/dbraw/zinc/20/92/11/648209211.db2.gz KNKPCVNYBWEDPA-IZXSPOQTSA-N 1 0 295.354 2.209 20 10 CECDRO CC[C@]1([NH2+]Cc2cc(F)cc(C(C)=O)c2O)CCOC1 ZINC000792419784 648645290 /nfs/dbraw/zinc/64/52/90/648645290.db2.gz SXSOFXITGPATLE-HNNXBMFYSA-N 1 0 281.327 2.393 20 10 CECDRO C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1O ZINC000870988369 648971087 /nfs/dbraw/zinc/97/10/87/648971087.db2.gz NUCWETRAOAJEPM-QJPTWQEYSA-N 1 0 262.353 2.087 20 10 CECDRO C[C@H](NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1ccccc1O ZINC000870988481 648971112 /nfs/dbraw/zinc/97/11/12/648971112.db2.gz QPFKKVBWPMONMD-RBOXIYTFSA-N 1 0 276.380 2.477 20 10 CECDRO C[C@H](C(=O)N1Cc2cccc(O)c2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000871200767 649030021 /nfs/dbraw/zinc/03/00/21/649030021.db2.gz IPBRDOJBFMDAEM-FRRDWIJNSA-N 1 0 288.391 2.496 20 10 CECDRO CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000872251468 649328832 /nfs/dbraw/zinc/32/88/32/649328832.db2.gz JHWHRVZIVVHOQC-LBPRGKRZSA-N 1 0 266.360 2.399 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3CSC[C@@H]3C1)OCO2 ZINC000872723532 649469057 /nfs/dbraw/zinc/46/90/57/649469057.db2.gz ZOWNJQTVXGAXIB-JQWIXIFHSA-N 1 0 293.388 2.306 20 10 CECDRO COc1cc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c(O)cc1C ZINC000872723232 649469457 /nfs/dbraw/zinc/46/94/57/649469457.db2.gz KCLPHBZQTGZKDN-DZGCQCFKSA-N 1 0 290.407 2.235 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H](C)CS(C)(=O)=O)cc1C ZINC000873049685 649544391 /nfs/dbraw/zinc/54/43/91/649544391.db2.gz KEPLIRKXDCYGBV-CYBMUJFWSA-N 1 0 299.436 2.307 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H](C)CC(=O)NC)cc1C ZINC000873129294 649565264 /nfs/dbraw/zinc/56/52/64/649565264.db2.gz KIYHZAKLNVBJLF-ZDUSSCGKSA-N 1 0 278.396 2.398 20 10 CECDRO Oc1ccccc1C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000873158102 649574335 /nfs/dbraw/zinc/57/43/35/649574335.db2.gz QNRWAEUPJNIFIJ-UHFFFAOYSA-N 1 0 285.269 2.397 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C[NH3+] ZINC000873215364 649593374 /nfs/dbraw/zinc/59/33/74/649593374.db2.gz DFUSTYCPANSJFN-WCBMZHEXSA-N 1 0 272.751 2.211 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000020208533 649739811 /nfs/dbraw/zinc/73/98/11/649739811.db2.gz IEBBKHYDBSJTRF-YOEHRIQHSA-N 1 0 290.407 2.180 20 10 CECDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1ccccc1O ZINC000879648796 651335398 /nfs/dbraw/zinc/33/53/98/651335398.db2.gz DXMVAFCWEGMLPF-GFCCVEGCSA-N 1 0 288.347 2.294 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)CC[C@@H]2CO)c1O ZINC000880439047 651441405 /nfs/dbraw/zinc/44/14/05/651441405.db2.gz JMSLUGAPKFDETH-NOZJJQNGSA-N 1 0 281.327 2.079 20 10 CECDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000130487241 652270669 /nfs/dbraw/zinc/27/06/69/652270669.db2.gz IMAOZKZQMDTPFO-MRXNPFEDSA-N 1 0 289.423 2.276 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC000883375200 652448387 /nfs/dbraw/zinc/44/83/87/652448387.db2.gz FSMMJOHIHPXRQK-JHJVBQTASA-N 1 0 297.420 2.235 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C1CCC3(COC3)CC1)OCO2 ZINC000883391214 652453097 /nfs/dbraw/zinc/45/30/97/652453097.db2.gz GHIYAUUKSBTXPM-UHFFFAOYSA-N 1 0 291.347 2.170 20 10 CECDRO CCCN(Cc1ccccc1O)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883420468 652464145 /nfs/dbraw/zinc/46/41/45/652464145.db2.gz LRVYICLGVVUOAQ-KBPBESRZSA-N 1 0 266.360 2.304 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884113139 652713814 /nfs/dbraw/zinc/71/38/14/652713814.db2.gz HGUGHTSCSXVRSD-CQSZACIVSA-N 1 0 276.380 2.258 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCCC[C@@H]2CO)c1O ZINC000133823682 652727973 /nfs/dbraw/zinc/72/79/73/652727973.db2.gz FOGWDSRFKUGJMM-CQSZACIVSA-N 1 0 295.354 2.471 20 10 CECDRO COc1ccc(CNC(=O)C(C)(C)[C@@H]([NH3+])C(C)C)c(O)c1 ZINC000884334919 652799328 /nfs/dbraw/zinc/79/93/28/652799328.db2.gz FSIFVCNTDDGLTC-AWEZNQCLSA-N 1 0 294.395 2.027 20 10 CECDRO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccccc1O ZINC000135719163 652980137 /nfs/dbraw/zinc/98/01/37/652980137.db2.gz WRTKWCFLMSXMFB-CYBMUJFWSA-N 1 0 276.380 2.445 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C)c1 ZINC000135727350 652983892 /nfs/dbraw/zinc/98/38/92/652983892.db2.gz SPCHUVYPIXIMSN-RYUDHWBXSA-N 1 0 294.395 2.212 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000229588080 806075942 /nfs/dbraw/zinc/07/59/42/806075942.db2.gz UAVYJSXNLYXWRT-NWDGAFQWSA-N 1 0 276.380 2.317 20 10 CECDRO CCN(CC)c1ccc(CN2C[C@@H](F)[C@@H]([NH3+])C2)cc1 ZINC001204820588 806307677 /nfs/dbraw/zinc/30/76/77/806307677.db2.gz SUYHWNCFCIZLNV-CABCVRRESA-N 1 0 265.376 2.014 20 10 CECDRO CC[NH+]1C[C@H]2CN(Cc3cc(F)c(F)cc3O)C[C@@H]2C1 ZINC001142530379 806622836 /nfs/dbraw/zinc/62/28/36/806622836.db2.gz GONIMOMYURXIER-RYUDHWBXSA-N 1 0 282.334 2.054 20 10 CECDRO CC(C)[N@@H+]1CCN(Cc2cc(F)ccc2O)C[C@@H]1C ZINC001140056130 802547345 /nfs/dbraw/zinc/54/73/45/802547345.db2.gz IYVCJXCPYWGLPF-LBPRGKRZSA-N 1 0 266.360 2.446 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CC(=O)N(C)C2)c1 ZINC000723546091 802884164 /nfs/dbraw/zinc/88/41/64/802884164.db2.gz MUIZNEKOEHCHOE-OLZOCXBDSA-N 1 0 276.380 2.220 20 10 CECDRO CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461652 802934739 /nfs/dbraw/zinc/93/47/39/802934739.db2.gz PCJLJTWOALTKEL-UHFFFAOYSA-N 1 0 282.771 2.100 20 10 CECDRO C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccccc1O ZINC000723884772 802964281 /nfs/dbraw/zinc/96/42/81/802964281.db2.gz ZIMASVKCJSXGKU-LLVKDONJSA-N 1 0 285.409 2.114 20 10 CECDRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000693518306 803018836 /nfs/dbraw/zinc/01/88/36/803018836.db2.gz YUIPZUQGVKLPJY-NSHDSACASA-N 1 0 283.393 2.010 20 10 CECDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000724869888 803328259 /nfs/dbraw/zinc/32/82/59/803328259.db2.gz BIAFWDXGJQACBO-APHBMKBZSA-N 1 0 278.396 2.207 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000725001683 803388957 /nfs/dbraw/zinc/38/89/57/803388957.db2.gz OUQISVGXZDSAIP-ATVVMRJVSA-N 1 0 253.729 2.049 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000693905646 803405312 /nfs/dbraw/zinc/40/53/12/803405312.db2.gz IULXFCDWKBCYSG-CYBMUJFWSA-N 1 0 278.396 2.363 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@H](CO)CC[C@H]2C)c(OC)c1 ZINC001141031722 803669185 /nfs/dbraw/zinc/66/91/85/803669185.db2.gz ITFIEMNSPIJUTD-VXGBXAGGSA-N 1 0 295.379 2.002 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CCC[C@]1(C)O ZINC001141156688 803758314 /nfs/dbraw/zinc/75/83/14/803758314.db2.gz QTOKHTWGYLOMMY-ABAIWWIYSA-N 1 0 265.353 2.081 20 10 CECDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1=O ZINC000722360805 804382981 /nfs/dbraw/zinc/38/29/81/804382981.db2.gz BNXCRQFYVJAEPA-GXTWGEPZSA-N 1 0 276.380 2.362 20 10 CECDRO CON(C)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC001118426936 815014214 /nfs/dbraw/zinc/01/42/14/815014214.db2.gz FZPRPDQBAXRAFQ-RYUDHWBXSA-N 1 0 264.369 2.332 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(C(N)=O)CC2)c(O)c1 ZINC000037152060 815018112 /nfs/dbraw/zinc/01/81/12/815018112.db2.gz SKYXESCGZSTQGP-PNESKVBLSA-N 1 0 276.380 2.395 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCCN(C)C1=O ZINC001118797355 815045885 /nfs/dbraw/zinc/04/58/85/815045885.db2.gz HMSVCAJKRZYEDZ-JHJVBQTASA-N 1 0 288.391 2.459 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(O)cc1O ZINC001232262623 807238955 /nfs/dbraw/zinc/23/89/55/807238955.db2.gz MCBQHHUTPKZZFB-JTQLQIEISA-N 1 0 299.754 2.279 20 10 CECDRO CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037280107 815134660 /nfs/dbraw/zinc/13/46/60/815134660.db2.gz MHRTTXYDYOHOHE-STQMWFEESA-N 1 0 277.412 2.318 20 10 CECDRO CC(C)(C)c1ccc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236293640 808051189 /nfs/dbraw/zinc/05/11/89/808051189.db2.gz OPIXDSDYJJVAPG-JSGCOSHPSA-N 1 0 260.381 2.093 20 10 CECDRO COc1cc(C)c(C[N@@H+]2CCC[C@H](CO)CC2)c(O)c1 ZINC001236809021 808169502 /nfs/dbraw/zinc/16/95/02/808169502.db2.gz SPHVELVUICZUNF-ZDUSSCGKSA-N 1 0 279.380 2.304 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)C1(O)CCCC1)c1ccc(N(C)C)cc1 ZINC001120354847 815215335 /nfs/dbraw/zinc/21/53/35/815215335.db2.gz IQVIDGKSICKENS-CJNGLKHVSA-N 1 0 292.423 2.069 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]2SC)c1 ZINC000701991718 809483123 /nfs/dbraw/zinc/48/31/23/809483123.db2.gz FBPCCXLDXIKABV-YPMHNXCESA-N 1 0 253.367 2.384 20 10 CECDRO CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703308114 809641347 /nfs/dbraw/zinc/64/13/47/809641347.db2.gz MTQAIBNSUHSCDC-SNVBAGLBSA-N 1 0 270.323 2.102 20 10 CECDRO C[N@@H+]1C[C@@H]2CN(Cc3ccc(F)c(F)c3[O-])C[C@]2(C)C1 ZINC000703489664 809652477 /nfs/dbraw/zinc/65/24/77/809652477.db2.gz HGIVWJFMDBAQOX-ABAIWWIYSA-N 1 0 282.334 2.054 20 10 CECDRO C[C@]12C[NH2+]C[C@H]1CN(Cc1cc(Cl)ccc1O)C2 ZINC000703557029 809663178 /nfs/dbraw/zinc/66/31/78/809663178.db2.gz AHLYCXBZGKVNEH-SMDDNHRTSA-N 1 0 266.772 2.087 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCN3C(=O)CC[C@H]3C2)cc1C ZINC001172163248 815325251 /nfs/dbraw/zinc/32/52/51/815325251.db2.gz UUXMCEQMAPRGAY-GJZGRUSLSA-N 1 0 288.391 2.247 20 10 CECDRO COCCC[N@H+](CCOC)Cc1cc(F)cc(F)c1[O-] ZINC000708382730 809928027 /nfs/dbraw/zinc/92/80/27/809928027.db2.gz HGEVNQWYGIPHOW-UHFFFAOYSA-N 1 0 289.322 2.155 20 10 CECDRO C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C)c1ccccc1O ZINC001122365317 815405168 /nfs/dbraw/zinc/40/51/68/815405168.db2.gz NAFHYKFROSFPIO-QWHCGFSZSA-N 1 0 291.395 2.237 20 10 CECDRO [NH3+]CCN(c1cccnc1)c1cc(-c2cccnc2)ncn1 ZINC001168835027 811263120 /nfs/dbraw/zinc/26/31/20/811263120.db2.gz XTFWUTMMSYVIIH-UHFFFAOYSA-N 1 0 292.346 2.030 20 10 CECDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001168974908 811323641 /nfs/dbraw/zinc/32/36/41/811323641.db2.gz STJZIADQUVVCRA-TZMCWYRMSA-N 1 0 276.336 2.157 20 10 CECDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3cccc(O)c3C2)C1 ZINC001169039856 811348329 /nfs/dbraw/zinc/34/83/29/811348329.db2.gz UWXVJXIZSLICMZ-WCQYABFASA-N 1 0 276.336 2.196 20 10 CECDRO CC(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001169586972 811592097 /nfs/dbraw/zinc/59/20/97/811592097.db2.gz NUDVMAGEKSSYKK-CQSZACIVSA-N 1 0 276.380 2.110 20 10 CECDRO C[C@@H]1C[N@H+](Cc2c([O-])ccc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206026830 811834374 /nfs/dbraw/zinc/83/43/74/811834374.db2.gz UCCYUGVTZYMXPT-GHMZBOCLSA-N 1 0 284.350 2.477 20 10 CECDRO CCc1cccc(C[NH2+]CCO[C@@H]2CC2(F)F)c1O ZINC000691491963 811957687 /nfs/dbraw/zinc/95/76/87/811957687.db2.gz GDMBQSZKZZNYIF-GFCCVEGCSA-N 1 0 271.307 2.468 20 10 CECDRO C[C@@H]1CC[C@@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001170106376 812155256 /nfs/dbraw/zinc/15/52/56/812155256.db2.gz YRBAGQPBZPRTPS-MWLCHTKSSA-N 1 0 251.326 2.124 20 10 CECDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1CCOC1 ZINC000386477729 813167665 /nfs/dbraw/zinc/16/76/65/813167665.db2.gz VQGJTULNEVUCME-GFCCVEGCSA-N 1 0 251.326 2.012 20 10 CECDRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccccc1O ZINC000387604827 813216384 /nfs/dbraw/zinc/21/63/84/813216384.db2.gz WYUFSJSCPFWUFR-GFCCVEGCSA-N 1 0 264.369 2.033 20 10 CECDRO CCCN1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000389440438 813250686 /nfs/dbraw/zinc/25/06/86/813250686.db2.gz NPULIUGJFKHBSJ-CYBMUJFWSA-N 1 0 252.333 2.105 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2COC(C)(C)C2)c1O ZINC000396560426 813573393 /nfs/dbraw/zinc/57/33/93/813573393.db2.gz WGLLALQNLLEBIQ-NSHDSACASA-N 1 0 251.326 2.058 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CC[C@H](C)O2)c1O ZINC000398174439 813660659 /nfs/dbraw/zinc/66/06/59/813660659.db2.gz VJEYAUXHGJBKFV-CMPLNLGQSA-N 1 0 251.326 2.058 20 10 CECDRO COc1cc(C[NH2+]Cc2cccc(OC)c2O)sn1 ZINC000399019095 813691692 /nfs/dbraw/zinc/69/16/92/813691692.db2.gz DAWFRNCXPOACQV-UHFFFAOYSA-N 1 0 280.349 2.156 20 10 CECDRO COc1cccc(C[N@H+](C)Cc2c(O)cc(O)cc2O)c1 ZINC001144509045 814096128 /nfs/dbraw/zinc/09/61/28/814096128.db2.gz IZUPUTKJHKHPPO-UHFFFAOYSA-N 1 0 289.331 2.444 20 10 CECDRO Oc1cccc2c1C[C@@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000758545120 814237903 /nfs/dbraw/zinc/23/79/03/814237903.db2.gz MEKDCRHKZLKHAH-LBPRGKRZSA-N 1 0 299.326 2.084 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)cc1)C(=O)NC ZINC000697835691 814652718 /nfs/dbraw/zinc/65/27/18/814652718.db2.gz GKXZNWHULBJIRI-OAHLLOKOSA-N 1 0 277.412 2.147 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2ccc[nH]c2=O)c1O ZINC000714983963 814920069 /nfs/dbraw/zinc/92/00/69/814920069.db2.gz PTBOFYYXAJIZCX-UHFFFAOYSA-N 1 0 274.320 2.181 20 10 CECDRO CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001173261757 815642250 /nfs/dbraw/zinc/64/22/50/815642250.db2.gz VDWATKALLSPZJA-IXPVHAAZSA-N 1 0 265.353 2.300 20 10 CECDRO Cc1c(C[N@@H+]2CCC[C@H](O)C2)c2ccccc2n1C ZINC001138252447 815754752 /nfs/dbraw/zinc/75/47/52/815754752.db2.gz HQNFQUXTTVWTMK-ZDUSSCGKSA-N 1 0 258.365 2.443 20 10 CECDRO CN1CCCc2cc(C[NH+]3CCN(CCF)CC3)ccc21 ZINC001138356616 815775242 /nfs/dbraw/zinc/77/52/42/815775242.db2.gz SDMIQOCLTDKZLU-UHFFFAOYSA-N 1 0 291.414 2.156 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)ccc21 ZINC001138355369 815775456 /nfs/dbraw/zinc/77/54/56/815775456.db2.gz PDMRNTPCSCPGHJ-IYBDPMFKSA-N 1 0 272.392 2.147 20 10 CECDRO CN1CC2(C1)CC[N@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001138359245 815777355 /nfs/dbraw/zinc/77/73/55/815777355.db2.gz OLOHRRCWJSFOBE-UHFFFAOYSA-N 1 0 285.435 2.207 20 10 CECDRO CC(C)(C)c1cccc(CN2CC(C)(C[NH3+])C2)c1O ZINC001206723936 815786522 /nfs/dbraw/zinc/78/65/22/815786522.db2.gz XPKWGISLBMWACS-UHFFFAOYSA-N 1 0 262.397 2.470 20 10 CECDRO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC001139673242 816076494 /nfs/dbraw/zinc/07/64/94/816076494.db2.gz FECYUWFYQYBUGK-CQSZACIVSA-N 1 0 289.423 2.114 20 10 CECDRO Cc1cc(CN2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ccc1N(C)C ZINC001139673818 816078540 /nfs/dbraw/zinc/07/85/40/816078540.db2.gz KVYOSQZWRNOQTI-SJLPKXTDSA-N 1 0 287.451 2.445 20 10 CECDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055138 816179319 /nfs/dbraw/zinc/17/93/19/816179319.db2.gz LDIBWPCDAMSINB-CMPLNLGQSA-N 1 0 281.327 2.162 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)c1O ZINC001140178198 816204125 /nfs/dbraw/zinc/20/41/25/816204125.db2.gz CEUFTLQPMUZYLK-CQSZACIVSA-N 1 0 291.391 2.125 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c1O ZINC001140184094 816205241 /nfs/dbraw/zinc/20/52/41/816205241.db2.gz MQMHCESZQBTZPD-UMVBOHGHSA-N 1 0 261.365 2.476 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCN(C(=O)C(C)C)CC2)c1O ZINC001140184984 816207774 /nfs/dbraw/zinc/20/77/74/816207774.db2.gz NDIJZHCBYGLNOE-UHFFFAOYSA-N 1 0 290.407 2.309 20 10 CECDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2c(O)cccc2Cl)C1 ZINC001140341919 816237483 /nfs/dbraw/zinc/23/74/83/816237483.db2.gz KYELBGYVKWHOJR-LBPRGKRZSA-N 1 0 296.798 2.488 20 10 CECDRO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001140338068 816237765 /nfs/dbraw/zinc/23/77/65/816237765.db2.gz TVQIJORBLITGFS-DGCLKSJQSA-N 1 0 273.735 2.340 20 10 CECDRO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC001140461664 816259941 /nfs/dbraw/zinc/25/99/41/816259941.db2.gz PTARGIFDYCKGDV-GFCCVEGCSA-N 1 0 255.745 2.392 20 10 CECDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464324 816260197 /nfs/dbraw/zinc/26/01/97/816260197.db2.gz LIXSPZBSYCJDNM-CYBMUJFWSA-N 1 0 282.771 2.098 20 10 CECDRO COCc1noc2c1C[N@H+](Cc1cc(C)ccc1O)CC2 ZINC001140621406 816306479 /nfs/dbraw/zinc/30/64/79/816306479.db2.gz IVMITGOXSBPWJT-UHFFFAOYSA-N 1 0 288.347 2.393 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)c1O ZINC001140742014 816338144 /nfs/dbraw/zinc/33/81/44/816338144.db2.gz HFLOAAZCDCDYLE-JTQLQIEISA-N 1 0 263.337 2.207 20 10 CECDRO CC[C@H]1COCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140749195 816343780 /nfs/dbraw/zinc/34/37/80/816343780.db2.gz QZHJNZWNLYPDDW-LBPRGKRZSA-N 1 0 251.326 2.017 20 10 CECDRO CCN(CC)c1ccc(C[NH+]2CC(COC)C2)c(O)c1 ZINC001140850197 816383639 /nfs/dbraw/zinc/38/36/39/816383639.db2.gz GIAMUBHZBKGNDZ-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO CCC(=O)NC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140949675 816422572 /nfs/dbraw/zinc/42/25/72/816422572.db2.gz HUWYGJOVSUNOCC-UHFFFAOYSA-N 1 0 276.380 2.191 20 10 CECDRO Cc1nc(C2CC[NH+](Cc3cc(O)ccc3O)CC2)no1 ZINC001141159237 816489714 /nfs/dbraw/zinc/48/97/14/816489714.db2.gz DHFPBVWHXRGVMI-UHFFFAOYSA-N 1 0 289.335 2.169 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)CC[C@]1(C)O ZINC001141155984 816490860 /nfs/dbraw/zinc/49/08/60/816490860.db2.gz CVPKSXUIBNDULS-ABAIWWIYSA-N 1 0 265.353 2.081 20 10 CECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H]1CCCNC1=O ZINC001178913478 816813853 /nfs/dbraw/zinc/81/38/53/816813853.db2.gz GLEMOKBCNGYROO-CYBMUJFWSA-N 1 0 285.391 2.103 20 10 CECDRO CCC1(O)CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000079464997 343980935 /nfs/dbraw/zinc/98/09/35/343980935.db2.gz NLVPFKMXOHHOJV-UHFFFAOYSA-N 1 0 295.354 2.471 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CCn2cccn2)cc1F ZINC000125269434 365669931 /nfs/dbraw/zinc/66/99/31/365669931.db2.gz WIZXMORDMKXBRQ-UHFFFAOYSA-N 1 0 276.359 2.220 20 10 CECDRO CCOc1cccc(C[NH2+]CCC(=O)N[C@H](C)CC)c1O ZINC000038013683 361981796 /nfs/dbraw/zinc/98/17/96/361981796.db2.gz NCMWZISPAKNLFC-GFCCVEGCSA-N 1 0 294.395 2.185 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000038013800 361981942 /nfs/dbraw/zinc/98/19/42/361981942.db2.gz WBNQLECLHJQAIT-NWDGAFQWSA-N 1 0 264.369 2.348 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000134244047 366303089 /nfs/dbraw/zinc/30/30/89/366303089.db2.gz BPCQPYGYXPKMLB-CWSCBRNRSA-N 1 0 251.326 2.229 20 10 CECDRO C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000134914712 366372723 /nfs/dbraw/zinc/37/27/23/366372723.db2.gz NCZHVIVGDKDCCY-BDAKNGLRSA-N 1 0 288.185 2.434 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)c1ccsc1)OCO2 ZINC000152546163 366702923 /nfs/dbraw/zinc/70/29/23/366702923.db2.gz HAZMHWCNIUNTQQ-LBPRGKRZSA-N 1 0 293.344 2.006 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000091856601 364072318 /nfs/dbraw/zinc/07/23/18/364072318.db2.gz OSMDVLATOFAECT-ZFWWWQNUSA-N 1 0 279.405 2.407 20 10 CECDRO CCOCCO[C@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000092067512 364075622 /nfs/dbraw/zinc/07/56/22/364075622.db2.gz ITDMWMJOKJCOJH-AWEZNQCLSA-N 1 0 295.379 2.028 20 10 CECDRO CN(Cc1nnc(C2CC2)n1C)Cc1ccccc1O ZINC000111235538 364724582 /nfs/dbraw/zinc/72/45/82/364724582.db2.gz DPMQSIJLFJFQLU-UHFFFAOYSA-N 1 0 272.352 2.030 20 10 CECDRO CC(C)CN(C(=O)C[N@H+](C)Cc1ccccc1O)C1CC1 ZINC000111236375 364726541 /nfs/dbraw/zinc/72/65/41/364726541.db2.gz NUMYBNFSXOGFBG-UHFFFAOYSA-N 1 0 290.407 2.471 20 10 CECDRO COc1ccc(N(CC2CC2)C(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000638850845 370796878 /nfs/dbraw/zinc/79/68/78/370796878.db2.gz UNVFYGRTMBYCMJ-AWEZNQCLSA-N 1 0 286.375 2.486 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000245702808 370860346 /nfs/dbraw/zinc/86/03/46/370860346.db2.gz DLDIAVJYYLSVCL-SJORKVTESA-N 1 0 273.424 2.421 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@]2(C)CCOC2)c1O ZINC000169092923 367364400 /nfs/dbraw/zinc/36/44/00/367364400.db2.gz MTTFCPHAPMVNGL-CYBMUJFWSA-N 1 0 271.744 2.323 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@H](C)O1 ZINC000179855135 368355745 /nfs/dbraw/zinc/35/57/45/368355745.db2.gz JEUQCFWQYVHOTK-WCQYABFASA-N 1 0 265.353 2.400 20 10 CECDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000179887935 368356156 /nfs/dbraw/zinc/35/61/56/368356156.db2.gz TXGFZZYLSIYPTH-GFCCVEGCSA-N 1 0 276.380 2.301 20 10 CECDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccccc1O ZINC000179879267 368356319 /nfs/dbraw/zinc/35/63/19/368356319.db2.gz ALOIPBIJJSJGKK-GFCCVEGCSA-N 1 0 262.353 2.055 20 10 CECDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180021070 368362599 /nfs/dbraw/zinc/36/25/99/368362599.db2.gz JEXAYTBMUXLWHD-LBPRGKRZSA-N 1 0 294.370 2.270 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2C)c1 ZINC000180246496 368375017 /nfs/dbraw/zinc/37/50/17/368375017.db2.gz CFUVVPDGOMTVAM-JTQLQIEISA-N 1 0 253.367 2.338 20 10 CECDRO Cc1cccc(C[NH+]2CCC(Cn3ccnn3)CC2)c1O ZINC000180781112 368394851 /nfs/dbraw/zinc/39/48/51/368394851.db2.gz AZAGKWBEPITWOD-UHFFFAOYSA-N 1 0 286.379 2.204 20 10 CECDRO Cc1noc(CC[NH2+][C@H](C)c2ccc(C)cc2O)n1 ZINC000185972514 368896204 /nfs/dbraw/zinc/89/62/04/368896204.db2.gz CXRQQQUSXYASSK-SNVBAGLBSA-N 1 0 261.325 2.285 20 10 CECDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CO)c1O ZINC000187049359 369091910 /nfs/dbraw/zinc/09/19/10/369091910.db2.gz WSIIXGHUUHXWOV-RKDXNWHRSA-N 1 0 288.185 2.495 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)ccc1OC ZINC000189328120 369498055 /nfs/dbraw/zinc/49/80/55/369498055.db2.gz NCCGSAJJAKZNGH-CVEARBPZSA-N 1 0 293.407 2.481 20 10 CECDRO CC[N@@H+](Cc1cc(F)ccc1O)C[C@@H](O)C(F)(F)F ZINC000189880080 369575690 /nfs/dbraw/zinc/57/56/90/369575690.db2.gz WTFYOCGXODQDBT-LLVKDONJSA-N 1 0 281.249 2.276 20 10 CECDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)CC(F)(F)F ZINC000189663319 369555259 /nfs/dbraw/zinc/55/52/59/369555259.db2.gz BICIBICUJCCJNB-SNVBAGLBSA-N 1 0 263.259 2.137 20 10 CECDRO CC[N@@H+](Cc1cccc(OC)c1O)C[C@@H](O)C(F)(F)F ZINC000189863467 369574421 /nfs/dbraw/zinc/57/44/21/369574421.db2.gz VBALBDCHYAAMEH-LLVKDONJSA-N 1 0 293.285 2.146 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])[C@@H]1CO ZINC000191179892 369688437 /nfs/dbraw/zinc/68/84/37/369688437.db2.gz HGRYPUCGNJFJLF-JOYOIKCWSA-N 1 0 255.745 2.248 20 10 CECDRO C[N@H+](CCO[C@@H]1CCCCO1)Cc1ccccc1O ZINC000193071365 369888700 /nfs/dbraw/zinc/88/87/00/369888700.db2.gz CZNNTZZRGNMYHN-OAHLLOKOSA-N 1 0 265.353 2.367 20 10 CECDRO C[C@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)c2c(O)cccc21 ZINC000638317611 370442497 /nfs/dbraw/zinc/44/24/97/370442497.db2.gz MLVJHBZSRXJFEB-JQWIXIFHSA-N 1 0 272.348 2.280 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3OCCC[C@H]3C1)OCO2 ZINC000247052891 371056732 /nfs/dbraw/zinc/05/67/32/371056732.db2.gz UIPHSDPSGPAAGP-FZMZJTMJSA-N 1 0 291.347 2.122 20 10 CECDRO CC[C@H]([NH2+][C@H](CCO)COC)c1ccc(N(C)C)cc1 ZINC000269048544 372325118 /nfs/dbraw/zinc/32/51/18/372325118.db2.gz WYAHFYQIAKKAJD-ZBFHGGJFSA-N 1 0 280.412 2.191 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1O ZINC000270835108 372974662 /nfs/dbraw/zinc/97/46/62/372974662.db2.gz DDYJJRNICYVRPI-HZMBPMFUSA-N 1 0 297.782 2.451 20 10 CECDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271185589 373169064 /nfs/dbraw/zinc/16/90/64/373169064.db2.gz MUQNEAWDIBXCJF-LBPRGKRZSA-N 1 0 252.333 2.112 20 10 CECDRO CCC1(O)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000272325778 373430623 /nfs/dbraw/zinc/43/06/23/373430623.db2.gz VFGWIKJABZXCRC-UHFFFAOYSA-N 1 0 253.317 2.268 20 10 CECDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000272399907 373464092 /nfs/dbraw/zinc/46/40/92/373464092.db2.gz ZHRDKJATZQHAGU-QGZVFWFLSA-N 1 0 289.423 2.421 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2[C@@H](CO)CCC[C@@H]2C)c1O ZINC000272697737 373619094 /nfs/dbraw/zinc/61/90/94/373619094.db2.gz VPHMXEKKOIMKPZ-IINYFYTJSA-N 1 0 295.354 2.469 20 10 CECDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000272931937 373719335 /nfs/dbraw/zinc/71/93/35/373719335.db2.gz ZQMLASCOSGVROP-HIFPTAJRSA-N 1 0 276.380 2.348 20 10 CECDRO COC(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000273376081 373753403 /nfs/dbraw/zinc/75/34/03/373753403.db2.gz HHUBEUWUENHTAY-SNVBAGLBSA-N 1 0 296.342 2.413 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC2CC2)c(O)c1C ZINC000273497851 373760495 /nfs/dbraw/zinc/76/04/95/373760495.db2.gz YFCLOZPSWLLBDZ-LBPRGKRZSA-N 1 0 276.380 2.186 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c(O)c1C ZINC000273540969 373762574 /nfs/dbraw/zinc/76/25/74/373762574.db2.gz YIPTZGTWRIKXCB-QWHCGFSZSA-N 1 0 288.391 2.423 20 10 CECDRO C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273570619 373763915 /nfs/dbraw/zinc/76/39/15/373763915.db2.gz KNGITJUFLHKYAE-QWRGUYRKSA-N 1 0 281.356 2.291 20 10 CECDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC000374678426 374626585 /nfs/dbraw/zinc/62/65/85/374626585.db2.gz KFDNKOJGIMEFCV-WBMJQRKESA-N 1 0 293.338 2.306 20 10 CECDRO Cc1cccc(C[NH2+][C@]2(CO)CCOc3ccccc32)c1O ZINC000282159757 375417838 /nfs/dbraw/zinc/41/78/38/375417838.db2.gz DHPUYOUMVWKVTC-SFHVURJKSA-N 1 0 299.370 2.461 20 10 CECDRO COCCn1cc(C[NH2+][C@H](C)c2cc(C)ccc2O)cn1 ZINC000282433433 375483384 /nfs/dbraw/zinc/48/33/84/375483384.db2.gz DJUWIRRRZNOLBA-CYBMUJFWSA-N 1 0 289.379 2.394 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCCF)c1ccc(N(C)C)cc1 ZINC000282821468 375583676 /nfs/dbraw/zinc/58/36/76/375583676.db2.gz RTXAMUAZWACFSH-IUODEOHRSA-N 1 0 295.402 2.268 20 10 CECDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000285470129 375837220 /nfs/dbraw/zinc/83/72/20/375837220.db2.gz KMOWRLJADIOCAK-BBRMVZONSA-N 1 0 292.448 2.364 20 10 CECDRO CC[C@H](N[C@H](C)c1ncn(C)n1)c1ccc(F)cc1O ZINC000287375846 376218533 /nfs/dbraw/zinc/21/85/33/376218533.db2.gz HZGHJHJULFOYJD-SKDRFNHKSA-N 1 0 278.331 2.462 20 10 CECDRO O=C(c1cn[nH]c1[C@H]1CCC[NH2+]C1)N1CCc2ccccc21 ZINC000422909794 376860958 /nfs/dbraw/zinc/86/09/58/376860958.db2.gz GVKPUEOFJOYJBW-ZDUSSCGKSA-N 1 0 296.374 2.080 20 10 CECDRO CC/C=C/C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000294722806 378015851 /nfs/dbraw/zinc/01/58/51/378015851.db2.gz CRXQHSHOZAJQCP-AATRIKPKSA-N 1 0 251.326 2.465 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1 ZINC000294528018 377995436 /nfs/dbraw/zinc/99/54/36/377995436.db2.gz ZTEHUIMCCSXQJQ-XYPHTWIQSA-N 1 0 292.423 2.333 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@H](O)C(F)F ZINC000294927516 378030188 /nfs/dbraw/zinc/03/01/88/378030188.db2.gz BKGVJIQGWKBTEF-QWRKXWFKSA-N 1 0 289.322 2.456 20 10 CECDRO C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCOC1 ZINC000295228532 378060085 /nfs/dbraw/zinc/06/00/85/378060085.db2.gz CPLYNSMKOGYGJI-VIFPVBQESA-N 1 0 259.708 2.405 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H](O)C(F)F ZINC000296551400 378571220 /nfs/dbraw/zinc/57/12/20/378571220.db2.gz RNSDKRSQFNXRKB-PTOFAABTSA-N 1 0 259.296 2.447 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCc3nccn3C1)CC2 ZINC000296253540 285396859 /nfs/dbraw/zinc/39/68/59/285396859.db2.gz BJYHTYLRPFJZGU-JSGCOSHPSA-N 1 0 283.375 2.428 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCCn2nc(C)cc2C)c1 ZINC000164419204 130378285 /nfs/dbraw/zinc/37/82/85/130378285.db2.gz PTPYBUGXJXAAHB-UHFFFAOYSA-N 1 0 289.379 2.394 20 10 CECDRO COc1ccc(N2CCC[N@H+](CCCCCO)CC2)cc1 ZINC000303368860 394479364 /nfs/dbraw/zinc/47/93/64/394479364.db2.gz JBTUZJQPCYPXHN-UHFFFAOYSA-N 1 0 292.423 2.370 20 10 CECDRO Oc1cccc(Cl)c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000250772897 394564279 /nfs/dbraw/zinc/56/42/79/394564279.db2.gz BGOGTMRPLKOVLS-NSHDSACASA-N 1 0 266.772 2.326 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)c1O ZINC000093813690 394669550 /nfs/dbraw/zinc/66/95/50/394669550.db2.gz VEIVACDPDXOABM-INIZCTEOSA-N 1 0 293.363 2.176 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCOC2)c1 ZINC000109543442 394734353 /nfs/dbraw/zinc/73/43/53/394734353.db2.gz SHKJFJVIAQSZNN-GHMZBOCLSA-N 1 0 251.326 2.230 20 10 CECDRO CCN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109769039 394735226 /nfs/dbraw/zinc/73/52/26/394735226.db2.gz RRHBYVIVCJFHBJ-LBPRGKRZSA-N 1 0 264.369 2.081 20 10 CECDRO COc1cccc(CN(C)CC2([NH+](C)C)CCC2)c1O ZINC000097934076 394700356 /nfs/dbraw/zinc/70/03/56/394700356.db2.gz IINGTHXMIKAWFC-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1ccccc1O ZINC000119178596 394765358 /nfs/dbraw/zinc/76/53/58/394765358.db2.gz AKEGKOYMPMGIPQ-YOIRWDDOSA-N 1 0 255.383 2.200 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCNC(C)=O)cc1 ZINC000121339598 394796137 /nfs/dbraw/zinc/79/61/37/394796137.db2.gz NUAPAUUNHYSZIB-ZDUSSCGKSA-N 1 0 277.412 2.320 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c1O ZINC000361991776 394840882 /nfs/dbraw/zinc/84/08/82/394840882.db2.gz PQHASEMUANLNGA-HNNXBMFYSA-N 1 0 283.375 2.446 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000362042634 394842452 /nfs/dbraw/zinc/84/24/52/394842452.db2.gz UPLNBXVKHCHGBY-UHFFFAOYSA-N 1 0 299.370 2.020 20 10 CECDRO COc1ccc(O)c(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c1 ZINC000282127240 394910708 /nfs/dbraw/zinc/91/07/08/394910708.db2.gz BDVRIPFMPWNPSO-SMDDNHRTSA-N 1 0 265.353 2.400 20 10 CECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](O)C2)c1O ZINC000132491796 394931913 /nfs/dbraw/zinc/93/19/13/394931913.db2.gz VQMBDDVXDIFWDC-NSHDSACASA-N 1 0 286.169 2.030 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000373634445 395064038 /nfs/dbraw/zinc/06/40/38/395064038.db2.gz FAWQULBBIYKYFV-MLGOLLRUSA-N 1 0 295.354 2.301 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000374282218 395078475 /nfs/dbraw/zinc/07/84/75/395078475.db2.gz FJZLAVYVMIEEQF-CQSZACIVSA-N 1 0 257.337 2.426 20 10 CECDRO CN1CCc2cc(C[NH2+][C@@H]3CCc4c[nH]nc4C3)ccc21 ZINC000372131856 395035427 /nfs/dbraw/zinc/03/54/27/395035427.db2.gz LEWOOYPSTWQRAH-OAHLLOKOSA-N 1 0 282.391 2.049 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000178712319 395172268 /nfs/dbraw/zinc/17/22/68/395172268.db2.gz WJZGMCDUYQKUNI-HNNXBMFYSA-N 1 0 277.412 2.132 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)C[NH2+]C)cc1 ZINC000178712411 395172803 /nfs/dbraw/zinc/17/28/03/395172803.db2.gz DMBRASSNCMUDJA-CYBMUJFWSA-N 1 0 277.412 2.005 20 10 CECDRO COc1ccc(N(C)CC2CC[NH2+]CC2)cc1F ZINC000178976179 395176738 /nfs/dbraw/zinc/17/67/38/395176738.db2.gz DHCRHZHLNQNQMJ-UHFFFAOYSA-N 1 0 252.333 2.270 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)cc1 ZINC000182077438 395232795 /nfs/dbraw/zinc/23/27/95/395232795.db2.gz DPZQXPAWUTZIAQ-UHFFFAOYSA-N 1 0 276.380 2.092 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)Cn2ccnc2C)c1 ZINC000182462051 395242656 /nfs/dbraw/zinc/24/26/56/395242656.db2.gz FETFQIMQDZGUJY-GFCCVEGCSA-N 1 0 289.379 2.332 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H]1O ZINC000293698143 395248070 /nfs/dbraw/zinc/24/80/70/395248070.db2.gz CMOGHEJFSZYMMF-GDBMZVCRSA-N 1 0 262.397 2.264 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)COC)c1 ZINC000179372476 395192547 /nfs/dbraw/zinc/19/25/47/395192547.db2.gz AHZIKVBTJMJJEE-LLVKDONJSA-N 1 0 253.342 2.258 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000179469779 395193893 /nfs/dbraw/zinc/19/38/93/395193893.db2.gz QCHQLTIHFFNXEL-CQSZACIVSA-N 1 0 272.352 2.129 20 10 CECDRO Oc1ccccc1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000179554556 395195506 /nfs/dbraw/zinc/19/55/06/395195506.db2.gz QQURYUJJCIZUPJ-UHFFFAOYSA-N 1 0 283.375 2.105 20 10 CECDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000193889596 395417505 /nfs/dbraw/zinc/41/75/05/395417505.db2.gz OPLQBBVUSVXUJV-SDDRHHMPSA-N 1 0 293.363 2.393 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@H]3CCCCN3C[C@@H]2C)c1O ZINC000211286128 400303712 /nfs/dbraw/zinc/30/37/12/400303712.db2.gz LFMNLXZSBQRTPV-DZGCQCFKSA-N 1 0 290.407 2.459 20 10 CECDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000230689166 414846977 /nfs/dbraw/zinc/84/69/77/414846977.db2.gz GFYBHYHQIJTVKU-OAHLLOKOSA-N 1 0 250.386 2.249 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000036933342 260053282 /nfs/dbraw/zinc/05/32/82/260053282.db2.gz DVJPPXAUASXYHM-KBPBESRZSA-N 1 0 278.396 2.072 20 10 CECDRO C[C@H]([NH2+]CCCn1cccn1)c1cc(F)ccc1O ZINC000126309621 260348994 /nfs/dbraw/zinc/34/89/94/260348994.db2.gz XXGRSVARVKDPAV-NSHDSACASA-N 1 0 263.316 2.469 20 10 CECDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000155406903 261101592 /nfs/dbraw/zinc/10/15/92/261101592.db2.gz XPLLTZUYEQBMEK-LSDHHAIUSA-N 1 0 292.423 2.456 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccccc1O ZINC000155587231 261103861 /nfs/dbraw/zinc/10/38/61/261103861.db2.gz VHMMPXHOLIFALG-JSGCOSHPSA-N 1 0 286.379 2.348 20 10 CECDRO CCC[NH+]1CCN(Cc2cc(OCC)ccc2O)CC1 ZINC000156972826 261136978 /nfs/dbraw/zinc/13/69/78/261136978.db2.gz CLEOIVZXMNIQPT-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO COc1cc(O)c(C[N@H+](C)CC2CC2)cc1OC ZINC000159895410 261197678 /nfs/dbraw/zinc/19/76/78/261197678.db2.gz DENQGPLZNALQHC-UHFFFAOYSA-N 1 0 251.326 2.251 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)[C@H](C)O)c1O ZINC000169093538 261429302 /nfs/dbraw/zinc/42/93/02/261429302.db2.gz HVVOTTNICVDQKZ-QMMMGPOBSA-N 1 0 273.760 2.303 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)NC(C)(C)C ZINC000181234789 261429532 /nfs/dbraw/zinc/42/95/32/261429532.db2.gz RATOBHMDTIGVPI-VHSXEESVSA-N 1 0 282.359 2.485 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000178711674 261756137 /nfs/dbraw/zinc/75/61/37/261756137.db2.gz LWBUNWZDHPBQRW-CABCVRRESA-N 1 0 289.423 2.276 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)CC(C)(C)O)c1O ZINC000184694065 262026242 /nfs/dbraw/zinc/02/62/42/262026242.db2.gz YTORUCXGSLJLRI-UHFFFAOYSA-N 1 0 273.760 2.257 20 10 CECDRO COCCN1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185145289 262043874 /nfs/dbraw/zinc/04/38/74/262043874.db2.gz QUZCRKYCZXXKGQ-GFCCVEGCSA-N 1 0 296.386 2.293 20 10 CECDRO C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)CN1CCOCC1 ZINC000185505669 262057977 /nfs/dbraw/zinc/05/79/77/262057977.db2.gz KGOWRUVTZNMLLX-CHWSQXEVSA-N 1 0 296.386 2.150 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1O ZINC000367438278 262075120 /nfs/dbraw/zinc/07/51/20/262075120.db2.gz LZZFRZASAXNZHC-MRXNPFEDSA-N 1 0 277.364 2.403 20 10 CECDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(C)ccc2O)C1(C)C ZINC000186590055 262100939 /nfs/dbraw/zinc/10/09/39/262100939.db2.gz XRBGLKOSUAWNJC-NVXWUHKLSA-N 1 0 293.407 2.356 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c(O)c1C ZINC000276918770 263038455 /nfs/dbraw/zinc/03/84/55/263038455.db2.gz QLXYHMLMZMNMHZ-RYUDHWBXSA-N 1 0 264.369 2.136 20 10 CECDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccc(N(C)C)cc1)CCO2 ZINC000280404250 263061259 /nfs/dbraw/zinc/06/12/59/263061259.db2.gz LBLTXDBKEHUNTL-WMLDXEAASA-N 1 0 290.407 2.132 20 10 CECDRO COc1ccc(C[NH2+]CCC2(O)CCOCC2)cc1C ZINC000285497435 263093537 /nfs/dbraw/zinc/09/35/37/263093537.db2.gz MNFJPOSHKMAMGG-UHFFFAOYSA-N 1 0 279.380 2.025 20 10 CECDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296330707 263190129 /nfs/dbraw/zinc/19/01/29/263190129.db2.gz HTPFBNOJBGKKSK-ZDUSSCGKSA-N 1 0 287.407 2.044 20 10 CECDRO COc1cc(Cl)cc(CN2CC[NH+]3CCC2CC3)c1O ZINC000367670182 267107601 /nfs/dbraw/zinc/10/76/01/267107601.db2.gz SYLJWCMUTIYFKF-UHFFFAOYSA-N 1 0 296.798 2.334 20 10 CECDRO C[C@H]1CCOCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000368593788 267190040 /nfs/dbraw/zinc/19/00/40/267190040.db2.gz PUNCLWQTLGJHJL-HNNXBMFYSA-N 1 0 290.407 2.134 20 10 CECDRO Oc1c(F)cccc1CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000368592511 267190215 /nfs/dbraw/zinc/19/02/15/267190215.db2.gz QLNKTBYYFXQCLV-CYBMUJFWSA-N 1 0 296.411 2.154 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)cc1C ZINC000369227091 267228032 /nfs/dbraw/zinc/22/80/32/267228032.db2.gz XWROIYWJLRYCCN-HUUCEWRRSA-N 1 0 288.391 2.252 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1O ZINC000369684368 267259083 /nfs/dbraw/zinc/25/90/83/267259083.db2.gz UVCFCKGWDAEKKX-GXTWGEPZSA-N 1 0 277.364 2.402 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1 ZINC000371141420 267354464 /nfs/dbraw/zinc/35/44/64/267354464.db2.gz YPWUDKQIMIERFE-AWEZNQCLSA-N 1 0 270.380 2.123 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c(O)c1 ZINC000367436859 327828551 /nfs/dbraw/zinc/82/85/51/327828551.db2.gz HMKREBBJDLCNFP-YLVFBTJISA-N 1 0 288.391 2.408 20 10 CECDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCC1 ZINC000277204536 328220748 /nfs/dbraw/zinc/22/07/48/328220748.db2.gz JTRSKTNFPOMGBI-NSHDSACASA-N 1 0 294.370 2.488 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000377622676 329021392 /nfs/dbraw/zinc/02/13/92/329021392.db2.gz IJDHETJJZDLGGF-XJKSGUPXSA-N 1 0 274.364 2.055 20 10 CECDRO OC1(C[NH2+]Cc2ccc3c(c2)CCO3)Cc2ccccc2C1 ZINC000377769545 329028885 /nfs/dbraw/zinc/02/88/85/329028885.db2.gz LWNBRCISQPXTJX-UHFFFAOYSA-N 1 0 295.382 2.241 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000378457134 329051453 /nfs/dbraw/zinc/05/14/53/329051453.db2.gz PXXGYKFDAJKYHL-CYBMUJFWSA-N 1 0 257.337 2.071 20 10 CECDRO COc1cccc(C[NH2+][C@]2(CO)CCc3ccccc32)c1O ZINC000135910219 329669154 /nfs/dbraw/zinc/66/91/54/329669154.db2.gz HJNWXXLIIMQERX-SFHVURJKSA-N 1 0 299.370 2.324 20 10 CECDRO Cc1n[nH]cc1CCC[NH2+]Cc1cc(F)ccc1O ZINC000226584353 333265640 /nfs/dbraw/zinc/26/56/40/333265640.db2.gz ZTVRVFJLIRGKRP-UHFFFAOYSA-N 1 0 263.316 2.285 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(F)ccc1O ZINC000228092837 333294797 /nfs/dbraw/zinc/29/47/97/333294797.db2.gz DUBSDIRXWCDDAR-MNOVXSKESA-N 1 0 280.343 2.193 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cn[nH]c1 ZINC000229884987 333310763 /nfs/dbraw/zinc/31/07/63/333310763.db2.gz VYYXJJINMJNZIN-CYBMUJFWSA-N 1 0 286.379 2.097 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC[C@@H](C)CO)c1 ZINC000230669726 333320287 /nfs/dbraw/zinc/32/02/87/333320287.db2.gz FCCDDBYQABVROY-VXGBXAGGSA-N 1 0 267.369 2.460 20 10 CECDRO CC[C@H]([NH2+]Cc1nncn1CC)c1ccccc1O ZINC000230971666 333323256 /nfs/dbraw/zinc/32/32/56/333323256.db2.gz DTZRYHRZUNSZHG-LBPRGKRZSA-N 1 0 260.341 2.245 20 10 CECDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C)c2O)C1 ZINC000279915812 519539031 /nfs/dbraw/zinc/53/90/31/519539031.db2.gz WZVNKNIILPWZPG-AWEZNQCLSA-N 1 0 276.380 2.049 20 10 CECDRO CCCCC[N@H+](CCO)Cc1cccc(OC)c1O ZINC000126887932 520171188 /nfs/dbraw/zinc/17/11/88/520171188.db2.gz APEPFJKPGKXNBT-UHFFFAOYSA-N 1 0 267.369 2.385 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](C)C(=O)NC)cc1 ZINC000093899673 520893026 /nfs/dbraw/zinc/89/30/26/520893026.db2.gz XYFYVMNLLYZCTM-AWEZNQCLSA-N 1 0 291.439 2.347 20 10 CECDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000125821243 521140098 /nfs/dbraw/zinc/14/00/98/521140098.db2.gz VCHDROSBQBIBSC-YPMHNXCESA-N 1 0 263.337 2.214 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2ccco2)c1 ZINC000266165105 521149992 /nfs/dbraw/zinc/14/99/92/521149992.db2.gz PBWVOMOAGWKXFB-MRXNPFEDSA-N 1 0 291.347 2.381 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@@H](C)OC)c1 ZINC000289958276 521155070 /nfs/dbraw/zinc/15/50/70/521155070.db2.gz YBMFPSXVZZIUKS-GHMZBOCLSA-N 1 0 253.342 2.304 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](COC)[C@@H]2CCCO2)c1O ZINC000278604497 521371359 /nfs/dbraw/zinc/37/13/59/521371359.db2.gz ICLJSEJQRKOOQR-KBPBESRZSA-N 1 0 295.379 2.075 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](COC)OC)c1ccc(C)cc1O ZINC000280269072 522611131 /nfs/dbraw/zinc/61/11/31/522611131.db2.gz XSTPRBNEUPVDIO-JSGCOSHPSA-N 1 0 267.369 2.403 20 10 CECDRO COC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@H]1CCCO1 ZINC000278932149 522760938 /nfs/dbraw/zinc/76/09/38/522760938.db2.gz XNPDJNHJWLQORD-HZUKXOBISA-N 1 0 295.379 2.245 20 10 CECDRO CC[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(C)cc1O ZINC000280941510 522816864 /nfs/dbraw/zinc/81/68/64/522816864.db2.gz SNBZNOJEXMUNFE-LLVKDONJSA-N 1 0 286.322 2.123 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)(C)O ZINC000293031449 522874346 /nfs/dbraw/zinc/87/43/46/522874346.db2.gz PTZHZBYRHUFARL-CQSZACIVSA-N 1 0 250.386 2.392 20 10 CECDRO CNC(=O)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273597401 524065058 /nfs/dbraw/zinc/06/50/58/524065058.db2.gz QYPOFCSNCIEFRD-VIFPVBQESA-N 1 0 270.760 2.222 20 10 CECDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000289518586 524069923 /nfs/dbraw/zinc/06/99/23/524069923.db2.gz HBAYKDMENCZNLE-CQSZACIVSA-N 1 0 276.380 2.273 20 10 CECDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293193804 524115112 /nfs/dbraw/zinc/11/51/12/524115112.db2.gz TZTWQSHEBYZRGT-HNNXBMFYSA-N 1 0 289.423 2.019 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@H](O)C(C)(C)C)CC2)cc1 ZINC000059322679 524426255 /nfs/dbraw/zinc/42/62/55/524426255.db2.gz HZGVHSYPZMUOMS-INIZCTEOSA-N 1 0 292.423 2.224 20 10 CECDRO COc1ccccc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879117 524487541 /nfs/dbraw/zinc/48/75/41/524487541.db2.gz WTSBMJNONDWMSV-UHFFFAOYSA-N 1 0 287.315 2.419 20 10 CECDRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000275321166 524673264 /nfs/dbraw/zinc/67/32/64/524673264.db2.gz SIQHJYGTSMJPQV-WYRIXSBYSA-N 1 0 286.416 2.091 20 10 CECDRO Cc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1N(C)C ZINC000293384160 524675446 /nfs/dbraw/zinc/67/54/46/524675446.db2.gz GLIHAIYOEFRYDX-UHFFFAOYSA-N 1 0 289.423 2.148 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000280254012 524995896 /nfs/dbraw/zinc/99/58/96/524995896.db2.gz LIZAENSJEZJFJV-RHSMWYFYSA-N 1 0 290.407 2.132 20 10 CECDRO COc1ncccc1CC[NH2+]Cc1cc(C)ccc1O ZINC000289422012 525045726 /nfs/dbraw/zinc/04/57/26/525045726.db2.gz BPTNJQKHSKWHSH-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)N2CCCC2)cc1C ZINC000281390629 525323672 /nfs/dbraw/zinc/32/36/72/525323672.db2.gz OYVGEUCVJJCSHN-ZDUSSCGKSA-N 1 0 276.380 2.110 20 10 CECDRO CS[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1N(C)C ZINC000278845751 525844458 /nfs/dbraw/zinc/84/44/58/525844458.db2.gz LLZZHWHZXDTINE-HZPDHXFCSA-N 1 0 293.480 2.230 20 10 CECDRO Cc1c([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cnn1C ZINC000042880118 525919520 /nfs/dbraw/zinc/91/95/20/525919520.db2.gz WSHVRWHJSIVIDC-VIFPVBQESA-N 1 0 289.335 2.014 20 10 CECDRO COc1cccc(C[NH2+]CCC2(OC)CCC2)c1O ZINC000292832578 526013302 /nfs/dbraw/zinc/01/33/02/526013302.db2.gz APYGAVOGIBKYPU-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO OC[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)ccc1O ZINC000119539487 527607759 /nfs/dbraw/zinc/60/77/59/527607759.db2.gz WSQQFKVPCZVRKK-HNNXBMFYSA-N 1 0 275.323 2.225 20 10 CECDRO CC[C@H](C)[N@H+](C)CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875216293 649893796 /nfs/dbraw/zinc/89/37/96/649893796.db2.gz WAGUXESMKVIBEW-LBPRGKRZSA-N 1 0 291.395 2.148 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@](C)(O)C2CC2)c(O)c1 ZINC000732668940 574625714 /nfs/dbraw/zinc/62/57/14/574625714.db2.gz LTJGSBUQALDLIY-OAHLLOKOSA-N 1 0 265.353 2.042 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(C)C2)cc1F ZINC000733325469 574663899 /nfs/dbraw/zinc/66/38/99/574663899.db2.gz NQEODSWGUOGEFK-ZDUSSCGKSA-N 1 0 265.376 2.076 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H](OC)C(F)(F)F)c1O ZINC000733330020 574665039 /nfs/dbraw/zinc/66/50/39/574665039.db2.gz OIBCEGHKNGPTPF-LLVKDONJSA-N 1 0 293.285 2.458 20 10 CECDRO COc1ccc2ccc(O)c(C[NH+]3CC(OC)C3)c2c1 ZINC000738234744 574855732 /nfs/dbraw/zinc/85/57/32/574855732.db2.gz SSCQCQARRYSOIV-UHFFFAOYSA-N 1 0 273.332 2.385 20 10 CECDRO O=C(C1=CC(=O)CS1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743711694 575109106 /nfs/dbraw/zinc/10/91/06/575109106.db2.gz CGXWDOSYAWHEKA-GFCCVEGCSA-N 1 0 294.420 2.402 20 10 CECDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000746409920 575156009 /nfs/dbraw/zinc/15/60/09/575156009.db2.gz SVLQGVBVZYJADJ-LBPRGKRZSA-N 1 0 294.420 2.258 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCN(C)C2=O)cc1 ZINC000748242806 575181099 /nfs/dbraw/zinc/18/10/99/575181099.db2.gz RDMRPSHHUDXMPE-INIZCTEOSA-N 1 0 289.423 2.243 20 10 CECDRO C[N@@H+](Cc1c(O)ccc2ccncc21)C[C@@H]1CCOC1 ZINC000749966098 575242057 /nfs/dbraw/zinc/24/20/57/575242057.db2.gz JBKWPPGEXYGCMI-LBPRGKRZSA-N 1 0 272.348 2.409 20 10 CECDRO COC1CCN(CC[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000751147463 575283425 /nfs/dbraw/zinc/28/34/25/575283425.db2.gz BAEXNHWEAQULAV-UHFFFAOYSA-N 1 0 298.814 2.246 20 10 CECDRO CCOCc1cc(C[NH2+]CCN2CCC2)ccc1OC ZINC000752107031 575305540 /nfs/dbraw/zinc/30/55/40/575305540.db2.gz NYOFTEUIYCGULY-UHFFFAOYSA-N 1 0 278.396 2.027 20 10 CECDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCN2C)c1O ZINC000896595655 630608834 /nfs/dbraw/zinc/60/88/34/630608834.db2.gz WPODQGNWOFPAPS-GFCCVEGCSA-N 1 0 299.212 2.257 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](C)N(C(C)=O)C2)cc1C ZINC000980276917 617258541 /nfs/dbraw/zinc/25/85/41/617258541.db2.gz YSSRCMMPMXLMMD-XJKSGUPXSA-N 1 0 290.407 2.350 20 10 CECDRO CCC(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000961440587 614838074 /nfs/dbraw/zinc/83/80/74/614838074.db2.gz RCUOMOVIZDPMFM-UHFFFAOYSA-N 1 0 290.407 2.398 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000179365688 625392438 /nfs/dbraw/zinc/39/24/38/625392438.db2.gz BHKUWECRHPNSHP-OAHLLOKOSA-N 1 0 290.407 2.338 20 10 CECDRO CC[C@@H](C(=O)NCc1cccc(Cl)c1O)[NH+](C)C ZINC000890759422 622931895 /nfs/dbraw/zinc/93/18/95/622931895.db2.gz AZDMTUZBIPGPDD-NSHDSACASA-N 1 0 270.760 2.002 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)OCCO)c2c1c(F)ccc2O ZINC000806664425 622969056 /nfs/dbraw/zinc/96/90/56/622969056.db2.gz PZZWUMKNMZRMRQ-JQWIXIFHSA-N 1 0 297.370 2.457 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cc1OC ZINC000160478506 623338806 /nfs/dbraw/zinc/33/88/06/623338806.db2.gz MPFQWUNKXICTQM-DGCLKSJQSA-N 1 0 295.379 2.145 20 10 CECDRO COc1cc(C[N@@H+]2CCOC3(CCC3)C2)c(O)cc1C ZINC000160525011 623378641 /nfs/dbraw/zinc/37/86/41/623378641.db2.gz GGORRGQLFOVRSB-UHFFFAOYSA-N 1 0 277.364 2.464 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2OC)c1O ZINC000050369643 623402516 /nfs/dbraw/zinc/40/25/16/623402516.db2.gz NSVIXGKFKRYYFW-CHWSQXEVSA-N 1 0 265.353 2.448 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2OC)c1 ZINC000050370255 623402796 /nfs/dbraw/zinc/40/27/96/623402796.db2.gz UWTXPVUEWWWVQG-TZMCWYRMSA-N 1 0 251.326 2.058 20 10 CECDRO CCc1nn(C)cc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000092365302 623573133 /nfs/dbraw/zinc/57/31/33/623573133.db2.gz LKOQOXGSSJCPPM-UHFFFAOYSA-N 1 0 272.396 2.338 20 10 CECDRO COc1ccc(C[N@H+](C)CC(C)C)c(O)c1OC ZINC000891578917 623801122 /nfs/dbraw/zinc/80/11/22/623801122.db2.gz PZGAFSTXYGPHOM-UHFFFAOYSA-N 1 0 253.342 2.497 20 10 CECDRO COc1ccc(C[N@H+](C)[C@H]2CCSC2)c(O)c1OC ZINC000891602591 623820008 /nfs/dbraw/zinc/82/00/08/623820008.db2.gz QZECVYNUDZBZRZ-NSHDSACASA-N 1 0 283.393 2.347 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000187705718 623925466 /nfs/dbraw/zinc/92/54/66/623925466.db2.gz HJSCCBYYFAJAEI-KRWDZBQOSA-N 1 0 292.423 2.284 20 10 CECDRO C[C@@H](NC(=O)NCCC1=CC[NH2+]CC1)c1ccccc1O ZINC000892100771 624317420 /nfs/dbraw/zinc/31/74/20/624317420.db2.gz MABPYDCWLOHGOY-GFCCVEGCSA-N 1 0 289.379 2.062 20 10 CECDRO C[C@@H](NC(=O)NCC1([NH3+])CCCC1)c1ccccc1O ZINC000892248613 624452194 /nfs/dbraw/zinc/45/21/94/624452194.db2.gz HRBJTCWNTQYUCH-LLVKDONJSA-N 1 0 277.368 2.024 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCN(C3CC3)C2)c1O ZINC000044684293 624466153 /nfs/dbraw/zinc/46/61/53/624466153.db2.gz ROHSCOACBWCSFK-ZDUSSCGKSA-N 1 0 276.380 2.117 20 10 CECDRO OCC1CCN(c2ccc(C[NH2+]C3CSC3)cc2)CC1 ZINC000782154596 625025171 /nfs/dbraw/zinc/02/51/71/625025171.db2.gz MSFONFSFVNGRJA-UHFFFAOYSA-N 1 0 292.448 2.100 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CC2CC(O)C2)cc1F ZINC000276777811 625248257 /nfs/dbraw/zinc/24/82/57/625248257.db2.gz PEPWKFGQXKBLSX-UHFFFAOYSA-N 1 0 266.360 2.094 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000820878339 634558971 /nfs/dbraw/zinc/55/89/71/634558971.db2.gz ICVNUGAJDYJKPW-AWEZNQCLSA-N 1 0 290.407 2.473 20 10 CECDRO CCC[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1O ZINC000162295302 627324339 /nfs/dbraw/zinc/32/43/39/627324339.db2.gz KHEAOXYNCSRYEI-UHFFFAOYSA-N 1 0 299.436 2.429 20 10 CECDRO CCN(CC)C[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892939681 627867471 /nfs/dbraw/zinc/86/74/71/627867471.db2.gz UQVYONOYUAJKCC-LBPRGKRZSA-N 1 0 296.411 2.229 20 10 CECDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185531013 628233204 /nfs/dbraw/zinc/23/32/04/628233204.db2.gz KVNLZPVSELAXLC-GXSJLCMTSA-N 1 0 273.373 2.296 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)c1 ZINC000185790508 628239056 /nfs/dbraw/zinc/23/90/56/628239056.db2.gz IUADWTQVBIBVQW-RYUDHWBXSA-N 1 0 285.409 2.174 20 10 CECDRO C[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000192756696 628450978 /nfs/dbraw/zinc/45/09/78/628450978.db2.gz AUKZENSUTCKEJB-GFCCVEGCSA-N 1 0 261.321 2.368 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCn1cccn1 ZINC000840914620 628474122 /nfs/dbraw/zinc/47/41/22/628474122.db2.gz FCYBUPQXGFSDAD-UHFFFAOYSA-N 1 0 272.396 2.390 20 10 CECDRO COCC[C@H](COC)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000313168047 628582426 /nfs/dbraw/zinc/58/24/26/628582426.db2.gz IUEUIXYZUZUHMK-VXGBXAGGSA-N 1 0 283.368 2.103 20 10 CECDRO COc1ccc(C[NH2+]C2(CO)CCCCC2)c(O)c1OC ZINC000893604029 628782794 /nfs/dbraw/zinc/78/27/94/628782794.db2.gz XBBUWKOLTHAAJO-UHFFFAOYSA-N 1 0 295.379 2.194 20 10 CECDRO C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]C[C@H]2C)c2c1c(F)ccc2O ZINC000925784335 628821699 /nfs/dbraw/zinc/82/16/99/628821699.db2.gz MLWVJFXIUPAANK-CNVPUSNMSA-N 1 0 264.344 2.277 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000893659821 628901572 /nfs/dbraw/zinc/90/15/72/628901572.db2.gz LAZDWWJYZVJZCP-UHFFFAOYSA-N 1 0 289.375 2.445 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)(C)CO ZINC000924860124 629123836 /nfs/dbraw/zinc/12/38/36/629123836.db2.gz ADKTVQDYKYLPGR-NSHDSACASA-N 1 0 268.376 2.388 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@]3(CCC[NH2+]3)C2)c1O ZINC000841105626 629163879 /nfs/dbraw/zinc/16/38/79/629163879.db2.gz SIUKZUSJQROBIB-OAHLLOKOSA-N 1 0 296.798 2.382 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)c(O)c1OC ZINC000894145457 629169028 /nfs/dbraw/zinc/16/90/28/629169028.db2.gz LNBNNBYBVLPTJO-INIZCTEOSA-N 1 0 295.379 2.146 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2cc(C)n[nH]2)c1O ZINC000894291348 629310604 /nfs/dbraw/zinc/31/06/04/629310604.db2.gz KWDRRIOUBLJEKL-UHFFFAOYSA-N 1 0 261.325 2.031 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(C)cc1O ZINC000794819421 629327786 /nfs/dbraw/zinc/32/77/86/629327786.db2.gz WQBKLVZLNWDXLY-JLJPHGGASA-N 1 0 292.423 2.460 20 10 CECDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894386650 629418761 /nfs/dbraw/zinc/41/87/61/629418761.db2.gz KPXMEFDLQJBLHA-NWDGAFQWSA-N 1 0 294.395 2.102 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]2C2OCCO2)c1O ZINC000902623621 634737767 /nfs/dbraw/zinc/73/77/67/634737767.db2.gz ZZFJCNVRXTWJLG-CYBMUJFWSA-N 1 0 293.363 2.047 20 10 CECDRO CCCC[N@H+](CCCO)Cc1ccc(OC)c(OC)c1O ZINC000894473915 629481906 /nfs/dbraw/zinc/48/19/06/629481906.db2.gz ASQQHCMRHPOQDK-UHFFFAOYSA-N 1 0 297.395 2.394 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@H](C)OC)c1O ZINC000894534390 629517874 /nfs/dbraw/zinc/51/78/74/629517874.db2.gz ZSVRAGJLHUOGCA-QWRGUYRKSA-N 1 0 253.342 2.222 20 10 CECDRO CCOc1cccc(CN(C)Cc2ncc[nH]2)c1O ZINC000894583726 629545359 /nfs/dbraw/zinc/54/53/59/629545359.db2.gz LCDAMUHNWVABTO-UHFFFAOYSA-N 1 0 261.325 2.146 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1cnnn1C ZINC000925078569 629604586 /nfs/dbraw/zinc/60/45/86/629604586.db2.gz IIIMBDKDTYYKSU-GFCCVEGCSA-N 1 0 273.384 2.040 20 10 CECDRO CC[C@@]1([NH2+]Cc2cc(OC)c(OC)cc2O)CCOC1 ZINC000792193253 629608194 /nfs/dbraw/zinc/60/81/94/629608194.db2.gz SNFSWFJRRMNIOW-OAHLLOKOSA-N 1 0 281.352 2.068 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(C)(C)O ZINC000894863762 629701365 /nfs/dbraw/zinc/70/13/65/629701365.db2.gz REOFEBUIPAXUJT-ZDUSSCGKSA-N 1 0 267.369 2.348 20 10 CECDRO CN1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000049084079 629749493 /nfs/dbraw/zinc/74/94/93/629749493.db2.gz NVVPUYIAXULQBB-MRXNPFEDSA-N 1 0 273.424 2.471 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3COCC3(C)C)C2)cc1 ZINC000895228138 630042656 /nfs/dbraw/zinc/04/26/56/630042656.db2.gz ISJDKYUSOWLMLF-CZUORRHYSA-N 1 0 290.407 2.289 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2c(C)ccnc2N)c1 ZINC000895393285 630162024 /nfs/dbraw/zinc/16/20/24/630162024.db2.gz ZEJUSCMRAMJTHP-UHFFFAOYSA-N 1 0 257.337 2.276 20 10 CECDRO CC1=NO[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000895428528 630178981 /nfs/dbraw/zinc/17/89/81/630178981.db2.gz IADTZTRUKZLHMG-AWEZNQCLSA-N 1 0 260.337 2.266 20 10 CECDRO C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCCC[C@H]1O ZINC000895439029 630190235 /nfs/dbraw/zinc/19/02/35/630190235.db2.gz SYZDDLDZPWBWMS-CHWSQXEVSA-N 1 0 271.307 2.406 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1O ZINC000895445706 630194144 /nfs/dbraw/zinc/19/41/44/630194144.db2.gz VVFGARGLGGIPIC-PELKAZGASA-N 1 0 293.285 2.111 20 10 CECDRO CC1=C[C@@H](C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000797419427 630232344 /nfs/dbraw/zinc/23/23/44/630232344.db2.gz LPZCKAFTRTVKMQ-MEBBXXQBSA-N 1 0 275.348 2.216 20 10 CECDRO COc1ccc(C[NH2+]CC[C@@H]2CCCOC2)c(O)c1OC ZINC000895560605 630250615 /nfs/dbraw/zinc/25/06/15/630250615.db2.gz LZSHEIBWLVICRN-LBPRGKRZSA-N 1 0 295.379 2.316 20 10 CECDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895758115 630333799 /nfs/dbraw/zinc/33/37/99/630333799.db2.gz CFHWQKRURRSYST-MRXNPFEDSA-N 1 0 295.379 2.146 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779663 630347876 /nfs/dbraw/zinc/34/78/76/630347876.db2.gz RUZNMRPZYSXXTG-PHIMTYICSA-N 1 0 253.342 2.326 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(O)c1 ZINC000895836666 630372796 /nfs/dbraw/zinc/37/27/96/630372796.db2.gz DKQWFDQBNASLOK-CYBMUJFWSA-N 1 0 289.297 2.447 20 10 CECDRO CCc1cccc(C[NH2+][C@H](COC)[C@H]2CCCOC2)c1O ZINC000895859401 630379828 /nfs/dbraw/zinc/37/98/28/630379828.db2.gz QYNYMGOAYOWTLW-JKSUJKDBSA-N 1 0 293.407 2.486 20 10 CECDRO Cc1nc([C@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)no1 ZINC000896230198 630504291 /nfs/dbraw/zinc/50/42/91/630504291.db2.gz IOQSMEJAKWFGAW-ZDUSSCGKSA-N 1 0 273.336 2.382 20 10 CECDRO Cc1cccc(O)c1C[NH2+]Cc1cc(N(C)C)ccn1 ZINC000896299252 630522655 /nfs/dbraw/zinc/52/26/55/630522655.db2.gz YCGIHBGDBBFBMY-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO CCN1CCC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1=O ZINC000896728514 630650047 /nfs/dbraw/zinc/65/00/47/630650047.db2.gz AJOSRFAAYYEVET-CYBMUJFWSA-N 1 0 296.798 2.455 20 10 CECDRO Cc1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(O)c1 ZINC000896847900 630688913 /nfs/dbraw/zinc/68/89/13/630688913.db2.gz KNFGLDVIBPIPSX-CFVMTHIKSA-N 1 0 259.349 2.381 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)CC(C)(C)O)c(O)c1 ZINC000824695748 635478646 /nfs/dbraw/zinc/47/86/46/635478646.db2.gz BZELSQNMZDPCPS-LLVKDONJSA-N 1 0 267.369 2.430 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c1 ZINC000897050452 630909932 /nfs/dbraw/zinc/90/99/32/630909932.db2.gz SJIQDDHKIVVIHC-UWEBFBLFSA-N 1 0 293.363 2.173 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000897051504 630910946 /nfs/dbraw/zinc/91/09/46/630910946.db2.gz XWWVJZNSZZBMEG-UWEBFBLFSA-N 1 0 277.364 2.473 20 10 CECDRO Oc1c(C[NH2+]CCO[C@H]2CCOC2)ccc2ccccc21 ZINC000897201957 630986796 /nfs/dbraw/zinc/98/67/96/630986796.db2.gz OSLGJOIRZWITPR-HNNXBMFYSA-N 1 0 287.359 2.441 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897257970 631023958 /nfs/dbraw/zinc/02/39/58/631023958.db2.gz FNBYNVVDGUPYAW-AWEZNQCLSA-N 1 0 291.391 2.207 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000801549360 631287663 /nfs/dbraw/zinc/28/76/63/631287663.db2.gz LELXSPCOIIYEPH-OAHLLOKOSA-N 1 0 290.407 2.473 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CSC1(C)C ZINC000801736047 631313473 /nfs/dbraw/zinc/31/34/73/631313473.db2.gz SQETZJNCZNRBQC-GFCCVEGCSA-N 1 0 253.367 2.384 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)c1ccccc1O ZINC000802313019 631423584 /nfs/dbraw/zinc/42/35/84/631423584.db2.gz DTXYONVFOSDFSA-TZMCWYRMSA-N 1 0 276.380 2.490 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CCN(C)C)c2c1c(F)ccc2O ZINC000806171463 631724129 /nfs/dbraw/zinc/72/41/29/631724129.db2.gz JMXXIMDYWSHNHI-ONGXEEELSA-N 1 0 252.333 2.231 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@@H](C)O)CC2)cc1 ZINC000806171227 631724305 /nfs/dbraw/zinc/72/43/05/631724305.db2.gz XAYGCHINXLBFFG-CHWSQXEVSA-N 1 0 278.396 2.023 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C(=O)NC ZINC000841752828 631725720 /nfs/dbraw/zinc/72/57/20/631725720.db2.gz CKUQRUOGYQXCFD-KCJUWKMLSA-N 1 0 270.760 2.221 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000843123846 631736954 /nfs/dbraw/zinc/73/69/54/631736954.db2.gz QIGYUXPLKLUOLV-MRXNPFEDSA-N 1 0 260.381 2.276 20 10 CECDRO CN1CC[C@@H]2C[N@H+](Cc3c(O)ccc4ccncc43)C[C@@H]21 ZINC000840132337 631942303 /nfs/dbraw/zinc/94/23/03/631942303.db2.gz LAIYNKZXDXANRB-CJNGLKHVSA-N 1 0 283.375 2.076 20 10 CECDRO CCOc1ccc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c(O)c1 ZINC000809692840 632127986 /nfs/dbraw/zinc/12/79/86/632127986.db2.gz ICAORMKWMKOESC-XBXGTLAGSA-N 1 0 265.353 2.400 20 10 CECDRO CCOc1ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)c(O)c1 ZINC000809743648 632136510 /nfs/dbraw/zinc/13/65/10/632136510.db2.gz YPKNTXDJYXQXAT-GFCCVEGCSA-N 1 0 293.285 2.194 20 10 CECDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000809778410 632144689 /nfs/dbraw/zinc/14/46/89/632144689.db2.gz OZRIVNPSWUTLHX-ZDUSSCGKSA-N 1 0 294.370 2.270 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000825934014 635734948 /nfs/dbraw/zinc/73/49/48/635734948.db2.gz FGTDAPKMSYLQRA-BGOOENEXSA-N 1 0 293.363 2.249 20 10 CECDRO COC[C@@](C)(O)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826029910 635748868 /nfs/dbraw/zinc/74/88/68/635748868.db2.gz MQDKCUPZDBACRD-AWEZNQCLSA-N 1 0 287.787 2.231 20 10 CECDRO CCCN(CC)C[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000810180555 632191924 /nfs/dbraw/zinc/19/19/24/632191924.db2.gz BEGKZJSFLUMQJB-LBPRGKRZSA-N 1 0 294.395 2.331 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@](C)(O)C2)cc1Cl ZINC000826131537 635764652 /nfs/dbraw/zinc/76/46/52/635764652.db2.gz VYXZOHAMFORKNS-GSJFWJNXSA-N 1 0 255.745 2.357 20 10 CECDRO CCO[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1O)CN(C)C ZINC000926962643 632389920 /nfs/dbraw/zinc/38/99/20/632389920.db2.gz RKLABNPWMXQYBD-KGLIPLIRSA-N 1 0 280.412 2.318 20 10 CECDRO COCC[C@@H](COC)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000811517144 632394167 /nfs/dbraw/zinc/39/41/67/632394167.db2.gz JLBGIFVKYOEZFX-ZDUSSCGKSA-N 1 0 287.787 2.495 20 10 CECDRO CCOCCOCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000927088007 632457152 /nfs/dbraw/zinc/45/71/52/632457152.db2.gz UADXIYJFLVMIJG-LBPRGKRZSA-N 1 0 283.368 2.105 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(C)cc1O ZINC000927125574 632473098 /nfs/dbraw/zinc/47/30/98/632473098.db2.gz AEFLQSGFOYWOGQ-XJKSGUPXSA-N 1 0 289.379 2.208 20 10 CECDRO COc1cc(O)c(C[NH2+]C/C=C\Cl)cc1OC ZINC000898434295 632495842 /nfs/dbraw/zinc/49/58/42/632495842.db2.gz VCUNLUKKQFMHQU-ARJAWSKDSA-N 1 0 257.717 2.252 20 10 CECDRO CN(C)c1ccc([C@@H](C[NH2+]Cc2cc[nH]c2)N(C)C)cc1 ZINC000898450072 632498789 /nfs/dbraw/zinc/49/87/89/632498789.db2.gz MQLCIMKZCJQLMQ-QGZVFWFLSA-N 1 0 286.423 2.473 20 10 CECDRO C[C@@H](NC(=[NH2+])NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC000899266814 632762407 /nfs/dbraw/zinc/76/24/07/632762407.db2.gz GGMSXXONVSXGNJ-CYBMUJFWSA-N 1 0 284.407 2.475 20 10 CECDRO COCC1([NH2+]Cc2cc(Cl)ccc2O)CCOCC1 ZINC000814302308 632822373 /nfs/dbraw/zinc/82/23/73/632822373.db2.gz RYZNISZHDSKQEB-UHFFFAOYSA-N 1 0 285.771 2.331 20 10 CECDRO Cc1cc(C[N@H+](C)[C@H]2CCCCNC2=O)ccc1N(C)C ZINC000815037577 632951689 /nfs/dbraw/zinc/95/16/89/632951689.db2.gz OZUWSGKICJILKN-INIZCTEOSA-N 1 0 289.423 2.162 20 10 CECDRO COC(=O)CN(Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC000815060537 632953407 /nfs/dbraw/zinc/95/34/07/632953407.db2.gz QTOQIGJFVQMZJI-UHFFFAOYSA-N 1 0 276.380 2.198 20 10 CECDRO Cc1cc(C[N@H+](C)Cc2cn[nH]c2)ccc1N(C)C ZINC000815072720 632954866 /nfs/dbraw/zinc/95/48/66/632954866.db2.gz SEOJSCGQSYLJHG-UHFFFAOYSA-N 1 0 258.369 2.416 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815094459 632957857 /nfs/dbraw/zinc/95/78/57/632957857.db2.gz BURGVDIUFJMTON-DOTOQJQBSA-N 1 0 292.423 2.345 20 10 CECDRO CCN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)NC)cc1 ZINC000815102545 632959572 /nfs/dbraw/zinc/95/95/72/632959572.db2.gz PZXBHWNTMFICAQ-CVEARBPZSA-N 1 0 289.423 2.147 20 10 CECDRO NC(=O)C[C@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000815154190 632973165 /nfs/dbraw/zinc/97/31/65/632973165.db2.gz DHAQQSHJZFUAIX-AWEZNQCLSA-N 1 0 270.332 2.099 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCCn2cncn2)c(O)c1 ZINC000815605534 633037016 /nfs/dbraw/zinc/03/70/16/633037016.db2.gz XXGITSAOVKJHSE-ZDUSSCGKSA-N 1 0 274.368 2.341 20 10 CECDRO CC[N@H+](CC(=O)NC)Cc1ccc2ccccc2c1O ZINC000816486118 633398869 /nfs/dbraw/zinc/39/88/69/633398869.db2.gz PFVMSVVCYNGRMO-UHFFFAOYSA-N 1 0 272.348 2.113 20 10 CECDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816593872 633419056 /nfs/dbraw/zinc/41/90/56/633419056.db2.gz 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C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817969899 633811479 /nfs/dbraw/zinc/81/14/79/633811479.db2.gz HWOLFWQFFVUMIG-DCAQKATOSA-N 1 0 279.340 2.221 20 10 CECDRO C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817968522 633812109 /nfs/dbraw/zinc/81/21/09/633812109.db2.gz KVEMXCHRSMCQLY-GHMZBOCLSA-N 1 0 279.340 2.093 20 10 CECDRO C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000817973281 633816655 /nfs/dbraw/zinc/81/66/55/633816655.db2.gz SJJDJLWSRVZRRS-JGVFFNPUSA-N 1 0 262.275 2.409 20 10 CECDRO CC[C@H]([NH3+])CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817980726 633823172 /nfs/dbraw/zinc/82/31/72/633823172.db2.gz WQAGZPJWMHTIJS-OCCSQVGLSA-N 1 0 295.402 2.050 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981676 633824868 /nfs/dbraw/zinc/82/48/68/633824868.db2.gz MIJGVPSZPHRYOB-DCAQKATOSA-N 1 0 279.340 2.078 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000818345972 633914500 /nfs/dbraw/zinc/91/45/00/633914500.db2.gz ZAINXKFDDBOAJX-CABCVRRESA-N 1 0 290.407 2.290 20 10 CECDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(C)ccc2O)n1 ZINC000818346011 633914677 /nfs/dbraw/zinc/91/46/77/633914677.db2.gz PUEFVOCLWBNGRY-NSHDSACASA-N 1 0 274.368 2.471 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCCOCC2)c(O)c1 ZINC000903228145 635026955 /nfs/dbraw/zinc/02/69/55/635026955.db2.gz POIXPSDOWSUIER-CQSZACIVSA-N 1 0 278.396 2.074 20 10 CECDRO C[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(Cl)cc1O ZINC000903228991 635027539 /nfs/dbraw/zinc/02/75/39/635027539.db2.gz UYLMADGKYKRFIN-GFCCVEGCSA-N 1 0 298.814 2.419 20 10 CECDRO C[C@H]1C[C@H]([NH2+]C2CC(CC(N)=O)C2)c2c1c(F)ccc2O ZINC000903260315 635033294 /nfs/dbraw/zinc/03/32/94/635033294.db2.gz OVBHOROECILEQL-FJUHHBQUSA-N 1 0 292.354 2.323 20 10 CECDRO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Cl)ccc1O ZINC000903261637 635034079 /nfs/dbraw/zinc/03/40/79/635034079.db2.gz ZOODGXMJLRRNSB-FKTRJACZSA-N 1 0 282.771 2.350 20 10 CECDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1=O ZINC000903387217 635097975 /nfs/dbraw/zinc/09/79/75/635097975.db2.gz DNGUNVXHJTYVAX-AAEUAGOBSA-N 1 0 292.379 2.062 20 10 CECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)CCO1 ZINC000823871923 635297773 /nfs/dbraw/zinc/29/77/73/635297773.db2.gz RPICZBHKWONUSS-QWHCGFSZSA-N 1 0 265.353 2.448 20 10 CECDRO COc1ccc2c(c1)CCN2C[C@H]([NH3+])CC(F)F ZINC000903872512 635321466 /nfs/dbraw/zinc/32/14/66/635321466.db2.gz FXUHBODTYBRNNO-SNVBAGLBSA-N 1 0 256.296 2.040 20 10 CECDRO CCOc1ccc(C[NH2+]CC[C@H](C)CCO)c(O)c1 ZINC000824517428 635440569 /nfs/dbraw/zinc/44/05/69/635440569.db2.gz UVGVFRYJGJAJOP-LBPRGKRZSA-N 1 0 267.369 2.289 20 10 CECDRO CC[C@@H]([NH2+]CC[C@](C)(O)COC)c1ccccc1O ZINC000824559320 635449911 /nfs/dbraw/zinc/44/99/11/635449911.db2.gz PEHLQUSATOVNGE-HIFRSBDPSA-N 1 0 267.369 2.220 20 10 CECDRO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000824576582 635455327 /nfs/dbraw/zinc/45/53/27/635455327.db2.gz PFONXVOQPWROIX-GFCCVEGCSA-N 1 0 298.770 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NTFRZCKLANHOHQ-LLVKDONJSA-N 1 0 294.782 2.207 20 10 CECDRO C[N@H+](Cc1ccc(Br)cc1O)C1CC(O)C1 ZINC000825514663 635650525 /nfs/dbraw/zinc/65/05/25/635650525.db2.gz ROHFDEYIOTWTLT-UHFFFAOYSA-N 1 0 286.169 2.110 20 10 CECDRO C[C@@H]1[C@H](C(=O)NCCCSc2nccs2)CC[N@@H+]1C ZINC000825822080 635717986 /nfs/dbraw/zinc/71/79/86/635717986.db2.gz CPGYZULSNRTPNX-GHMZBOCLSA-N 1 0 299.465 2.082 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)c2coc(C[NH3+])c2)cc1 ZINC000825942796 635736963 /nfs/dbraw/zinc/73/69/63/635736963.db2.gz LAANAQOKPHOFLK-UHFFFAOYSA-N 1 0 287.363 2.077 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000825973929 635739915 /nfs/dbraw/zinc/73/99/15/635739915.db2.gz TUVLFSZMPNLRNX-NVXWUHKLSA-N 1 0 289.423 2.276 20 10 CECDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1 ZINC000826822503 635855424 /nfs/dbraw/zinc/85/54/24/635855424.db2.gz VULVNOMLZXLJBB-WBVHZDCISA-N 1 0 292.423 2.202 20 10 CECDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc(F)ccc2O)C1 ZINC000826901931 635876462 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CCN(C/C=C\c1ccc(N(C)C)cc1)CC(=O)N(C)C ZINC000835026222 638029184 /nfs/dbraw/zinc/02/91/84/638029184.db2.gz SKHCCZIKBORITC-FPLPWBNLSA-N 1 0 289.423 2.176 20 10 CECDRO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000835025939 638029334 /nfs/dbraw/zinc/02/93/34/638029334.db2.gz ONGWQKWHEUDFPN-ZRUQZJFASA-N 1 0 259.397 2.060 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CC[NH2+]C(C)(C)C2)cc1 ZINC000835024892 638029411 /nfs/dbraw/zinc/02/94/11/638029411.db2.gz ALWIYYTUAMRMLF-WAYWQWQTSA-N 1 0 273.424 2.450 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835026670 638031258 /nfs/dbraw/zinc/03/12/58/638031258.db2.gz ZNQYMTYFASCBQE-XVWMLYKFSA-N 1 0 288.391 2.261 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@]2(O)CCSC2)cc1 ZINC000835043156 638035123 /nfs/dbraw/zinc/03/51/23/638035123.db2.gz NOJIRHKHAYZJPM-CWDCEQMOSA-N 1 0 292.448 2.223 20 10 CECDRO COCCOC[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835044358 638036119 /nfs/dbraw/zinc/03/61/19/638036119.db2.gz ZAORBXXMJHTUFR-NFAHFFEMSA-N 1 0 292.423 2.407 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1 ZINC000835053111 638040409 /nfs/dbraw/zinc/04/04/09/638040409.db2.gz BCQIUEOFUJYESF-QGZUEGPWSA-N 1 0 296.361 2.468 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1 ZINC000835055220 638040708 /nfs/dbraw/zinc/04/07/08/638040708.db2.gz XEUFDFZONFICPL-OGZRUICASA-N 1 0 274.408 2.469 20 10 CECDRO CC1(C)C[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000835061443 638044971 /nfs/dbraw/zinc/04/49/71/638044971.db2.gz ZYKVRPPEEDIAIV-LLVKDONJSA-N 1 0 293.363 2.416 20 10 CECDRO COc1ccc(N(C)C(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1F ZINC000876691697 650402513 /nfs/dbraw/zinc/40/25/13/650402513.db2.gz OLBCBADNHIJYCZ-VVEJJEBESA-N 1 0 292.354 2.353 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(OCCCO)CC1 ZINC000876771725 650427375 /nfs/dbraw/zinc/42/73/75/650427375.db2.gz XHTBUBISLQQCQK-UHFFFAOYSA-N 1 0 279.380 2.064 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000044684598 639352584 /nfs/dbraw/zinc/35/25/84/639352584.db2.gz KKJKXXVIDBPJAT-NEPJUHHUSA-N 1 0 276.380 2.288 20 10 CECDRO CC(=O)N(C)C1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164235646 639355306 /nfs/dbraw/zinc/35/53/06/639355306.db2.gz HLRHYPZGTPGFEL-UHFFFAOYSA-N 1 0 290.407 2.452 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000164233225 639355961 /nfs/dbraw/zinc/35/59/61/639355961.db2.gz BWSMVPALEOBBMB-ZYHUDNBSSA-N 1 0 286.169 2.158 20 10 CECDRO CCCNC(=O)CC[NH2+][C@H](CC)c1ccccc1O ZINC000045071808 639386913 /nfs/dbraw/zinc/38/69/13/639386913.db2.gz LXTPHSHXGJGURB-CYBMUJFWSA-N 1 0 264.369 2.349 20 10 CECDRO Cc1nccn1CCC[NH2+]Cc1c(C)cccc1O ZINC000876945779 650499518 /nfs/dbraw/zinc/49/95/18/650499518.db2.gz BYUVXZNUUKEKKW-UHFFFAOYSA-N 1 0 259.353 2.385 20 10 CECDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCOC3)CC2)cc1 ZINC000157313531 639481564 /nfs/dbraw/zinc/48/15/64/639481564.db2.gz OKRKQFGYAUIFQV-AWEZNQCLSA-N 1 0 290.407 2.290 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C2CC2)c(O)c1C ZINC000840882847 639570979 /nfs/dbraw/zinc/57/09/79/639570979.db2.gz KJRGMJIYSAOTKK-GFCCVEGCSA-N 1 0 297.420 2.237 20 10 CECDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000840889243 639574127 /nfs/dbraw/zinc/57/41/27/639574127.db2.gz QIOAMDKICPHITK-JTQLQIEISA-N 1 0 289.372 2.007 20 10 CECDRO COc1cccc(C[NH2+][C@](C)(CO)c2ccccc2)c1O ZINC000227212489 639577601 /nfs/dbraw/zinc/57/76/01/639577601.db2.gz ZUTIBSACAQJMQU-QGZVFWFLSA-N 1 0 287.359 2.398 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000840910696 639583355 /nfs/dbraw/zinc/58/33/55/639583355.db2.gz PXJHDZYIEQWTAT-UHFFFAOYSA-N 1 0 289.423 2.148 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)CC[C@H](C)O ZINC000840917770 639585548 /nfs/dbraw/zinc/58/55/48/639585548.db2.gz MMMQWYUDCYTKEY-ZDUSSCGKSA-N 1 0 250.386 2.264 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000227439301 639590830 /nfs/dbraw/zinc/59/08/30/639590830.db2.gz JBNLOUDFNSZFES-SECBINFHSA-N 1 0 269.650 2.058 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2([S@](C)=O)CC2)c(Cl)c1 ZINC000840942418 639595431 /nfs/dbraw/zinc/59/54/31/639595431.db2.gz LNCDRDLEBVZSMB-SFHVURJKSA-N 1 0 287.812 2.355 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000840948858 639597417 /nfs/dbraw/zinc/59/74/17/639597417.db2.gz LRULWVZKIVPIKC-CYBMUJFWSA-N 1 0 290.329 2.464 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@@H](C)O ZINC000840949673 639598257 /nfs/dbraw/zinc/59/82/57/639598257.db2.gz AMKWPRVMSCXZRS-DOMZBBRYSA-N 1 0 250.386 2.310 20 10 CECDRO OC[C@@H](C[NH2+]Cc1ccccc1O)c1ccc(F)cc1 ZINC000840962640 639602390 /nfs/dbraw/zinc/60/23/90/639602390.db2.gz INDNEVQFLYHNTI-CQSZACIVSA-N 1 0 275.323 2.397 20 10 CECDRO CN(C)c1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000841027040 639620155 /nfs/dbraw/zinc/62/01/55/639620155.db2.gz IXVCQCGUUKMTNG-XJKSGUPXSA-N 1 0 277.387 2.076 20 10 CECDRO CN(C)c1ncc(C[NH2+]CCc2ccc(N)cc2)s1 ZINC000841037746 639629021 /nfs/dbraw/zinc/62/90/21/639629021.db2.gz WMMGWIQJPWEUBR-UHFFFAOYSA-N 1 0 276.409 2.124 20 10 CECDRO Cc1ccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000841041787 639630214 /nfs/dbraw/zinc/63/02/14/639630214.db2.gz CDETVEOJHDYLAB-KRWDZBQOSA-N 1 0 284.407 2.246 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH2+]1 ZINC000841060717 639636401 /nfs/dbraw/zinc/63/64/01/639636401.db2.gz BLOIJMGDTSCYFY-KCJUWKMLSA-N 1 0 299.758 2.184 20 10 CECDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1cc(Cl)ccc1O ZINC000841059228 639637038 /nfs/dbraw/zinc/63/70/38/639637038.db2.gz NQFIGLQRCWZJMH-SKDRFNHKSA-N 1 0 254.761 2.133 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841069318 639642241 /nfs/dbraw/zinc/64/22/41/639642241.db2.gz UGEGKEDAZKGIAH-INIZCTEOSA-N 1 0 268.360 2.369 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841079325 639648501 /nfs/dbraw/zinc/64/85/01/639648501.db2.gz MDBHVIXMOZKUOL-GFCCVEGCSA-N 1 0 266.772 2.277 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@H]1CC[NH2+]C1(C)C ZINC000841086633 639651810 /nfs/dbraw/zinc/65/18/10/639651810.db2.gz OVNHBVCPSFYSDR-HNNXBMFYSA-N 1 0 261.413 2.291 20 10 CECDRO COc1ccc(CN[C@H](CC[NH3+])C(F)(F)F)cc1C ZINC000841089908 639652825 /nfs/dbraw/zinc/65/28/25/639652825.db2.gz BRUPOSBTITWLSL-GFCCVEGCSA-N 1 0 276.302 2.373 20 10 CECDRO CN(C)c1ccc(CN[C@H](CC[NH3+])C(F)(F)F)cc1F ZINC000841090986 639653752 /nfs/dbraw/zinc/65/37/52/639653752.db2.gz TUBQDWWQIFDLNT-GFCCVEGCSA-N 1 0 293.308 2.261 20 10 CECDRO CC1CC[NH+](CCNC(=O)Nc2ccc(N)cc2)CC1 ZINC000841302477 639733310 /nfs/dbraw/zinc/73/33/10/639733310.db2.gz YBXWMRVIOHSWNK-UHFFFAOYSA-N 1 0 276.384 2.122 20 10 CECDRO COc1ccc(N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000172006945 639739074 /nfs/dbraw/zinc/73/90/74/639739074.db2.gz CPQRVTYYJVKGOR-UHFFFAOYSA-N 1 0 290.407 2.244 20 10 CECDRO COc1cccc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1O ZINC000230154042 639742866 /nfs/dbraw/zinc/74/28/66/639742866.db2.gz WPKFLCTWONQEEX-HZMBPMFUSA-N 1 0 251.326 2.058 20 10 CECDRO C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccccc1O ZINC000230206252 639746623 /nfs/dbraw/zinc/74/66/23/639746623.db2.gz QZZFOKUVORUCME-QWRGUYRKSA-N 1 0 251.326 2.194 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(Cl)cc2O)n1 ZINC000841753982 639858587 /nfs/dbraw/zinc/85/85/87/639858587.db2.gz OWGXGICWCBKZIO-MRVPVSSYSA-N 1 0 280.759 2.365 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1OC ZINC000842627258 640124592 /nfs/dbraw/zinc/12/45/92/640124592.db2.gz UYHVLIVEBMTBSE-RISCZKNCSA-N 1 0 293.363 2.020 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CCCSc2nccs2)CO1 ZINC000842684033 640148942 /nfs/dbraw/zinc/14/89/42/640148942.db2.gz VYMLXZNKMXUJOG-UWVGGRQHSA-N 1 0 258.412 2.392 20 10 CECDRO Cc1ccc([C@@H](O)C[NH2+]Cc2c(C)cccc2O)o1 ZINC000877060302 650554377 /nfs/dbraw/zinc/55/43/77/650554377.db2.gz WTKAUKVAOKOWLS-AWEZNQCLSA-N 1 0 261.321 2.425 20 10 CECDRO CCN(C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000842786345 640182454 /nfs/dbraw/zinc/18/24/54/640182454.db2.gz YFHXGOQAPPCHJP-OAHLLOKOSA-N 1 0 292.427 2.192 20 10 CECDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1OC)c1ccc(N(C)C)cc1 ZINC000842911891 640220660 /nfs/dbraw/zinc/22/06/60/640220660.db2.gz ODQMTVHIFBGAKE-ARFHVFGLSA-N 1 0 278.396 2.207 20 10 CECDRO [NH3+][C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843047233 640252858 /nfs/dbraw/zinc/25/28/58/640252858.db2.gz OYHYVSFPLYFNPX-HNNXBMFYSA-N 1 0 259.397 2.210 20 10 CECDRO COC(=O)c1cc(CN2CCCc3cc(C[NH3+])ccc32)c[nH]1 ZINC000843058001 640259496 /nfs/dbraw/zinc/25/94/96/640259496.db2.gz KRKVKNULSOQOHH-UHFFFAOYSA-N 1 0 299.374 2.213 20 10 CECDRO COC(=O)C(C)(C)CCN1CCCc2cc(C[NH3+])ccc21 ZINC000843057703 640260450 /nfs/dbraw/zinc/26/04/50/640260450.db2.gz HAQMKAMHGBFKHN-UHFFFAOYSA-N 1 0 290.407 2.487 20 10 CECDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc(Cl)ccc1O ZINC000843065897 640265723 /nfs/dbraw/zinc/26/57/23/640265723.db2.gz RBMKRHMZANRRLO-AOOOYVTPSA-N 1 0 254.761 2.228 20 10 CECDRO CCOc1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(O)c1 ZINC000843105121 640282343 /nfs/dbraw/zinc/28/23/43/640282343.db2.gz PEGSQHBNDUNPCV-OKILXGFUSA-N 1 0 276.380 2.117 20 10 CECDRO C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843114530 640285701 /nfs/dbraw/zinc/28/57/01/640285701.db2.gz CYUXWNXMMZJRRX-CYBMUJFWSA-N 1 0 299.212 2.325 20 10 CECDRO C[N@H+](Cc1cccc(Cl)c1[O-])C1(C[NH3+])CCC1 ZINC000843124691 640290352 /nfs/dbraw/zinc/29/03/52/640290352.db2.gz FLKZYJXHISIWKY-UHFFFAOYSA-N 1 0 254.761 2.359 20 10 CECDRO COc1cccc(CN[C@@H]2CC[NH2+]C23CCCC3)c1O ZINC000843127238 640294779 /nfs/dbraw/zinc/29/47/79/640294779.db2.gz CXDJUDCJLKJPJZ-CQSZACIVSA-N 1 0 276.380 2.165 20 10 CECDRO COc1ccc(O)c(CN[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000843129405 640295254 /nfs/dbraw/zinc/29/52/54/640295254.db2.gz TWVCBAOOWGSQRP-HNNXBMFYSA-N 1 0 276.380 2.165 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000877094191 650569618 /nfs/dbraw/zinc/56/96/18/650569618.db2.gz IAGQRVDSDZSGDE-SWLSCSKDSA-N 1 0 260.381 2.273 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)c(O)c1 ZINC000877095509 650569827 /nfs/dbraw/zinc/56/98/27/650569827.db2.gz ZXBOYBBPAKJSCX-JSGCOSHPSA-N 1 0 260.381 2.415 20 10 CECDRO C[NH2+]C[C@@H]1CCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000843352639 640400380 /nfs/dbraw/zinc/40/03/80/640400380.db2.gz JLVITOOFAKARNN-ZDUSSCGKSA-N 1 0 296.798 2.432 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000843414899 640419584 /nfs/dbraw/zinc/41/95/84/640419584.db2.gz FBQVKKMCJGAXTA-HNNXBMFYSA-N 1 0 297.406 2.229 20 10 CECDRO Oc1ccc(-c2csc(NC3CC[NH2+]CC3)n2)cc1O ZINC000844268704 640648894 /nfs/dbraw/zinc/64/88/94/640648894.db2.gz RKDALPCJWKMSGF-UHFFFAOYSA-N 1 0 291.376 2.385 20 10 CECDRO COCC[C@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400655 640708181 /nfs/dbraw/zinc/70/81/81/640708181.db2.gz FOYVIKHIXMMXCF-AWEZNQCLSA-N 1 0 280.412 2.488 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CC[C@H]2CCOC2)cc1 ZINC000844401896 640708305 /nfs/dbraw/zinc/70/83/05/640708305.db2.gz PPFJKDQVTLBUJA-HNNXBMFYSA-N 1 0 292.423 2.490 20 10 CECDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccc(C)cc1O)C1CC1 ZINC000877171086 650608394 /nfs/dbraw/zinc/60/83/94/650608394.db2.gz YQAVRZDZBXDWBI-LBPRGKRZSA-N 1 0 277.364 2.474 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCC[NH2+]1 ZINC000154143929 640813147 /nfs/dbraw/zinc/81/31/47/640813147.db2.gz CXPOFBHJPMNYQR-CQSZACIVSA-N 1 0 276.380 2.273 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1CC[NH3+] ZINC000844902558 640859934 /nfs/dbraw/zinc/85/99/34/640859934.db2.gz QPALCNXJJMNRJU-DGCLKSJQSA-N 1 0 292.379 2.070 20 10 CECDRO CCOC(=O)/C=C/C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000930215770 641099715 /nfs/dbraw/zinc/09/97/15/641099715.db2.gz ZENHOVRMUYWWGF-MVIFTORASA-N 1 0 279.336 2.171 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cncnc2)c1 ZINC000845973260 641142101 /nfs/dbraw/zinc/14/21/01/641142101.db2.gz WXFHVHLRNVIOLD-SNVBAGLBSA-N 1 0 259.309 2.042 20 10 CECDRO COC[C@H](C)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000846053551 641166283 /nfs/dbraw/zinc/16/62/83/641166283.db2.gz ZJPVDSGIOWHCPH-CQSZACIVSA-N 1 0 280.412 2.346 20 10 CECDRO C[C@H](COCC1CC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000846072217 641173091 /nfs/dbraw/zinc/17/30/91/641173091.db2.gz DPFTVRCQDSSYBP-SNVBAGLBSA-N 1 0 279.336 2.026 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1O ZINC000846138207 641198183 /nfs/dbraw/zinc/19/81/83/641198183.db2.gz AAIFZGMXNGWGCO-NWDGAFQWSA-N 1 0 275.352 2.337 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@]2(C)CCOC2)c1O ZINC000846143411 641200382 /nfs/dbraw/zinc/20/03/82/641200382.db2.gz FKEDIWGEIAXHON-XHDPSFHLSA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCOC2)c1O ZINC000846144417 641200700 /nfs/dbraw/zinc/20/07/00/641200700.db2.gz JECYXKNDOWDSTN-MNOVXSKESA-N 1 0 251.326 2.230 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](CO)SC)c1O ZINC000846144736 641200879 /nfs/dbraw/zinc/20/08/79/641200879.db2.gz LWOROYHUDVINPI-OPQQBVKSSA-N 1 0 285.409 2.164 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c1O ZINC000846145793 641201969 /nfs/dbraw/zinc/20/19/69/641201969.db2.gz PGZMMEUHSNGPTL-DRZSPHRISA-N 1 0 265.353 2.355 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)c1O ZINC000846147423 641202294 /nfs/dbraw/zinc/20/22/94/641202294.db2.gz UXSHRAYCPYYMSD-IAQYHMDHSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)CCO)c1O ZINC000846149128 641203393 /nfs/dbraw/zinc/20/33/93/641203393.db2.gz VZZVNLFLUAZHNG-QWRGUYRKSA-N 1 0 253.342 2.070 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)c1O ZINC000846152851 641204286 /nfs/dbraw/zinc/20/42/86/641204286.db2.gz FBHJHVPEBZCGTE-FDMGOTLNSA-N 1 0 285.409 2.209 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)c1O ZINC000846165078 641209146 /nfs/dbraw/zinc/20/91/46/641209146.db2.gz KOIFMHIGLKRZOT-MDZLAQPJSA-N 1 0 265.353 2.476 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCc2cncn2C)c1O ZINC000846165074 641209657 /nfs/dbraw/zinc/20/96/57/641209657.db2.gz RZPVVSGPNXLEPW-NSHDSACASA-N 1 0 275.352 2.028 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1O ZINC000846168834 641210410 /nfs/dbraw/zinc/21/04/10/641210410.db2.gz MOVCUBPQSLTABO-NEPJUHHUSA-N 1 0 289.379 2.416 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](OC)C2CC2)c1O ZINC000846171456 641211962 /nfs/dbraw/zinc/21/19/62/641211962.db2.gz SUSNBBBUXMYOIB-QMTHXVAHSA-N 1 0 265.353 2.476 20 10 CECDRO C[C@@H]([NH2+]CCN1CCCC1=O)c1cc(Cl)ccc1O ZINC000846206230 641220857 /nfs/dbraw/zinc/22/08/57/641220857.db2.gz ODNVQCXCJSPCEQ-SNVBAGLBSA-N 1 0 282.771 2.319 20 10 CECDRO [NH3+]Cc1ccc(C(=O)NCCCSc2nccs2)o1 ZINC000237909481 641400209 /nfs/dbraw/zinc/40/02/09/641400209.db2.gz ZQHKDZKQUQUCNU-UHFFFAOYSA-N 1 0 297.405 2.107 20 10 CECDRO COc1ccc(N2CCN(c3ccccn3)CC2)c(OC)c1 ZINC000846745891 641408600 /nfs/dbraw/zinc/40/86/00/641408600.db2.gz SYOJPJGEIVNFRL-UHFFFAOYSA-N 1 0 299.374 2.425 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2cncn2C)c1 ZINC000846844929 641450714 /nfs/dbraw/zinc/45/07/14/641450714.db2.gz RNYLJNHFIGKLOS-LBPRGKRZSA-N 1 0 289.379 2.418 20 10 CECDRO CC(=O)N1CC[N@H+](Cc2cccc(C)c2O)C(C)(C)C1 ZINC000182085240 641622692 /nfs/dbraw/zinc/62/26/92/641622692.db2.gz FFQRAYZKVXCZET-UHFFFAOYSA-N 1 0 276.380 2.143 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn(C)c2C)c1 ZINC000182450962 641660813 /nfs/dbraw/zinc/66/08/13/641660813.db2.gz LILRBSMNZYIARW-SNVBAGLBSA-N 1 0 275.352 2.294 20 10 CECDRO C[C@@H]([NH2+]CCC1(C)OCCO1)c1cc(F)ccc1O ZINC000183904775 641812739 /nfs/dbraw/zinc/81/27/39/641812739.db2.gz PNWHOXFZADLMOY-SNVBAGLBSA-N 1 0 269.316 2.335 20 10 CECDRO CC[C@H]([NH2+]CCCn1ccnn1)c1ccc(N(C)C)cc1 ZINC000184269667 641850736 /nfs/dbraw/zinc/85/07/36/641850736.db2.gz HVLOCOHMQRJKRW-INIZCTEOSA-N 1 0 287.411 2.475 20 10 CECDRO CC(=O)N1CC[N@H+](Cc2cc(C)ccc2O)C(C)(C)C1 ZINC000184725755 641900074 /nfs/dbraw/zinc/90/00/74/641900074.db2.gz MRMCVEQKZUXHAD-UHFFFAOYSA-N 1 0 276.380 2.143 20 10 CECDRO CNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000072964107 642006858 /nfs/dbraw/zinc/00/68/58/642006858.db2.gz KTRKJTIBYUKBOE-UHFFFAOYSA-N 1 0 284.359 2.384 20 10 CECDRO C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000848558329 642051877 /nfs/dbraw/zinc/05/18/77/642051877.db2.gz OSCPPNPPFODKLT-YUTCNCBUSA-N 1 0 260.381 2.309 20 10 CECDRO CO[C@@](C)(CO)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000848561486 642054995 /nfs/dbraw/zinc/05/49/95/642054995.db2.gz ZKMHLTHWUYXLOS-QGZVFWFLSA-N 1 0 292.423 2.164 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)c1O ZINC000848905681 642182698 /nfs/dbraw/zinc/18/26/98/642182698.db2.gz LFHNILJNSCQYHG-BLVKFPJESA-N 1 0 281.421 2.298 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1O ZINC000848909476 642185019 /nfs/dbraw/zinc/18/50/19/642185019.db2.gz UZLJRFJHOPTGOQ-CABCVRRESA-N 1 0 295.423 2.202 20 10 CECDRO CCc1cccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)c1O ZINC000848912861 642187671 /nfs/dbraw/zinc/18/76/71/642187671.db2.gz XXESTCQIIGETFL-LLVKDONJSA-N 1 0 277.286 2.310 20 10 CECDRO CCc1cccc(C[NH2+]CCc2cnc(C)cn2)c1O ZINC000848915212 642188177 /nfs/dbraw/zinc/18/81/77/642188177.db2.gz SYMWXDWOEPBXAZ-UHFFFAOYSA-N 1 0 271.364 2.385 20 10 CECDRO CCc1cccc(CNCc2nnc(C3CC3)[nH]2)c1O ZINC000848916251 642189502 /nfs/dbraw/zinc/18/95/02/642189502.db2.gz RIAFIGOERZJWIE-UHFFFAOYSA-N 1 0 272.352 2.240 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1O ZINC000848916512 642189734 /nfs/dbraw/zinc/18/97/34/642189734.db2.gz WERUGDJTWVEKMT-DZGCQCFKSA-N 1 0 260.381 2.091 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1O ZINC000848917980 642191174 /nfs/dbraw/zinc/19/11/74/642191174.db2.gz MALIZMBLTRYAHU-CHWSQXEVSA-N 1 0 263.381 2.405 20 10 CECDRO CCOc1ccc(C[N@H+](C[C@@H](C)O)C2CC2)c(O)c1 ZINC000848928499 642199510 /nfs/dbraw/zinc/19/95/10/642199510.db2.gz FSQYUAGZKPKKLM-LLVKDONJSA-N 1 0 265.353 2.136 20 10 CECDRO CN1CCC[NH+]=C1NCc1ccc(N2CCCC2)cc1 ZINC000848993160 642213336 /nfs/dbraw/zinc/21/33/36/642213336.db2.gz BGDIMRLUMITZID-UHFFFAOYSA-N 1 0 272.396 2.068 20 10 CECDRO COc1ccc(CNC(=[NH2+])N2CCC(C)CC2)c(O)c1 ZINC000849025318 642238469 /nfs/dbraw/zinc/23/84/69/642238469.db2.gz YYOLWNWECNGXJJ-UHFFFAOYSA-N 1 0 277.368 2.157 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2cc[nH]c(=O)c2)cc1F ZINC000921622632 642281294 /nfs/dbraw/zinc/28/12/94/642281294.db2.gz FZCRYLFGAGFKIW-UHFFFAOYSA-N 1 0 275.327 2.282 20 10 CECDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)Cn1cncn1 ZINC000877477753 650739566 /nfs/dbraw/zinc/73/95/66/650739566.db2.gz GVWGCPGFOYLMCV-ZDUSSCGKSA-N 1 0 273.384 2.042 20 10 CECDRO Cc1c(C[N@H+](C)Cc2c(C)cccc2O)cnn1C ZINC000877487057 650745616 /nfs/dbraw/zinc/74/56/16/650745616.db2.gz UKODRMBYCCUKFM-UHFFFAOYSA-N 1 0 259.353 2.375 20 10 CECDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000921728640 642562712 /nfs/dbraw/zinc/56/27/12/642562712.db2.gz CRZCFNFSCMJPQO-INIZCTEOSA-N 1 0 261.365 2.262 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2c(Cl)c(C)nn2C)c1 ZINC000921741763 642569295 /nfs/dbraw/zinc/56/92/95/642569295.db2.gz ZZSHQADMMHDDHE-UHFFFAOYSA-N 1 0 295.770 2.386 20 10 CECDRO COc1cc(C[NH2+]CC[S@](C)=O)c(O)c(C(C)(C)C)c1 ZINC000850138209 642591500 /nfs/dbraw/zinc/59/15/00/642591500.db2.gz AMKUMMYGMBBPMA-FQEVSTJZSA-N 1 0 299.436 2.166 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000850138451 642592489 /nfs/dbraw/zinc/59/24/89/642592489.db2.gz FOOXIPZPIXRJBY-DAXOMENPSA-N 1 0 290.407 2.348 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CO)C2CCC2)c(O)c1 ZINC000850349881 642676625 /nfs/dbraw/zinc/67/66/25/642676625.db2.gz LBQVXBXMZYHYEZ-CQSZACIVSA-N 1 0 265.353 2.042 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C2CCC2)cc1F ZINC000850351091 642677696 /nfs/dbraw/zinc/67/76/96/642677696.db2.gz YDCYSINIQUVJLJ-AWEZNQCLSA-N 1 0 266.360 2.142 20 10 CECDRO c1cnc(NCCC[NH2+]Cc2ccc3c(c2)CCCO3)nc1 ZINC000921820935 642690818 /nfs/dbraw/zinc/69/08/18/642690818.db2.gz DEGXHPHNULJKJS-UHFFFAOYSA-N 1 0 298.390 2.393 20 10 CECDRO COC(=O)N(C)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000850389822 642696584 /nfs/dbraw/zinc/69/65/84/642696584.db2.gz IQSIWCAASTXQQI-AATRIKPKSA-N 1 0 291.395 2.054 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c(O)c1 ZINC000850389070 642696618 /nfs/dbraw/zinc/69/66/18/642696618.db2.gz SRWNVKUOLNINIY-GJZGRUSLSA-N 1 0 277.364 2.184 20 10 CECDRO OC1CCN(c2ccc(C[NH2+]CC3(F)CC3)cc2)CC1 ZINC000850406872 642702407 /nfs/dbraw/zinc/70/24/07/642702407.db2.gz XMVBVFQAYJOKSQ-UHFFFAOYSA-N 1 0 278.371 2.239 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000877543733 650779063 /nfs/dbraw/zinc/77/90/63/650779063.db2.gz FXWJYBKSBLVQDB-CYBMUJFWSA-N 1 0 257.337 2.344 20 10 CECDRO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccccc1O ZINC000850495682 642731825 /nfs/dbraw/zinc/73/18/25/642731825.db2.gz HFRMVJJJXVXNOC-UGZDLDLSSA-N 1 0 295.326 2.354 20 10 CECDRO COC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000850493880 642732002 /nfs/dbraw/zinc/73/20/02/642732002.db2.gz KWKQGCLWDQAQRZ-LSDHHAIUSA-N 1 0 291.391 2.411 20 10 CECDRO C[C@H]([NH2+]C/C=C\CO)c1ccc(Br)cc1O ZINC000850507912 642735039 /nfs/dbraw/zinc/73/50/39/642735039.db2.gz IXKQIKFBZNZGSM-XADBCAIWSA-N 1 0 286.169 2.354 20 10 CECDRO OC1CCN(c2ccc(C[NH+]3CC4(CC4)C3)cc2)CC1 ZINC000877556455 650787073 /nfs/dbraw/zinc/78/70/73/650787073.db2.gz RIKAZHFMGJKZHZ-UHFFFAOYSA-N 1 0 272.392 2.244 20 10 CECDRO FC(F)COCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922043556 642853883 /nfs/dbraw/zinc/85/38/83/642853883.db2.gz BVDNWUJOVKQSIZ-UHFFFAOYSA-N 1 0 271.307 2.383 20 10 CECDRO COc1cccnc1C[NH2+]Cc1c(C)cccc1O ZINC000877574145 650796055 /nfs/dbraw/zinc/79/60/55/650796055.db2.gz BJBWUYHNXBFAPH-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(CCF)c2)c1 ZINC000922217253 642963555 /nfs/dbraw/zinc/96/35/55/642963555.db2.gz NITBELPKZHQVAN-NSHDSACASA-N 1 0 293.342 2.418 20 10 CECDRO Cc1ccc(C[N@H+]2CCCc3c(cnn3C)C2)c(O)c1 ZINC000877587452 650802620 /nfs/dbraw/zinc/80/26/20/650802620.db2.gz LTFRLKVCBFUYCR-UHFFFAOYSA-N 1 0 271.364 2.383 20 10 CECDRO Cc1ccc(C[NH+]2CCC(Cn3cnnc3)CC2)c(O)c1 ZINC000877612434 650813831 /nfs/dbraw/zinc/81/38/31/650813831.db2.gz ISOCSIDPGWQBNC-UHFFFAOYSA-N 1 0 286.379 2.204 20 10 CECDRO Cc1cc(CC[NH2+]Cc2cc(Cl)ccc2O)nn1C ZINC000922690439 643206017 /nfs/dbraw/zinc/20/60/17/643206017.db2.gz WAGWUJCKHSSOJR-UHFFFAOYSA-N 1 0 279.771 2.420 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000877636211 650826573 /nfs/dbraw/zinc/82/65/73/650826573.db2.gz QGMWIBPERBQZAH-HNNXBMFYSA-N 1 0 290.407 2.044 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c1O ZINC000922876458 643302945 /nfs/dbraw/zinc/30/29/45/643302945.db2.gz YJFMJJBXAODCJA-DEZZGGKRSA-N 1 0 293.363 2.173 20 10 CECDRO Cc1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)c(O)c1 ZINC000877640977 650829518 /nfs/dbraw/zinc/82/95/18/650829518.db2.gz TVOARGFNXVOPGD-UHFFFAOYSA-N 1 0 290.363 2.117 20 10 CECDRO CCOCCOCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000922940986 643466171 /nfs/dbraw/zinc/46/61/71/643466171.db2.gz JXSQXAJZGYCAPZ-UHFFFAOYSA-N 1 0 267.369 2.152 20 10 CECDRO CCC/C=C\C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792484 643553437 /nfs/dbraw/zinc/55/34/37/643553437.db2.gz XEVIEDZPDUWBHC-XHPSBEMXSA-N 1 0 275.396 2.225 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1OC ZINC000877683319 650848170 /nfs/dbraw/zinc/84/81/70/650848170.db2.gz WEQTYNYDNALXQX-CKYFFXLPSA-N 1 0 281.352 2.065 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCOCCF)cc1 ZINC000853091717 643648983 /nfs/dbraw/zinc/64/89/83/643648983.db2.gz NXWOSPNQWWPCEC-ARJAWSKDSA-N 1 0 266.360 2.342 20 10 CECDRO Cc1cc(CN(C)[C@@H](C[NH3+])C2CC2)ccc1N(C)C ZINC000923357508 643676163 /nfs/dbraw/zinc/67/61/63/643676163.db2.gz PAMYRTSMWVCKDI-INIZCTEOSA-N 1 0 261.413 2.230 20 10 CECDRO Oc1cccc2c1C[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000877703560 650860518 /nfs/dbraw/zinc/86/05/18/650860518.db2.gz OMURZWVWWBGYKA-UHFFFAOYSA-N 1 0 285.299 2.342 20 10 CECDRO C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](C)Cc2ccccc2O)C1 ZINC000111236501 643734323 /nfs/dbraw/zinc/73/43/23/643734323.db2.gz NGMNSPGTJYXLGY-KBPBESRZSA-N 1 0 290.407 2.329 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC3(COC3)C1)CCC2 ZINC000853595726 643827128 /nfs/dbraw/zinc/82/71/28/643827128.db2.gz VZUMOENAPXANAM-UHFFFAOYSA-N 1 0 259.349 2.103 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCc3nccnc3C2)cc1C ZINC000853601885 643830274 /nfs/dbraw/zinc/83/02/74/643830274.db2.gz BDBCVRYKWYURIM-UHFFFAOYSA-N 1 0 269.348 2.357 20 10 CECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000877722637 650870745 /nfs/dbraw/zinc/87/07/45/650870745.db2.gz DCJATGCTLZQSFU-KEYYUXOJSA-N 1 0 287.359 2.053 20 10 CECDRO CCCC[N@H+](C)CCNC(=O)N(C)Cc1ccccc1O ZINC000112465045 644116353 /nfs/dbraw/zinc/11/63/53/644116353.db2.gz TYALIABLFRMXDB-UHFFFAOYSA-N 1 0 293.411 2.266 20 10 CECDRO CCOC(=O)CC(C)(C)C[NH2+]Cc1cccc(OC)c1O ZINC000839095319 644145654 /nfs/dbraw/zinc/14/56/54/644145654.db2.gz CMZKKUBUCVBDMC-UHFFFAOYSA-N 1 0 295.379 2.470 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c1O ZINC000877753102 650896994 /nfs/dbraw/zinc/89/69/94/650896994.db2.gz MRTRIBXIZYCSED-CYBMUJFWSA-N 1 0 279.380 2.384 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CC2(C1)CCCOC2 ZINC000839137214 644171077 /nfs/dbraw/zinc/17/10/77/644171077.db2.gz AGTLTYIGUZUJNK-UHFFFAOYSA-N 1 0 251.301 2.144 20 10 CECDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H](C)c1ccccc1O ZINC000877755642 650898847 /nfs/dbraw/zinc/89/88/47/650898847.db2.gz JNEJWZZLYUNATF-JHJVBQTASA-N 1 0 276.380 2.490 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000877797367 650913683 /nfs/dbraw/zinc/91/36/83/650913683.db2.gz UPDORBIBUVAWCA-LBPRGKRZSA-N 1 0 279.380 2.384 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1 ZINC000877806920 650916968 /nfs/dbraw/zinc/91/69/68/650916968.db2.gz SVFKJDLCNOZKRC-HZUKXOBISA-N 1 0 277.364 2.448 20 10 CECDRO CCc1cccc(C[NH2+]CCC[C@H]2CCOC2=O)c1O ZINC000877807997 650917610 /nfs/dbraw/zinc/91/76/10/650917610.db2.gz VOFONBSEVCNBGV-ZDUSSCGKSA-N 1 0 277.364 2.388 20 10 CECDRO CC(C)C(=O)NCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756371652 644637240 /nfs/dbraw/zinc/63/72/40/644637240.db2.gz MIGASMHWYMTHJX-CMPLNLGQSA-N 1 0 294.370 2.441 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COCC2CC2)c(O)c1C ZINC000756511029 644657072 /nfs/dbraw/zinc/65/70/72/644657072.db2.gz KXBPDMOFEYEBQY-ZFWWWQNUSA-N 1 0 293.407 2.447 20 10 CECDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Cl)ccc1O ZINC000756535698 644659638 /nfs/dbraw/zinc/65/96/38/644659638.db2.gz PUYJDHVVGCDDSJ-NWDGAFQWSA-N 1 0 298.814 2.417 20 10 CECDRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000756565204 644668646 /nfs/dbraw/zinc/66/86/46/644668646.db2.gz WUVQCBNLKACSKZ-VXGBXAGGSA-N 1 0 283.343 2.235 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](O)C(C)C)c1 ZINC000756596913 644673527 /nfs/dbraw/zinc/67/35/27/644673527.db2.gz ILJCOMGYRURMTH-RISCZKNCSA-N 1 0 267.369 2.458 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(N(C)C)n2)c1 ZINC000756787968 644692506 /nfs/dbraw/zinc/69/25/06/644692506.db2.gz ACXHHMRONNFFDE-GFCCVEGCSA-N 1 0 286.379 2.407 20 10 CECDRO CCN(C)c1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1 ZINC000839651774 644763185 /nfs/dbraw/zinc/76/31/85/644763185.db2.gz RDNNLYYSBAYTLI-DOTOQJQBSA-N 1 0 292.423 2.020 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1O ZINC000839668894 644764047 /nfs/dbraw/zinc/76/40/47/644764047.db2.gz JZVFRRIFDSJDPF-CMPLNLGQSA-N 1 0 295.354 2.327 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CC[NH2+]CC2(C)C)cc1 ZINC000843054503 644772105 /nfs/dbraw/zinc/77/21/05/644772105.db2.gz OODRUNNPFHLGTF-WAYWQWQTSA-N 1 0 273.424 2.450 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1CO ZINC000857061646 644806161 /nfs/dbraw/zinc/80/61/61/644806161.db2.gz SVEUIABNSKDXOG-MNOVXSKESA-N 1 0 269.772 2.496 20 10 CECDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(F)ccc1O ZINC000757919997 644857390 /nfs/dbraw/zinc/85/73/90/644857390.db2.gz OEYPFFVGKIBKBU-AWEZNQCLSA-N 1 0 269.316 2.353 20 10 CECDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000757926798 644858036 /nfs/dbraw/zinc/85/80/36/644858036.db2.gz OTCRPUFEVXPALZ-INIZCTEOSA-N 1 0 295.379 2.061 20 10 CECDRO [NH3+][C@]12CCC[C@H]1CN(Cc1cc(Cl)ccc1O)C2 ZINC000857226166 644858548 /nfs/dbraw/zinc/85/85/48/644858548.db2.gz GSDKSPAWYWWTLU-FZMZJTMJSA-N 1 0 266.772 2.359 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccnn2C)c(O)c1C ZINC000858435145 645158203 /nfs/dbraw/zinc/15/82/03/645158203.db2.gz XCFXLWMBDDBVHC-OCCSQVGLSA-N 1 0 289.379 2.127 20 10 CECDRO CC[C@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(C)cc1O ZINC000858435139 645158834 /nfs/dbraw/zinc/15/88/34/645158834.db2.gz WZJSMKNUUHLJHB-UONOGXRCSA-N 1 0 289.379 2.208 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1 ZINC000858494423 645180679 /nfs/dbraw/zinc/18/06/79/645180679.db2.gz RFWZVQIAAVBPCA-MRVWCRGKSA-N 1 0 275.396 2.057 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1COCCN1C)c1cc(Cl)ccc1O ZINC000858522827 645190747 /nfs/dbraw/zinc/19/07/47/645190747.db2.gz IHGAIRJYPPZJLL-GXTWGEPZSA-N 1 0 298.814 2.417 20 10 CECDRO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2ccccc2O)n1 ZINC000858592078 645216145 /nfs/dbraw/zinc/21/61/45/645216145.db2.gz RRBQYGRCOYENIR-IUPBHXKESA-N 1 0 289.335 2.264 20 10 CECDRO Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000858592077 645216304 /nfs/dbraw/zinc/21/63/04/645216304.db2.gz RRBQYGRCOYENIR-BHYNMZESSA-N 1 0 289.335 2.264 20 10 CECDRO Oc1cccc2c1C[C@@H]([NH2+]Cc1cc(F)ccc1O)C2 ZINC000763482289 645549618 /nfs/dbraw/zinc/54/96/18/645549618.db2.gz YJIHFSDWIZIKHC-ZDUSSCGKSA-N 1 0 273.307 2.494 20 10 CECDRO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc(F)ccc1O ZINC000763559465 645557802 /nfs/dbraw/zinc/55/78/02/645557802.db2.gz QPGNUPFHWGBXJE-XHDPSFHLSA-N 1 0 297.370 2.360 20 10 CECDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000765607947 645791705 /nfs/dbraw/zinc/79/17/05/645791705.db2.gz FVVNTXYXUXSSJX-ZDUSSCGKSA-N 1 0 290.407 2.358 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](CC(N)=O)C2CCCC2)c1 ZINC000768257132 646100703 /nfs/dbraw/zinc/10/07/03/646100703.db2.gz HQNAUGHZXLWDEZ-UHFFFAOYSA-N 1 0 292.379 2.021 20 10 CECDRO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H](C)S1 ZINC000768465238 646128604 /nfs/dbraw/zinc/12/86/04/646128604.db2.gz DJTZYHQLFUYBAI-RBZYPMLTSA-N 1 0 295.404 2.144 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1C ZINC000770751795 646434087 /nfs/dbraw/zinc/43/40/87/646434087.db2.gz DELLRQKNFQWMHY-DOTOQJQBSA-N 1 0 291.391 2.431 20 10 CECDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862419205 646451651 /nfs/dbraw/zinc/45/16/51/646451651.db2.gz PAFMUMDDCVPEOL-JGZJWPJOSA-N 1 0 298.333 2.072 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000862428131 646456551 /nfs/dbraw/zinc/45/65/51/646456551.db2.gz LMZIFABIOXGZHO-AWEZNQCLSA-N 1 0 276.380 2.007 20 10 CECDRO C[C@](CO)([NH2+]Cc1cc(F)ccc1O)c1cccc(O)c1 ZINC000862432439 646457428 /nfs/dbraw/zinc/45/74/28/646457428.db2.gz CMDRXUCTVJSTDT-MRXNPFEDSA-N 1 0 291.322 2.234 20 10 CECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000862487103 646477183 /nfs/dbraw/zinc/47/71/83/646477183.db2.gz MAVLDLRAWQBBAZ-HNNXBMFYSA-N 1 0 287.359 2.363 20 10 CECDRO COc1ccc(N2CCC([NH2+]CC(C)(C)CO)CC2)cc1 ZINC000773072971 646703365 /nfs/dbraw/zinc/70/33/65/646703365.db2.gz QLNPQVAZDAJJOS-UHFFFAOYSA-N 1 0 292.423 2.272 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)cc1C(C)C ZINC000863338101 646706655 /nfs/dbraw/zinc/70/66/55/646706655.db2.gz OHEWUMYTFPLGSV-UKRRQHHQSA-N 1 0 289.375 2.429 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccccc1O ZINC000775130646 646926184 /nfs/dbraw/zinc/92/61/84/646926184.db2.gz NPBPFTHKUUMYJL-GFCCVEGCSA-N 1 0 295.342 2.251 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CCO)COC)c1cc(Cl)ccc1O ZINC000775509669 646961473 /nfs/dbraw/zinc/96/14/73/646961473.db2.gz OGAZRLRUMZKZDR-WCQYABFASA-N 1 0 287.787 2.484 20 10 CECDRO CCN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(OC)cc1 ZINC000775987419 647014805 /nfs/dbraw/zinc/01/48/05/647014805.db2.gz WEASUFUQZKNXIK-CALCHBBNSA-N 1 0 290.407 2.385 20 10 CECDRO CCC(CC)NC(=[NH2+])NCc1cc(OC)ccc1O ZINC000864460895 647015615 /nfs/dbraw/zinc/01/56/15/647015615.db2.gz LDGXXGYGKRYGKG-UHFFFAOYSA-N 1 0 265.357 2.203 20 10 CECDRO CO[C@H](C[NH2+]Cc1cccc(C)c1O)C(F)(F)F ZINC000776175104 647031624 /nfs/dbraw/zinc/03/16/24/647031624.db2.gz UWQWUQJYFSJGKX-SNVBAGLBSA-N 1 0 263.259 2.368 20 10 CECDRO COC(=O)CC1([NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000779112350 647288683 /nfs/dbraw/zinc/28/86/83/647288683.db2.gz NEJHHPSFOMNQSD-UHFFFAOYSA-N 1 0 267.300 2.107 20 10 CECDRO CCOc1ccc(C[NH2+]CC2(OC)CCC2)c(O)c1 ZINC000779984860 647378145 /nfs/dbraw/zinc/37/81/45/647378145.db2.gz LAQQFSNTVHFURH-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@@H](O)C(F)F)cc1C ZINC000865689051 647423240 /nfs/dbraw/zinc/42/32/40/647423240.db2.gz VJYGIOIYTDSIHD-LLVKDONJSA-N 1 0 259.296 2.115 20 10 CECDRO Cc1ccc(O)c(C[N@H+](C)CC(=O)NC(C)(C)C)c1 ZINC000120693193 647431165 /nfs/dbraw/zinc/43/11/65/647431165.db2.gz KDLYJENVCHAXKP-UHFFFAOYSA-N 1 0 264.369 2.047 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2CCC[C@@H]2O)ccc1OC ZINC000865736914 647445497 /nfs/dbraw/zinc/44/54/97/647445497.db2.gz UORQEQZWNDUNCK-GJZGRUSLSA-N 1 0 279.380 2.235 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCC(C)(C)OC ZINC000865755979 647453480 /nfs/dbraw/zinc/45/34/80/647453480.db2.gz UKHWXAJXWDBQKN-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CC)C[C@@H](C)O)c(O)c1 ZINC000865872360 647514734 /nfs/dbraw/zinc/51/47/34/647514734.db2.gz LCKYHJAPORBJLT-DGCLKSJQSA-N 1 0 267.369 2.430 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1OC ZINC000783545876 647728737 /nfs/dbraw/zinc/72/87/37/647728737.db2.gz VAWRVJXROFMYDR-TUAOUCFPSA-N 1 0 295.379 2.407 20 10 CECDRO CN(CC[C@@H]1CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000783667714 647746066 /nfs/dbraw/zinc/74/60/66/647746066.db2.gz JJMZDTOVHDVHOI-OAHLLOKOSA-N 1 0 292.423 2.490 20 10 CECDRO COCCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000783714788 647750838 /nfs/dbraw/zinc/75/08/38/647750838.db2.gz CXPCUQDNJAKQMS-AWEZNQCLSA-N 1 0 296.386 2.129 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c(O)c1 ZINC000783728979 647752544 /nfs/dbraw/zinc/75/25/44/647752544.db2.gz KMVPGXPXNWFCDZ-HNNXBMFYSA-N 1 0 279.380 2.384 20 10 CECDRO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(Cl)ccc1O ZINC000866416660 647779975 /nfs/dbraw/zinc/77/99/75/647779975.db2.gz YZDHHFIEHNETBY-KKZNHRDASA-N 1 0 255.745 2.467 20 10 CECDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868013451 648021159 /nfs/dbraw/zinc/02/11/59/648021159.db2.gz HMCNXQDQEZZNQF-QWHCGFSZSA-N 1 0 291.395 2.237 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CCCCO)c2c1c(F)ccc2O ZINC000786939684 648057975 /nfs/dbraw/zinc/05/79/75/648057975.db2.gz DZEFLXKQHLYTJX-MWLCHTKSSA-N 1 0 253.317 2.442 20 10 CECDRO COC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@H]1CCCO1 ZINC000788534684 648199993 /nfs/dbraw/zinc/19/99/93/648199993.db2.gz IEMHULIANNNXDB-GOEBONIOSA-N 1 0 279.380 2.293 20 10 CECDRO C[C@@H](O)CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000789304882 648284638 /nfs/dbraw/zinc/28/46/38/648284638.db2.gz GKIUNMMJPAVGAX-OAHLLOKOSA-N 1 0 292.423 2.116 20 10 CECDRO Cc1conc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000790244990 648397241 /nfs/dbraw/zinc/39/72/41/648397241.db2.gz CVHBLYMLKYVMHM-UHFFFAOYSA-N 1 0 286.379 2.347 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000792199328 648623639 /nfs/dbraw/zinc/62/36/39/648623639.db2.gz DFWGVWFHVLDHDZ-YPMHNXCESA-N 1 0 263.337 2.132 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000793245916 648729227 /nfs/dbraw/zinc/72/92/27/648729227.db2.gz DAWRMCQTXGWQQM-OAHLLOKOSA-N 1 0 265.353 2.138 20 10 CECDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC1CCC1 ZINC000794688551 648903850 /nfs/dbraw/zinc/90/38/50/648903850.db2.gz OTRNOAMEGFOZTJ-OAHLLOKOSA-N 1 0 277.364 2.440 20 10 CECDRO C[C@H](NC(=O)CCCCC[NH3+])c1ccccc1O ZINC000870988390 648971222 /nfs/dbraw/zinc/97/12/22/648971222.db2.gz OGMOGPGIAHVMJP-NSHDSACASA-N 1 0 250.342 2.089 20 10 CECDRO C[C@H](NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)c1ccccc1O ZINC000870988490 648971296 /nfs/dbraw/zinc/97/12/96/648971296.db2.gz QRXBUGPRYXNQGP-GDLCADMTSA-N 1 0 274.364 2.100 20 10 CECDRO COc1cc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(O)cc1C ZINC000872723235 649469390 /nfs/dbraw/zinc/46/93/90/649469390.db2.gz KCLPHBZQTGZKDN-ZFWWWQNUSA-N 1 0 290.407 2.235 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H](CO)CCOC)cc1C ZINC000873120313 649562255 /nfs/dbraw/zinc/56/22/55/649562255.db2.gz RBVADIAEEKFOOC-OAHLLOKOSA-N 1 0 281.396 2.271 20 10 CECDRO CN(C)c1ccc(C[N@H+](Cc2cnc(N)cn2)C2CC2)cc1 ZINC000873202431 649587496 /nfs/dbraw/zinc/58/74/96/649587496.db2.gz REWROCOJOJBACT-UHFFFAOYSA-N 1 0 297.406 2.289 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000873860248 649726980 /nfs/dbraw/zinc/72/69/80/649726980.db2.gz GESDUVGQJQTQQJ-OAHLLOKOSA-N 1 0 289.423 2.053 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000020208541 649739882 /nfs/dbraw/zinc/73/98/82/649739882.db2.gz IEBBKHYDBSJTRF-WMLDXEAASA-N 1 0 290.407 2.180 20 10 CECDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccccc1O ZINC000879648104 651334991 /nfs/dbraw/zinc/33/49/91/651334991.db2.gz YMUBGQLQYIXVEP-QWHCGFSZSA-N 1 0 276.380 2.301 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccn1)c1ccccc1O ZINC000879649772 651335402 /nfs/dbraw/zinc/33/54/02/651335402.db2.gz GTLCKECKKZMDSG-IAQYHMDHSA-N 1 0 258.321 2.171 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccccc1O ZINC000879648529 651335450 /nfs/dbraw/zinc/33/54/50/651335450.db2.gz SHSDWQBLHVSEES-LLVKDONJSA-N 1 0 288.391 2.348 20 10 CECDRO C[C@H]([NH2+]CCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000879650173 651335658 /nfs/dbraw/zinc/33/56/58/651335658.db2.gz NCICXCDKOFQFGR-MJBXVCDLSA-N 1 0 278.396 2.152 20 10 CECDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000128336069 651420673 /nfs/dbraw/zinc/42/06/73/651420673.db2.gz NCNRIPJIRZTOBQ-RYUDHWBXSA-N 1 0 255.745 2.295 20 10 CECDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000128336507 651421064 /nfs/dbraw/zinc/42/10/64/651421064.db2.gz NCNRIPJIRZTOBQ-NWDGAFQWSA-N 1 0 255.745 2.295 20 10 CECDRO CC[C@@H]([NH3+])c1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881377199 651702162 /nfs/dbraw/zinc/70/21/62/651702162.db2.gz IGQOQGUDNXKJSV-CYBMUJFWSA-N 1 0 273.384 2.111 20 10 CECDRO CCn1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1=O ZINC000883106448 652365025 /nfs/dbraw/zinc/36/50/25/652365025.db2.gz SQGFMHKKEZSROM-UHFFFAOYSA-N 1 0 294.301 2.142 20 10 CECDRO OC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccoc1 ZINC000883276176 652421279 /nfs/dbraw/zinc/42/12/79/652421279.db2.gz HDFGNWVTHYNBPT-HIFRSBDPSA-N 1 0 287.359 2.413 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@@H]2CCN2CC)ccc1OC ZINC000883361264 652443593 /nfs/dbraw/zinc/44/35/93/652443593.db2.gz YBHQRHHLQAHMKS-INIZCTEOSA-N 1 0 292.423 2.416 20 10 CECDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)c1ccc(N)cc1 ZINC000884441886 652852574 /nfs/dbraw/zinc/85/25/74/652852574.db2.gz RUIRBTSGPAMDAR-ZDUSSCGKSA-N 1 0 263.385 2.241 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2(CO)CCCC2)cc1 ZINC000135062497 652918839 /nfs/dbraw/zinc/91/88/39/652918839.db2.gz XUCWNHFFSPVJSK-UHFFFAOYSA-N 1 0 262.397 2.395 20 10 CECDRO C[C@]1([NH3+])CCN(Cc2cc3ccccc3cc2O)C1 ZINC001204801654 806125228 /nfs/dbraw/zinc/12/52/28/806125228.db2.gz RWQOJXHYAXTQCG-INIZCTEOSA-N 1 0 256.349 2.469 20 10 CECDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000037807404 802511549 /nfs/dbraw/zinc/51/15/49/802511549.db2.gz VFSGQGRCUZGBJT-CJNGLKHVSA-N 1 0 291.439 2.475 20 10 CECDRO C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703330729 809639955 /nfs/dbraw/zinc/63/99/55/809639955.db2.gz YNBQXIDPCYICNN-VIFPVBQESA-N 1 0 258.312 2.100 20 10 CECDRO C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccccc1O ZINC000690724251 802880807 /nfs/dbraw/zinc/88/08/07/802880807.db2.gz DQSFWHOYFDLCGS-BXKDBHETSA-N 1 0 257.280 2.467 20 10 CECDRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000693518305 803019005 /nfs/dbraw/zinc/01/90/05/803019005.db2.gz YUIPZUQGVKLPJY-LLVKDONJSA-N 1 0 283.393 2.010 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1O ZINC001140748218 803514250 /nfs/dbraw/zinc/51/42/50/803514250.db2.gz UWLYNRHWKRIURU-MRXNPFEDSA-N 1 0 277.364 2.409 20 10 CECDRO COC[C@H](CC[NH2+][C@@H](C)c1ccc(C)cc1O)OC ZINC000694314621 803530656 /nfs/dbraw/zinc/53/06/56/803530656.db2.gz YUGPHVOOLIYGMD-STQMWFEESA-N 1 0 267.369 2.403 20 10 CECDRO COC[C@@H](CC[NH2+][C@@H](C)c1cc(OC)ccc1O)OC ZINC000694363095 803540326 /nfs/dbraw/zinc/54/03/26/803540326.db2.gz XYAIOXXBKBVNIO-WCQYABFASA-N 1 0 283.368 2.103 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c(OC)c1 ZINC001141031721 803669055 /nfs/dbraw/zinc/66/90/55/803669055.db2.gz ITFIEMNSPIJUTD-RYUDHWBXSA-N 1 0 295.379 2.002 20 10 CECDRO C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001117953710 814968902 /nfs/dbraw/zinc/96/89/02/814968902.db2.gz MZSVKYDQMZTMRC-AWEZNQCLSA-N 1 0 261.413 2.374 20 10 CECDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)[C@H](C)O1 ZINC000686514813 803879269 /nfs/dbraw/zinc/87/92/69/803879269.db2.gz KGCPZTNYTHZTFE-VWYCJHECSA-N 1 0 279.336 2.024 20 10 CECDRO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000722293772 804232379 /nfs/dbraw/zinc/23/23/79/804232379.db2.gz PTSAYXCNCRHSOO-CZUORRHYSA-N 1 0 273.424 2.109 20 10 CECDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000037126690 815012031 /nfs/dbraw/zinc/01/20/31/815012031.db2.gz IIXJBYKTXVYSRF-RYUDHWBXSA-N 1 0 264.369 2.300 20 10 CECDRO CO[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000393483558 804522398 /nfs/dbraw/zinc/52/23/98/804522398.db2.gz RTIXFJPPNNHVNF-QGZVFWFLSA-N 1 0 290.407 2.038 20 10 CECDRO CC1(CC[NH2+]Cc2c(O)cccc2Cl)OCCO1 ZINC000716006801 815027500 /nfs/dbraw/zinc/02/75/00/815027500.db2.gz LRIUDHDHFIRPTL-UHFFFAOYSA-N 1 0 271.744 2.288 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH+]2CC(C)(CO)C2)cc1 ZINC000839145462 805559019 /nfs/dbraw/zinc/55/90/19/805559019.db2.gz LJMRWLMCEPMMAA-SNAWJCMRSA-N 1 0 260.381 2.080 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]CC3(OC)CCC3)C2)cc1 ZINC001119304215 815086505 /nfs/dbraw/zinc/08/65/05/815086505.db2.gz PVAYCEDSLHLYQK-AWEZNQCLSA-N 1 0 290.407 2.433 20 10 CECDRO O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1Cc2cccc(O)c2C1 ZINC000913726561 807518386 /nfs/dbraw/zinc/51/83/86/807518386.db2.gz RNZPJNCBNDHOJV-DZGCQCFKSA-N 1 0 286.375 2.251 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2[nH]ncc2C)c1 ZINC000716484104 815132044 /nfs/dbraw/zinc/13/20/44/815132044.db2.gz SLYFIRPSEYVFGU-JTQLQIEISA-N 1 0 261.325 2.283 20 10 CECDRO Cc1c(CN2CC[NH2+]CC23CC3)c2ccccc2n1C ZINC001234972567 807753239 /nfs/dbraw/zinc/75/32/39/807753239.db2.gz BQMTYKNBCXCITP-UHFFFAOYSA-N 1 0 269.392 2.425 20 10 CECDRO CCC[C@H](CCO)[NH2+]Cc1cccc(OC)c1O ZINC000716886631 815157338 /nfs/dbraw/zinc/15/73/38/815157338.db2.gz QHZVJUSNACRXNF-GFCCVEGCSA-N 1 0 253.342 2.042 20 10 CECDRO Cc1cc(F)cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1O ZINC001238057097 808291327 /nfs/dbraw/zinc/29/13/27/808291327.db2.gz INROTMDYKPQZGE-NSHDSACASA-N 1 0 289.297 2.289 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1O ZINC001116448816 808815577 /nfs/dbraw/zinc/81/55/77/808815577.db2.gz GEHKPYBZOSLKRP-WBVHZDCISA-N 1 0 274.408 2.490 20 10 CECDRO CC(C)(C)c1cccc(C[N@@H+]2CCCNC(=O)C2)c1O ZINC001143103583 809018210 /nfs/dbraw/zinc/01/82/10/809018210.db2.gz FXYVSUYKIRFDGW-UHFFFAOYSA-N 1 0 276.380 2.012 20 10 CECDRO CCc1nc(CN2CCCc3cc(C[NH3+])ccc32)no1 ZINC000700928871 809374087 /nfs/dbraw/zinc/37/40/87/809374087.db2.gz ZMXYKEZWHCMFNO-UHFFFAOYSA-N 1 0 272.352 2.044 20 10 CECDRO Oc1cccc(F)c1CN1CC[NH+](C2CCC2)CC1 ZINC001137831950 809498233 /nfs/dbraw/zinc/49/82/33/809498233.db2.gz UHSHDBPPZLSYSQ-UHFFFAOYSA-N 1 0 264.344 2.201 20 10 CECDRO Cc1nocc1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703416381 809648850 /nfs/dbraw/zinc/64/88/50/809648850.db2.gz AXZRGFSHIKSFBH-UHFFFAOYSA-N 1 0 254.236 2.257 20 10 CECDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(N)cc1 ZINC000705161861 809774141 /nfs/dbraw/zinc/77/41/41/809774141.db2.gz HZNCOLUADMMPOF-GFCCVEGCSA-N 1 0 276.384 2.074 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CC[C@@H]2SC)c1O ZINC000706475475 809825558 /nfs/dbraw/zinc/82/55/58/809825558.db2.gz HJUUXGLFDKNTLI-JQWIXIFHSA-N 1 0 253.367 2.384 20 10 CECDRO C[C@@H](CN(C)C)[NH2+]Cc1c(O)cccc1Br ZINC000706863302 809858576 /nfs/dbraw/zinc/85/85/76/809858576.db2.gz BTLAXVLDRPFOKZ-VIFPVBQESA-N 1 0 287.201 2.194 20 10 CECDRO CCOCC[NH2+]Cc1c(O)cccc1Br ZINC000706829910 809856360 /nfs/dbraw/zinc/85/63/60/809856360.db2.gz GWBABYXYOXWQNC-UHFFFAOYSA-N 1 0 274.158 2.281 20 10 CECDRO CN(CC[NH+](C)C)Cc1c(O)cccc1Br ZINC000707142991 809878255 /nfs/dbraw/zinc/87/82/55/809878255.db2.gz QVAUWOOBELNOQV-UHFFFAOYSA-N 1 0 287.201 2.148 20 10 CECDRO CC[NH2+][C@@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000707986777 809916698 /nfs/dbraw/zinc/91/66/98/809916698.db2.gz RURZWGYWZNHYDJ-ZDUSSCGKSA-N 1 0 277.412 2.099 20 10 CECDRO COc1ccc(O)c(CN2CCCCC[C@@H]([NH3+])C2)c1 ZINC000709012053 809940235 /nfs/dbraw/zinc/94/02/35/809940235.db2.gz XWPHZTGSKCVIHJ-CYBMUJFWSA-N 1 0 264.369 2.104 20 10 CECDRO CC[NH+](CC)CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708516326 809943820 /nfs/dbraw/zinc/94/38/20/809943820.db2.gz HBFIGIIEFFXXMP-UHFFFAOYSA-N 1 0 272.339 2.492 20 10 CECDRO C[N@H+](CCOCC[NH3+])Cc1cc(Cl)cc(Cl)c1[O-] ZINC000699506396 810137367 /nfs/dbraw/zinc/13/73/67/810137367.db2.gz LVQOTTDKQOCZCC-UHFFFAOYSA-N 1 0 293.194 2.106 20 10 CECDRO CC[C@@H](C)OCC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172323156 815372086 /nfs/dbraw/zinc/37/20/86/815372086.db2.gz GISUKJWJTCWNNO-NWDGAFQWSA-N 1 0 295.379 2.464 20 10 CECDRO CC1=NO[C@H](C[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000820265210 810550141 /nfs/dbraw/zinc/55/01/41/810550141.db2.gz LFHAQLMUXUTCEF-NSHDSACASA-N 1 0 299.168 2.409 20 10 CECDRO C[C@@H](CC(=O)NCc1c(O)cccc1F)[C@H]1CCC[NH2+]C1 ZINC001122258020 815396913 /nfs/dbraw/zinc/39/69/13/815396913.db2.gz HXLJJWYWAKQJIB-RYUDHWBXSA-N 1 0 294.370 2.173 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCn2cncn2)c1 ZINC000381717721 810834580 /nfs/dbraw/zinc/83/45/80/810834580.db2.gz TUNIKZCVUCGDFH-GFCCVEGCSA-N 1 0 260.341 2.033 20 10 CECDRO C[C@H]1[NH2+]CCN(Cc2cc(Br)ccc2O)[C@H]1C ZINC000379503409 811051355 /nfs/dbraw/zinc/05/13/55/811051355.db2.gz YJPVVQOTXFBZKE-ZJUUUORDSA-N 1 0 299.212 2.337 20 10 CECDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001168974905 811323059 /nfs/dbraw/zinc/32/30/59/811323059.db2.gz STJZIADQUVVCRA-GXTWGEPZSA-N 1 0 276.336 2.157 20 10 CECDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001168974906 811324188 /nfs/dbraw/zinc/32/41/88/811324188.db2.gz STJZIADQUVVCRA-JSGCOSHPSA-N 1 0 276.336 2.157 20 10 CECDRO OCC1(C[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691427843 811657007 /nfs/dbraw/zinc/65/70/07/811657007.db2.gz HTLLNBDQBWEXOO-UHFFFAOYSA-N 1 0 286.169 2.017 20 10 CECDRO CCc1cccc(C[NH2+]CCc2ccn(C)n2)c1O ZINC000691513793 811991313 /nfs/dbraw/zinc/99/13/13/811991313.db2.gz QHANGKXGKHJIKN-UHFFFAOYSA-N 1 0 259.353 2.020 20 10 CECDRO COCc1cc(OC)ccc1N(C)C(C)(C)C[NH3+] ZINC001170060622 812017837 /nfs/dbraw/zinc/01/78/37/812017837.db2.gz UHJRMGWOBKIFFW-UHFFFAOYSA-N 1 0 252.358 2.015 20 10 CECDRO CC[C@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CCO1 ZINC001170171680 812333622 /nfs/dbraw/zinc/33/36/22/812333622.db2.gz YXPZLHGOONKMEN-OLZOCXBDSA-N 1 0 265.353 2.188 20 10 CECDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001172916647 815544905 /nfs/dbraw/zinc/54/49/05/815544905.db2.gz CDGLFLWRFQKIJJ-RYUDHWBXSA-N 1 0 251.326 2.145 20 10 CECDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000388819744 813242374 /nfs/dbraw/zinc/24/23/74/813242374.db2.gz WEMMABSEGLQYHP-STQMWFEESA-N 1 0 267.369 2.403 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1 ZINC000389138095 813248431 /nfs/dbraw/zinc/24/84/31/813248431.db2.gz XTIZKLJBCKMPHQ-NWDGAFQWSA-N 1 0 265.353 2.306 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccnc(C)c2)c1 ZINC000391192718 813277491 /nfs/dbraw/zinc/27/74/91/813277491.db2.gz ZNRPOVSOCXHJBL-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CN1CCCc2cc(C[NH2+]Cc3ccc(=O)[nH]c3)ccc21 ZINC000392713914 813306564 /nfs/dbraw/zinc/30/65/64/813306564.db2.gz NBEOHEOURNUDTP-UHFFFAOYSA-N 1 0 283.375 2.459 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(=O)[nH]c2)c1 ZINC000392684108 813307310 /nfs/dbraw/zinc/30/73/10/813307310.db2.gz NJOPKNZZHKXBQF-SNVBAGLBSA-N 1 0 274.320 2.352 20 10 CECDRO C[S@](=O)C1(C[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000393695158 813326683 /nfs/dbraw/zinc/32/66/83/813326683.db2.gz BAEYSIBTJQXXIX-SFHVURJKSA-N 1 0 287.812 2.436 20 10 CECDRO C[S@@](=O)C1(C[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000393695156 813326932 /nfs/dbraw/zinc/32/69/32/813326932.db2.gz BAEYSIBTJQXXIX-GOSISDBHSA-N 1 0 287.812 2.436 20 10 CECDRO C[C@H]([NH2+]CC1(N(C)C)CC1)c1cc(F)ccc1O ZINC000397848863 813642816 /nfs/dbraw/zinc/64/28/16/813642816.db2.gz GHRNNDBUCIBZBD-JTQLQIEISA-N 1 0 252.333 2.276 20 10 CECDRO COc1ccccc1C[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144508919 814097189 /nfs/dbraw/zinc/09/71/89/814097189.db2.gz DHGUDGBZIUISJI-UHFFFAOYSA-N 1 0 289.331 2.444 20 10 CECDRO Cc1cc(CN2CCn3nccc3C2)ccc1N(C)C ZINC001139673150 814635062 /nfs/dbraw/zinc/63/50/62/814635062.db2.gz AHJJUNWOBAOTAX-UHFFFAOYSA-N 1 0 270.380 2.273 20 10 CECDRO CN1CC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000712546504 814764999 /nfs/dbraw/zinc/76/49/99/814764999.db2.gz IKINHKGZYKXQGI-KRWDZBQOSA-N 1 0 273.424 2.471 20 10 CECDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000712571653 814767548 /nfs/dbraw/zinc/76/75/48/814767548.db2.gz KPWIXYHJCGGUDQ-NEPJUHHUSA-N 1 0 264.369 2.146 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1=O)c1ccc(N(C)C)cc1 ZINC001116673899 814875492 /nfs/dbraw/zinc/87/54/92/814875492.db2.gz QICMWGHIJBCKBL-BLLLJJGKSA-N 1 0 287.407 2.167 20 10 CECDRO CC[C@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001173265703 815644976 /nfs/dbraw/zinc/64/49/76/815644976.db2.gz VDWATKALLSPZJA-NVBFEUDRSA-N 1 0 265.353 2.300 20 10 CECDRO [O-]c1c(F)cccc1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001138122725 815731244 /nfs/dbraw/zinc/73/12/44/815731244.db2.gz YLQOTMWTJXWUIK-AWEZNQCLSA-N 1 0 271.307 2.218 20 10 CECDRO CO[C@@H]1C[N@H+](Cc2c3ccccc3n(C)c2C)C[C@@H]1OC ZINC001138252772 815755072 /nfs/dbraw/zinc/75/50/72/815755072.db2.gz UKZIYCAIJDOMGL-CALCHBBNSA-N 1 0 288.391 2.332 20 10 CECDRO COC(=O)CC[N@H+](C)Cc1c(C)n(C)c2ccccc21 ZINC001138259753 815756725 /nfs/dbraw/zinc/75/67/25/815756725.db2.gz NJAFIXRFERGCJA-UHFFFAOYSA-N 1 0 274.364 2.482 20 10 CECDRO Cc1c(C[NH+]2CC3(C2)CCN(C)C3=O)c2ccccc2n1C ZINC001138260672 815756979 /nfs/dbraw/zinc/75/69/79/815756979.db2.gz OODFCXLUBJJBPR-UHFFFAOYSA-N 1 0 297.402 2.151 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H](CO)C3)ccc21 ZINC001138353702 815772803 /nfs/dbraw/zinc/77/28/03/815772803.db2.gz HILLEGSGULUZHQ-OAHLLOKOSA-N 1 0 274.408 2.273 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CC[C@@](C)(O)C3)ccc21 ZINC001138354237 815773183 /nfs/dbraw/zinc/77/31/83/815773183.db2.gz BTQUXOJXEZTXGA-MRXNPFEDSA-N 1 0 260.381 2.026 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCC[C@H](n2ncnn2)C1)c1ccccc1O ZINC001173755012 815810983 /nfs/dbraw/zinc/81/09/83/815810983.db2.gz FWZNBLHHGMSPSS-AGIUHOORSA-N 1 0 287.367 2.213 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](n2ncnn2)C1)c1ccccc1O ZINC001173755016 815811132 /nfs/dbraw/zinc/81/11/32/815811132.db2.gz FWZNBLHHGMSPSS-UPJWGTAASA-N 1 0 287.367 2.213 20 10 CECDRO CNc1ncccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001138696691 815871724 /nfs/dbraw/zinc/87/17/24/815871724.db2.gz XTXRDGAEQWOYAL-UHFFFAOYSA-N 1 0 269.348 2.387 20 10 CECDRO COc1cc(CN2C[C@@H](F)C[C@H]2C)cc(C[NH+](C)C)c1O ZINC001139256171 815996730 /nfs/dbraw/zinc/99/67/30/815996730.db2.gz VSPCPTGWKYNRAB-RISCZKNCSA-N 1 0 296.386 2.395 20 10 CECDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC001140060181 816181245 /nfs/dbraw/zinc/18/12/45/816181245.db2.gz ODAUKIYAXXXXBD-CQSZACIVSA-N 1 0 264.344 2.200 20 10 CECDRO C[N@@H+](Cc1c(O)cccc1Br)CC1COC1 ZINC001140101286 816189196 /nfs/dbraw/zinc/18/91/96/816189196.db2.gz PIJNEBZDGYDAIW-UHFFFAOYSA-N 1 0 286.169 2.233 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCC3(COC(=O)N3)CC2)c1O ZINC001140184027 816205333 /nfs/dbraw/zinc/20/53/33/816205333.db2.gz KIIHIBGNXOSVSD-UHFFFAOYSA-N 1 0 290.363 2.083 20 10 CECDRO CCOC(=O)CC[N@H+](C)Cc1c(C)ccc(C)c1O ZINC001140182693 816205848 /nfs/dbraw/zinc/20/58/48/816205848.db2.gz XKCPHQUUHZTKRY-UHFFFAOYSA-N 1 0 265.353 2.394 20 10 CECDRO Cc1ccc(C)c(C[N@@H+](C)C2CCS(=O)(=O)CC2)c1O ZINC001140184560 816206291 /nfs/dbraw/zinc/20/62/91/816206291.db2.gz ZLURYNZEXQGWTI-UHFFFAOYSA-N 1 0 297.420 2.018 20 10 CECDRO O=C1NC[C@@]2(CCC[N@@H+](Cc3c(O)cccc3Cl)C2)O1 ZINC001140341257 816237647 /nfs/dbraw/zinc/23/76/47/816237647.db2.gz HBOIYWHPFKGBTC-CQSZACIVSA-N 1 0 296.754 2.120 20 10 CECDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140341993 816238633 /nfs/dbraw/zinc/23/86/33/816238633.db2.gz OFWMNSUPUGIDAS-NSHDSACASA-N 1 0 282.771 2.098 20 10 CECDRO Oc1cc(Cl)ccc1C[NH+]1CC2(C1)CCOC2 ZINC001140461337 816260032 /nfs/dbraw/zinc/26/00/32/816260032.db2.gz IHNNHRMUXCTRNJ-UHFFFAOYSA-N 1 0 253.729 2.268 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)c1 ZINC001140624315 816307859 /nfs/dbraw/zinc/30/78/59/816307859.db2.gz QGJAADSDOIYOCD-OAHLLOKOSA-N 1 0 299.374 2.452 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC001140742760 816338990 /nfs/dbraw/zinc/33/89/90/816338990.db2.gz YACJFMKXGBVITG-JTQLQIEISA-N 1 0 251.326 2.017 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCCC3(COC3)C2)c1O ZINC001140744209 816339893 /nfs/dbraw/zinc/33/98/93/816339893.db2.gz PNIYPTPUZINTOW-UHFFFAOYSA-N 1 0 263.337 2.019 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1O ZINC001140744059 816340119 /nfs/dbraw/zinc/34/01/19/816340119.db2.gz KEYHQBAIRRGSCY-HNNXBMFYSA-N 1 0 263.337 2.019 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c1O ZINC001140747646 816341659 /nfs/dbraw/zinc/34/16/59/816341659.db2.gz HMPDWHCGWGYWEX-FZMZJTMJSA-N 1 0 263.337 2.017 20 10 CECDRO COC(=O)Cc1ccc(O)c(Nc2cc(C)[nH+]c(C)c2)c1 ZINC001176056072 816343714 /nfs/dbraw/zinc/34/37/14/816343714.db2.gz PCWPVXOMWOVVIP-UHFFFAOYSA-N 1 0 286.331 2.285 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c(O)c1 ZINC001140857615 816386153 /nfs/dbraw/zinc/38/61/53/816386153.db2.gz TXIGBSYTGUKEJC-HOTGVXAUSA-N 1 0 289.423 2.127 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140922440 816410842 /nfs/dbraw/zinc/41/08/42/816410842.db2.gz QVJWFKIWHRWUPH-LBPRGKRZSA-N 1 0 296.798 2.401 20 10 CECDRO CCOC(=O)CC[N@H+](C)Cc1ccc(C)cc1O ZINC001140950832 816424367 /nfs/dbraw/zinc/42/43/67/816424367.db2.gz KDZSSNGEPDMTQP-UHFFFAOYSA-N 1 0 251.326 2.086 20 10 CECDRO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc(C)cc1O ZINC001140957825 816426543 /nfs/dbraw/zinc/42/65/43/816426543.db2.gz OOAFVQHWMDZCKA-AWEZNQCLSA-N 1 0 265.353 2.330 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C)c(OC)c1 ZINC001141027290 816449174 /nfs/dbraw/zinc/44/91/74/816449174.db2.gz SYIXUEONFDDZCH-SNVBAGLBSA-N 1 0 251.326 2.394 20 10 CECDRO CC1(CO)C[NH+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074845 816469932 /nfs/dbraw/zinc/46/99/32/816469932.db2.gz VDEIZNKKWGQADE-UHFFFAOYSA-N 1 0 286.419 2.200 20 10 CECDRO COCC1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139276 816483875 /nfs/dbraw/zinc/48/38/75/816483875.db2.gz PTJBVZGVZHOHEF-UHFFFAOYSA-N 1 0 290.407 2.374 20 10 CECDRO CN1CCOc2cc(C[NH+]3CCC4(CCO4)CC3)ccc21 ZINC001141143732 816485127 /nfs/dbraw/zinc/48/51/27/816485127.db2.gz ICGIGZLXOUMIIU-UHFFFAOYSA-N 1 0 288.391 2.270 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CCc3cc4c(cc3C2)OCO4)c1 ZINC001141156073 816489738 /nfs/dbraw/zinc/48/97/38/816489738.db2.gz DSHDCOQDGYLBET-UHFFFAOYSA-N 1 0 299.326 2.385 20 10 CECDRO CC[NH+](CC)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141159108 816489924 /nfs/dbraw/zinc/48/99/24/816489924.db2.gz ZIUBMKUPWXZSKZ-UHFFFAOYSA-N 1 0 278.396 2.404 20 10 CECDRO C[N@H+](Cc1cccc2c1OCO2)Cc1cc(O)ccc1O ZINC001141162712 816492465 /nfs/dbraw/zinc/49/24/65/816492465.db2.gz ARRORXXIEZTLBD-UHFFFAOYSA-N 1 0 287.315 2.459 20 10 CECDRO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(C(=O)[O-])ccc2O)CC1 ZINC001206317812 816692344 /nfs/dbraw/zinc/69/23/44/816692344.db2.gz IUTUOXBKSHNODG-MRXNPFEDSA-N 1 0 292.379 2.041 20 10 CECDRO CC(C)(C)c1cccc(CN2CCN(C#N)CC2)c1O ZINC001143116677 816787962 /nfs/dbraw/zinc/78/79/62/816787962.db2.gz JGKXWJSUPYFTAM-UHFFFAOYSA-N 1 0 273.380 2.288 20 10 CECDRO C[C@@H](CC[NH+](C)C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124755742 365658994 /nfs/dbraw/zinc/65/89/94/365658994.db2.gz SYLXHFHRYHNUMS-JTQLQIEISA-N 1 0 256.777 2.475 20 10 CECDRO CCN1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000083393102 178399976 /nfs/dbraw/zinc/39/99/76/178399976.db2.gz LZHICAKBMLDJSN-CYBMUJFWSA-N 1 0 252.333 2.105 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)OCCO)c(O)c1 ZINC000294114735 344693560 /nfs/dbraw/zinc/69/35/60/344693560.db2.gz KGTVHSHGIAJMOB-ZDUSSCGKSA-N 1 0 281.396 2.447 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCOCC(F)(F)F)c1 ZINC000104435350 186001388 /nfs/dbraw/zinc/00/13/88/186001388.db2.gz JBLGBZLRJZHPAQ-UHFFFAOYSA-N 1 0 279.258 2.069 20 10 CECDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(OC)ccc2O)C1 ZINC000134060093 366282009 /nfs/dbraw/zinc/28/20/09/366282009.db2.gz UFXRWXYSUZCYON-CQSZACIVSA-N 1 0 278.396 2.317 20 10 CECDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(OC)ccc2O)C1 ZINC000134060283 366282514 /nfs/dbraw/zinc/28/25/14/366282514.db2.gz UFXRWXYSUZCYON-AWEZNQCLSA-N 1 0 278.396 2.317 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000134244008 366303195 /nfs/dbraw/zinc/30/31/95/366303195.db2.gz BPCQPYGYXPKMLB-OPQQBVKSSA-N 1 0 251.326 2.229 20 10 CECDRO CCn1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000112097853 364773714 /nfs/dbraw/zinc/77/37/14/364773714.db2.gz VRASQNNXYZSPCC-UHFFFAOYSA-N 1 0 276.359 2.398 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C1CC1)Cc1ccccc1O ZINC000112979390 364861138 /nfs/dbraw/zinc/86/11/38/364861138.db2.gz KRMHAVUAJJPHMV-UHFFFAOYSA-N 1 0 276.380 2.225 20 10 CECDRO COc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1O ZINC000171134431 367484105 /nfs/dbraw/zinc/48/41/05/367484105.db2.gz QVEKYCUTDZIYHV-UHFFFAOYSA-N 1 0 289.331 2.405 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000180058114 368366838 /nfs/dbraw/zinc/36/68/38/368366838.db2.gz FWDHJVPPBKKMON-NSHDSACASA-N 1 0 281.327 2.116 20 10 CECDRO CNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179635130 368344860 /nfs/dbraw/zinc/34/48/60/368344860.db2.gz DWGIFAQGVQBDHA-UHFFFAOYSA-N 1 0 296.798 2.312 20 10 CECDRO CCNC(=O)C[N@H+](CC)Cc1cc(Cl)cc(C)c1O ZINC000179596016 368344887 /nfs/dbraw/zinc/34/48/87/368344887.db2.gz SFNQDEOUNIPWSK-UHFFFAOYSA-N 1 0 284.787 2.312 20 10 CECDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC000180427892 368381448 /nfs/dbraw/zinc/38/14/48/368381448.db2.gz MYAHBZVLZZHNHI-NSHDSACASA-N 1 0 277.343 2.462 20 10 CECDRO CCn1cc([C@H](C)[NH2+]Cc2cc(OC)ccc2O)cn1 ZINC000180896754 368401154 /nfs/dbraw/zinc/40/11/54/368401154.db2.gz KMUWZUGOUBXIOM-NSHDSACASA-N 1 0 275.352 2.468 20 10 CECDRO C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1cc(F)ccc1O ZINC000185361791 368797418 /nfs/dbraw/zinc/79/74/18/368797418.db2.gz HYKQSQPOHCSSIV-GFCCVEGCSA-N 1 0 296.386 2.293 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186811905 369048957 /nfs/dbraw/zinc/04/89/57/369048957.db2.gz DCOYOCCLXPECAV-LBPRGKRZSA-N 1 0 290.407 2.400 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)cc1 ZINC000189005738 369441510 /nfs/dbraw/zinc/44/15/10/369441510.db2.gz RCBPVKKTCPCSON-OLZOCXBDSA-N 1 0 277.412 2.270 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(F)ccc1O ZINC000189299967 369493101 /nfs/dbraw/zinc/49/31/01/369493101.db2.gz QEFPFYJKQCYOSA-SCVCMEIPSA-N 1 0 253.317 2.343 20 10 CECDRO [NH3+][C@H]1CC=C(C(=O)N2CCN(C3CC3)c3ccccc32)C1 ZINC000638284738 370422578 /nfs/dbraw/zinc/42/25/78/370422578.db2.gz CNIZYRJIJBBXMX-ZDUSSCGKSA-N 1 0 283.375 2.050 20 10 CECDRO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(N(C)C)cc1 ZINC000268919246 372287378 /nfs/dbraw/zinc/28/73/78/372287378.db2.gz OSSLQDRBZYYISC-CYBMUJFWSA-N 1 0 289.423 2.449 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[S@@](=O)CC[C@H]2C)c1 ZINC000365444851 372861233 /nfs/dbraw/zinc/86/12/33/372861233.db2.gz AQNINEDDQNWKSG-XIKOKIGWSA-N 1 0 267.394 2.044 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]3OCC[C@H]32)cc1OC ZINC000366263277 373017870 /nfs/dbraw/zinc/01/78/70/373017870.db2.gz CDQVEBAYZAHSNT-TZMCWYRMSA-N 1 0 293.363 2.163 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1 ZINC000271063428 373101780 /nfs/dbraw/zinc/10/17/80/373101780.db2.gz HSJNZLNIGBOAIS-UHFFFAOYSA-N 1 0 290.407 2.437 20 10 CECDRO Oc1ccccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000271261154 373185380 /nfs/dbraw/zinc/18/53/80/373185380.db2.gz IPYIJNQLLIDNJM-PWSUYJOCSA-N 1 0 275.270 2.280 20 10 CECDRO COC(=O)[C@@]1(F)CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000271879116 373202937 /nfs/dbraw/zinc/20/29/37/373202937.db2.gz UODSFTNXRYJYDO-CYBMUJFWSA-N 1 0 287.718 2.133 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000368809973 373264095 /nfs/dbraw/zinc/26/40/95/373264095.db2.gz LJOHCGPUAWKVGK-HOCLYGCPSA-N 1 0 277.364 2.335 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)CCCCO)c1 ZINC000272368019 373451205 /nfs/dbraw/zinc/45/12/05/373451205.db2.gz GDRSWZMBSMGAFZ-LLVKDONJSA-N 1 0 253.342 2.042 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)CCc2cnccn2)c1 ZINC000273786476 373770460 /nfs/dbraw/zinc/77/04/60/373770460.db2.gz UJRVILFPIODPFX-UHFFFAOYSA-N 1 0 287.363 2.255 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(O)c1C ZINC000273418189 373754671 /nfs/dbraw/zinc/75/46/71/373754671.db2.gz RLJHUVCDEZGGNN-HUUCEWRRSA-N 1 0 292.423 2.116 20 10 CECDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273445328 373756809 /nfs/dbraw/zinc/75/68/09/373756809.db2.gz DYDTXPZDFPWZFA-WCQYABFASA-N 1 0 299.436 2.483 20 10 CECDRO COC(=O)N1CC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273451671 373758020 /nfs/dbraw/zinc/75/80/20/373758020.db2.gz GCNBCKBQUMPLDN-NSHDSACASA-N 1 0 278.352 2.110 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[S@@](C)=O)c(O)c1C ZINC000273470131 373760507 /nfs/dbraw/zinc/76/05/07/373760507.db2.gz RVMIBZZQFYSYDF-KWFDTGPKSA-N 1 0 269.410 2.427 20 10 CECDRO COC[C@H](C[NH2+][C@H](C)c1cc(Cl)ccc1O)OC ZINC000273478233 373760731 /nfs/dbraw/zinc/76/07/31/373760731.db2.gz TXKLIWMSBLXKRB-KOLCDFICSA-N 1 0 273.760 2.358 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)c(O)c1C ZINC000273530776 373762424 /nfs/dbraw/zinc/76/24/24/373762424.db2.gz WEKUWDGFIOACTD-CJNGLKHVSA-N 1 0 293.407 2.447 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c(O)c1 ZINC000273529599 373762473 /nfs/dbraw/zinc/76/24/73/373762473.db2.gz WANXKJKSXCRVFW-CHWSQXEVSA-N 1 0 276.380 2.361 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC2(C)OCCO2)c(O)c1C ZINC000273536984 373762995 /nfs/dbraw/zinc/76/29/95/373762995.db2.gz XOXOSNYEHHOLCD-GFCCVEGCSA-N 1 0 265.353 2.423 20 10 CECDRO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273595939 373766646 /nfs/dbraw/zinc/76/66/46/373766646.db2.gz QPNKBXPWGRBQPE-NXEZZACHSA-N 1 0 280.759 2.376 20 10 CECDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1cccc(Cl)c1[O-])CCO2 ZINC000279702517 374957825 /nfs/dbraw/zinc/95/78/25/374957825.db2.gz RITZWNCYFBFARK-NHYWBVRUSA-N 1 0 297.782 2.425 20 10 CECDRO C[S@@](=O)C1(C[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000281685045 375392846 /nfs/dbraw/zinc/39/28/46/375392846.db2.gz BAHORAOOBDRKHX-GOSISDBHSA-N 1 0 287.812 2.436 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)nn2C)c1 ZINC000284182520 375824750 /nfs/dbraw/zinc/82/47/50/375824750.db2.gz FVYNLAFWPXXCOX-NSHDSACASA-N 1 0 275.352 2.294 20 10 CECDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284277543 375825789 /nfs/dbraw/zinc/82/57/89/375825789.db2.gz XGABCKVNMXJGBC-CZUORRHYSA-N 1 0 281.396 2.447 20 10 CECDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000284206266 375825945 /nfs/dbraw/zinc/82/59/45/375825945.db2.gz SLLXVSRWVLYHJM-HUUCEWRRSA-N 1 0 292.423 2.380 20 10 CECDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284221933 375826568 /nfs/dbraw/zinc/82/65/68/375826568.db2.gz UCJBGROARSAXLN-GFCCVEGCSA-N 1 0 285.409 2.094 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCNC(=O)C(C)C)c(O)c1 ZINC000285065103 375834746 /nfs/dbraw/zinc/83/47/46/375834746.db2.gz JAKZGVQRAMKWPX-CYBMUJFWSA-N 1 0 278.396 2.432 20 10 CECDRO COc1cc(O)c(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)cc1OC ZINC000285235899 375836304 /nfs/dbraw/zinc/83/63/04/375836304.db2.gz ZAZNQWPJEVBOJM-TXEJJXNPSA-N 1 0 281.352 2.019 20 10 CECDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2O)nc1 ZINC000285749015 375842327 /nfs/dbraw/zinc/84/23/27/375842327.db2.gz VLEAXAFTSTXHFO-UHFFFAOYSA-N 1 0 286.331 2.206 20 10 CECDRO C[C@@H]([NH2+]CCN(C)C)c1cc2c(cc1O)CCCC2 ZINC000287049824 376138587 /nfs/dbraw/zinc/13/85/87/376138587.db2.gz MVEKDQBMSXEFPC-GFCCVEGCSA-N 1 0 262.397 2.483 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CCC2(O)CCOCC2)c1O ZINC000289373225 376393278 /nfs/dbraw/zinc/39/32/78/376393278.db2.gz LSJNHBYLMNMBBJ-UHFFFAOYSA-N 1 0 299.798 2.375 20 10 CECDRO Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@@H](C)O)ccc1N(C)C ZINC000294487810 377990602 /nfs/dbraw/zinc/99/06/02/377990602.db2.gz HQCHUTTXMXNWPG-ZBFHGGJFSA-N 1 0 292.423 2.033 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H]2CO)ccc1N(C)C ZINC000294757050 378018651 /nfs/dbraw/zinc/01/86/51/378018651.db2.gz YBTGOTVDDQRGPD-MLGOLLRUSA-N 1 0 262.397 2.264 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC[C@H](C)CCO)c1 ZINC000295150694 378044730 /nfs/dbraw/zinc/04/47/30/378044730.db2.gz RAXSXQLSJMECLF-LBPRGKRZSA-N 1 0 267.369 2.289 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295826686 378321287 /nfs/dbraw/zinc/32/12/87/378321287.db2.gz DRWLZKHQSCXZQI-WCQYABFASA-N 1 0 276.380 2.274 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cc(F)ccc1O ZINC000296500253 378552814 /nfs/dbraw/zinc/55/28/14/378552814.db2.gz PAULLJUNIYTUPK-UMNHJUIQSA-N 1 0 253.317 2.343 20 10 CECDRO NC(=O)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCCC1 ZINC000297651859 378688425 /nfs/dbraw/zinc/68/84/25/378688425.db2.gz KFWKSASYKRPRHY-GFCCVEGCSA-N 1 0 274.364 2.015 20 10 CECDRO CCOC[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000530105674 380194858 /nfs/dbraw/zinc/19/48/58/380194858.db2.gz ISZBSSDZMLUXJH-HNNXBMFYSA-N 1 0 279.380 2.246 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccc2ccccc2c1O ZINC000530221801 380197212 /nfs/dbraw/zinc/19/72/12/380197212.db2.gz DJTSRTULJGBMSG-TZMCWYRMSA-N 1 0 286.375 2.184 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000051991912 394557346 /nfs/dbraw/zinc/55/73/46/394557346.db2.gz LDEBEVOUTOHZAM-ZBINZKHDSA-N 1 0 265.353 2.355 20 10 CECDRO C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)Cc1ccccc1O ZINC000109771875 394734876 /nfs/dbraw/zinc/73/48/76/394734876.db2.gz HGEYRKZSIBIZQE-CQSZACIVSA-N 1 0 290.407 2.471 20 10 CECDRO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)Cc1ccccc1O ZINC000109773407 394735054 /nfs/dbraw/zinc/73/50/54/394735054.db2.gz BFYANOCTDQCURM-LBPRGKRZSA-N 1 0 276.380 2.271 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCCO1 ZINC000278928502 394838066 /nfs/dbraw/zinc/83/80/66/394838066.db2.gz USMWMBXFYMTMCR-HOCLYGCPSA-N 1 0 296.386 2.175 20 10 CECDRO CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124713950 394840151 /nfs/dbraw/zinc/84/01/51/394840151.db2.gz GGILFOQDZPNFER-LLVKDONJSA-N 1 0 268.788 2.477 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000132108585 394925450 /nfs/dbraw/zinc/92/54/50/394925450.db2.gz FPVNSADWQZDMAU-QGZVFWFLSA-N 1 0 269.344 2.316 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC000153729636 395016941 /nfs/dbraw/zinc/01/69/41/395016941.db2.gz VJXNEIFKSOSLIL-MRXNPFEDSA-N 1 0 293.338 2.346 20 10 CECDRO C[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000134835015 394959813 /nfs/dbraw/zinc/95/98/13/394959813.db2.gz NWZHVBGMCUEXMR-SFYZADRCSA-N 1 0 274.158 2.186 20 10 CECDRO COC(=O)[C@H](C)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372798866 395047407 /nfs/dbraw/zinc/04/74/07/395047407.db2.gz GNOSYMPCCFFREF-LBPRGKRZSA-N 1 0 274.364 2.013 20 10 CECDRO CSC[C@H](O)C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372922652 395049541 /nfs/dbraw/zinc/04/95/41/395049541.db2.gz JCCLMZVOXZUCNA-MRXNPFEDSA-N 1 0 292.448 2.176 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)c1 ZINC000168840076 395089014 /nfs/dbraw/zinc/08/90/14/395089014.db2.gz RCYJNUVGLHCXJD-RMDKCXRXSA-N 1 0 285.409 2.209 20 10 CECDRO C[C@@H]([NH2+]CCN(C)C)c1ccc(Br)cc1O ZINC000287081438 395033327 /nfs/dbraw/zinc/03/33/27/395033327.db2.gz ORIKQMZJKZPBJC-SECBINFHSA-N 1 0 287.201 2.367 20 10 CECDRO C[C@@H]1C[C@@H](NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000174514741 395125314 /nfs/dbraw/zinc/12/53/14/395125314.db2.gz WBWVGKFYQJODSP-OCCSQVGLSA-N 1 0 279.403 2.464 20 10 CECDRO COCC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000182211173 395237989 /nfs/dbraw/zinc/23/79/89/395237989.db2.gz TXJUGXQBSNDNRX-AWEZNQCLSA-N 1 0 287.787 2.231 20 10 CECDRO CN(C)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000179545304 395195428 /nfs/dbraw/zinc/19/54/28/395195428.db2.gz QFCPRSVMMSVIJE-MRXNPFEDSA-N 1 0 259.397 2.033 20 10 CECDRO C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(N(C)C)cc1 ZINC000179571912 395196796 /nfs/dbraw/zinc/19/67/96/395196796.db2.gz HAPPCHDEVCPGGU-GFCCVEGCSA-N 1 0 264.369 2.166 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000183270670 395254833 /nfs/dbraw/zinc/25/48/33/395254833.db2.gz WOIJBBVNOAHWCJ-UHFFFAOYSA-N 1 0 295.354 2.160 20 10 CECDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1O ZINC000183549403 395258813 /nfs/dbraw/zinc/25/88/13/395258813.db2.gz BVFLYUICUUKWGM-RWMBFGLXSA-N 1 0 265.353 2.237 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccnn1C ZINC000192246856 395378604 /nfs/dbraw/zinc/37/86/04/395378604.db2.gz LYSNYTHIHGDULQ-GFCCVEGCSA-N 1 0 258.369 2.337 20 10 CECDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035274900 172095730 /nfs/dbraw/zinc/09/57/30/172095730.db2.gz QABQXTKAYNBXEU-ZDUSSCGKSA-N 1 0 258.369 2.127 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)C(C)C)c1 ZINC000035628801 172308275 /nfs/dbraw/zinc/30/82/75/172308275.db2.gz SDSCJOSJQOPRQU-GFCCVEGCSA-N 1 0 264.369 2.123 20 10 CECDRO COc1cccc(C[NH2+][C@@H](CC(C)C)CN(C)C)c1O ZINC000037167101 260072166 /nfs/dbraw/zinc/07/21/66/260072166.db2.gz KERCFGGGLRVXAL-AWEZNQCLSA-N 1 0 280.412 2.467 20 10 CECDRO COc1ccc(C[NH2+]CC(C)(C)N2CCOCC2)cc1C ZINC000035052641 260006378 /nfs/dbraw/zinc/00/63/78/260006378.db2.gz GPIJZJXODSJXIP-UHFFFAOYSA-N 1 0 292.423 2.204 20 10 CECDRO O=C(CC[NH2+]Cc1ccc2c(c1)CCO2)N1CCCCC1 ZINC000077329431 260166891 /nfs/dbraw/zinc/16/68/91/260166891.db2.gz HGFWQNZTSCPRPC-UHFFFAOYSA-N 1 0 288.391 2.114 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000152426475 261064055 /nfs/dbraw/zinc/06/40/55/261064055.db2.gz BQBZUEFHGFKGEK-HOCLYGCPSA-N 1 0 289.423 2.414 20 10 CECDRO C[C@H](C(=O)NCCc1ccc(N)cc1)[NH+]1CCCCCC1 ZINC000152501576 261065034 /nfs/dbraw/zinc/06/50/34/261065034.db2.gz ZLKHZCOMTBSRKS-CQSZACIVSA-N 1 0 289.423 2.192 20 10 CECDRO CCOCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000161907079 261263051 /nfs/dbraw/zinc/26/30/51/261263051.db2.gz DJXVLNPYTUXVRP-ZDUSSCGKSA-N 1 0 296.386 2.349 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccco2)c(O)c1 ZINC000184917263 262033185 /nfs/dbraw/zinc/03/31/85/262033185.db2.gz AISGQJBRFQBZKE-GFCCVEGCSA-N 1 0 288.347 2.374 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000363935500 262040526 /nfs/dbraw/zinc/04/05/26/262040526.db2.gz BPMCGOJUKIXVLT-CYBMUJFWSA-N 1 0 287.363 2.161 20 10 CECDRO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(F)ccc1O ZINC000185450188 262055537 /nfs/dbraw/zinc/05/55/37/262055537.db2.gz USKIPUSIAARWNK-LBPRGKRZSA-N 1 0 296.386 2.293 20 10 CECDRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(F)ccc1O ZINC000185639595 262063431 /nfs/dbraw/zinc/06/34/31/262063431.db2.gz MEQISNCSZHHUNA-RNCFNFMXSA-N 1 0 271.357 2.050 20 10 CECDRO C[C@@H]([NH2+]CC1(CO)COC1)c1ccc2ccccc2c1O ZINC000186146266 262081624 /nfs/dbraw/zinc/08/16/24/262081624.db2.gz UTXIBRMSUAFURW-GFCCVEGCSA-N 1 0 287.359 2.205 20 10 CECDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000186520252 262096259 /nfs/dbraw/zinc/09/62/59/262096259.db2.gz YTLTYINZTHCIDD-XMXMHJJKSA-N 1 0 265.353 2.379 20 10 CECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000195171570 262247753 /nfs/dbraw/zinc/24/77/53/262247753.db2.gz JTIAQAQFWZPCEJ-MRXNPFEDSA-N 1 0 287.407 2.045 20 10 CECDRO CC[NH+]1CCN(Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184671862 262291940 /nfs/dbraw/zinc/29/19/40/262291940.db2.gz DZAYSDSHZXGPJM-UHFFFAOYSA-N 1 0 284.787 2.192 20 10 CECDRO C[C@H]1OCC[C@]12C[N@H+](Cc1ccc(N(C)C)cc1)CCO2 ZINC000280404248 263061319 /nfs/dbraw/zinc/06/13/19/263061319.db2.gz LBLTXDBKEHUNTL-PBHICJAKSA-N 1 0 290.407 2.132 20 10 CECDRO Cc1cccc(C[NH+]2CCC(c3nnc[nH]3)CC2)c1O ZINC000367753318 267115438 /nfs/dbraw/zinc/11/54/38/267115438.db2.gz ZDZZLMAZAXKGSM-UHFFFAOYSA-N 1 0 272.352 2.198 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC1(C)C ZINC000368593354 267190332 /nfs/dbraw/zinc/19/03/32/267190332.db2.gz SNMZDGDYIZAIJR-GFCCVEGCSA-N 1 0 281.327 2.162 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)cc1 ZINC000368882245 267210673 /nfs/dbraw/zinc/21/06/73/267210673.db2.gz MMDRLGSPXMSGOV-ZBFHGGJFSA-N 1 0 280.387 2.438 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@]2(CCCOC2)O1 ZINC000370712501 267340935 /nfs/dbraw/zinc/34/09/35/267340935.db2.gz VUIRGGHNDLHSPW-BBRMVZONSA-N 1 0 277.364 2.162 20 10 CECDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000131276708 277765282 /nfs/dbraw/zinc/76/52/82/277765282.db2.gz WWQDPRRVXYHHOF-DOMZBBRYSA-N 1 0 250.386 2.420 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)cc1 ZINC000134522142 289408851 /nfs/dbraw/zinc/40/88/51/289408851.db2.gz CJCSIZPCBOBNGM-UHFFFAOYSA-N 1 0 293.411 2.367 20 10 CECDRO COC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)[C@H]1CCCO1 ZINC000278620807 293165489 /nfs/dbraw/zinc/16/54/89/293165489.db2.gz CFVMYACKCUKUTE-RIEGTJTDSA-N 1 0 283.343 2.376 20 10 CECDRO Cc1n[nH]cc1CCC[NH2+]Cc1cccc(C)c1O ZINC000124695892 327988926 /nfs/dbraw/zinc/98/89/26/327988926.db2.gz FMAAJOPDQWPZGJ-UHFFFAOYSA-N 1 0 259.353 2.455 20 10 CECDRO COc1ccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1C ZINC000283800106 328245050 /nfs/dbraw/zinc/24/50/50/328245050.db2.gz AKDUUOJIWYCJEK-GOEBONIOSA-N 1 0 295.423 2.251 20 10 CECDRO OCCC1([NH2+]Cc2ccc3c(c2)CCO3)CCCC1 ZINC000285511101 328247909 /nfs/dbraw/zinc/24/79/09/328247909.db2.gz NLOIXXRZMSFMFQ-UHFFFAOYSA-N 1 0 261.365 2.406 20 10 CECDRO COc1cccc(C[NH2+]Cc2c(Cl)cnn2C)c1O ZINC000289562160 328255469 /nfs/dbraw/zinc/25/54/69/328255469.db2.gz YSQUDFSSWKGULH-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1O ZINC000077204634 326922970 /nfs/dbraw/zinc/92/29/70/326922970.db2.gz VBCLNJXEGIFHHK-WCQYABFASA-N 1 0 265.353 2.042 20 10 CECDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccccc2O)n1 ZINC000091956593 327187963 /nfs/dbraw/zinc/18/79/63/327187963.db2.gz IVFWXOWOXLLSHX-UHFFFAOYSA-N 1 0 258.321 2.433 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCNC(=O)C[C@H]2C)cc1 ZINC000377889487 329033758 /nfs/dbraw/zinc/03/37/58/329033758.db2.gz OVKJCSPMJCQQBG-CQSZACIVSA-N 1 0 289.423 2.243 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000378495757 329052972 /nfs/dbraw/zinc/05/29/72/329052972.db2.gz MMWUCACXCXZXRH-SNVBAGLBSA-N 1 0 276.315 2.029 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCCN(C3CC3)CC2)c1 ZINC000179923753 329213546 /nfs/dbraw/zinc/21/35/46/329213546.db2.gz LZGRLLITNLIPER-UHFFFAOYSA-N 1 0 276.380 2.071 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000180285638 329219359 /nfs/dbraw/zinc/21/93/59/329219359.db2.gz ORLDJIXVRQODJR-GFCCVEGCSA-N 1 0 290.342 2.035 20 10 CECDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(C)c3O)[C@H]2C1 ZINC000180779174 329222996 /nfs/dbraw/zinc/22/29/96/329222996.db2.gz RUESITPTPINVBL-PMPSAXMXSA-N 1 0 291.391 2.469 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CC2(C)COC2)c1O ZINC000228674102 329344256 /nfs/dbraw/zinc/34/42/56/329344256.db2.gz MHKANQUZTPMPFX-UHFFFAOYSA-N 1 0 271.744 2.180 20 10 CECDRO CC(C)(C[NH2+]Cc1ccccc1O)C(=O)N1CCCC1 ZINC000527810210 330284662 /nfs/dbraw/zinc/28/46/62/330284662.db2.gz MAERJZVLFWXJQY-UHFFFAOYSA-N 1 0 276.380 2.130 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000217860917 333124495 /nfs/dbraw/zinc/12/44/95/333124495.db2.gz QIBWTWMWYHNSLH-ZBFHGGJFSA-N 1 0 290.407 2.250 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1O ZINC000230315195 333316268 /nfs/dbraw/zinc/31/62/68/333316268.db2.gz BNADWILIVRETDL-CZUORRHYSA-N 1 0 277.364 2.448 20 10 CECDRO c1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc2c1OCC2 ZINC000230313468 333316356 /nfs/dbraw/zinc/31/63/56/333316356.db2.gz VFKUUJGRPVGDTJ-ZBFHGGJFSA-N 1 0 259.349 2.279 20 10 CECDRO CCC[C@@H](CCO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000231383962 333324780 /nfs/dbraw/zinc/32/47/80/333324780.db2.gz XODOOUREIXQZEP-NSHDSACASA-N 1 0 281.352 2.009 20 10 CECDRO Cc1cc(O)c(CN[C@@H]2CC[NH2+]C23CCC3)cc1C ZINC000530176967 333526920 /nfs/dbraw/zinc/52/69/20/333526920.db2.gz FHYVNZLBYUCOAW-OAHLLOKOSA-N 1 0 260.381 2.383 20 10 CECDRO Oc1ccc(F)cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245918348 334224034 /nfs/dbraw/zinc/22/40/34/334224034.db2.gz GRVFWLADEFWJFN-AWEZNQCLSA-N 1 0 264.344 2.201 20 10 CECDRO CCCOc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC000246072221 334229550 /nfs/dbraw/zinc/22/95/50/334229550.db2.gz ZLPBHGBMTRLPAY-HNNXBMFYSA-N 1 0 290.407 2.461 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](O)CC2)c1O ZINC000252859851 334397560 /nfs/dbraw/zinc/39/75/60/334397560.db2.gz NQGOXUHSKGGMQA-HAQNSBGRSA-N 1 0 285.771 2.447 20 10 CECDRO COc1ccc(O)c(C[NH+]2CCC(C)(OC)CC2)c1 ZINC000272345375 334751987 /nfs/dbraw/zinc/75/19/87/334751987.db2.gz JAJFQWRQZKIJMF-UHFFFAOYSA-N 1 0 265.353 2.402 20 10 CECDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000292995095 334888729 /nfs/dbraw/zinc/88/87/29/334888729.db2.gz MOKVDKDILDYBOV-LRDDRELGSA-N 1 0 261.365 2.262 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CO)C2CCCC2)c1O ZINC000289500571 518285982 /nfs/dbraw/zinc/28/59/82/518285982.db2.gz KUYVWNWYNARSOO-OAHLLOKOSA-N 1 0 295.354 2.375 20 10 CECDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000113343729 518814125 /nfs/dbraw/zinc/81/41/25/518814125.db2.gz ZFRQKAUAGIWYJI-CYBMUJFWSA-N 1 0 292.379 2.491 20 10 CECDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000280939594 519540110 /nfs/dbraw/zinc/54/01/10/519540110.db2.gz IRVILVLIDOQSGH-AAEUAGOBSA-N 1 0 294.370 2.440 20 10 CECDRO CC(=O)NC1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000264940630 519644968 /nfs/dbraw/zinc/64/49/68/519644968.db2.gz GADGGNHNFHWABX-UHFFFAOYSA-N 1 0 276.380 2.238 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1 ZINC000278932312 520288790 /nfs/dbraw/zinc/28/87/90/520288790.db2.gz XPWCQUZCXOAYEZ-JJRVBVJISA-N 1 0 292.423 2.333 20 10 CECDRO CC1(C)CN(CC[NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000264946659 520469796 /nfs/dbraw/zinc/46/97/96/520469796.db2.gz IXCGYEGHKZVPFR-UHFFFAOYSA-N 1 0 298.814 2.246 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])cc1F ZINC000192111037 520901283 /nfs/dbraw/zinc/90/12/83/520901283.db2.gz YFNATPJORBYRFG-NWDGAFQWSA-N 1 0 295.402 2.271 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](OC)C2CC2)c1 ZINC000293196515 521151339 /nfs/dbraw/zinc/15/13/39/521151339.db2.gz XKOASRBXMZAMJE-OAHLLOKOSA-N 1 0 265.353 2.306 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)C(C)(C)O)c1 ZINC000292933338 521155399 /nfs/dbraw/zinc/15/53/99/521155399.db2.gz HCVQOBPZKSEOOX-CQSZACIVSA-N 1 0 267.369 2.430 20 10 CECDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000094948704 522143589 /nfs/dbraw/zinc/14/35/89/522143589.db2.gz MPQOIBJNDFCXKU-NWDGAFQWSA-N 1 0 267.369 2.460 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617745 522153339 /nfs/dbraw/zinc/15/33/39/522153339.db2.gz AAVGUNQUIHHKLH-MNOVXSKESA-N 1 0 282.359 2.487 20 10 CECDRO CC[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(C)cc1O ZINC000280941516 522566466 /nfs/dbraw/zinc/56/64/66/522566466.db2.gz SNBZNOJEXMUNFE-NSHDSACASA-N 1 0 286.322 2.123 20 10 CECDRO CC[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(C)cc1O ZINC000280274377 522899179 /nfs/dbraw/zinc/89/91/79/522899179.db2.gz YBQXWSZLMSXMTD-CYBMUJFWSA-N 1 0 286.379 2.479 20 10 CECDRO COC(=O)CCCCC[NH2+]Cc1cc(OC)ccc1O ZINC000289829131 522993472 /nfs/dbraw/zinc/99/34/72/522993472.db2.gz ONTGQPBBNDWLRJ-UHFFFAOYSA-N 1 0 281.352 2.224 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000188115620 523962362 /nfs/dbraw/zinc/96/23/62/523962362.db2.gz IIFVBKSXUCDAOR-BBRMVZONSA-N 1 0 290.407 2.384 20 10 CECDRO COCCOCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000044694216 524011423 /nfs/dbraw/zinc/01/14/23/524011423.db2.gz AFRSKFIYZANDOE-CYBMUJFWSA-N 1 0 266.385 2.066 20 10 CECDRO CN1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000263743810 524024932 /nfs/dbraw/zinc/02/49/32/524024932.db2.gz NYLOTYRUHXBQCE-MRXNPFEDSA-N 1 0 296.370 2.380 20 10 CECDRO C[C@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC000236723713 524388356 /nfs/dbraw/zinc/38/83/56/524388356.db2.gz QXVRYPGWMXLATB-CQSZACIVSA-N 1 0 289.423 2.048 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000157424417 524403514 /nfs/dbraw/zinc/40/35/14/524403514.db2.gz RQUBVUQNYFUMSE-HNNXBMFYSA-N 1 0 290.407 2.433 20 10 CECDRO C[C@H](CO)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000289573139 524543011 /nfs/dbraw/zinc/54/30/11/524543011.db2.gz ZVTHAXDZGSBRNM-CQSZACIVSA-N 1 0 262.397 2.490 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1 ZINC000280468451 524750682 /nfs/dbraw/zinc/75/06/82/524750682.db2.gz CINXODORQOFUPV-MEDUHNTESA-N 1 0 277.364 2.400 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)CN2CCCCC2)c1 ZINC000037153257 524752661 /nfs/dbraw/zinc/75/26/61/524752661.db2.gz QMSMNZIMDWTLDX-ZDUSSCGKSA-N 1 0 278.396 2.365 20 10 CECDRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000280921506 525403693 /nfs/dbraw/zinc/40/36/93/525403693.db2.gz RCYZBFNLHJYTIC-QJPTWQEYSA-N 1 0 299.798 2.341 20 10 CECDRO C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(N(C)C)cc1 ZINC000071333443 525546270 /nfs/dbraw/zinc/54/62/70/525546270.db2.gz VAXCAKJUCKYTQD-GFCCVEGCSA-N 1 0 258.369 2.337 20 10 CECDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000127311324 525576174 /nfs/dbraw/zinc/57/61/74/525576174.db2.gz QAMOOMGIVXKVOX-KWQFWETISA-N 1 0 286.169 2.422 20 10 CECDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc3c(c2)CCO3)o1 ZINC000265959100 525779513 /nfs/dbraw/zinc/77/95/13/525779513.db2.gz ISLWYECGHIXLQF-AWEZNQCLSA-N 1 0 273.332 2.346 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1O ZINC000291202028 525950430 /nfs/dbraw/zinc/95/04/30/525950430.db2.gz HRTDIIVGKRZHRI-ZDUSSCGKSA-N 1 0 273.336 2.044 20 10 CECDRO Cc1cc(C(=O)NCC[NH3+])c(C)n1-c1ccccc1C ZINC000237725439 526267026 /nfs/dbraw/zinc/26/70/26/526267026.db2.gz XBAKYKRDAAMAAB-UHFFFAOYSA-N 1 0 271.364 2.091 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000289764702 526348919 /nfs/dbraw/zinc/34/89/19/526348919.db2.gz KEPHMJALRATBGV-OAHLLOKOSA-N 1 0 275.323 2.225 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H]1CSCCS1 ZINC000131148326 526373601 /nfs/dbraw/zinc/37/36/01/526373601.db2.gz YNIFQIIJFZYYJI-LLVKDONJSA-N 1 0 255.408 2.330 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCN2CC[C@@H](C)C2)c1O ZINC000761215280 574520059 /nfs/dbraw/zinc/52/00/59/574520059.db2.gz JAVJZCZYDIUXHE-LLVKDONJSA-N 1 0 298.814 2.486 20 10 CECDRO COC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000751950144 575302301 /nfs/dbraw/zinc/30/23/01/575302301.db2.gz PMLWEMGCAXHVPR-OAHLLOKOSA-N 1 0 261.365 2.492 20 10 CECDRO CCCC[NH+]1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000731871468 574604418 /nfs/dbraw/zinc/60/44/18/574604418.db2.gz MCFGPAPINZRXDG-UHFFFAOYSA-N 1 0 282.409 2.448 20 10 CECDRO C[C@H](CNC(=O)C1=CC(=O)CS1)C[NH+]1CCCCC1 ZINC000731870623 574604497 /nfs/dbraw/zinc/60/44/97/574604497.db2.gz LAOBVFBADVRWIR-LLVKDONJSA-N 1 0 282.409 2.306 20 10 CECDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(OCC)cc1O ZINC000732821018 574632245 /nfs/dbraw/zinc/63/22/45/574632245.db2.gz UDPLPNPRUQIOJJ-OAHLLOKOSA-N 1 0 267.369 2.432 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)C(C)(C)O)c1 ZINC000734841325 574731356 /nfs/dbraw/zinc/73/13/56/574731356.db2.gz MBCFOBRPYMWWDD-JTQLQIEISA-N 1 0 253.342 2.040 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCN(C(C)=O)C[C@@H]2C)cc1C ZINC000742218424 575011009 /nfs/dbraw/zinc/01/10/09/575011009.db2.gz HOZPOLYMTPGJRK-BBRMVZONSA-N 1 0 290.407 2.350 20 10 CECDRO C[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742383097 575019014 /nfs/dbraw/zinc/01/90/14/575019014.db2.gz SRALPTCUAXQEMP-GFCCVEGCSA-N 1 0 293.367 2.056 20 10 CECDRO C[C@@H]1C[NH+](Cc2cc3c(cc2O)OCO3)C[C@@H](C)S1 ZINC000743373870 575051424 /nfs/dbraw/zinc/05/14/24/575051424.db2.gz DIURSCVAGUGVHP-NXEZZACHSA-N 1 0 281.377 2.447 20 10 CECDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000743783013 575109507 /nfs/dbraw/zinc/10/95/07/575109507.db2.gz MNAZSJLNSICIKC-LLVKDONJSA-N 1 0 282.409 2.258 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000747098891 575167172 /nfs/dbraw/zinc/16/71/72/575167172.db2.gz CXDKJKRAWJDGEI-GFCCVEGCSA-N 1 0 277.320 2.207 20 10 CECDRO Cc1cc(CC[NH2+]CCC(N)=O)c(C)n1-c1ccccc1 ZINC000750449904 575262678 /nfs/dbraw/zinc/26/26/78/575262678.db2.gz LOFCUNPSYCFVQN-UHFFFAOYSA-N 1 0 285.391 2.102 20 10 CECDRO CO[C@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000751946574 575302101 /nfs/dbraw/zinc/30/21/01/575302101.db2.gz YNCLVZYSDVOWHP-LBPRGKRZSA-N 1 0 258.321 2.161 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000753374249 575324939 /nfs/dbraw/zinc/32/49/39/575324939.db2.gz RMNXYMPLMLASPT-KGLIPLIRSA-N 1 0 265.353 2.304 20 10 CECDRO O=C(NCc1cccc(Cl)c1O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000890759112 622930303 /nfs/dbraw/zinc/93/03/03/622930303.db2.gz COIKVCHZKCHTEJ-ZDUSSCGKSA-N 1 0 294.782 2.289 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c1O ZINC000843351838 622947911 /nfs/dbraw/zinc/94/79/11/622947911.db2.gz GSERZFBGXYXICM-UWVGGRQHSA-N 1 0 296.798 2.430 20 10 CECDRO Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c(O)c1O ZINC000177671351 623201354 /nfs/dbraw/zinc/20/13/54/623201354.db2.gz HJGASLNDWGRUOH-GFCCVEGCSA-N 1 0 292.379 2.010 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1OC ZINC000160478146 623338905 /nfs/dbraw/zinc/33/89/05/623338905.db2.gz MPFQWUNKXICTQM-AAEUAGOBSA-N 1 0 295.379 2.145 20 10 CECDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050286641 623385502 /nfs/dbraw/zinc/38/55/02/623385502.db2.gz TZDUPSKFJOUGPS-AWEZNQCLSA-N 1 0 284.407 2.444 20 10 CECDRO CC(=O)NC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000050899530 623516150 /nfs/dbraw/zinc/51/61/50/623516150.db2.gz NCJPDSQYEMNSTL-UHFFFAOYSA-N 1 0 276.380 2.110 20 10 CECDRO CCCC[N@H+](CCO)Cc1ccc(OC)c(OC)c1O ZINC000891458091 623719674 /nfs/dbraw/zinc/71/96/74/623719674.db2.gz JTGDCJWUQBTRQW-UHFFFAOYSA-N 1 0 283.368 2.004 20 10 CECDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891475487 623734688 /nfs/dbraw/zinc/73/46/88/623734688.db2.gz GLXYSRKSSRENTE-AAEUAGOBSA-N 1 0 295.379 2.409 20 10 CECDRO Cc1cc(N)nc(NCc2ccc(N(C)C)cc2)[nH+]1 ZINC000891579445 623800220 /nfs/dbraw/zinc/80/02/20/623800220.db2.gz YTHBXYFKPHQVOU-UHFFFAOYSA-N 1 0 257.341 2.045 20 10 CECDRO CCC([NH3+])(CC)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000892036712 624267802 /nfs/dbraw/zinc/26/78/02/624267802.db2.gz NJVFTCOOOYZLLJ-NSHDSACASA-N 1 0 279.384 2.270 20 10 CECDRO COc1ccc(C[NH2+]C2CC2)cc1Cn1cccn1 ZINC000050125471 624598049 /nfs/dbraw/zinc/59/80/49/624598049.db2.gz ASESXMLXMCROBS-UHFFFAOYSA-N 1 0 257.337 2.192 20 10 CECDRO C[NH2+]C[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000050158914 624602813 /nfs/dbraw/zinc/60/28/13/624602813.db2.gz GTOXGQXEDFOMNT-GFCCVEGCSA-N 1 0 294.370 2.165 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCCn1ccnc1C ZINC000725846453 625762456 /nfs/dbraw/zinc/76/24/56/625762456.db2.gz FKPYFESAUWOEGU-UHFFFAOYSA-N 1 0 275.352 2.086 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[NH+](C)C ZINC000820877950 634558574 /nfs/dbraw/zinc/55/85/74/634558574.db2.gz FTYVKLUFAHMGGW-GFCCVEGCSA-N 1 0 264.369 2.081 20 10 CECDRO Cc1cc(N)nc(NCc2ccc(N(C)C)cc2C)[nH+]1 ZINC000892564370 627274096 /nfs/dbraw/zinc/27/40/96/627274096.db2.gz SABOZBDXCJUOKI-UHFFFAOYSA-N 1 0 271.368 2.354 20 10 CECDRO [NH3+]CC1(CC(=O)NCc2ccccc2O)CCCCC1 ZINC000228424068 628187230 /nfs/dbraw/zinc/18/72/30/628187230.db2.gz HROWVJLIXLHFNT-UHFFFAOYSA-N 1 0 276.380 2.308 20 10 CECDRO COCC1(O)CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840918201 628498991 /nfs/dbraw/zinc/49/89/91/628498991.db2.gz PSHKFYFVOGOPQV-UHFFFAOYSA-N 1 0 292.423 2.034 20 10 CECDRO C[C@@H](N)[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1 ZINC000925692499 628510525 /nfs/dbraw/zinc/51/05/25/628510525.db2.gz LPCYNFBNMXSUTP-CXAGYDPISA-N 1 0 269.392 2.489 20 10 CECDRO COCCOCCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000312845243 628545670 /nfs/dbraw/zinc/54/56/70/628545670.db2.gz PPPQSWQLZGOCHS-CQSZACIVSA-N 1 0 279.380 2.412 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCc2cn(C)cn2)c(O)c1 ZINC000313268397 628585614 /nfs/dbraw/zinc/58/56/14/628585614.db2.gz LVEURHFYIRZCSW-LBPRGKRZSA-N 1 0 259.353 2.327 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CC[C@@H](C)C1 ZINC000840935678 628752998 /nfs/dbraw/zinc/75/29/98/628752998.db2.gz AADAPMAARJZXCL-CQSZACIVSA-N 1 0 275.440 2.492 20 10 CECDRO COCC[N@H+](Cc1ccc(N(C)C)cc1C)[C@@H]1CCOC1 ZINC000840940657 628774399 /nfs/dbraw/zinc/77/43/99/628774399.db2.gz JBYDHCKQZJKPFT-QGZVFWFLSA-N 1 0 292.423 2.298 20 10 CECDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000258909185 628783362 /nfs/dbraw/zinc/78/33/62/628783362.db2.gz FRMRJVSLTMJUMW-OAHLLOKOSA-N 1 0 263.381 2.366 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@]2(C)CCCO2)c1O ZINC000094797045 628877609 /nfs/dbraw/zinc/87/76/09/628877609.db2.gz XYDBXSCTRQQQHX-HNNXBMFYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000840964409 628925206 /nfs/dbraw/zinc/92/52/06/628925206.db2.gz RYHODUVXCVJQNV-UTUOFQBUSA-N 1 0 265.353 2.304 20 10 CECDRO C[C@H]([NH2+][C@@H]1CNOC1)c1ccc(N2CCCCC2)cc1 ZINC000925866406 628966560 /nfs/dbraw/zinc/96/65/60/628966560.db2.gz UJXWELIXLLABSV-DZGCQCFKSA-N 1 0 275.396 2.231 20 10 CECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000840975525 628980912 /nfs/dbraw/zinc/98/09/12/628980912.db2.gz OYCCLBYLJKHNAV-INIZCTEOSA-N 1 0 293.363 2.176 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1CC1CC1)OCO2 ZINC000902540094 634706706 /nfs/dbraw/zinc/70/67/06/634706706.db2.gz WBACYYNNWNHDPQ-ZDUSSCGKSA-N 1 0 291.347 2.122 20 10 CECDRO CCCN(Cc1cn(CC)nn1)c1ccc(C[NH3+])cc1 ZINC000894047346 629101315 /nfs/dbraw/zinc/10/13/15/629101315.db2.gz TZFMRGLIXWJLEJ-UHFFFAOYSA-N 1 0 273.384 2.173 20 10 CECDRO [NH3+][C@H]1Cc2ccccc2N(Cc2cc3c(cc2O)OCO3)C1 ZINC000841105895 629166169 /nfs/dbraw/zinc/16/61/69/629166169.db2.gz BNVYMLBNSTWMIC-ZDUSSCGKSA-N 1 0 298.342 2.011 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCCCn2ccnc2)c1O ZINC000894199243 629203243 /nfs/dbraw/zinc/20/32/43/629203243.db2.gz KRIVUCVVNOLNSH-UHFFFAOYSA-N 1 0 289.379 2.476 20 10 CECDRO COc1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c(O)c1OC ZINC000894254761 629264897 /nfs/dbraw/zinc/26/48/97/629264897.db2.gz UWGSYEBTOWEWKG-DGCLKSJQSA-N 1 0 295.379 2.409 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@]2(C)CCOC2)c1O ZINC000894260501 629272716 /nfs/dbraw/zinc/27/27/16/629272716.db2.gz MMDSKVNODQTQFU-OAHLLOKOSA-N 1 0 265.353 2.225 20 10 CECDRO COC(=O)CC(C)(C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000237128270 629287823 /nfs/dbraw/zinc/28/78/23/629287823.db2.gz VOXZAWWTCRZZJM-UHFFFAOYSA-N 1 0 265.353 2.440 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(C)cc1O ZINC000794807784 629326268 /nfs/dbraw/zinc/32/62/68/629326268.db2.gz LQWXMJLZNMHVRR-GDBMZVCRSA-N 1 0 292.423 2.462 20 10 CECDRO COc1cccc(C[NH2+]Cc2nccn2C2CC2)c1O ZINC000894457840 629471366 /nfs/dbraw/zinc/47/13/66/629471366.db2.gz JBTYZEFUFIACQE-UHFFFAOYSA-N 1 0 273.336 2.222 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)c1O ZINC000894487111 629488366 /nfs/dbraw/zinc/48/83/66/629488366.db2.gz GJFZIOOOYHZVDU-CHWSQXEVSA-N 1 0 278.396 2.234 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)COC(C)=O)c1 ZINC000894502806 629498828 /nfs/dbraw/zinc/49/88/28/629498828.db2.gz UJLPJWJAZIJHLN-NXEZZACHSA-N 1 0 267.325 2.003 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCC=CO2)c1O ZINC000894530741 629515111 /nfs/dbraw/zinc/51/51/11/629515111.db2.gz MAZZTXCBSPAWPO-ZDUSSCGKSA-N 1 0 263.337 2.492 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c(O)c1OC ZINC000894749987 629620690 /nfs/dbraw/zinc/62/06/90/629620690.db2.gz FMBRDDJYHOVSSO-WCQYABFASA-N 1 0 295.379 2.050 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(C)(C)O ZINC000894863761 629701177 /nfs/dbraw/zinc/70/11/77/629701177.db2.gz REOFEBUIPAXUJT-CYBMUJFWSA-N 1 0 267.369 2.348 20 10 CECDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895111609 629911054 /nfs/dbraw/zinc/91/10/54/629911054.db2.gz GUCJLZQJLMQMNN-YPMHNXCESA-N 1 0 297.395 2.296 20 10 CECDRO CC[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)C(=O)OC ZINC000895120746 629923429 /nfs/dbraw/zinc/92/34/29/629923429.db2.gz BBUPDHHBGNVLJK-GFCCVEGCSA-N 1 0 265.353 2.298 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c1O ZINC000895461194 630203080 /nfs/dbraw/zinc/20/30/80/630203080.db2.gz ZFZUMVGUONBEML-CYBMUJFWSA-N 1 0 279.380 2.302 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC(=O)N1CCc2ccccc21 ZINC000895488783 630216399 /nfs/dbraw/zinc/21/63/99/630216399.db2.gz UGXMVSUQHVELBB-UHFFFAOYSA-N 1 0 296.370 2.380 20 10 CECDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841299619 630217851 /nfs/dbraw/zinc/21/78/51/630217851.db2.gz LNDKCTQRFHWYGR-SWLSCSKDSA-N 1 0 288.395 2.359 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](CO)Cc2ccoc2)c1O ZINC000895586548 630262075 /nfs/dbraw/zinc/26/20/75/630262075.db2.gz XBRCGIKPNGJITA-CQSZACIVSA-N 1 0 289.375 2.488 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895845120 630368336 /nfs/dbraw/zinc/36/83/36/630368336.db2.gz NFOVRPMKYOBSAB-IUODEOHRSA-N 1 0 277.364 2.402 20 10 CECDRO COC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCCOC1 ZINC000895853829 630377729 /nfs/dbraw/zinc/37/77/29/630377729.db2.gz HXHZYVSZJLKWGA-SMDDNHRTSA-N 1 0 283.343 2.063 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@H]1CCCOC1 ZINC000895857385 630379210 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ZINC000800285684 631106638 /nfs/dbraw/zinc/10/66/38/631106638.db2.gz OWXDVUQEBAERFN-UHFFFAOYSA-N 1 0 289.379 2.142 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1O ZINC000305734066 631118920 /nfs/dbraw/zinc/11/89/20/631118920.db2.gz LHQDZGHAOQVYSU-CQSZACIVSA-N 1 0 295.354 2.469 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928706598 631129039 /nfs/dbraw/zinc/12/90/39/631129039.db2.gz RKTICQNMBITIGP-LBPRGKRZSA-N 1 0 280.343 2.020 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000801549359 631288345 /nfs/dbraw/zinc/28/83/45/631288345.db2.gz LELXSPCOIIYEPH-HNNXBMFYSA-N 1 0 290.407 2.473 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)cc1O ZINC000841747530 631574989 /nfs/dbraw/zinc/57/49/89/631574989.db2.gz CFYDCDGUSUQFSM-GXSJLCMTSA-N 1 0 294.782 2.460 20 10 CECDRO Cc1cc(O)c(CN2CC[NH2+]C[C@H]2C(F)F)cc1C ZINC000843124975 631736490 /nfs/dbraw/zinc/73/64/90/631736490.db2.gz UEMYHWDDKKOCGH-LBPRGKRZSA-N 1 0 270.323 2.048 20 10 CECDRO Cc1cc(O)c(CN2CC[NH2+]C[C@](C)(F)C2)c(Cl)c1 ZINC000843124707 631736567 /nfs/dbraw/zinc/73/65/67/631736567.db2.gz FTSUZKIBKWOYSD-AWEZNQCLSA-N 1 0 286.778 2.487 20 10 CECDRO COC[C@H]1CC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000840084932 631812996 /nfs/dbraw/zinc/81/29/96/631812996.db2.gz YPZHCWBTKFLALY-OAHLLOKOSA-N 1 0 261.365 2.492 20 10 CECDRO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(N(C)C)cc1 ZINC000808406403 631959243 /nfs/dbraw/zinc/95/92/43/631959243.db2.gz HLVHKMDOLBOIJL-LBPRGKRZSA-N 1 0 258.369 2.337 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)c1O ZINC000808706393 632002890 /nfs/dbraw/zinc/00/28/90/632002890.db2.gz JBIHUBGZZQGNTN-VHSXEESVSA-N 1 0 284.787 2.481 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c1O ZINC000808715817 632005742 /nfs/dbraw/zinc/00/57/42/632005742.db2.gz XNQXPRRAQAQMLA-NHYWBVRUSA-N 1 0 298.814 2.071 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CC[C@H](O)C2CC2)cc1F ZINC000898199053 632112383 /nfs/dbraw/zinc/11/23/83/632112383.db2.gz JLSYCWCAORLGJM-HNNXBMFYSA-N 1 0 284.350 2.281 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@](C)(CO)C(C)C)c1 ZINC000810173030 632191107 /nfs/dbraw/zinc/19/11/07/632191107.db2.gz VKWGMFBCVWFOAV-OAHLLOKOSA-N 1 0 267.369 2.288 20 10 CECDRO Oc1cc(OCc2ccccc2)ccc1CN[C@@H]1CC[NH2+]C1 ZINC000841044792 632347709 /nfs/dbraw/zinc/34/77/09/632347709.db2.gz IEEWDJYGGVXLLJ-MRXNPFEDSA-N 1 0 298.386 2.423 20 10 CECDRO CCN(CC)c1ccc(CNC[C@H]([NH3+])C2CC2)cc1 ZINC000841049285 632352901 /nfs/dbraw/zinc/35/29/01/632352901.db2.gz JBTMFBPEAYXBPO-INIZCTEOSA-N 1 0 261.413 2.360 20 10 CECDRO CN(C)c1ccc([C@@H](C[NH2+]C2CCOCC2)N(C)C)cc1 ZINC000898449400 632499219 /nfs/dbraw/zinc/49/92/19/632499219.db2.gz DOCZKEKJBUTNBK-QGZVFWFLSA-N 1 0 291.439 2.124 20 10 CECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000898482079 632509129 /nfs/dbraw/zinc/50/91/29/632509129.db2.gz YDHNNLZWGJPYDF-MFKMUULPSA-N 1 0 281.327 2.353 20 10 CECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000898482501 632509158 /nfs/dbraw/zinc/50/91/58/632509158.db2.gz XPRDGOQVFZSYKN-YPMHNXCESA-N 1 0 293.363 2.222 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc3cnccn23)c1 ZINC000813331774 632670968 /nfs/dbraw/zinc/67/09/68/632670968.db2.gz USGOJRGOGKAPTQ-NSHDSACASA-N 1 0 298.346 2.294 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)CCOCCOC)cc1 ZINC000815120048 632963375 /nfs/dbraw/zinc/96/33/75/632963375.db2.gz MZYNVSJBVZZIRA-UHFFFAOYSA-N 1 0 280.412 2.238 20 10 CECDRO O=C(C[NH2+]Cc1ccc2ccccc2c1O)NCC1CC1 ZINC000816564433 633413095 /nfs/dbraw/zinc/41/30/95/633413095.db2.gz GAOJMJXAAMHCGN-UHFFFAOYSA-N 1 0 284.359 2.161 20 10 CECDRO COC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)OC ZINC000816566405 633414079 /nfs/dbraw/zinc/41/40/79/633414079.db2.gz UUKKYNMXGXTXCO-AWEZNQCLSA-N 1 0 275.348 2.296 20 10 CECDRO OC[C@@]12C[C@@H]1C[N@H+](Cc1ccc3ccccc3c1O)C2 ZINC000816586589 633417723 /nfs/dbraw/zinc/41/77/23/633417723.db2.gz MHKKTXYXLNSNKX-PBHICJAKSA-N 1 0 269.344 2.360 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@H]1C ZINC000816649639 633457148 /nfs/dbraw/zinc/45/71/48/633457148.db2.gz GCIOYWRUJWXOAJ-KGLIPLIRSA-N 1 0 260.381 2.363 20 10 CECDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(F)ccc1O ZINC000816660828 633459199 /nfs/dbraw/zinc/45/91/99/633459199.db2.gz QTPZTUWIVNLWKL-CYBMUJFWSA-N 1 0 252.333 2.057 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)cc1 ZINC000817288467 633620053 /nfs/dbraw/zinc/62/00/53/633620053.db2.gz JJHJCLYEJBXXPM-BBRMVZONSA-N 1 0 262.397 2.488 20 10 CECDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000817412187 633651230 /nfs/dbraw/zinc/65/12/30/633651230.db2.gz GCULHNPOQWAHEY-XYPYZODXSA-N 1 0 296.798 2.427 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)c(O)c1C ZINC000817585786 633701947 /nfs/dbraw/zinc/70/19/47/633701947.db2.gz IABJJIXBBCILIE-GFCCVEGCSA-N 1 0 276.380 2.315 20 10 CECDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2ccccc2O)CC1=O ZINC000817590158 633703761 /nfs/dbraw/zinc/70/37/61/633703761.db2.gz UYYSORBSIZSHAG-CHWSQXEVSA-N 1 0 276.380 2.301 20 10 CECDRO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817942637 633790808 /nfs/dbraw/zinc/79/08/08/633790808.db2.gz QEOAHJROVKVJBC-CZUORRHYSA-N 1 0 284.407 2.498 20 10 CECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC000817947793 633794022 /nfs/dbraw/zinc/79/40/22/633794022.db2.gz RDWNZWGIAMCBKL-QFWMXSHPSA-N 1 0 292.379 2.099 20 10 CECDRO C[C@@H]1C[C@@H](NCC[NH2+]C2CC2)c2c1c(F)ccc2O ZINC000817951943 633795782 /nfs/dbraw/zinc/79/57/82/633795782.db2.gz BRSSXYRFPFPCGX-BXKDBHETSA-N 1 0 264.344 2.421 20 10 CECDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1cnn(C)c1 ZINC000817955668 633800220 /nfs/dbraw/zinc/80/02/20/633800220.db2.gz DVIUXHMOCBYTEN-OAHLLOKOSA-N 1 0 258.369 2.286 20 10 CECDRO C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817965514 633808247 /nfs/dbraw/zinc/80/82/47/633808247.db2.gz WJAXCZASCFWKTL-NSHDSACASA-N 1 0 293.367 2.341 20 10 CECDRO C[C@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817969573 633811869 /nfs/dbraw/zinc/81/18/69/633811869.db2.gz XMPJMWMKSLIYNG-UMNHJUIQSA-N 1 0 264.344 2.421 20 10 CECDRO CC[C@@H](NC[C@@]1(COC)CCC[NH2+]1)c1ccccc1O ZINC000817973366 633816959 /nfs/dbraw/zinc/81/69/59/633816959.db2.gz DSFRTBPRJLBPTI-GDBMZVCRSA-N 1 0 278.396 2.202 20 10 CECDRO CCN(C)c1ccc([C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000817977090 633820310 /nfs/dbraw/zinc/82/03/10/633820310.db2.gz AVEBVDBYBXQOHH-FWYOQMDTSA-N 1 0 259.397 2.011 20 10 CECDRO C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817984807 633828491 /nfs/dbraw/zinc/82/84/91/633828491.db2.gz AIJPLLNWXSAIOI-NSHDSACASA-N 1 0 264.344 2.492 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cc[nH]n3)C2)cc1 ZINC000818222348 633889045 /nfs/dbraw/zinc/88/90/45/633889045.db2.gz XQUHVDJHLGPIKU-CYBMUJFWSA-N 1 0 286.379 2.034 20 10 CECDRO Nc1ccc(CCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000818545074 633943057 /nfs/dbraw/zinc/94/30/57/633943057.db2.gz FORCEQVLOUPZLK-HOTGVXAUSA-N 1 0 289.423 2.225 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000818615117 633960668 /nfs/dbraw/zinc/96/06/68/633960668.db2.gz LYXGQONQOLCKDC-ZWKOPEQDSA-N 1 0 279.340 2.221 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1C ZINC000819895760 634277310 /nfs/dbraw/zinc/27/73/10/634277310.db2.gz CKBYQHDIZCPWLB-HNNXBMFYSA-N 1 0 286.379 2.438 20 10 CECDRO COC[C@@H](C)C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822494476 634930756 /nfs/dbraw/zinc/93/07/56/634930756.db2.gz POQWOVLGPGYMBV-LSDHHAIUSA-N 1 0 292.423 2.394 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000822498155 634931077 /nfs/dbraw/zinc/93/10/77/634931077.db2.gz VHOTZPUKIGESJI-MRXNPFEDSA-N 1 0 285.395 2.181 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C2([NH+](C)C)CC2)cc1 ZINC000822608897 634952071 /nfs/dbraw/zinc/95/20/71/634952071.db2.gz YYIUXQKRXUABSJ-UHFFFAOYSA-N 1 0 289.423 2.243 20 10 CECDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000194635052 634994464 /nfs/dbraw/zinc/99/44/64/634994464.db2.gz VIPCVNDAZKTXGR-MRXNPFEDSA-N 1 0 292.423 2.020 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCOC13CCOCC3)CC2 ZINC000903391144 635087944 /nfs/dbraw/zinc/08/79/44/635087944.db2.gz WFTOZEYGIMKFIT-DZGCQCFKSA-N 1 0 289.375 2.307 20 10 CECDRO Oc1ccccc1CN(C[C@H]1CCC[NH2+]1)C[C@H]1CCCO1 ZINC000903427598 635113894 /nfs/dbraw/zinc/11/38/94/635113894.db2.gz YIOBWJFWARBQMJ-HZPDHXFCSA-N 1 0 290.407 2.125 20 10 CECDRO Cc1cccc(CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903983440 635403003 /nfs/dbraw/zinc/40/30/03/635403003.db2.gz IIRAHRXKYKKURG-NWDGAFQWSA-N 1 0 288.313 2.412 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]2C2CC2)cc1OC ZINC000824650770 635469706 /nfs/dbraw/zinc/46/97/06/635469706.db2.gz QOWJHZOKWPPYDI-GFCCVEGCSA-N 1 0 263.337 2.394 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@H]1C ZINC000824815477 635504769 /nfs/dbraw/zinc/50/47/69/635504769.db2.gz QJLCUNZDLJELPH-QMTHXVAHSA-N 1 0 253.317 2.388 20 10 CECDRO COc1cccc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1O ZINC000824846241 635510358 /nfs/dbraw/zinc/51/03/58/635510358.db2.gz QIQIZGJKTNUVOE-HOCLYGCPSA-N 1 0 291.391 2.288 20 10 CECDRO OC[C@H]([C@@H]([NH2+]Cc1cc(F)ccc1O)C1CC1)C1CC1 ZINC000824846437 635510398 /nfs/dbraw/zinc/51/03/98/635510398.db2.gz SCGIWWTUMNMUOO-HOCLYGCPSA-N 1 0 279.355 2.418 20 10 CECDRO COc1cccc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1O ZINC000824846239 635510908 /nfs/dbraw/zinc/51/09/08/635510908.db2.gz QIQIZGJKTNUVOE-GOEBONIOSA-N 1 0 291.391 2.288 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c(O)c1 ZINC000825035062 635544591 /nfs/dbraw/zinc/54/45/91/635544591.db2.gz BFSLHKIXSZELBA-DOMZBBRYSA-N 1 0 279.380 2.432 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1 ZINC000825045562 635548989 /nfs/dbraw/zinc/54/89/89/635548989.db2.gz HBNFKRPAMFZQTD-NWDGAFQWSA-N 1 0 289.379 2.416 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)C(C)C)cc1Cl ZINC000825278231 635604770 /nfs/dbraw/zinc/60/47/70/635604770.db2.gz JCUUYHPCTGOORE-CYBMUJFWSA-N 1 0 257.761 2.461 20 10 CECDRO CC[S@@](=O)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825282922 635605254 /nfs/dbraw/zinc/60/52/54/635605254.db2.gz AVBUJTCDXUAGFV-QGZVFWFLSA-N 1 0 275.801 2.212 20 10 CECDRO C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1C[NH3+] ZINC000904412409 635620076 /nfs/dbraw/zinc/62/00/76/635620076.db2.gz VISJPLGYSKDOIO-WDEREUQCSA-N 1 0 268.788 2.462 20 10 CECDRO O=C([C@H]1CC[N@@H+]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000825356220 635624747 /nfs/dbraw/zinc/62/47/47/635624747.db2.gz NNOFHKJPDVNMNE-OAHLLOKOSA-N 1 0 286.375 2.251 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C[S@](C)=O)cc1Cl ZINC000825498106 635647267 /nfs/dbraw/zinc/64/72/67/635647267.db2.gz VJEXKPKCKMDXFQ-XYZCENFISA-N 1 0 275.801 2.211 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)c2cccc(C[NH3+])c2)cc1 ZINC000825943135 635736623 /nfs/dbraw/zinc/73/66/23/635736623.db2.gz YPMBCBNAMLABKI-UHFFFAOYSA-N 1 0 297.402 2.484 20 10 CECDRO COCC[C@@H](COC)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825948873 635737804 /nfs/dbraw/zinc/73/78/04/635737804.db2.gz LTUJQVYOTDLCIL-LBPRGKRZSA-N 1 0 287.787 2.495 20 10 CECDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826049757 635752412 /nfs/dbraw/zinc/75/24/12/635752412.db2.gz ZDNOVWBMEJUTRP-ABAIWWIYSA-N 1 0 299.798 2.495 20 10 CECDRO COc1cc(O)c(C[NH2+]CCC2CC(OC)C2)cc1OC ZINC000826796533 635848805 /nfs/dbraw/zinc/84/88/05/635848805.db2.gz JZSWVTHFOMWXOP-UHFFFAOYSA-N 1 0 295.379 2.314 20 10 CECDRO CO[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)[C@H]1CCOC1 ZINC000826821712 635854694 /nfs/dbraw/zinc/85/46/94/635854694.db2.gz BIYCXLQOZCDWPV-NHYWBVRUSA-N 1 0 299.798 2.495 20 10 CECDRO COC[C@@H](C)C[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000826846442 635860624 /nfs/dbraw/zinc/86/06/24/635860624.db2.gz URKSRRGTWJDQFS-UONOGXRCSA-N 1 0 278.396 2.146 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])c2ncnn21 ZINC000826888585 635871991 /nfs/dbraw/zinc/87/19/91/635871991.db2.gz IWSBJGTVOUHZMX-KCJUWKMLSA-N 1 0 278.743 2.433 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1O ZINC000827134021 636230215 /nfs/dbraw/zinc/23/02/15/636230215.db2.gz ZRPPCKDBSYRAAW-DZGCQCFKSA-N 1 0 288.391 2.055 20 10 CECDRO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827289296 636281940 /nfs/dbraw/zinc/28/19/40/636281940.db2.gz BCZBLEMKYJQGGI-GXFFZTMASA-N 1 0 298.180 2.111 20 10 CECDRO C[N@H+](CC[S@@](C)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000827337371 636297563 /nfs/dbraw/zinc/29/75/63/636297563.db2.gz VVWYZNAWZBIXHL-HXUWFJFHSA-N 1 0 294.464 2.487 20 10 CECDRO OC[C@@H](C[NH2+]Cc1cc(F)ccc1O)CC1CC1 ZINC000827358899 636303648 /nfs/dbraw/zinc/30/36/48/636303648.db2.gz GCLDOINCTVWXOO-LLVKDONJSA-N 1 0 253.317 2.030 20 10 CECDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827662395 636380698 /nfs/dbraw/zinc/38/06/98/636380698.db2.gz QISXTXJJFXGONV-DZGCQCFKSA-N 1 0 274.408 2.393 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c1O ZINC000827699254 636396556 /nfs/dbraw/zinc/39/65/56/636396556.db2.gz FUMZEXZIAVVANV-BLLLJJGKSA-N 1 0 279.380 2.241 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3OCCO3)C1)CCC2 ZINC000905693697 636406509 /nfs/dbraw/zinc/40/65/09/636406509.db2.gz BQZKHJOUOZGEIS-AWEZNQCLSA-N 1 0 289.375 2.076 20 10 CECDRO CN(C)c1ccc(CNC(=O)NCCCCCC[NH3+])cc1 ZINC000831093843 637229776 /nfs/dbraw/zinc/22/97/76/637229776.db2.gz GILQXMHKTWIOBI-UHFFFAOYSA-N 1 0 292.427 2.071 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)ccc1N(C)C ZINC000831181532 637247691 /nfs/dbraw/zinc/24/76/91/637247691.db2.gz OLHKVMTWBAZERE-HNNXBMFYSA-N 1 0 284.350 2.263 20 10 CECDRO CCC[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292282 637535609 /nfs/dbraw/zinc/53/56/09/637535609.db2.gz DWYKYKAALPVDGL-WFASDCNBSA-N 1 0 277.412 2.305 20 10 CECDRO CCCCCC[N@H+](C)CC(=O)NCCc1ccc(N)cc1 ZINC000832659246 637636078 /nfs/dbraw/zinc/63/60/78/637636078.db2.gz WKZXTYTZKGSPEW-UHFFFAOYSA-N 1 0 291.439 2.440 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)CCC1C[NH2+]C1 ZINC000876633707 650368989 /nfs/dbraw/zinc/36/89/89/650368989.db2.gz WMALKMNFJUTVPZ-UHFFFAOYSA-N 1 0 276.380 2.130 20 10 CECDRO COC1([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)CCOCC1 ZINC000834496764 637848267 /nfs/dbraw/zinc/84/82/67/637848267.db2.gz PPRRXPQQICUDEU-AWEZNQCLSA-N 1 0 292.423 2.426 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)CC2 ZINC000834502628 637849385 /nfs/dbraw/zinc/84/93/85/637849385.db2.gz RKSYMSZCMJOAED-ZBFHGGJFSA-N 1 0 299.370 2.409 20 10 CECDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834559113 637865823 /nfs/dbraw/zinc/86/58/23/637865823.db2.gz ZPJYWGFEJRMOBR-CHWSQXEVSA-N 1 0 290.363 2.200 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000834844944 637968473 /nfs/dbraw/zinc/96/84/73/637968473.db2.gz WILMXXGOOMYBDD-SWLSCSKDSA-N 1 0 267.369 2.139 20 10 CECDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000834898635 637981530 /nfs/dbraw/zinc/98/15/30/637981530.db2.gz AJZLRXRKYLBSGW-JQWIXIFHSA-N 1 0 264.369 2.184 20 10 CECDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000834900104 637981731 /nfs/dbraw/zinc/98/17/31/637981731.db2.gz MDYKYEVSJSDNQG-RKDXNWHRSA-N 1 0 270.760 2.221 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c(O)c1 ZINC000834909631 637985233 /nfs/dbraw/zinc/98/52/33/637985233.db2.gz STKFABQJUNIZJT-LRDDRELGSA-N 1 0 276.380 2.328 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2([S@@](C)=O)CC2)cc1 ZINC000835052670 638040687 /nfs/dbraw/zinc/04/06/87/638040687.db2.gz PWVZDLZWUGRXNF-DPZZJQGRSA-N 1 0 292.448 2.267 20 10 CECDRO COCCOCC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835057004 638042619 /nfs/dbraw/zinc/04/26/19/638042619.db2.gz XLDHZFJDFAOZGM-WAYWQWQTSA-N 1 0 292.423 2.361 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000876678214 650394823 /nfs/dbraw/zinc/39/48/23/650394823.db2.gz IPIJEKMTCPZWAG-CYBMUJFWSA-N 1 0 277.364 2.286 20 10 CECDRO Cc1ccc(CN2CC[NH+](C3CCC3)CC2)c(O)c1 ZINC000876734078 650413804 /nfs/dbraw/zinc/41/38/04/650413804.db2.gz OOTZFMNQCAZFRK-UHFFFAOYSA-N 1 0 260.381 2.371 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876767148 650425648 /nfs/dbraw/zinc/42/56/48/650425648.db2.gz CFQCTILSIRQLNS-HUUCEWRRSA-N 1 0 289.423 2.051 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000876805657 650440481 /nfs/dbraw/zinc/44/04/81/650440481.db2.gz DSHRYPBTZZAKPL-HOTGVXAUSA-N 1 0 277.364 2.080 20 10 CECDRO CC[N@H+](CCNC(=O)N(C)Cc1ccccc1O)C(C)C ZINC000102571622 638699786 /nfs/dbraw/zinc/69/97/86/638699786.db2.gz WRSCFIVWLCZKAN-UHFFFAOYSA-N 1 0 293.411 2.264 20 10 CECDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3cccnn3)CC2)c1 ZINC000164259231 639357355 /nfs/dbraw/zinc/35/73/55/639357355.db2.gz CLAAHXDKNLBRPR-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](N3CC=CC3)C2)c1 ZINC000164406283 639373071 /nfs/dbraw/zinc/37/30/71/639373071.db2.gz FEKMEFAOKJPIIJ-INIZCTEOSA-N 1 0 272.392 2.455 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)c(O)c1 ZINC000876933830 650492446 /nfs/dbraw/zinc/49/24/46/650492446.db2.gz AEFUQLUUDCYPBR-HUUCEWRRSA-N 1 0 260.381 2.417 20 10 CECDRO [O-]c1c(Br)cccc1C[NH2+]C1(CO)CCC1 ZINC000157491636 639493632 /nfs/dbraw/zinc/49/36/32/639493632.db2.gz BFVBJJWNMUAFFZ-UHFFFAOYSA-N 1 0 286.169 2.159 20 10 CECDRO Cc1noc(C)c1C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000046478230 639551224 /nfs/dbraw/zinc/55/12/24/639551224.db2.gz ILRGYCSRIZJXTO-UHFFFAOYSA-N 1 0 290.319 2.358 20 10 CECDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1OC)c1ccc(N(C)C)cc1 ZINC000840824541 639553647 /nfs/dbraw/zinc/55/36/47/639553647.db2.gz ODQMTVHIFBGAKE-XHSDSOJGSA-N 1 0 278.396 2.207 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cc(Cl)ccc1O ZINC000840833745 639556887 /nfs/dbraw/zinc/55/68/87/639556887.db2.gz PJKRJVYMUUFRQM-BXKDBHETSA-N 1 0 282.771 2.222 20 10 CECDRO CCn1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000840840678 639558950 /nfs/dbraw/zinc/55/89/50/639558950.db2.gz NKFPBYPAEZTXLT-CYBMUJFWSA-N 1 0 257.337 2.386 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CCOC[C@@H]2C)c(Cl)c1 ZINC000840888675 639573670 /nfs/dbraw/zinc/57/36/70/639573670.db2.gz BXNJFIMCYZUOGP-LBPRGKRZSA-N 1 0 298.814 2.164 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CCO[C@H](C)C2)c(Cl)c1 ZINC000840889555 639573996 /nfs/dbraw/zinc/57/39/96/639573996.db2.gz IJZPHCRUXXQXLA-GFCCVEGCSA-N 1 0 298.814 2.164 20 10 CECDRO COCC1(O)CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840918513 639586089 /nfs/dbraw/zinc/58/60/89/639586089.db2.gz UQYKMZAONAUDCL-UHFFFAOYSA-N 1 0 299.798 2.327 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@](C)(O)C1CC1 ZINC000840933918 639591224 /nfs/dbraw/zinc/59/12/24/639591224.db2.gz KCYIOORQMWGWJT-INIZCTEOSA-N 1 0 262.397 2.312 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)C[S@@](C)=O)c(Cl)c1 ZINC000840940111 639593437 /nfs/dbraw/zinc/59/34/37/639593437.db2.gz VODNPERCFODPGS-VVVCHXIZSA-N 1 0 275.801 2.211 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CS[C@H](C)C2)cc1OC ZINC000840958829 639601718 /nfs/dbraw/zinc/60/17/18/639601718.db2.gz OLZJOGMFWYKJHO-MWLCHTKSSA-N 1 0 283.393 2.393 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000841026684 639620115 /nfs/dbraw/zinc/62/01/15/639620115.db2.gz PAUYYZDDRCRGFJ-NBQNJAIASA-N 1 0 285.435 2.450 20 10 CECDRO Cc1cc(Br)cc(CN2CC[C@H]([NH3+])[C@@H]2C)c1O ZINC000841024172 639620191 /nfs/dbraw/zinc/62/01/91/639620191.db2.gz JFLDMNQMILCIHJ-CABZTGNLSA-N 1 0 299.212 2.385 20 10 CECDRO Nc1ccc(CC[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000841036485 639627992 /nfs/dbraw/zinc/62/79/92/639627992.db2.gz SMCBBAOYIKPFGZ-UHFFFAOYSA-N 1 0 296.418 2.465 20 10 CECDRO C[C@@H](CC(=O)NCc1ccccc1O)[C@@H]1CCC[NH2+]C1 ZINC000228423516 639633812 /nfs/dbraw/zinc/63/38/12/639633812.db2.gz ZQGSEDRNSQLXEA-QWHCGFSZSA-N 1 0 276.380 2.034 20 10 CECDRO C[C@H](CN)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841059776 639637154 /nfs/dbraw/zinc/63/71/54/639637154.db2.gz CAOZAPYLTDMKPP-CYBMUJFWSA-N 1 0 286.375 2.408 20 10 CECDRO CCN(CC)c1ccc(CN[C@H](C)[C@H](C)[NH3+])cc1F ZINC000841077038 639647370 /nfs/dbraw/zinc/64/73/70/639647370.db2.gz XBRVJCXYOSSZTQ-NWDGAFQWSA-N 1 0 267.392 2.497 20 10 CECDRO CN(C)c1ccc(CN[C@H](C[NH3+])C(C)(C)C)cc1F ZINC000841086963 639651568 /nfs/dbraw/zinc/65/15/68/639651568.db2.gz FZIJJQPSYFMCDN-CQSZACIVSA-N 1 0 267.392 2.355 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1C[NH3+] ZINC000841101124 639663821 /nfs/dbraw/zinc/66/38/21/639663821.db2.gz OJLIOPZBTSCBJZ-PWSUYJOCSA-N 1 0 268.788 2.462 20 10 CECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(N)cc1 ZINC000841300099 639732539 /nfs/dbraw/zinc/73/25/39/639732539.db2.gz NEPKJUQKDXRJSM-ZDUSSCGKSA-N 1 0 276.384 2.265 20 10 CECDRO CCOc1cccc(C[NH2+][C@]2(C)CCO[C@@H]2C)c1O ZINC000230153085 639742222 /nfs/dbraw/zinc/74/22/22/639742222.db2.gz KHFYYFRPNDHFIN-IAQYHMDHSA-N 1 0 265.353 2.448 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CC=CC3)C2)cc1C ZINC000172932420 639826530 /nfs/dbraw/zinc/82/65/30/639826530.db2.gz RFQONASROUICKU-MRXNPFEDSA-N 1 0 272.392 2.455 20 10 CECDRO C[C@H](C[S@](C)=O)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841753910 639858202 /nfs/dbraw/zinc/85/82/02/639858202.db2.gz OJGAGXNEKLHNTM-MHIIWPAESA-N 1 0 275.801 2.463 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CCC[NH3+] ZINC000841999234 639917545 /nfs/dbraw/zinc/91/75/45/639917545.db2.gz DRSFFMAEMCVBRY-ZDUSSCGKSA-N 1 0 293.411 2.441 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]([NH3+])CC ZINC000842003429 639918397 /nfs/dbraw/zinc/91/83/97/639918397.db2.gz BOWVBTSUTYRYGU-CYBMUJFWSA-N 1 0 279.384 2.051 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)OC)c1 ZINC000174594454 639936923 /nfs/dbraw/zinc/93/69/23/639936923.db2.gz NWLZINNYQWGLAV-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO CCOC1CC(C[NH2+]Cc2cc(OC)ccc2O)C1 ZINC000877035114 650541344 /nfs/dbraw/zinc/54/13/44/650541344.db2.gz CNWBRMOTWQJVJR-UHFFFAOYSA-N 1 0 265.353 2.306 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCC[C@H]2CCO2)c1 ZINC000877036676 650542290 /nfs/dbraw/zinc/54/22/90/650542290.db2.gz SMSKOEHUCYEVDG-LBPRGKRZSA-N 1 0 251.326 2.060 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCC[C@@H]2CCO2)c1 ZINC000877036675 650542345 /nfs/dbraw/zinc/54/23/45/650542345.db2.gz SMSKOEHUCYEVDG-GFCCVEGCSA-N 1 0 251.326 2.060 20 10 CECDRO Cc1ccc(C[NH2+]CC[S@@](=O)C(C)(C)C)c(O)c1 ZINC000877055392 650550916 /nfs/dbraw/zinc/55/09/16/650550916.db2.gz MPZKLRYMHVJMMT-GOSISDBHSA-N 1 0 269.410 2.337 20 10 CECDRO C[C@@H]1C[NH2+]CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000843047793 640252816 /nfs/dbraw/zinc/25/28/16/640252816.db2.gz VIHHOHRNXOTLHE-ZRUQZJFASA-N 1 0 259.397 2.060 20 10 CECDRO C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843052783 640256306 /nfs/dbraw/zinc/25/63/06/640256306.db2.gz WEOIMXPFCYTYMB-GHMZBOCLSA-N 1 0 252.333 2.091 20 10 CECDRO Cc1cc(N(C)C)ccc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055663 640258408 /nfs/dbraw/zinc/25/84/08/640258408.db2.gz MVQLKURKFHABSG-QGZVFWFLSA-N 1 0 273.424 2.387 20 10 CECDRO CCN(CC)c1ccc(CN2CCO[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000843056921 640259862 /nfs/dbraw/zinc/25/98/62/640259862.db2.gz CAYZIMTZWAXRTM-YOEHRIQHSA-N 1 0 291.439 2.081 20 10 CECDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000843056962 640260249 /nfs/dbraw/zinc/26/02/49/640260249.db2.gz DHSDGMYJKUTSHS-NWDGAFQWSA-N 1 0 265.376 2.074 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000843057234 640260422 /nfs/dbraw/zinc/26/04/22/640260422.db2.gz HEHMSXPZAYGVTI-KBPBESRZSA-N 1 0 261.413 2.243 20 10 CECDRO CCC[C@H]1C[NH2+]CCN1Cc1cccc(F)c1O ZINC000843058664 640261150 /nfs/dbraw/zinc/26/11/50/640261150.db2.gz ZWWCCXHKYZTLRO-LBPRGKRZSA-N 1 0 252.333 2.105 20 10 CECDRO CN(C)c1ccc(CN(CC(C)(C)[NH3+])C2CC2)cc1 ZINC000843060982 640263886 /nfs/dbraw/zinc/26/38/86/640263886.db2.gz VQAJPKXRJJUBDX-UHFFFAOYSA-N 1 0 261.413 2.454 20 10 CECDRO CCOc1ccc(CN2CC[NH2+][C@@H](C(C)C)C2)c(O)c1 ZINC000843105924 640282790 /nfs/dbraw/zinc/28/27/90/640282790.db2.gz ZHSASULNMAQZQI-OAHLLOKOSA-N 1 0 278.396 2.221 20 10 CECDRO CCOc1ccc(O)c(CN(C)C2(C[NH3+])CCC2)c1 ZINC000843124513 640290749 /nfs/dbraw/zinc/29/07/49/640290749.db2.gz BTXLCCSFTJIKMC-UHFFFAOYSA-N 1 0 264.369 2.104 20 10 CECDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(C)c(C)cc1O ZINC000843122794 640290928 /nfs/dbraw/zinc/29/09/28/640290928.db2.gz UYRGNJXOHXFLAL-KBPBESRZSA-N 1 0 266.360 2.141 20 10 CECDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000228795188 640390856 /nfs/dbraw/zinc/39/08/56/640390856.db2.gz UJQGTKSGBNYBDD-LBPRGKRZSA-N 1 0 264.369 2.220 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C[NH3+])C2)c1O ZINC000843347004 640398386 /nfs/dbraw/zinc/39/83/86/640398386.db2.gz QMOWHEVKOJTNAH-LLVKDONJSA-N 1 0 296.798 2.419 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c1O ZINC000843351836 640399454 /nfs/dbraw/zinc/39/94/54/640399454.db2.gz GSERZFBGXYXICM-AOOOYVTPSA-N 1 0 296.798 2.430 20 10 CECDRO CC(=O)c1cc(F)cc(CN(C2CC2)[C@H]2CC[NH2+]C2)c1O ZINC000843361624 640404500 /nfs/dbraw/zinc/40/45/00/640404500.db2.gz MRUMVUBSZUUGBR-AWEZNQCLSA-N 1 0 292.354 2.060 20 10 CECDRO CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CC[C@H]1[NH3+] ZINC000843376556 640410199 /nfs/dbraw/zinc/41/01/99/640410199.db2.gz AXEXLBAIKFXIGQ-XHDPSFHLSA-N 1 0 294.370 2.293 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC(C)([NH3+])CC2)c1O ZINC000843376063 640410558 /nfs/dbraw/zinc/41/05/58/640410558.db2.gz TZJJAXRDGVROCG-UHFFFAOYSA-N 1 0 280.343 2.047 20 10 CECDRO Cc1ccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c(O)c1 ZINC000877133452 650589162 /nfs/dbraw/zinc/58/91/62/650589162.db2.gz BIZLSRHBWVUQNP-CQSZACIVSA-N 1 0 277.364 2.476 20 10 CECDRO C[C@@H](CNC(=O)Cc1ccc(N)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000844171217 640622881 /nfs/dbraw/zinc/62/28/81/640622881.db2.gz HABVOROWJKVLDT-KBPBESRZSA-N 1 0 289.423 2.190 20 10 CECDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877147673 650594826 /nfs/dbraw/zinc/59/48/26/650594826.db2.gz ZIBMZWJXLFCKPX-NEPJUHHUSA-N 1 0 264.369 2.093 20 10 CECDRO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000022005044 650596059 /nfs/dbraw/zinc/59/60/59/650596059.db2.gz XSDYIVHJWQYXQH-LLVKDONJSA-N 1 0 258.321 2.161 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cncc(C)n2)c1 ZINC000844311809 640672114 /nfs/dbraw/zinc/67/21/14/640672114.db2.gz FWMUBEZMNIXBSE-LBPRGKRZSA-N 1 0 287.363 2.393 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H](O)C(C)C)cc1 ZINC000844402958 640709555 /nfs/dbraw/zinc/70/95/55/640709555.db2.gz YBSRLWQWDKPDRW-MRXNPFEDSA-N 1 0 280.412 2.080 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(Cn3cnnc3)CC2)cc1 ZINC000844412429 640713816 /nfs/dbraw/zinc/71/38/16/640713816.db2.gz VVDFLMKSKVAUGK-UHFFFAOYSA-N 1 0 299.422 2.256 20 10 CECDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCc1c(O)cccc1F ZINC000916361581 640760699 /nfs/dbraw/zinc/76/06/99/640760699.db2.gz PNRXWEJOOTZBGN-NSHDSACASA-N 1 0 297.374 2.061 20 10 CECDRO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(O)ccc2ccccc21 ZINC000844741348 640822780 /nfs/dbraw/zinc/82/27/80/640822780.db2.gz KXFYFBKHAVCZQS-KQHSUYLTSA-N 1 0 287.384 2.251 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846142686 641199298 /nfs/dbraw/zinc/19/92/98/641199298.db2.gz GKWNAMWIRJJTKL-NEPJUHHUSA-N 1 0 294.395 2.356 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C)c1O ZINC000846145146 641200499 /nfs/dbraw/zinc/20/04/99/641200499.db2.gz LTAKUNWAHBWLDQ-MNOVXSKESA-N 1 0 252.358 2.002 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000846146779 641201635 /nfs/dbraw/zinc/20/16/35/641201635.db2.gz LLENTPHDJSUDAF-RYUDHWBXSA-N 1 0 275.352 2.337 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1O ZINC000846148256 641203333 /nfs/dbraw/zinc/20/33/33/641203333.db2.gz YTDDKLRMDFBLHU-NWDGAFQWSA-N 1 0 276.380 2.288 20 10 CECDRO CC[C@@H](O)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846151508 641204548 /nfs/dbraw/zinc/20/45/48/641204548.db2.gz ZFYBBUYDDBJJDX-GHMZBOCLSA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1O ZINC000846156307 641205814 /nfs/dbraw/zinc/20/58/14/641205814.db2.gz DIZRAMLHOFOELZ-IJLUTSLNSA-N 1 0 265.353 2.355 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1O ZINC000846157901 641207113 /nfs/dbraw/zinc/20/71/13/641207113.db2.gz PFOWYRPGLCWBLQ-RKDXNWHRSA-N 1 0 293.285 2.365 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC2=CCOCC2)c1O ZINC000846171087 641211286 /nfs/dbraw/zinc/21/12/86/641211286.db2.gz RHCIFKXYMCGNEH-NSHDSACASA-N 1 0 263.337 2.398 20 10 CECDRO COCC[C@H](COC)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846172921 641212984 /nfs/dbraw/zinc/21/29/84/641212984.db2.gz PPESYYTYJYQJFA-NWDGAFQWSA-N 1 0 283.368 2.103 20 10 CECDRO C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000846188437 641217919 /nfs/dbraw/zinc/21/79/19/641217919.db2.gz GESKGGIGNFTQJC-HONMWMINSA-N 1 0 288.391 2.186 20 10 CECDRO C[C@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Cl)ccc1O ZINC000846192182 641218185 /nfs/dbraw/zinc/21/81/85/641218185.db2.gz FWZLZQPPULXMAJ-HZMBPMFUSA-N 1 0 285.771 2.238 20 10 CECDRO CC[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(C)cc1O ZINC000846193166 641218953 /nfs/dbraw/zinc/21/89/53/641218953.db2.gz KJOPSIGJDBGFRJ-GDBMZVCRSA-N 1 0 279.380 2.283 20 10 CECDRO CC[C@H]([NH2+]CCN1CCCC1=O)c1ccc(C)cc1O ZINC000846207176 641221892 /nfs/dbraw/zinc/22/18/92/641221892.db2.gz ZJKPWZVJEVNCEZ-AWEZNQCLSA-N 1 0 276.380 2.364 20 10 CECDRO C[C@@H]([NH2+][C@@H](CO)CCF)c1cc(Cl)ccc1O ZINC000846209840 641223059 /nfs/dbraw/zinc/22/30/59/641223059.db2.gz VUJDFTVEQAMKDZ-PSASIEDQSA-N 1 0 261.724 2.417 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CCF)c(O)c1C ZINC000846209341 641223497 /nfs/dbraw/zinc/22/34/97/641223497.db2.gz QJEANJRWWPHIRQ-VXGBXAGGSA-N 1 0 255.333 2.380 20 10 CECDRO CC1(O)CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000179724142 641377733 /nfs/dbraw/zinc/37/77/33/641377733.db2.gz HBWMHSDVVMGIOB-UHFFFAOYSA-N 1 0 255.745 2.392 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC2(OC)CCC2)c1 ZINC000181082683 641505918 /nfs/dbraw/zinc/50/59/18/641505918.db2.gz WYJXUKKQLIOGML-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000253195852 641619939 /nfs/dbraw/zinc/61/99/39/641619939.db2.gz SCFISVYYETWUPH-CMPLNLGQSA-N 1 0 298.814 2.471 20 10 CECDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1=CC(=O)CS1 ZINC000848392137 641975210 /nfs/dbraw/zinc/97/52/10/641975210.db2.gz VIJOFVITTRAPGC-NEPJUHHUSA-N 1 0 280.393 2.200 20 10 CECDRO O=C1O[C@@H](C[NH2+]Cc2c(O)cccc2Cl)CN1C1CC1 ZINC000848577250 642063086 /nfs/dbraw/zinc/06/30/86/642063086.db2.gz KIOKGAHUJHHQCM-JTQLQIEISA-N 1 0 296.754 2.118 20 10 CECDRO O=C1O[C@H](C[NH2+]Cc2cc(Cl)ccc2O)CN1C1CC1 ZINC000848578245 642064612 /nfs/dbraw/zinc/06/46/12/642064612.db2.gz PAOCMDSGEBZXAP-GFCCVEGCSA-N 1 0 296.754 2.118 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)COCCOC)c1O ZINC000848898727 642177752 /nfs/dbraw/zinc/17/77/52/642177752.db2.gz XQZRYLQNUJFHRM-LBPRGKRZSA-N 1 0 267.369 2.096 20 10 CECDRO CCc1cccc(C[NH2+]CCN2CC[C@H](C)C2)c1O ZINC000848899754 642178802 /nfs/dbraw/zinc/17/88/02/642178802.db2.gz JWPIODFXSKYCSN-ZDUSSCGKSA-N 1 0 262.397 2.386 20 10 CECDRO CCc1cccc(C[N@H+]2CCCN(CC)C(=O)C2)c1O ZINC000848904887 642181975 /nfs/dbraw/zinc/18/19/75/642181975.db2.gz CJWYHPVZZUWSKZ-UHFFFAOYSA-N 1 0 276.380 2.009 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1O ZINC000848913212 642187614 /nfs/dbraw/zinc/18/76/14/642187614.db2.gz RGJIPCCZQQGIBC-CYBMUJFWSA-N 1 0 285.334 2.404 20 10 CECDRO COc1ccc(O)c(C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000848922256 642194204 /nfs/dbraw/zinc/19/42/04/642194204.db2.gz OVRJGYBAWKBTMS-UHFFFAOYSA-N 1 0 255.264 2.242 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000083552447 642205211 /nfs/dbraw/zinc/20/52/11/642205211.db2.gz SQZRPVJYTIUQTH-SNVBAGLBSA-N 1 0 266.772 2.372 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])NCC(C)C ZINC000849009292 642226198 /nfs/dbraw/zinc/22/61/98/642226198.db2.gz SOWLCIDUSGPQSX-UHFFFAOYSA-N 1 0 262.401 2.331 20 10 CECDRO C[NH+]1CCN(c2ccc(/C=C\c3cnccn3)cc2)CC1 ZINC000849246294 642294608 /nfs/dbraw/zinc/29/46/08/642294608.db2.gz QXGGETJQAWIRDD-DJWKRKHSSA-N 1 0 280.375 2.399 20 10 CECDRO Cc1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c(O)c1 ZINC000877476049 650739832 /nfs/dbraw/zinc/73/98/32/650739832.db2.gz SGLNOPPTMMRLTO-UHFFFAOYSA-N 1 0 270.332 2.360 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c(O)c1 ZINC000877492637 650748701 /nfs/dbraw/zinc/74/87/01/650748701.db2.gz OHIRHWXXZKQGIA-KRWDZBQOSA-N 1 0 291.391 2.471 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000850011363 642540837 /nfs/dbraw/zinc/54/08/37/642540837.db2.gz OTQPPVSSTAAKBZ-KCPJHIHWSA-N 1 0 276.380 2.040 20 10 CECDRO CCCN(CCC)c1ccc(C[NH2+][C@H]2CCNC2=O)cc1 ZINC000850340172 642671956 /nfs/dbraw/zinc/67/19/56/642671956.db2.gz HYADQZZYXRCNRG-INIZCTEOSA-N 1 0 289.423 2.291 20 10 CECDRO COC[C@H](CC[NH2+]C/C=C/c1ccc(N(C)C)cc1)OC ZINC000850345595 642674179 /nfs/dbraw/zinc/67/41/79/642674179.db2.gz FQQFZWPKXTZDDZ-RTRPANQVSA-N 1 0 292.423 2.407 20 10 CECDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C12CCC2 ZINC000850388057 642695660 /nfs/dbraw/zinc/69/56/60/642695660.db2.gz GMHFMPYIPGQJFW-LSDHHAIUSA-N 1 0 259.349 2.015 20 10 CECDRO Cc1cncc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)n1 ZINC000850390710 642697721 /nfs/dbraw/zinc/69/77/21/642697721.db2.gz PEIMBROUJGDDGH-UHFFFAOYSA-N 1 0 288.370 2.322 20 10 CECDRO c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000850431023 642710799 /nfs/dbraw/zinc/71/07/99/642710799.db2.gz YIORVAPLHVQBMQ-AWEZNQCLSA-N 1 0 269.348 2.443 20 10 CECDRO CC[C@H](COC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566915 642753626 /nfs/dbraw/zinc/75/36/26/642753626.db2.gz UEHFWTYCYCUFSX-OAHLLOKOSA-N 1 0 292.423 2.162 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1nccn1C ZINC000850573219 642754707 /nfs/dbraw/zinc/75/47/07/642754707.db2.gz XCJBSLLZOHUFNH-CMPLNLGQSA-N 1 0 257.337 2.464 20 10 CECDRO OC1CCN(c2ccc(C[N@@H+]3CC[C@H](F)C3)cc2)CC1 ZINC000877558993 650788215 /nfs/dbraw/zinc/78/82/15/650788215.db2.gz HODVSDIQOJWHIC-AWEZNQCLSA-N 1 0 278.371 2.192 20 10 CECDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)ncn1 ZINC000921939091 642796959 /nfs/dbraw/zinc/79/69/59/642796959.db2.gz UDFLEBMTGKZLNH-UHFFFAOYSA-N 1 0 269.348 2.400 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCCO1 ZINC000922078724 642866623 /nfs/dbraw/zinc/86/66/23/642866623.db2.gz GUXAQOKWMQQZTK-NVXWUHKLSA-N 1 0 291.391 2.295 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000877570581 650794265 /nfs/dbraw/zinc/79/42/65/650794265.db2.gz PSPGMTXOKLEQKF-IBGZPJMESA-N 1 0 281.421 2.434 20 10 CECDRO CCC(C)(C)NC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109772457 642925975 /nfs/dbraw/zinc/92/59/75/642925975.db2.gz RMLLGKLSRZKNCN-UHFFFAOYSA-N 1 0 264.369 2.129 20 10 CECDRO CN(C)c1ccnc(C[NH2+]Cc2ccccc2O)c1 ZINC000922478350 643088096 /nfs/dbraw/zinc/08/80/96/643088096.db2.gz MEQDVSZPCJJXGL-UHFFFAOYSA-N 1 0 257.337 2.143 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CC(=O)N(C)C2)c(Cl)c1 ZINC000922484934 643091226 /nfs/dbraw/zinc/09/12/26/643091226.db2.gz RLECONVWDFDDIP-NSHDSACASA-N 1 0 296.798 2.312 20 10 CECDRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCN1C ZINC000922554739 643124533 /nfs/dbraw/zinc/12/45/33/643124533.db2.gz MJCHOKFNOPSTDE-QMTHXVAHSA-N 1 0 283.366 2.213 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@]2(OC)CCSC2)c(O)c1 ZINC000922572679 643131131 /nfs/dbraw/zinc/13/11/31/643131131.db2.gz ZGSOQSDCTGMVKT-OAHLLOKOSA-N 1 0 297.420 2.403 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CCC(=O)O1)c1ccc(N(C)C)cc1 ZINC000851950333 643240246 /nfs/dbraw/zinc/24/02/46/643240246.db2.gz NRAHCZRURIDFLW-RISCZKNCSA-N 1 0 262.353 2.109 20 10 CECDRO CCCOc1ccc(C[NH2+]CC[C@@H]2CNC(=O)C2)cc1C ZINC000922781082 643260584 /nfs/dbraw/zinc/26/05/84/643260584.db2.gz MGTZTHQFTLBGSO-HNNXBMFYSA-N 1 0 290.407 2.400 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000877636013 650827127 /nfs/dbraw/zinc/82/71/27/650827127.db2.gz KKFOIPRYJGEHGT-CYBMUJFWSA-N 1 0 290.407 2.437 20 10 CECDRO CC(C)(CNC(=O)c1cccc(O)c1O)[NH+]1CCCCC1 ZINC000186746365 643342421 /nfs/dbraw/zinc/34/24/21/643342421.db2.gz AFZAENRLWZFOKU-UHFFFAOYSA-N 1 0 292.379 2.092 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000877657987 650837163 /nfs/dbraw/zinc/83/71/63/650837163.db2.gz SFPGGPNKOAWEHV-QHRIQVFBSA-N 1 0 279.405 2.186 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCOC2CCOCC2)c1 ZINC000922934181 643462932 /nfs/dbraw/zinc/46/29/32/643462932.db2.gz QCOBORLOTNFUCF-UHFFFAOYSA-N 1 0 295.379 2.076 20 10 CECDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cc(C)ccc2O)C[C@@H]1C ZINC000877666598 650841797 /nfs/dbraw/zinc/84/17/97/650841797.db2.gz LVJKULUNUOHQCD-LRDDRELGSA-N 1 0 277.364 2.332 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2cncc(O)c2)c(O)c1 ZINC000922976857 643492518 /nfs/dbraw/zinc/49/25/18/643492518.db2.gz JPMRZOMPXUZFEE-UHFFFAOYSA-N 1 0 274.320 2.181 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC3(COC3)C2)c1[O-] ZINC000852683577 643510856 /nfs/dbraw/zinc/51/08/56/643510856.db2.gz KWEAMDPQYQIOHX-UHFFFAOYSA-N 1 0 295.766 2.471 20 10 CECDRO FC(F)Oc1ccc2c(c1)CCCN2C[C@@H]1C[NH2+]CCO1 ZINC000852745375 643530392 /nfs/dbraw/zinc/53/03/92/643530392.db2.gz SLSPBAUIZLHKHV-ZDUSSCGKSA-N 1 0 298.333 2.029 20 10 CECDRO COC(=O)c1coc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877699989 650857380 /nfs/dbraw/zinc/85/73/80/650857380.db2.gz UETHRPQTZIWFOL-UHFFFAOYSA-N 1 0 275.304 2.370 20 10 CECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc(C)ccc1O)C2 ZINC000877723324 650871560 /nfs/dbraw/zinc/87/15/60/650871560.db2.gz ZBAGZKOHRIIUOP-WWGRRREGSA-N 1 0 275.348 2.132 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CC2(C1)CCOCC2 ZINC000839140948 644172355 /nfs/dbraw/zinc/17/23/55/644172355.db2.gz KWFHKMLZTYRLPP-UHFFFAOYSA-N 1 0 251.301 2.144 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](CO)CC2CC2)c1O ZINC000754832743 644438057 /nfs/dbraw/zinc/43/80/57/644438057.db2.gz KFELDZAPOOOZQY-ZDUSSCGKSA-N 1 0 265.353 2.042 20 10 CECDRO OC[C@@H](CC1CC1)[NH2+]Cc1cc(Cl)ccc1O ZINC000754835807 644438643 /nfs/dbraw/zinc/43/86/43/644438643.db2.gz WUGUEHHQMKFSCS-GFCCVEGCSA-N 1 0 255.745 2.296 20 10 CECDRO CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756344287 644632572 /nfs/dbraw/zinc/63/25/72/644632572.db2.gz SXLLIYFCAQYRFV-KKZNHRDASA-N 1 0 253.317 2.440 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2)c2c1c(F)ccc2O ZINC000756534697 644659862 /nfs/dbraw/zinc/65/98/62/644659862.db2.gz MXCDFYWCEONYFS-JFGNBEQYSA-N 1 0 264.344 2.373 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCOC[C@H]2CCOC2)c(O)c1 ZINC000756564169 644667851 /nfs/dbraw/zinc/66/78/51/644667851.db2.gz QQITVXULXPJXBM-KGLIPLIRSA-N 1 0 279.380 2.404 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)c(O)c1C ZINC000756739842 644688293 /nfs/dbraw/zinc/68/82/93/644688293.db2.gz QLXYHMLMZMNMHZ-VXGBXAGGSA-N 1 0 264.369 2.136 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c(O)c1C ZINC000756757863 644689540 /nfs/dbraw/zinc/68/95/40/644689540.db2.gz FWCCERPFHNHHBV-DZKIICNBSA-N 1 0 292.423 2.379 20 10 CECDRO COCC1([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000756849928 644699240 /nfs/dbraw/zinc/69/92/40/644699240.db2.gz HGVBMGBSRZBOBB-SNVBAGLBSA-N 1 0 251.326 2.230 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H](CO)CC(F)(F)F)cc1F ZINC000756996509 644716956 /nfs/dbraw/zinc/71/69/56/644716956.db2.gz QNNJOCGODZVVSS-SNVBAGLBSA-N 1 0 294.292 2.295 20 10 CECDRO CCOc1ccc(CN2CC[N@H+](CC)C[C@H]2C)c(O)c1 ZINC000809697322 644799219 /nfs/dbraw/zinc/79/92/19/644799219.db2.gz DULDPOWFXFVKAN-CYBMUJFWSA-N 1 0 278.396 2.317 20 10 CECDRO COC1CC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000757678781 644834645 /nfs/dbraw/zinc/83/46/45/644834645.db2.gz HUNVNIHHSPIECD-BZOOQXSSSA-N 1 0 290.407 2.351 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c(O)c1 ZINC000757702797 644837981 /nfs/dbraw/zinc/83/79/81/644837981.db2.gz QDPCYPUBABPVKS-XBXGTLAGSA-N 1 0 279.380 2.432 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)CCc1ccncc1 ZINC000757888308 644854080 /nfs/dbraw/zinc/85/40/80/644854080.db2.gz QXTLRCMEFASBPE-UHFFFAOYSA-N 1 0 272.348 2.470 20 10 CECDRO CCC[C@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858134417 645071307 /nfs/dbraw/zinc/07/13/07/645071307.db2.gz BXIVMBMHQCOJIK-NSHDSACASA-N 1 0 272.339 2.281 20 10 CECDRO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858142452 645072656 /nfs/dbraw/zinc/07/26/56/645072656.db2.gz BBSOOADGMGQEMV-ZJUUUORDSA-N 1 0 272.339 2.137 20 10 CECDRO CC[C@@H](CCO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858142735 645072696 /nfs/dbraw/zinc/07/26/96/645072696.db2.gz KXDJTYPLHNOPRP-NSHDSACASA-N 1 0 272.339 2.281 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC[C@H]2O)cc1F ZINC000858175393 645080510 /nfs/dbraw/zinc/08/05/10/645080510.db2.gz MNDXYLUZMYPPNO-TZMCWYRMSA-N 1 0 270.323 2.034 20 10 CECDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858278840 645105636 /nfs/dbraw/zinc/10/56/36/645105636.db2.gz KDWXKMCIPNJCII-CYBMUJFWSA-N 1 0 293.411 2.230 20 10 CECDRO CCCC[N@H+](C)CCNC(=O)NCc1cc(C)ccc1O ZINC000858282625 645106780 /nfs/dbraw/zinc/10/67/80/645106780.db2.gz MSJLDCTYYGMPNQ-UHFFFAOYSA-N 1 0 293.411 2.232 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000858472085 645172347 /nfs/dbraw/zinc/17/23/47/645172347.db2.gz FRZNOMHHKPBIAT-PWSUYJOCSA-N 1 0 261.321 2.305 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Cl)cc1O ZINC000858523958 645190959 /nfs/dbraw/zinc/19/09/59/645190959.db2.gz ZUKXEPWAIDSOEV-PWSUYJOCSA-N 1 0 284.787 2.027 20 10 CECDRO COc1cccc([C@H](C)[NH2+]Cc2ccc[nH]c2=O)c1O ZINC000858562716 645203813 /nfs/dbraw/zinc/20/38/13/645203813.db2.gz HNGVRIHQOADROF-JTQLQIEISA-N 1 0 274.320 2.352 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000760886901 645207296 /nfs/dbraw/zinc/20/72/96/645207296.db2.gz OTPJDYHDOLMNGW-WDBKCZKBSA-N 1 0 283.343 2.376 20 10 CECDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000858588859 645215512 /nfs/dbraw/zinc/21/55/12/645215512.db2.gz SDQPENXAWJJVPT-DTWKUNHWSA-N 1 0 286.759 2.105 20 10 CECDRO CN(C[C@@H]1CCCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221844 645258981 /nfs/dbraw/zinc/25/89/81/645258981.db2.gz FRRCWPKOZSGRHC-HNNXBMFYSA-N 1 0 292.423 2.490 20 10 CECDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccccc1O ZINC000762785431 645450768 /nfs/dbraw/zinc/45/07/68/645450768.db2.gz IMXJQJHDWALDQZ-UHFFFAOYSA-N 1 0 251.326 2.214 20 10 CECDRO CCOC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000859770497 645598357 /nfs/dbraw/zinc/59/83/57/645598357.db2.gz BKNPVSZMJKZQAQ-INIZCTEOSA-N 1 0 292.423 2.298 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCO[C@@](C)(COC)C2)cc1 ZINC000860203218 645736678 /nfs/dbraw/zinc/73/66/78/645736678.db2.gz ZHNFFTHNQMGXBL-QGZVFWFLSA-N 1 0 292.423 2.380 20 10 CECDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000765794497 645810990 /nfs/dbraw/zinc/81/09/90/645810990.db2.gz CQYHVLIZJBJZRQ-NWDGAFQWSA-N 1 0 282.771 2.050 20 10 CECDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C3=CC(=O)CS3)CC[C@H]21 ZINC000768265633 646101967 /nfs/dbraw/zinc/10/19/67/646101967.db2.gz VKWYNLKSQNWGLC-CMPLNLGQSA-N 1 0 280.393 2.010 20 10 CECDRO COc1cccc(O)c1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000768257559 646102392 /nfs/dbraw/zinc/10/23/92/646102392.db2.gz MPLTVJGNLOREAR-GFCCVEGCSA-N 1 0 277.364 2.402 20 10 CECDRO COc1cc(C[N@@H+]2CCCO[C@@H](C)C2)c(O)cc1C ZINC000768446403 646123910 /nfs/dbraw/zinc/12/39/10/646123910.db2.gz NRJRKKRNLCNMIJ-LBPRGKRZSA-N 1 0 265.353 2.320 20 10 CECDRO C[C@@H]([N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O)C1(C)CC1 ZINC000768463648 646126856 /nfs/dbraw/zinc/12/68/56/646126856.db2.gz KWTAFDQCZGECTJ-YGRLFVJLSA-N 1 0 277.364 2.438 20 10 CECDRO C[C@@H]1C[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H](C)S1 ZINC000768465239 646127899 /nfs/dbraw/zinc/12/78/99/646127899.db2.gz DJTZYHQLFUYBAI-RULNRJAQSA-N 1 0 295.404 2.144 20 10 CECDRO COCC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769328799 646245895 /nfs/dbraw/zinc/24/58/95/646245895.db2.gz BYKGZTJJYPELEG-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO CCOc1cccc(C[N@H+](CCCO)C2CC2)c1O ZINC000769403562 646260849 /nfs/dbraw/zinc/26/08/49/646260849.db2.gz DMFZQEXNWRQCKW-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO COc1cccc(O)c1CN1CC[NH+](C2CCC2)CC1 ZINC000769415496 646262141 /nfs/dbraw/zinc/26/21/41/646262141.db2.gz ZKBKYCNHEXKNHE-UHFFFAOYSA-N 1 0 276.380 2.071 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccco2)c1 ZINC000769420676 646263461 /nfs/dbraw/zinc/26/34/61/646263461.db2.gz STUQFBYYNJMGHS-CYBMUJFWSA-N 1 0 275.348 2.234 20 10 CECDRO CN(C)c1ccc(CN2CC[N@H+](C)CC2(C)C)cc1F ZINC000769448108 646267764 /nfs/dbraw/zinc/26/77/64/646267764.db2.gz ZLYIPTZMUILKND-UHFFFAOYSA-N 1 0 279.403 2.418 20 10 CECDRO COc1cccc(O)c1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000769485398 646276325 /nfs/dbraw/zinc/27/63/25/646276325.db2.gz QMRCDDPAYMSTNH-QWHCGFSZSA-N 1 0 278.396 2.315 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCSC[C@@H]2CCO)cc1C ZINC000770305731 646377859 /nfs/dbraw/zinc/37/78/59/646377859.db2.gz KAMRSYNWGUEEEO-AWEZNQCLSA-N 1 0 281.421 2.309 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCSC[C@H]2CCO)cc1 ZINC000770306362 646377880 /nfs/dbraw/zinc/37/78/80/646377880.db2.gz OWCBQNBJBKOWNT-OAHLLOKOSA-N 1 0 280.437 2.052 20 10 CECDRO CN(C)c1cc(F)c(CN2C[C@@H](O)C(C)(C)C2)cc1F ZINC000862352103 646406892 /nfs/dbraw/zinc/40/68/92/646406892.db2.gz XTKAKDXEOMTNBD-CQSZACIVSA-N 1 0 284.350 2.234 20 10 CECDRO CCn1cnnc1CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000773011386 646695733 /nfs/dbraw/zinc/69/57/33/646695733.db2.gz TXJGKIXLMZFFNG-CYBMUJFWSA-N 1 0 287.411 2.257 20 10 CECDRO Cc1cc(Cl)cc(CN[C@@H]2CC[NH2+][C@H]2C)c1O ZINC000863487123 646741238 /nfs/dbraw/zinc/74/12/38/646741238.db2.gz JWJCDCOIIZLURG-JOYOIKCWSA-N 1 0 254.761 2.194 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2CCOC1CCOCC1 ZINC000863539333 646750166 /nfs/dbraw/zinc/75/01/66/646750166.db2.gz ABEKCDSLMBLIHB-UHFFFAOYSA-N 1 0 290.407 2.094 20 10 CECDRO O[C@H](CNc1ccccc1OCC1CC1)C[NH+]1CCCC1 ZINC000863557313 646755529 /nfs/dbraw/zinc/75/55/29/646755529.db2.gz MZWXDFFIFKYCRJ-OAHLLOKOSA-N 1 0 290.407 2.344 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)NC)cc1 ZINC000773748660 646771753 /nfs/dbraw/zinc/77/17/53/646771753.db2.gz QDAWLROWQPDCNA-MRXNPFEDSA-N 1 0 289.423 2.243 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)cc1 ZINC000773765827 646774238 /nfs/dbraw/zinc/77/42/38/646774238.db2.gz NULIJGLHBCKWCM-CZUORRHYSA-N 1 0 290.407 2.384 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)c1O ZINC000774831724 646900281 /nfs/dbraw/zinc/90/02/81/646900281.db2.gz YAGORTNXCFWRGP-AAEUAGOBSA-N 1 0 265.353 2.306 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CC[C@H](C)C2)c1 ZINC000775370864 646946180 /nfs/dbraw/zinc/94/61/80/646946180.db2.gz XAHZYVGHEBKTBZ-QWHCGFSZSA-N 1 0 278.396 2.393 20 10 CECDRO COC(=O)/C(C)=C/C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775372004 646946276 /nfs/dbraw/zinc/94/62/76/646946276.db2.gz XMJYWHWPYPVDAF-HUYFXPKMSA-N 1 0 279.336 2.171 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)c1 ZINC000775369991 646946372 /nfs/dbraw/zinc/94/63/72/646946372.db2.gz JQEPAPUWHBEDMP-TZMCWYRMSA-N 1 0 295.379 2.247 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccccc1O ZINC000775499174 646960793 /nfs/dbraw/zinc/96/07/93/646960793.db2.gz PJOPINMQSJBBRM-DZGCQCFKSA-N 1 0 278.396 2.154 20 10 CECDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(OC)ccc2O)C[C@H]1C ZINC000775711876 646983431 /nfs/dbraw/zinc/98/34/31/646983431.db2.gz JOPFFTROXUFGCX-CHWSQXEVSA-N 1 0 278.396 2.315 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@@H]2OC)c(O)c1 ZINC000775979196 647012250 /nfs/dbraw/zinc/01/22/50/647012250.db2.gz RQKSQTJWRXBGJA-VNQPRFMTSA-N 1 0 295.379 2.073 20 10 CECDRO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccccc1O ZINC000776000787 647015388 /nfs/dbraw/zinc/01/53/88/647015388.db2.gz NPSCOCLQEKDHNZ-AAEUAGOBSA-N 1 0 263.337 2.166 20 10 CECDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776173871 647031222 /nfs/dbraw/zinc/03/12/22/647031222.db2.gz BXPMDJMVAZCXNZ-ZBEGNZNMSA-N 1 0 297.395 2.296 20 10 CECDRO Cc1cccc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c1O ZINC000776178042 647032318 /nfs/dbraw/zinc/03/23/18/647032318.db2.gz YTMIWZWWPKCAAQ-HNNXBMFYSA-N 1 0 290.407 2.437 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CCCN(C)C2=O)c1O ZINC000776232706 647040432 /nfs/dbraw/zinc/04/04/32/647040432.db2.gz WBKNKJJWNUDPJU-LBPRGKRZSA-N 1 0 282.771 2.064 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(C)C2=O)c1O ZINC000776232705 647040585 /nfs/dbraw/zinc/04/05/85/647040585.db2.gz WBKNKJJWNUDPJU-GFCCVEGCSA-N 1 0 282.771 2.064 20 10 CECDRO CN(C)c1nccc(C[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000776496744 647066781 /nfs/dbraw/zinc/06/67/81/647066781.db2.gz LSHYGJYMVQEQPL-UHFFFAOYSA-N 1 0 292.770 2.191 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000779026842 647282917 /nfs/dbraw/zinc/28/29/17/647282917.db2.gz ZLAFLZUOCKVFAM-HNNXBMFYSA-N 1 0 295.354 2.301 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000779092560 647287476 /nfs/dbraw/zinc/28/74/76/647287476.db2.gz IQSJEPBYTIWITQ-AWEZNQCLSA-N 1 0 295.354 2.349 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000779149228 647291845 /nfs/dbraw/zinc/29/18/45/647291845.db2.gz CITHFFBHAUCQJF-HNNXBMFYSA-N 1 0 265.353 2.258 20 10 CECDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000779220128 647298526 /nfs/dbraw/zinc/29/85/26/647298526.db2.gz XXSLLZFRLFADFY-OAHLLOKOSA-N 1 0 266.360 2.239 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1O ZINC000865711405 647433822 /nfs/dbraw/zinc/43/38/22/647433822.db2.gz NKEZEXMQLFENII-UFBFGSQYSA-N 1 0 293.285 2.192 20 10 CECDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H](O)C(F)(F)F ZINC000865711813 647434074 /nfs/dbraw/zinc/43/40/74/647434074.db2.gz RBBUYFJXUDIPQW-QUBYGPBYSA-N 1 0 283.677 2.447 20 10 CECDRO CCCCC[N@H+](CC(N)=O)Cc1ccc(OCC)cc1O ZINC000780780361 647468386 /nfs/dbraw/zinc/46/83/86/647468386.db2.gz SHIZRAWVOFNHEE-UHFFFAOYSA-N 1 0 294.395 2.268 20 10 CECDRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000782776302 647656182 /nfs/dbraw/zinc/65/61/82/647656182.db2.gz AMDDLBCKMUFJPN-GUYCJALGSA-N 1 0 292.423 2.191 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000783738379 647754673 /nfs/dbraw/zinc/75/46/73/647754673.db2.gz SYLMFSYUQAUFJL-QJPTWQEYSA-N 1 0 265.353 2.399 20 10 CECDRO COC[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000784668569 647873548 /nfs/dbraw/zinc/87/35/48/647873548.db2.gz QLZGUCKJTKYALC-TZMCWYRMSA-N 1 0 296.386 2.127 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCNC2=O)c2c1c(F)ccc2O ZINC000840826180 647892627 /nfs/dbraw/zinc/89/26/27/647892627.db2.gz RYEILTMQNIMCPC-JFGNBEQYSA-N 1 0 292.354 2.195 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC[C@H](OC)C(F)(F)F ZINC000786830227 648048869 /nfs/dbraw/zinc/04/88/69/648048869.db2.gz GTDUWQGVVSRACQ-LBPRGKRZSA-N 1 0 293.285 2.458 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCCS1)OCO2 ZINC000122016047 648053348 /nfs/dbraw/zinc/05/33/48/648053348.db2.gz YLVBXSGXKZYACH-JTQLQIEISA-N 1 0 267.350 2.106 20 10 CECDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(Br)ccc1O ZINC000788269415 648166150 /nfs/dbraw/zinc/16/61/50/648166150.db2.gz NITHILVXFLXPDM-KWQFWETISA-N 1 0 286.169 2.110 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCOC[C@H]2C)c(O)c1 ZINC000788586606 648204778 /nfs/dbraw/zinc/20/47/78/648204778.db2.gz DQHDVJVOQPFDCE-HUUCEWRRSA-N 1 0 292.423 2.380 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)c(O)c1 ZINC000788633827 648209891 /nfs/dbraw/zinc/20/98/91/648209891.db2.gz VADPXSDPMQFCLG-YOEHRIQHSA-N 1 0 293.407 2.449 20 10 CECDRO C[N@H+](Cc1ccccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000790081044 648379664 /nfs/dbraw/zinc/37/96/64/648379664.db2.gz WIYIUDCBAOBFAG-UHFFFAOYSA-N 1 0 292.379 2.443 20 10 CECDRO C[N@H+](CCNC(=O)c1cccc(O)c1O)C1CCCCC1 ZINC000790538221 648429072 /nfs/dbraw/zinc/42/90/72/648429072.db2.gz FGTBDBWEWYEQMW-UHFFFAOYSA-N 1 0 292.379 2.092 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)N(C)C ZINC000790743704 648443962 /nfs/dbraw/zinc/44/39/62/648443962.db2.gz YHBUYEVPZBZECC-YWVKMMECSA-N 1 0 280.343 2.146 20 10 CECDRO NC(=O)C1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000792173775 648619771 /nfs/dbraw/zinc/61/97/71/648619771.db2.gz JKKIHEWTOGVNPV-UHFFFAOYSA-N 1 0 282.343 2.167 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]Cc1cccnc1F ZINC000793279185 648735783 /nfs/dbraw/zinc/73/57/83/648735783.db2.gz BAVCHTQIOVACTE-UHFFFAOYSA-N 1 0 250.248 2.355 20 10 CECDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1OC)c1ccc(C)cc1O ZINC000840826254 648770720 /nfs/dbraw/zinc/77/07/20/648770720.db2.gz JACBOJSUWBZUGS-GUTXKFCHSA-N 1 0 265.353 2.155 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(N(C)C)cc1 ZINC000123237319 648851642 /nfs/dbraw/zinc/85/16/42/648851642.db2.gz CTCVZXZNQSJKAM-UHFFFAOYSA-N 1 0 277.412 2.053 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c1 ZINC000870881690 648942378 /nfs/dbraw/zinc/94/23/78/648942378.db2.gz GVGYFTAFSWVTDW-SDDRHHMPSA-N 1 0 292.379 2.096 20 10 CECDRO C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1ccccc1O ZINC000870988313 648971127 /nfs/dbraw/zinc/97/11/27/648971127.db2.gz MGZSGATXOHLYQL-SDDRHHMPSA-N 1 0 262.353 2.087 20 10 CECDRO O=C(C1CC[NH+](C2CC2)CC1)N1Cc2cccc(O)c2C1 ZINC000871204658 649031648 /nfs/dbraw/zinc/03/16/48/649031648.db2.gz NXEHQZWDHSCVRX-UHFFFAOYSA-N 1 0 286.375 2.109 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cc(Cl)ccc1O ZINC000872127524 649286150 /nfs/dbraw/zinc/28/61/50/649286150.db2.gz WWMGQRLHTWZEBJ-FXPVBKGRSA-N 1 0 255.745 2.467 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266318 649334309 /nfs/dbraw/zinc/33/43/09/649334309.db2.gz UNUMTNGORJOQPM-GASCZTMLSA-N 1 0 260.381 2.139 20 10 CECDRO CCCNC(=O)C[NH2+]Cc1ccc(OCCC)c(C)c1 ZINC000873008074 649529529 /nfs/dbraw/zinc/52/95/29/649529529.db2.gz NFEHWFFOOKVEDK-UHFFFAOYSA-N 1 0 278.396 2.400 20 10 CECDRO COC[C@@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873006652 649529549 /nfs/dbraw/zinc/52/95/49/649529549.db2.gz NWASTYVUDRHFBD-CYBMUJFWSA-N 1 0 289.379 2.065 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H](C)CC(N)=O)cc1C ZINC000873080482 649553978 /nfs/dbraw/zinc/55/39/78/649553978.db2.gz PPDVMXFYEDLKDO-GFCCVEGCSA-N 1 0 264.369 2.137 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)N(C)C)cc1C ZINC000873114233 649560570 /nfs/dbraw/zinc/56/05/70/649560570.db2.gz YWHMTDIEFMXQDR-ZDUSSCGKSA-N 1 0 278.396 2.350 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2COC[C@@H]2OC)cc1C ZINC000873130794 649565207 /nfs/dbraw/zinc/56/52/07/649565207.db2.gz LCJJUUXLJBCIDG-ZBFHGGJFSA-N 1 0 279.380 2.287 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ccon3)C2)cc1 ZINC000873132510 649565779 /nfs/dbraw/zinc/56/57/79/649565779.db2.gz WJIXAGFHNJHHHX-CYBMUJFWSA-N 1 0 287.363 2.299 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2C[C@H](O)C2)cc1 ZINC000873178292 649579801 /nfs/dbraw/zinc/57/98/01/649579801.db2.gz NTVNUTIWUYUSNC-AMJRUAGCSA-N 1 0 260.381 2.126 20 10 CECDRO Cc1nccnc1[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000873188058 649582116 /nfs/dbraw/zinc/58/21/16/649582116.db2.gz GKIDKYTYPODYMK-JTQLQIEISA-N 1 0 287.319 2.070 20 10 CECDRO Cc1cc(O)c(CN[C@]23CCC[C@H]2[NH2+]CC3)cc1C ZINC000873230172 649601386 /nfs/dbraw/zinc/60/13/86/649601386.db2.gz NBUCTZRAQYHXKO-CVEARBPZSA-N 1 0 260.381 2.383 20 10 CECDRO CN(C)c1ccc(CN[C@]23CCC[C@H]2[NH2+]CC3)cc1F ZINC000873230054 649601436 /nfs/dbraw/zinc/60/14/36/649601436.db2.gz LPTXTRAYQKUUQJ-CVEARBPZSA-N 1 0 277.387 2.266 20 10 CECDRO C[C@H](CC(=O)N(C)Cc1ccccc1O)[C@H]1CCC[NH2+]C1 ZINC000127232670 651137926 /nfs/dbraw/zinc/13/79/26/651137926.db2.gz WTDCWRIYZYWCHL-KGLIPLIRSA-N 1 0 290.407 2.376 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCO[C@H]2C)cc1 ZINC000878805376 651189433 /nfs/dbraw/zinc/18/94/33/651189433.db2.gz KTVIJBHXZOJCJC-GJZGRUSLSA-N 1 0 292.423 2.488 20 10 CECDRO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648593 651335224 /nfs/dbraw/zinc/33/52/24/651335224.db2.gz VHFIKXJMSCHBCZ-VXGBXAGGSA-N 1 0 264.369 2.298 20 10 CECDRO COC(=O)C1=C(C)O[C@@H](C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000879650563 651335874 /nfs/dbraw/zinc/33/58/74/651335874.db2.gz HLROBAHRULPZJD-CMPLNLGQSA-N 1 0 291.347 2.279 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C3CC3)CC2)cc1 ZINC000884011087 652630512 /nfs/dbraw/zinc/63/05/12/652630512.db2.gz SSVZBQPRIIIWLX-HNNXBMFYSA-N 1 0 287.407 2.059 20 10 CECDRO CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000135718988 652980211 /nfs/dbraw/zinc/98/02/11/652980211.db2.gz DPKJLZQKCCVJHP-NWDGAFQWSA-N 1 0 264.369 2.204 20 10 CECDRO CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001270871193 805634174 /nfs/dbraw/zinc/63/41/74/805634174.db2.gz RBKVSUPGDORZGH-ZDUSSCGKSA-N 1 0 278.396 2.350 20 10 CECDRO C[C@]1([NH3+])CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204772668 805811892 /nfs/dbraw/zinc/81/18/92/805811892.db2.gz XRFOFTBPQLCPEH-INIZCTEOSA-N 1 0 259.397 2.210 20 10 CECDRO [NH3+][C@H]1CN(Cc2c(O)ccc(Cl)c2Cl)C[C@H]1F ZINC001204837272 806356019 /nfs/dbraw/zinc/35/60/19/806356019.db2.gz YTLDNWQBTGNTAC-BDAKNGLRSA-N 1 0 279.142 2.180 20 10 CECDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(O)cc1O)C2 ZINC001168250009 806441732 /nfs/dbraw/zinc/44/17/32/806441732.db2.gz WOTKBIBCJJACHP-AWEZNQCLSA-N 1 0 285.343 2.363 20 10 CECDRO Oc1cc2c(cc1O)C[N@H+](C[C@@H]1CCCO1)CCC2 ZINC001207894866 802319876 /nfs/dbraw/zinc/31/98/76/802319876.db2.gz ZKQFPYBWFDZRFT-ZDUSSCGKSA-N 1 0 263.337 2.025 20 10 CECDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000724872453 803327687 /nfs/dbraw/zinc/32/76/87/803327687.db2.gz LLMXUUUSYPHGON-UXIGCNINSA-N 1 0 265.353 2.155 20 10 CECDRO COC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000230670038 803391772 /nfs/dbraw/zinc/39/17/72/803391772.db2.gz XBRIDKZAXZKGGY-JHJVBQTASA-N 1 0 279.380 2.236 20 10 CECDRO COC[C@H](CC[NH2+]Cc1cc(Cl)ccc1O)OC ZINC000694285272 803526945 /nfs/dbraw/zinc/52/69/45/803526945.db2.gz ISEKADAWGIZLMY-LBPRGKRZSA-N 1 0 273.760 2.187 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@]2(C)OC)c1 ZINC000694413815 803549537 /nfs/dbraw/zinc/54/95/37/803549537.db2.gz APEYSDMXKZIUND-FZZIBODNSA-N 1 0 251.326 2.229 20 10 CECDRO COc1cccc(C[NH2+][C@H]2COC(C)(C)C2)c1O ZINC000396560420 803741953 /nfs/dbraw/zinc/74/19/53/803741953.db2.gz WGLLALQNLLEBIQ-LLVKDONJSA-N 1 0 251.326 2.058 20 10 CECDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1=O ZINC000722344739 804327285 /nfs/dbraw/zinc/32/72/85/804327285.db2.gz CXZBUSSCMZOZGW-WCQYABFASA-N 1 0 262.353 2.054 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1 ZINC000037152509 815018137 /nfs/dbraw/zinc/01/81/37/815018137.db2.gz WCNOCDDWZMFMJN-VOMCLLRMSA-N 1 0 292.379 2.096 20 10 CECDRO C[NH2+]CCN(C)Cc1ccc(N(C)C)cc1Cl ZINC001204720756 807020589 /nfs/dbraw/zinc/02/05/89/807020589.db2.gz UKXCBUOYTSOLPH-UHFFFAOYSA-N 1 0 255.793 2.057 20 10 CECDRO CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)c1ccccc1O ZINC000037138360 815026305 /nfs/dbraw/zinc/02/63/05/815026305.db2.gz ITTVTAZEGLOACK-HNNXBMFYSA-N 1 0 276.380 2.444 20 10 CECDRO CC(=O)N1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000037138457 815026892 /nfs/dbraw/zinc/02/68/92/815026892.db2.gz NOIQPXYOKXAHRW-LLVKDONJSA-N 1 0 262.353 2.054 20 10 CECDRO C[C@@H](C[NH2+]Cc1ccccc1O)CC1(C)OCCO1 ZINC000716006175 815027367 /nfs/dbraw/zinc/02/73/67/815027367.db2.gz KTDVBHIZXZSMMM-GFCCVEGCSA-N 1 0 265.353 2.271 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)CC[C@H]2C)cc1Cl ZINC001232266365 807238754 /nfs/dbraw/zinc/23/87/54/807238754.db2.gz LZDXNYWRVQSOEI-MWLCHTKSSA-N 1 0 285.771 2.399 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)C(F)F)c1 ZINC000698571505 807247430 /nfs/dbraw/zinc/24/74/30/807247430.db2.gz UQCFHWCHGJOEHP-AMIZOPFISA-N 1 0 275.295 2.068 20 10 CECDRO Oc1ccc(F)c(F)c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001233334771 807395799 /nfs/dbraw/zinc/39/57/99/807395799.db2.gz SMKZJJWEPIISQF-NSHDSACASA-N 1 0 282.334 2.341 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CC[C@H](O)C(F)F ZINC000716746804 815145279 /nfs/dbraw/zinc/14/52/79/815145279.db2.gz UVBOFKFKRUXJHD-JTQLQIEISA-N 1 0 265.687 2.151 20 10 CECDRO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(N(C)C)cc1 ZINC000716699069 815142959 /nfs/dbraw/zinc/14/29/59/815142959.db2.gz OWGFWCJQSDVDIF-GWCFXTLKSA-N 1 0 272.339 2.419 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)CN2CCCCC2)c1O ZINC000037154046 807901474 /nfs/dbraw/zinc/90/14/74/807901474.db2.gz HWWRTCGRPHDZGZ-CYBMUJFWSA-N 1 0 278.396 2.365 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](O)CC(C)C)c1O ZINC000691494793 807905678 /nfs/dbraw/zinc/90/56/78/807905678.db2.gz OUCZOQILGNVBMM-AWEZNQCLSA-N 1 0 251.370 2.451 20 10 CECDRO CCc1cccc(C[NH2+]C2CCN(OC)CC2)c1O ZINC000691495482 807906523 /nfs/dbraw/zinc/90/65/23/807906523.db2.gz SHPOOEWNVIGYRC-UHFFFAOYSA-N 1 0 264.369 2.070 20 10 CECDRO Cc1cc(F)cc(C[NH+]2CCC3(CCOC3=O)CC2)c1O ZINC001238066110 808292669 /nfs/dbraw/zinc/29/26/69/808292669.db2.gz IAMBSXRKNXUURQ-UHFFFAOYSA-N 1 0 293.338 2.369 20 10 CECDRO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc(N)cc1)CC2 ZINC001120370802 815217827 /nfs/dbraw/zinc/21/78/27/815217827.db2.gz FTOLZAXHNBPLGE-HOTGVXAUSA-N 1 0 290.407 2.021 20 10 CECDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922017130 809011424 /nfs/dbraw/zinc/01/14/24/809011424.db2.gz LOLIRIHJLIELMU-HUUCEWRRSA-N 1 0 261.365 2.261 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CC[C@@H]2SC)c(O)c1 ZINC000701992613 809483294 /nfs/dbraw/zinc/48/32/94/809483294.db2.gz KTWPPHKEGDEXSR-AAEUAGOBSA-N 1 0 253.367 2.384 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2F)[C@H]1CO ZINC001137831728 809483580 /nfs/dbraw/zinc/48/35/80/809483580.db2.gz LHTUIXJDOKLLIL-MFKMUULPSA-N 1 0 253.317 2.124 20 10 CECDRO COc1ccc(O)c(C[NH2+]C2CCC(C)(O)CC2)c1 ZINC000703551585 809661817 /nfs/dbraw/zinc/66/18/17/809661817.db2.gz XLMWLELXEGUBKC-UHFFFAOYSA-N 1 0 265.353 2.184 20 10 CECDRO COCC1([N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000707177708 809884281 /nfs/dbraw/zinc/88/42/81/809884281.db2.gz ARVLPXOFCPAUEZ-UHFFFAOYSA-N 1 0 281.327 2.345 20 10 CECDRO CN(C)c1ccc(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)cc1 ZINC001172233657 815345630 /nfs/dbraw/zinc/34/56/30/815345630.db2.gz DCBUAZMDAMZUBM-VHRNVKJDSA-N 1 0 258.365 2.328 20 10 CECDRO O=C(NCc1cc(Cl)ccc1O)C12CCC[NH+]1CCC2 ZINC001118335409 810204521 /nfs/dbraw/zinc/20/45/21/810204521.db2.gz XRHORZYBCQEKBB-UHFFFAOYSA-N 1 0 294.782 2.290 20 10 CECDRO O=C1CC2(CN1)CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC000271184390 810290111 /nfs/dbraw/zinc/29/01/11/810290111.db2.gz MNJIHSKOOXWVIV-UHFFFAOYSA-N 1 0 294.782 2.148 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1C[NH2+]CCC12CCC2)c1ccccc1O ZINC001122192170 815391163 /nfs/dbraw/zinc/39/11/63/815391163.db2.gz QVSGPJKNEVOBQM-OCCSQVGLSA-N 1 0 288.391 2.349 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168985941 811312428 /nfs/dbraw/zinc/31/24/28/811312428.db2.gz VSZINGOOXYCEAM-UONOGXRCSA-N 1 0 277.368 2.288 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)[C@@H](C)C2)cc1C ZINC001044391926 811481236 /nfs/dbraw/zinc/48/12/36/811481236.db2.gz AIGBKMDZMVZKMS-XJKSGUPXSA-N 1 0 290.407 2.493 20 10 CECDRO CCc1cccc(C[NH2+]CCN2CC=CCC2)c1O ZINC000691448657 811854081 /nfs/dbraw/zinc/85/40/81/811854081.db2.gz BJECFMOAWSELEA-UHFFFAOYSA-N 1 0 260.381 2.306 20 10 CECDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000691469698 811901952 /nfs/dbraw/zinc/90/19/52/811901952.db2.gz ZPRJTWIFBUVRQY-KCJUWKMLSA-N 1 0 286.169 2.279 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](CC)CCO)c1O ZINC000691485100 811951724 /nfs/dbraw/zinc/95/17/24/811951724.db2.gz YLNYMHCTBQBPMP-LBPRGKRZSA-N 1 0 251.370 2.453 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@@H](C)O ZINC000691486631 811959363 /nfs/dbraw/zinc/95/93/63/811959363.db2.gz AYITYVZVHNWVKC-LDYMZIIASA-N 1 0 288.185 2.404 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000384667887 812729899 /nfs/dbraw/zinc/72/98/99/812729899.db2.gz XHACOWAOIVRXHB-OUJBWJOFSA-N 1 0 251.326 2.056 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](F)C(C)C)cc1C ZINC001132556146 812888452 /nfs/dbraw/zinc/88/84/52/812888452.db2.gz BHJCOEAYJJFMAV-OAHLLOKOSA-N 1 0 296.386 2.204 20 10 CECDRO O=C(NCc1ccccc1O)c1cccn1C1CC[NH2+]CC1 ZINC000388533720 813239538 /nfs/dbraw/zinc/23/95/38/813239538.db2.gz LCEPGHWVWOXGJG-UHFFFAOYSA-N 1 0 299.374 2.048 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)C(C)C)c1 ZINC000394028008 813334941 /nfs/dbraw/zinc/33/49/41/813334941.db2.gz IFBNLBJBWGTOMR-NWDGAFQWSA-N 1 0 267.369 2.316 20 10 CECDRO C[N@H+](Cc1c(O)cc(O)cc1O)C1CC(F)(F)C1 ZINC001144499741 814089955 /nfs/dbraw/zinc/08/99/55/814089955.db2.gz JDXLDTCSMWZPJH-UHFFFAOYSA-N 1 0 259.252 2.033 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c(O)c1 ZINC001144504476 814092519 /nfs/dbraw/zinc/09/25/19/814092519.db2.gz RJLMYCAXDSMTGB-WDEREUQCSA-N 1 0 263.337 2.425 20 10 CECDRO CC[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514723 814098139 /nfs/dbraw/zinc/09/81/39/814098139.db2.gz PTHWVHBKPHJCJP-JTQLQIEISA-N 1 0 251.326 2.425 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000754080995 814117261 /nfs/dbraw/zinc/11/72/61/814117261.db2.gz VTUOJQNOWYUHPV-LLVKDONJSA-N 1 0 265.353 2.448 20 10 CECDRO COC[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000234893908 814506664 /nfs/dbraw/zinc/50/66/64/814506664.db2.gz YNFRMOLLRRAKPX-WCQYABFASA-N 1 0 275.348 2.203 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)CN2CCCC2=O)c1O ZINC000691446971 814594590 /nfs/dbraw/zinc/59/45/90/814594590.db2.gz OLCBIUHYUUZEGJ-GFCCVEGCSA-N 1 0 276.380 2.055 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@H](OC)C1 ZINC001116748882 814879934 /nfs/dbraw/zinc/87/99/34/814879934.db2.gz ZGOVNYLFVSEREP-MNOVXSKESA-N 1 0 251.326 2.058 20 10 CECDRO CC[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccccc1O ZINC000714353733 814898018 /nfs/dbraw/zinc/89/80/18/814898018.db2.gz ZRIJVKSYMFAOPL-GXTWGEPZSA-N 1 0 297.420 2.400 20 10 CECDRO [NH3+]Cc1ncc(NCc2cc3ccccc3cc2O)cn1 ZINC001171404953 814902558 /nfs/dbraw/zinc/90/25/58/814902558.db2.gz MPSOMCNKLWHYRS-UHFFFAOYSA-N 1 0 280.331 2.406 20 10 CECDRO CC(C)(C)[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137837694 815693169 /nfs/dbraw/zinc/69/31/69/815693169.db2.gz QZAVGYFIOBYMTC-UHFFFAOYSA-N 1 0 266.360 2.447 20 10 CECDRO Oc1cccc(F)c1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001137834521 815693448 /nfs/dbraw/zinc/69/34/48/815693448.db2.gz JSEMHRPOXQVXQU-UHFFFAOYSA-N 1 0 290.382 2.449 20 10 CECDRO Oc1cccc(F)c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001137837911 815693540 /nfs/dbraw/zinc/69/35/40/815693540.db2.gz YQZJBBWNRFRCTE-LBPRGKRZSA-N 1 0 264.344 2.201 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138129664 815732894 /nfs/dbraw/zinc/73/28/94/815732894.db2.gz QABDUTSUFFVEMY-NSHDSACASA-N 1 0 281.327 2.306 20 10 CECDRO CN1CC[C@H]([N@H+](C)Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358485 815775033 /nfs/dbraw/zinc/77/50/33/815775033.db2.gz TZDFHZFKEKIRFC-INIZCTEOSA-N 1 0 273.424 2.205 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2ncccc2O)cc1 ZINC001138396170 815787619 /nfs/dbraw/zinc/78/76/19/815787619.db2.gz ODNWZSNKFSENKS-UHFFFAOYSA-N 1 0 271.364 2.485 20 10 CECDRO COc1cc(CN2CC3(CCC3)C2)cc(C[NH+](C)C)c1O ZINC001139255675 815996680 /nfs/dbraw/zinc/99/66/80/815996680.db2.gz RKWVKLWHTQRKIR-UHFFFAOYSA-N 1 0 290.407 2.448 20 10 CECDRO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C1CN(C)C1 ZINC001139673455 816077975 /nfs/dbraw/zinc/07/79/75/816077975.db2.gz HQFYGNUCJOYYEX-UHFFFAOYSA-N 1 0 261.413 2.197 20 10 CECDRO CCC(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140055453 816178554 /nfs/dbraw/zinc/17/85/54/816178554.db2.gz ZNPKBWUIXIVAFA-UHFFFAOYSA-N 1 0 280.343 2.022 20 10 CECDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178758 816203974 /nfs/dbraw/zinc/20/39/74/816203974.db2.gz WSFZROINJFYOIF-OAHLLOKOSA-N 1 0 281.327 2.096 20 10 CECDRO CC(=O)N1CCC[N@H+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140179262 816204508 /nfs/dbraw/zinc/20/45/08/816204508.db2.gz DPECJWMKGBNCLM-UHFFFAOYSA-N 1 0 276.380 2.063 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1O ZINC001140182033 816205323 /nfs/dbraw/zinc/20/53/23/816205323.db2.gz GHSARUBPYIYNNG-DZGCQCFKSA-N 1 0 260.381 2.145 20 10 CECDRO CC(=O)N1CC[N@@H+](Cc2c(C)ccc(C)c2O)C[C@H]1C ZINC001140183306 816205550 /nfs/dbraw/zinc/20/55/50/816205550.db2.gz BFPXRCUWUFHBMN-CYBMUJFWSA-N 1 0 276.380 2.062 20 10 CECDRO CC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140341696 816237095 /nfs/dbraw/zinc/23/70/95/816237095.db2.gz CSTUHZJSRDLEMA-SNVBAGLBSA-N 1 0 253.729 2.457 20 10 CECDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@]12CCOC2 ZINC001140342286 816237329 /nfs/dbraw/zinc/23/73/29/816237329.db2.gz BOLCUCDFZZEHRA-CYBMUJFWSA-N 1 0 253.729 2.410 20 10 CECDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(O)cccc1Cl ZINC001140339263 816238747 /nfs/dbraw/zinc/23/87/47/816238747.db2.gz HBQKUXLUYMZNEK-CHWSQXEVSA-N 1 0 294.782 2.241 20 10 CECDRO Oc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001140462916 816259353 /nfs/dbraw/zinc/25/93/53/816259353.db2.gz OCHGIHIMQQOFTJ-GFCCVEGCSA-N 1 0 255.745 2.392 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c1 ZINC001140624105 816306024 /nfs/dbraw/zinc/30/60/24/816306024.db2.gz GICBWRFJDSXUAF-CQSZACIVSA-N 1 0 285.347 2.144 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c1 ZINC001140620449 816306238 /nfs/dbraw/zinc/30/62/38/816306238.db2.gz OPUWDBQUVSYRCP-QGZVFWFLSA-N 1 0 288.391 2.335 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)c1 ZINC001140623771 816306963 /nfs/dbraw/zinc/30/69/63/816306963.db2.gz QRJMNBCNKFCQAD-ZFWWWQNUSA-N 1 0 260.381 2.227 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC001140742238 816338202 /nfs/dbraw/zinc/33/82/02/816338202.db2.gz KZMQCXRXKJCIPL-IUODEOHRSA-N 1 0 277.364 2.407 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCCO[C@H](C)C2)c1O ZINC001140742761 816338919 /nfs/dbraw/zinc/33/89/19/816338919.db2.gz YACJFMKXGBVITG-SNVBAGLBSA-N 1 0 251.326 2.017 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CCC3(CCC(=O)O3)CC2)c1O ZINC001140745296 816342008 /nfs/dbraw/zinc/34/20/08/816342008.db2.gz DLLWAFXSQAVWGO-UHFFFAOYSA-N 1 0 291.347 2.078 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)[C@H](C)C1 ZINC001140751389 816342753 /nfs/dbraw/zinc/34/27/53/816342753.db2.gz USXFVZOUXNAXNY-ZWNOBZJWSA-N 1 0 265.353 2.406 20 10 CECDRO CC[NH+](CC)C[C@H]1CN(Cc2ccc(C)cc2O)CCO1 ZINC001140954208 816423448 /nfs/dbraw/zinc/42/34/48/816423448.db2.gz MYXFLANSOZNKNA-INIZCTEOSA-N 1 0 292.423 2.243 20 10 CECDRO Cc1ccc(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c(O)c1 ZINC001140957770 816425418 /nfs/dbraw/zinc/42/54/18/816425418.db2.gz NNDAFVUKUDAADY-UHFFFAOYSA-N 1 0 270.332 2.360 20 10 CECDRO COc1cc(O)c(C[N@H+](C)C[C@H]2CCCCO2)c(OC)c1 ZINC001141028099 816448764 /nfs/dbraw/zinc/44/87/64/816448764.db2.gz BHSCQTKHRBEZEN-GFCCVEGCSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c(OC)c1 ZINC001141029205 816450422 /nfs/dbraw/zinc/45/04/22/816450422.db2.gz MCDBCUZGQXKQCO-GFCCVEGCSA-N 1 0 295.379 2.409 20 10 CECDRO COc1cc(O)c(C[N@H+]2CCC[C@H](OC)CC2)c(OC)c1 ZINC001141029137 816451666 /nfs/dbraw/zinc/45/16/66/816451666.db2.gz JTKHHYPNQWDQEJ-LBPRGKRZSA-N 1 0 295.379 2.410 20 10 CECDRO C[C@@]1(O)CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074978 816468844 /nfs/dbraw/zinc/46/88/44/816468844.db2.gz GPGKDADWONXEEK-GOSISDBHSA-N 1 0 286.419 2.342 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@]4(CCO4)C3)ccc21 ZINC001141143702 816485667 /nfs/dbraw/zinc/48/56/67/816485667.db2.gz GGTGXSHFWZOUIS-QGZVFWFLSA-N 1 0 288.391 2.270 20 10 CECDRO C[N@H+](CCc1ccccn1)Cc1cc(O)ccc1O ZINC001141156112 816490921 /nfs/dbraw/zinc/49/09/21/816490921.db2.gz QOCMSAZCKDMIGU-UHFFFAOYSA-N 1 0 258.321 2.167 20 10 CECDRO CCOc1ccc(C[NH2+]C2(CO)CCSCC2)c(O)c1 ZINC000839177789 816567317 /nfs/dbraw/zinc/56/73/17/816567317.db2.gz QHOABVDQLXOLLV-UHFFFAOYSA-N 1 0 297.420 2.139 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCC3(C2)OCCO3)cc1F ZINC001178336451 816721310 /nfs/dbraw/zinc/72/13/10/816721310.db2.gz GRNYZHLGMDXOTI-ZDUSSCGKSA-N 1 0 294.370 2.277 20 10 CECDRO CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000034837393 361796544 /nfs/dbraw/zinc/79/65/44/361796544.db2.gz UUYRQJRGLNIDFD-LLVKDONJSA-N 1 0 252.333 2.333 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1nncn1C)c1ccccc1O ZINC000037016934 361884642 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ZINC000092643895 364091913 /nfs/dbraw/zinc/09/19/13/364091913.db2.gz FLSPEXHJZMOSSA-LBPRGKRZSA-N 1 0 263.337 2.086 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092643640 364092839 /nfs/dbraw/zinc/09/28/39/364092839.db2.gz PMRVOCALTDBROK-AWEZNQCLSA-N 1 0 276.380 2.138 20 10 CECDRO COc1ccc(N2CCC([NH2+]CC(C)(C)O)CC2)cc1 ZINC000112541420 364813376 /nfs/dbraw/zinc/81/33/76/364813376.db2.gz ACZPMLCYIMEWAD-UHFFFAOYSA-N 1 0 278.396 2.025 20 10 CECDRO CCC[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000168771158 367360421 /nfs/dbraw/zinc/36/04/21/367360421.db2.gz DGXDICSGKLLZNU-QWRGUYRKSA-N 1 0 253.342 2.212 20 10 CECDRO CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000171937411 367643619 /nfs/dbraw/zinc/64/36/19/367643619.db2.gz YDLASLMHDCAUCL-NEPJUHHUSA-N 1 0 264.369 2.127 20 10 CECDRO Cc1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1O ZINC000245870144 370882674 /nfs/dbraw/zinc/88/26/74/370882674.db2.gz RHFWDEYAKFTKBH-ZIAGYGMSSA-N 1 0 279.405 2.407 20 10 CECDRO COc1ccc(O)c(CN(C)CC(=O)OC(C)(C)C)c1 ZINC000179945755 368360472 /nfs/dbraw/zinc/36/04/72/368360472.db2.gz ILJCFLVVXYFTAL-UHFFFAOYSA-N 1 0 281.352 2.174 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CN(C(=O)OC)C2)cc1 ZINC000181473645 368460705 /nfs/dbraw/zinc/46/07/05/368460705.db2.gz IDFWGFNPSMOEJA-GFCCVEGCSA-N 1 0 291.395 2.244 20 10 CECDRO C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(F)cc1[O-] ZINC000293387644 296130807 /nfs/dbraw/zinc/13/08/07/296130807.db2.gz ISPHMYNNJISUTK-WDEREUQCSA-N 1 0 254.349 2.380 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)c1 ZINC000188920572 369428424 /nfs/dbraw/zinc/42/84/24/369428424.db2.gz AIEAFWDBHUDISF-CQSZACIVSA-N 1 0 276.380 2.047 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](C)OC)c1 ZINC000189114816 369460541 /nfs/dbraw/zinc/46/05/41/369460541.db2.gz YBMFPSXVZZIUKS-WDEREUQCSA-N 1 0 253.342 2.304 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000190304498 369611309 /nfs/dbraw/zinc/61/13/09/369611309.db2.gz MDAQKAMPHHCNAZ-SMDDNHRTSA-N 1 0 265.353 2.042 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCOCC(F)F)cc1 ZINC000190894951 369659762 /nfs/dbraw/zinc/65/97/62/369659762.db2.gz MPLFCOOLSOSKEJ-UHFFFAOYSA-N 1 0 258.312 2.124 20 10 CECDRO CCOc1ccccc1N(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638312643 370438913 /nfs/dbraw/zinc/43/89/13/370438913.db2.gz HZTXNEBKFAGRHJ-GFCCVEGCSA-N 1 0 260.337 2.096 20 10 CECDRO COc1ccc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000249708945 371355138 /nfs/dbraw/zinc/35/51/38/371355138.db2.gz CJUQKUWABPMGMI-QGZVFWFLSA-N 1 0 290.407 2.386 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1C ZINC000368963199 373301603 /nfs/dbraw/zinc/30/16/03/373301603.db2.gz IOSZHQATWLYBJD-BJJXKVORSA-N 1 0 288.391 2.095 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)CCOCCCOC)c1 ZINC000272350666 373443412 /nfs/dbraw/zinc/44/34/12/373443412.db2.gz KLGGFNXKBOZSSW-UHFFFAOYSA-N 1 0 297.395 2.276 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(O)c1C ZINC000273418193 373755870 /nfs/dbraw/zinc/75/58/70/373755870.db2.gz RLJHUVCDEZGGNN-LSDHHAIUSA-N 1 0 292.423 2.116 20 10 CECDRO CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273424982 373757610 /nfs/dbraw/zinc/75/76/10/373757610.db2.gz TVQFBAYAOHWKTA-NWDGAFQWSA-N 1 0 293.367 2.293 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c1 ZINC000273484349 373759957 /nfs/dbraw/zinc/75/99/57/373759957.db2.gz MXTAEFJRLUWPNH-MLGOLLRUSA-N 1 0 279.380 2.139 20 10 CECDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000275016086 374129104 /nfs/dbraw/zinc/12/91/04/374129104.db2.gz SPQCXPSKEWDFKK-ZDUSSCGKSA-N 1 0 298.452 2.226 20 10 CECDRO CCC(=O)N1CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000373224177 374299425 /nfs/dbraw/zinc/29/94/25/374299425.db2.gz PXIVSABFMCCCLR-UHFFFAOYSA-N 1 0 296.798 2.490 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)cc1 ZINC000282650419 375539591 /nfs/dbraw/zinc/53/95/91/375539591.db2.gz HZUGZOCBGPNEHY-QWHCGFSZSA-N 1 0 295.402 2.268 20 10 CECDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cc(F)ccc1O ZINC000284415589 375827895 /nfs/dbraw/zinc/82/78/95/375827895.db2.gz QMHTWGDAJDUUCQ-JVLSTEMRSA-N 1 0 299.386 2.340 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H](CC)OC)c1O ZINC000289885356 376545150 /nfs/dbraw/zinc/54/51/50/376545150.db2.gz SETJISXAFHOWGL-LBPRGKRZSA-N 1 0 253.342 2.306 20 10 CECDRO CO[C@](C)(C[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000291049015 377049024 /nfs/dbraw/zinc/04/90/24/377049024.db2.gz MSFKIPOCTLLRGW-OAHLLOKOSA-N 1 0 279.336 2.026 20 10 CECDRO Cc1c2ccccc2n(C)c1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000565201497 377601773 /nfs/dbraw/zinc/60/17/73/377601773.db2.gz MGFWPXLSEVHZTJ-CYBMUJFWSA-N 1 0 299.418 2.445 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000293637189 377670794 /nfs/dbraw/zinc/67/07/94/377670794.db2.gz LVYRKZPSEXYXFU-UHFFFAOYSA-N 1 0 277.364 2.430 20 10 CECDRO CNC(=O)CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293720361 377722928 /nfs/dbraw/zinc/72/29/28/377722928.db2.gz MLIQPFNMQRRBGC-LBPRGKRZSA-N 1 0 264.369 2.186 20 10 CECDRO CCC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000293801330 377765298 /nfs/dbraw/zinc/76/52/98/377765298.db2.gz YGSOKXJAXRDJBL-NSHDSACASA-N 1 0 267.325 2.026 20 10 CECDRO Cc1cccc(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000294733257 378016089 /nfs/dbraw/zinc/01/60/89/378016089.db2.gz GLZZBZFWCRWEAK-AWEZNQCLSA-N 1 0 292.379 2.363 20 10 CECDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294633342 378001616 /nfs/dbraw/zinc/00/16/16/378001616.db2.gz PJXFEJQXUTWLPT-MRXNPFEDSA-N 1 0 292.423 2.298 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)C(F)F ZINC000294972037 378032952 /nfs/dbraw/zinc/03/29/52/378032952.db2.gz FUPRPSJYJNTSLK-OLZOCXBDSA-N 1 0 272.339 2.247 20 10 CECDRO COC[C@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000295094331 378041215 /nfs/dbraw/zinc/04/12/15/378041215.db2.gz JRIIQRZIJDRTOU-MRXNPFEDSA-N 1 0 295.379 2.268 20 10 CECDRO C[C@@H]([N@H+](C)Cc1ccc(N(C)C)cc1)C(C)(C)O ZINC000295189585 378047184 /nfs/dbraw/zinc/04/71/84/378047184.db2.gz QWAKBVYIFULKSH-GFCCVEGCSA-N 1 0 250.386 2.344 20 10 CECDRO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000294864931 378025576 /nfs/dbraw/zinc/02/55/76/378025576.db2.gz UFBHXGUPWLRDKS-KRWDZBQOSA-N 1 0 299.370 2.252 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@]23C[C@@H]2COC3(C)C)cc1OC ZINC000529639917 380181378 /nfs/dbraw/zinc/18/13/78/380181378.db2.gz AFRKRMSNKAMBST-BZNIZROVSA-N 1 0 293.363 2.067 20 10 CECDRO CCOC[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000530106001 380194876 /nfs/dbraw/zinc/19/48/76/380194876.db2.gz KAQIJAGKGFZNTI-MRXNPFEDSA-N 1 0 291.391 2.118 20 10 CECDRO CC[C@@H](C)N(C)CC[NH2+]Cc1cccc(OC)c1O ZINC000217386508 394454516 /nfs/dbraw/zinc/45/45/16/394454516.db2.gz QDQFNYZMZVYPBM-GFCCVEGCSA-N 1 0 266.385 2.221 20 10 CECDRO COc1ccc(O)c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000217906444 394456328 /nfs/dbraw/zinc/45/63/28/394456328.db2.gz UMOCGLWANWKQTD-JSGCOSHPSA-N 1 0 276.380 2.069 20 10 CECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](C)O ZINC000093143177 394665103 /nfs/dbraw/zinc/66/51/03/394665103.db2.gz QQESLVBHSDQWEH-ZDUSSCGKSA-N 1 0 250.386 2.344 20 10 CECDRO CCCOc1ccc(C[N@H+](C)CC[C@H](C)O)c(O)c1 ZINC000093481694 394667633 /nfs/dbraw/zinc/66/76/33/394667633.db2.gz YAPXTLCBEZVANN-LBPRGKRZSA-N 1 0 267.369 2.384 20 10 CECDRO C[C@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)CCN1C ZINC000093644864 394668643 /nfs/dbraw/zinc/66/86/43/394668643.db2.gz JWHJZSQMYWCVBL-AAEUAGOBSA-N 1 0 292.379 2.035 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000122268504 394811200 /nfs/dbraw/zinc/81/12/00/394811200.db2.gz BLBFACVYZJUFHU-JTQLQIEISA-N 1 0 283.755 2.431 20 10 CECDRO C[N@H+](Cc1ccccc1O)C[C@](C)(O)C(F)(F)F ZINC000281888822 394869267 /nfs/dbraw/zinc/86/92/67/394869267.db2.gz DQZMVSFDZDYUDU-NSHDSACASA-N 1 0 263.259 2.137 20 10 CECDRO CCCOc1ccc(CN2CC[NH+](CC)CC2)c(O)c1 ZINC000131710571 394916944 /nfs/dbraw/zinc/91/69/44/394916944.db2.gz HVQXKLFGTGIUTG-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO CCCOc1ccc(CN(C)CC(=O)NC(C)C)c(O)c1 ZINC000133389885 394950191 /nfs/dbraw/zinc/95/01/91/394950191.db2.gz LAIWUOUIYBYFMM-UHFFFAOYSA-N 1 0 294.395 2.137 20 10 CECDRO COc1ccc(N2CCC([NH2+]C[C@H](C)CCO)CC2)cc1 ZINC000151918797 394981335 /nfs/dbraw/zinc/98/13/35/394981335.db2.gz MUNFYKBDKJIFFV-CQSZACIVSA-N 1 0 292.423 2.272 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1cc(F)ccc1O ZINC000368329428 394984310 /nfs/dbraw/zinc/98/43/10/394984310.db2.gz DBUUUDXGXKJECY-RISCZKNCSA-N 1 0 294.370 2.045 20 10 CECDRO CN(C)c1ccncc1C[NH2+]Cc1ccc2c(c1)CCN2C ZINC000373523240 395062713 /nfs/dbraw/zinc/06/27/13/395062713.db2.gz VQTMUPPWYUOQCK-UHFFFAOYSA-N 1 0 296.418 2.430 20 10 CECDRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1O ZINC000374282965 395078931 /nfs/dbraw/zinc/07/89/31/395078931.db2.gz KCOIFDHMTJSNGG-YUTCNCBUSA-N 1 0 274.364 2.011 20 10 CECDRO C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1O ZINC000174854036 395128717 /nfs/dbraw/zinc/12/87/17/395128717.db2.gz KLJMFVKLFPRRSM-ZDUSSCGKSA-N 1 0 276.380 2.225 20 10 CECDRO CS(=O)(=O)CC1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000293581570 395242208 /nfs/dbraw/zinc/24/22/08/395242208.db2.gz DXOQPICOIJZAPP-UHFFFAOYSA-N 1 0 297.420 2.085 20 10 CECDRO COc1cccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1O ZINC000293051299 395216532 /nfs/dbraw/zinc/21/65/32/395216532.db2.gz ROFZXTVBLPTHPK-XHDPSFHLSA-N 1 0 265.353 2.042 20 10 CECDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000293812142 395252497 /nfs/dbraw/zinc/25/24/97/395252497.db2.gz RQVCVEGGUDZXBA-MRXNPFEDSA-N 1 0 290.407 2.180 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000183565322 395258999 /nfs/dbraw/zinc/25/89/99/395258999.db2.gz NAKMHBUUNRDXIB-VXGBXAGGSA-N 1 0 262.353 2.054 20 10 CECDRO CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1ccccc1O ZINC000183607721 395259150 /nfs/dbraw/zinc/25/91/50/395259150.db2.gz YANAKYRXIQKCHY-UHFFFAOYSA-N 1 0 285.347 2.125 20 10 CECDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000193502057 395409768 /nfs/dbraw/zinc/40/97/68/395409768.db2.gz BBFIBVNONZGHFR-UONOGXRCSA-N 1 0 276.380 2.184 20 10 CECDRO CN(C)c1ccc(CN(C)CC[N@H+](C)C2CC2)cc1 ZINC000193561211 395410994 /nfs/dbraw/zinc/41/09/94/395410994.db2.gz RLNMMTHAPIODMU-UHFFFAOYSA-N 1 0 261.413 2.279 20 10 CECDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000230689170 414846965 /nfs/dbraw/zinc/84/69/65/414846965.db2.gz GFYBHYHQIJTVKU-HNNXBMFYSA-N 1 0 250.386 2.249 20 10 CECDRO C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000071141935 176039977 /nfs/dbraw/zinc/03/99/77/176039977.db2.gz XDRHLWNEIBFTOO-JTQLQIEISA-N 1 0 254.761 2.087 20 10 CECDRO c1nnc(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000080574008 260180783 /nfs/dbraw/zinc/18/07/83/260180783.db2.gz JERWONGPWCSBIW-UHFFFAOYSA-N 1 0 285.395 2.127 20 10 CECDRO COC[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093337901 260275631 /nfs/dbraw/zinc/27/56/31/260275631.db2.gz DDZNIQCMJVIWRL-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(N2CCOCC2)c(F)c1 ZINC000160655275 261221679 /nfs/dbraw/zinc/22/16/79/261221679.db2.gz MPUJLWDDEMGGDQ-GFCCVEGCSA-N 1 0 296.386 2.084 20 10 CECDRO CCC[N@H+](CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000161210174 261240460 /nfs/dbraw/zinc/24/04/60/261240460.db2.gz ZNCRBWKJTIYHRN-UHFFFAOYSA-N 1 0 254.349 2.096 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)CC)cc1 ZINC000163479751 261318913 /nfs/dbraw/zinc/31/89/13/261318913.db2.gz ZFNAAAJJQOJYNK-CYBMUJFWSA-N 1 0 298.452 2.228 20 10 CECDRO CC[C@H]([NH2+][C@H](C)Cn1cncn1)c1ccc(N(C)C)cc1 ZINC000164174564 261342570 /nfs/dbraw/zinc/34/25/70/261342570.db2.gz FRSFEBDFPDWQQE-CJNGLKHVSA-N 1 0 287.411 2.474 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CSCCS2)c1 ZINC000164753509 261358716 /nfs/dbraw/zinc/35/87/16/261358716.db2.gz OASACGZICDSUQA-LBPRGKRZSA-N 1 0 285.434 2.339 20 10 CECDRO COc1cc(Cl)cc(CN2CC[NH+](C3CC3)CC2)c1O ZINC000184678104 262026166 /nfs/dbraw/zinc/02/61/66/262026166.db2.gz WZEIDTQVOWZPLM-UHFFFAOYSA-N 1 0 296.798 2.334 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CO)c1O ZINC000184677530 262026274 /nfs/dbraw/zinc/02/62/74/262026274.db2.gz CGBASZPPZJIMSF-LLVKDONJSA-N 1 0 271.744 2.011 20 10 CECDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000185786687 262070748 /nfs/dbraw/zinc/07/07/48/262070748.db2.gz QPKQEROSNSIBIO-AWEZNQCLSA-N 1 0 291.395 2.073 20 10 CECDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(C)ccc2O)C1(C)C ZINC000186590076 262100683 /nfs/dbraw/zinc/10/06/83/262100683.db2.gz XRBGLKOSUAWNJC-DOTOQJQBSA-N 1 0 293.407 2.356 20 10 CECDRO Oc1ccc(F)cc1CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000368590329 262112113 /nfs/dbraw/zinc/11/21/13/262112113.db2.gz KOTLCYFEGHXFTQ-AWEZNQCLSA-N 1 0 296.411 2.154 20 10 CECDRO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccc(F)c(F)c1[O-] ZINC000293741343 263148440 /nfs/dbraw/zinc/14/84/40/263148440.db2.gz PFRSFEIKXLXHCP-SECBINFHSA-N 1 0 296.321 2.082 20 10 CECDRO COc1ccc(N(C)CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1F ZINC000367764442 267116060 /nfs/dbraw/zinc/11/60/60/267116060.db2.gz XSVXRWONQFFQPK-OKILXGFUSA-N 1 0 294.370 2.134 20 10 CECDRO COc1ccc(O)c([C@H](C)[N@H+](C)[C@@H]2CCCCNC2=O)c1 ZINC000368015244 267134534 /nfs/dbraw/zinc/13/45/34/267134534.db2.gz CIUAWWBWTXQVNR-SMDDNHRTSA-N 1 0 292.379 2.062 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c(O)c1 ZINC000368331296 267163231 /nfs/dbraw/zinc/16/32/31/267163231.db2.gz JCAVBSZALRJZPK-RMRHIDDWSA-N 1 0 288.391 2.361 20 10 CECDRO OCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000368510107 267178303 /nfs/dbraw/zinc/17/83/03/267178303.db2.gz CKMOGROWGHJYKP-UHFFFAOYSA-N 1 0 282.387 2.331 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@]2(CO)CCc3ccccc32)c1 ZINC000305807298 268001476 /nfs/dbraw/zinc/00/14/76/268001476.db2.gz ZQDXXONDMIUUGS-GOSISDBHSA-N 1 0 299.370 2.324 20 10 CECDRO CC(=O)NC1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297772997 275477728 /nfs/dbraw/zinc/47/77/28/275477728.db2.gz PFJMENJBMIYOGI-YMAMQOFZSA-N 1 0 288.391 2.416 20 10 CECDRO COc1cccc(C[NH2+]CCN2CCCCCC2)c1O ZINC000040767356 278012313 /nfs/dbraw/zinc/01/23/13/278012313.db2.gz MUIKSTNQIDAVOY-UHFFFAOYSA-N 1 0 278.396 2.366 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1 ZINC000281071300 295168563 /nfs/dbraw/zinc/16/85/63/295168563.db2.gz OGOCLBCPEJUQGK-PRWKNARSSA-N 1 0 297.420 2.353 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1O ZINC000527803578 313204358 /nfs/dbraw/zinc/20/43/58/313204358.db2.gz HAYLNOGZHKUYEA-PUHVVEEASA-N 1 0 265.353 2.302 20 10 CECDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000184568972 327829899 /nfs/dbraw/zinc/82/98/99/327829899.db2.gz LMUCOYQKLYPMFG-VHSXEESVSA-N 1 0 269.316 2.209 20 10 CECDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)C2 ZINC000363917957 327833565 /nfs/dbraw/zinc/83/35/65/327833565.db2.gz MYCJXVNOCDNWJX-MRXNPFEDSA-N 1 0 295.386 2.367 20 10 CECDRO CCOc1cccc(C[NH2+]CCC(C)(C)O)c1O ZINC000274722751 328006174 /nfs/dbraw/zinc/00/61/74/328006174.db2.gz FIKRSYJINVUSIH-UHFFFAOYSA-N 1 0 253.342 2.042 20 10 CECDRO OC[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000378500346 329053082 /nfs/dbraw/zinc/05/30/82/329053082.db2.gz UFUZHZQAKWSWPX-LLVKDONJSA-N 1 0 253.317 2.126 20 10 CECDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000092392236 327193710 /nfs/dbraw/zinc/19/37/10/327193710.db2.gz FYXLKMDFVPOYII-SWLSCSKDSA-N 1 0 250.386 2.420 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)cc1 ZINC000377389144 329013758 /nfs/dbraw/zinc/01/37/58/329013758.db2.gz FYRNSTBTXRKQOC-CQSZACIVSA-N 1 0 285.395 2.250 20 10 CECDRO CCOc1cccc(CN2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1O ZINC000378526665 329054052 /nfs/dbraw/zinc/05/40/52/329054052.db2.gz QZULGKSNKOCKFX-DZGCQCFKSA-N 1 0 290.407 2.317 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000180285617 329219252 /nfs/dbraw/zinc/21/92/52/329219252.db2.gz ORLDJIXVRQODJR-LBPRGKRZSA-N 1 0 290.342 2.035 20 10 CECDRO C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccccc1O ZINC000183618750 329251236 /nfs/dbraw/zinc/25/12/36/329251236.db2.gz VPSKQOYSNMYJQB-JQWIXIFHSA-N 1 0 257.337 2.323 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000186945190 329350631 /nfs/dbraw/zinc/35/06/31/329350631.db2.gz JKTBDALNCIHXEQ-BZUAXINKSA-N 1 0 260.381 2.410 20 10 CECDRO COc1ccc(CC[NH2+]Cc2cc(C)ccc2O)cn1 ZINC000527792979 330283668 /nfs/dbraw/zinc/28/36/68/330283668.db2.gz FFAZVGLAQLXRCR-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO CCn1ncc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)n1 ZINC000527926330 330296593 /nfs/dbraw/zinc/29/65/93/330296593.db2.gz ZIAYLXVSITYHCD-LBPRGKRZSA-N 1 0 274.368 2.471 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000228144034 333295788 /nfs/dbraw/zinc/29/57/88/333295788.db2.gz UMEWJXSQKGUFIU-UKRRQHHQSA-N 1 0 263.337 2.154 20 10 CECDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000235464588 333369844 /nfs/dbraw/zinc/36/98/44/333369844.db2.gz LASYZQPRNFXXOK-LLVKDONJSA-N 1 0 280.368 2.395 20 10 CECDRO COc1ccc(CC[NH2+]Cc2cc(F)ccc2O)cn1 ZINC000529663700 333504558 /nfs/dbraw/zinc/50/45/58/333504558.db2.gz ZTCQYHSRYRWBBJ-UHFFFAOYSA-N 1 0 276.311 2.267 20 10 CECDRO Cc1cc(O)c(CN[C@H]2CC[NH2+]C23CCC3)cc1C ZINC000530176965 333526986 /nfs/dbraw/zinc/52/69/86/333526986.db2.gz FHYVNZLBYUCOAW-HNNXBMFYSA-N 1 0 260.381 2.383 20 10 CECDRO CC[NH+](CC)CCSCC(=O)Nc1ccc(N)cc1 ZINC000088734005 520708096 /nfs/dbraw/zinc/70/80/96/520708096.db2.gz LXFPLCPIJCGZSP-UHFFFAOYSA-N 1 0 281.425 2.282 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCC[C@H]2CCO)c1O ZINC000279281454 518287609 /nfs/dbraw/zinc/28/76/09/518287609.db2.gz ONLIMJOLNCNUBC-XHDPSFHLSA-N 1 0 295.354 2.375 20 10 CECDRO CC(=O)N1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@H](C)C1 ZINC000292783822 519585996 /nfs/dbraw/zinc/58/59/96/519585996.db2.gz KYGPQMZBAKJNDA-CQSZACIVSA-N 1 0 289.423 2.114 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)c(O)c1 ZINC000289816634 520348221 /nfs/dbraw/zinc/34/82/21/520348221.db2.gz NWTOFVALOGCRGU-MRXNPFEDSA-N 1 0 297.370 2.477 20 10 CECDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000236900735 520725668 /nfs/dbraw/zinc/72/56/68/520725668.db2.gz BLZXFMSSRAKNSE-HNNXBMFYSA-N 1 0 289.423 2.002 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCNC(=O)C2CC2)cc1 ZINC000072670682 520904800 /nfs/dbraw/zinc/90/48/00/520904800.db2.gz HAYAXCBRFMBBCP-UHFFFAOYSA-N 1 0 289.423 2.149 20 10 CECDRO CCC[C@@]1([NH2+]Cc2cc(OC)ccc2O)CCOC1 ZINC000289828432 520965009 /nfs/dbraw/zinc/96/50/09/520965009.db2.gz UFEXZOAMHRYZJW-OAHLLOKOSA-N 1 0 265.353 2.450 20 10 CECDRO CC[N@@H+](Cc1cccc(OC)c1O)C[C@@H](C)OC ZINC000291059198 521353934 /nfs/dbraw/zinc/35/39/34/521353934.db2.gz JRPJIHSHMVZYQQ-LLVKDONJSA-N 1 0 253.342 2.258 20 10 CECDRO CCC[NH+](CCC)CCCNC(=O)Cc1ccc(N)cc1 ZINC000236991539 521646127 /nfs/dbraw/zinc/64/61/27/521646127.db2.gz QZEIOUZMQGTGSV-UHFFFAOYSA-N 1 0 291.439 2.440 20 10 CECDRO CCC[N@H+](CCOCCOC)Cc1ccccc1O ZINC000079409803 521669646 /nfs/dbraw/zinc/66/96/46/521669646.db2.gz XZNOJUCUPSVWOO-UHFFFAOYSA-N 1 0 267.369 2.267 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCN2CC=CCC2)c1O ZINC000279644865 522541393 /nfs/dbraw/zinc/54/13/93/522541393.db2.gz DHZWZPVAHLQCIZ-UHFFFAOYSA-N 1 0 296.798 2.406 20 10 CECDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccccc1O ZINC000280970630 522573251 /nfs/dbraw/zinc/57/32/51/522573251.db2.gz LHKWTUHYZTXRII-ZDUSSCGKSA-N 1 0 297.420 2.400 20 10 CECDRO CC[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(C)cc1O ZINC000280239241 522630507 /nfs/dbraw/zinc/63/05/07/522630507.db2.gz VWYHDBWPDXSFIW-HOCLYGCPSA-N 1 0 289.379 2.208 20 10 CECDRO CC[C@H]([NH2+]Cc1nncn1C)c1ccc(C)cc1O ZINC000280276091 522673228 /nfs/dbraw/zinc/67/32/28/522673228.db2.gz YDGMHJMEPVKZCV-LBPRGKRZSA-N 1 0 260.341 2.070 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cc1OC ZINC000276093301 522778033 /nfs/dbraw/zinc/77/80/33/522778033.db2.gz YEDYDTKFJRIWDW-OAHLLOKOSA-N 1 0 295.379 2.002 20 10 CECDRO CC[C@@H]([NH2+]CC[C@H](O)COC)c1ccc(C)cc1O ZINC000280151579 522839732 /nfs/dbraw/zinc/83/97/32/522839732.db2.gz QGAKUUUVVMTLBK-GXTWGEPZSA-N 1 0 267.369 2.139 20 10 CECDRO CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000289537969 524008306 /nfs/dbraw/zinc/00/83/06/524008306.db2.gz HYCCRLLPAJSZLG-CQSZACIVSA-N 1 0 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/nfs/dbraw/zinc/47/34/33/636473433.db2.gz JKRSLNWGZOKMEP-LBPRGKRZSA-N 1 0 276.380 2.301 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCc3n[nH]cc3C2)c1 ZINC000828013374 636486731 /nfs/dbraw/zinc/48/67/31/636486731.db2.gz BSZQXKBCHVJXHA-UHFFFAOYSA-N 1 0 257.337 2.372 20 10 CECDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccccc1O ZINC000828015778 636486801 /nfs/dbraw/zinc/48/68/01/636486801.db2.gz MPLCFSFCLHDDLU-UONOGXRCSA-N 1 0 276.380 2.306 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)c1coc(C[NH3+])c1 ZINC000829763871 636924450 /nfs/dbraw/zinc/92/44/50/636924450.db2.gz BPNNRBBJAKMXMW-UHFFFAOYSA-N 1 0 287.363 2.043 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2COCC2(C)C)c1O ZINC000832164935 637509678 /nfs/dbraw/zinc/50/96/78/637509678.db2.gz FLAJDUNLFYXKEL-ZDUSSCGKSA-N 1 0 281.327 2.249 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C=C2CCCC2)cc1 ZINC000832281978 637532896 /nfs/dbraw/zinc/53/28/96/637532896.db2.gz WQKBDBMLAQGIKA-MRXNPFEDSA-N 1 0 287.407 2.369 20 10 CECDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCc2ccc(F)cc21 ZINC000876630793 650367726 /nfs/dbraw/zinc/36/77/26/650367726.db2.gz KVKMCRITAUCKAR-GCLPIYDQSA-N 1 0 274.339 2.271 20 10 CECDRO CSC[C@@H](CCO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834597489 637886516 /nfs/dbraw/zinc/88/65/16/637886516.db2.gz GGLLTAGXFZHHQO-NEPJUHHUSA-N 1 0 267.394 2.083 20 10 CECDRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000834844790 637968541 /nfs/dbraw/zinc/96/85/41/637968541.db2.gz UYSXHIMBOLONSS-YGRLFVJLSA-N 1 0 287.787 2.484 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CCCO)c(O)c1 ZINC000834850403 637970503 /nfs/dbraw/zinc/97/05/03/637970503.db2.gz LXWZMWNTEXMLOG-GJZGRUSLSA-N 1 0 292.423 2.198 20 10 CECDRO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(N(C)C)cc1 ZINC000834908151 637984657 /nfs/dbraw/zinc/98/46/57/637984657.db2.gz HGCWGJGBVGRLJR-WBMJQRKESA-N 1 0 275.396 2.072 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC(=O)N2)c2c1c(F)ccc2O ZINC000834909427 637984978 /nfs/dbraw/zinc/98/49/78/637984978.db2.gz RLWKKRBDSSANQA-RDGWCUKFSA-N 1 0 292.354 2.338 20 10 CECDRO CCCNC(=O)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835036809 638033012 /nfs/dbraw/zinc/03/30/12/638033012.db2.gz RLNVLQOXNUYAHV-WAYWQWQTSA-N 1 0 289.423 2.272 20 10 CECDRO CC[S@](=O)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835040021 638034283 /nfs/dbraw/zinc/03/42/83/638034283.db2.gz OTUOIUCMXZAHGX-UEKDZROGSA-N 1 0 280.437 2.124 20 10 CECDRO COCCOC[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835044356 638035262 /nfs/dbraw/zinc/03/52/62/638035262.db2.gz ZAORBXXMJHTUFR-IYKSTZQJSA-N 1 0 292.423 2.407 20 10 CECDRO C[C@H](O)[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835045289 638035921 /nfs/dbraw/zinc/03/59/21/638035921.db2.gz UFIRHUZRJAUDFT-KBSCQGNFSA-N 1 0 274.408 2.469 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1 ZINC000835055221 638041151 /nfs/dbraw/zinc/04/11/51/638041151.db2.gz XEUFDFZONFICPL-SQRWCISFSA-N 1 0 274.408 2.469 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1F ZINC000835084455 638055170 /nfs/dbraw/zinc/05/51/70/638055170.db2.gz OCPNRJCMOWFUJK-DOMZBBRYSA-N 1 0 266.360 2.142 20 10 CECDRO Cc1cc(C[NH3+])oc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000876714278 650409064 /nfs/dbraw/zinc/40/90/64/650409064.db2.gz YVJCSNFMVBTQEU-UHFFFAOYSA-N 1 0 287.363 2.043 20 10 CECDRO Cc1ccc(C[N@H+](C)CC(=O)NCc2ccccc2)c(O)c1 ZINC000876755034 650421180 /nfs/dbraw/zinc/42/11/80/650421180.db2.gz IYBDVJGMHDFULX-UHFFFAOYSA-N 1 0 298.386 2.449 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876767146 650425708 /nfs/dbraw/zinc/42/57/08/650425708.db2.gz CFQCTILSIRQLNS-CABCVRRESA-N 1 0 289.423 2.051 20 10 CECDRO CN1CCCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000876769273 650426442 /nfs/dbraw/zinc/42/64/42/650426442.db2.gz QJIVPRQAFSZADW-FEAKQIBJSA-N 1 0 299.418 2.415 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(O)c1 ZINC000876817881 650444994 /nfs/dbraw/zinc/44/49/94/650444994.db2.gz OHKSANDOZZQWKN-GJZGRUSLSA-N 1 0 288.391 2.191 20 10 CECDRO Cc1nn(C)c(C)c1CC[NH2+]Cc1c(C)cccc1O ZINC000876909196 650482792 /nfs/dbraw/zinc/48/27/92/650482792.db2.gz XRTJNFUSFKTWOL-UHFFFAOYSA-N 1 0 273.380 2.383 20 10 CECDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000055083789 639339636 /nfs/dbraw/zinc/33/96/36/639339636.db2.gz AYJNACJDICAECB-LBPRGKRZSA-N 1 0 276.384 2.217 20 10 CECDRO C[C@@H]1OCC[N@H+](Cc2cc3c(cc2O)CCC3)[C@H]1C ZINC000164171607 639353714 /nfs/dbraw/zinc/35/37/14/639353714.db2.gz UKALUZHVVMRIMJ-RYUDHWBXSA-N 1 0 261.365 2.490 20 10 CECDRO C[C@H]1OCC[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1C ZINC000164171680 639353949 /nfs/dbraw/zinc/35/39/49/639353949.db2.gz UKALUZHVVMRIMJ-VXGBXAGGSA-N 1 0 261.365 2.490 20 10 CECDRO COCCOCCCC[NH2+][C@@H](C)c1ccccc1O ZINC000167442916 639517340 /nfs/dbraw/zinc/51/73/40/639517340.db2.gz LNXAJKJBWANROG-ZDUSSCGKSA-N 1 0 267.369 2.486 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)c(O)c1 ZINC000840824924 639553592 /nfs/dbraw/zinc/55/35/92/639553592.db2.gz AWJXHLAPYPEYKF-OLZOCXBDSA-N 1 0 276.380 2.186 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000840827203 639554437 /nfs/dbraw/zinc/55/44/37/639554437.db2.gz GCQBNFCARLXHBL-GOEBONIOSA-N 1 0 289.423 2.320 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1nnc2ccccn21 ZINC000226583459 639554921 /nfs/dbraw/zinc/55/49/21/639554921.db2.gz JIHQINSLSCPVTH-SNVBAGLBSA-N 1 0 286.310 2.425 20 10 CECDRO CCN(CC)C[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226607203 639555880 /nfs/dbraw/zinc/55/58/80/639555880.db2.gz KFTKWDKXDMIOIZ-NSHDSACASA-N 1 0 254.349 2.351 20 10 CECDRO Cc1cccc(C[NH2+]CCc2nnc3ccccn32)c1O ZINC000158079614 639569209 /nfs/dbraw/zinc/56/92/09/639569209.db2.gz LLFRHQVNSGHPTF-UHFFFAOYSA-N 1 0 282.347 2.076 20 10 CECDRO CC[S@@](=O)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000168763907 639581094 /nfs/dbraw/zinc/58/10/94/639581094.db2.gz ZHUCKKAZQCNBAG-DIFFPNOSSA-N 1 0 255.383 2.120 20 10 CECDRO CC(=O)NC1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840912187 639583188 /nfs/dbraw/zinc/58/31/88/639583188.db2.gz CAXWAPCQNLLNIL-UHFFFAOYSA-N 1 0 296.798 2.455 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000840913516 639584144 /nfs/dbraw/zinc/58/41/44/639584144.db2.gz GQZNFRDBECDMBB-UHFFFAOYSA-N 1 0 276.380 2.010 20 10 CECDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936272 639591126 /nfs/dbraw/zinc/59/11/26/639591126.db2.gz HYNJZFZFWNNGGL-ZIAGYGMSSA-N 1 0 291.439 2.454 20 10 CECDRO COC(=O)C1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840937555 639592534 /nfs/dbraw/zinc/59/25/34/639592534.db2.gz JQAJURBYIYODDD-UHFFFAOYSA-N 1 0 283.755 2.397 20 10 CECDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840942021 639595702 /nfs/dbraw/zinc/59/57/02/639595702.db2.gz ZVLBPFOGALIIDS-KRWDZBQOSA-N 1 0 289.423 2.019 20 10 CECDRO OC1CCC(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000227636490 639599372 /nfs/dbraw/zinc/59/93/72/639599372.db2.gz ZFYAUMUGZZZPOL-UHFFFAOYSA-N 1 0 261.365 2.262 20 10 CECDRO CO[C@](C)([C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000840961777 639602867 /nfs/dbraw/zinc/60/28/67/639602867.db2.gz ZEDCBUQRMFPLNL-QLJPJBMISA-N 1 0 293.363 2.414 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@H](O)C(C)C ZINC000840967402 639603948 /nfs/dbraw/zinc/60/39/48/639603948.db2.gz MNXRKSHVFJWBCE-MLGOLLRUSA-N 1 0 297.395 2.295 20 10 CECDRO CC[NH2+]CCNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000841035784 639627406 /nfs/dbraw/zinc/62/74/06/639627406.db2.gz LXHZVVQGPGBXOY-UHFFFAOYSA-N 1 0 289.345 2.471 20 10 CECDRO Cc1cc(O)c(CN[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000841043814 639630838 /nfs/dbraw/zinc/63/08/38/639630838.db2.gz WTFLYKHZEHVFIL-SNVBAGLBSA-N 1 0 254.761 2.196 20 10 CECDRO C[C@H]1CC[NH2+]C[C@H]1NCc1cc(Cl)ccc1O ZINC000841059227 639636153 /nfs/dbraw/zinc/63/61/53/639636153.db2.gz NQFIGLQRCWZJMH-JOYOIKCWSA-N 1 0 254.761 2.133 20 10 CECDRO COC[C@]1(CNCc2cc(Cl)cc(C)c2O)CCC[NH2+]1 ZINC000841068179 639642687 /nfs/dbraw/zinc/64/26/87/639642687.db2.gz WVFHDRNEEMCPJF-OAHLLOKOSA-N 1 0 298.814 2.212 20 10 CECDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000228562078 639644483 /nfs/dbraw/zinc/64/44/83/639644483.db2.gz TYRGURJMKIJYCI-DTWKUNHWSA-N 1 0 288.185 2.404 20 10 CECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000841079790 639648309 /nfs/dbraw/zinc/64/83/09/639648309.db2.gz NZSNRWLZRNSLLL-GFCCVEGCSA-N 1 0 284.762 2.416 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@H](CC[NH3+])C(F)(F)F ZINC000841091709 639654548 /nfs/dbraw/zinc/65/45/48/639654548.db2.gz DFUZDEJJGSGHFR-CYBMUJFWSA-N 1 0 289.345 2.430 20 10 CECDRO CCOc1ccc(O)c(CN[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000841091251 639654816 /nfs/dbraw/zinc/65/48/16/639654816.db2.gz VVWOHXLMTODTKU-GFCCVEGCSA-N 1 0 292.301 2.160 20 10 CECDRO Oc1cccc(Cl)c1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105307 639671547 /nfs/dbraw/zinc/67/15/47/639671547.db2.gz JOTHAELHZPGYQN-CQSZACIVSA-N 1 0 266.772 2.374 20 10 CECDRO C[NH2+][C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229102695 639676519 /nfs/dbraw/zinc/67/65/19/639676519.db2.gz IYVHGKSWCLCLKN-GFCCVEGCSA-N 1 0 284.787 2.238 20 10 CECDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000876996616 650524114 /nfs/dbraw/zinc/52/41/14/650524114.db2.gz XBIWTTIPYFBICO-DOMZBBRYSA-N 1 0 288.391 2.158 20 10 CECDRO COC(=O)c1[nH]c(C[NH2+]Cc2ccccc2O)cc1C ZINC000876996342 650524182 /nfs/dbraw/zinc/52/41/82/650524182.db2.gz TXKGRRGVWBDOMV-UHFFFAOYSA-N 1 0 274.320 2.105 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000841936282 639908031 /nfs/dbraw/zinc/90/80/31/639908031.db2.gz GSWWZAAZEMTFRV-AWEZNQCLSA-N 1 0 291.395 2.066 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000877025012 650536469 /nfs/dbraw/zinc/53/64/69/650536469.db2.gz WQJRBQAJRMJBDP-AWEZNQCLSA-N 1 0 260.381 2.275 20 10 CECDRO CSCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877053220 650549826 /nfs/dbraw/zinc/54/98/26/650549826.db2.gz GZFPGBHGZWTNRD-UHFFFAOYSA-N 1 0 294.464 2.490 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CO[C@@H](C)C3)C2)cc1 ZINC000842713890 640157596 /nfs/dbraw/zinc/15/75/96/640157596.db2.gz JYQPDLKOCCQTQD-RRFJBIMHSA-N 1 0 290.407 2.289 20 10 CECDRO CC(C)(C[NH2+][C@@H]1CCc2cccc(O)c21)[C@]1(O)CCOC1 ZINC000842920951 640221556 /nfs/dbraw/zinc/22/15/56/640221556.db2.gz UKQTUCQXFLRAEZ-DYVFJYSZSA-N 1 0 291.391 2.147 20 10 CECDRO CN(Cc1c(O)cccc1Cl)C1CC[NH2+]CC1 ZINC000843046142 640250907 /nfs/dbraw/zinc/25/09/07/640250907.db2.gz OJMVZJRPPSWHLB-UHFFFAOYSA-N 1 0 254.761 2.229 20 10 CECDRO c1cc(N2CCCCC2)ccc1CN1CCC[NH2+]CC1 ZINC000843047734 640252247 /nfs/dbraw/zinc/25/22/47/640252247.db2.gz YOFQWBFFRKMECV-UHFFFAOYSA-N 1 0 273.424 2.472 20 10 CECDRO COc1cc(Cl)cc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1O ZINC000843055396 640257778 /nfs/dbraw/zinc/25/77/78/640257778.db2.gz ISLMQZWIGTYICF-CYBMUJFWSA-N 1 0 296.798 2.381 20 10 CECDRO Cc1cc(O)c(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1C ZINC000843056366 640258322 /nfs/dbraw/zinc/25/83/22/640258322.db2.gz ZTZBJGPBKQQNBD-OAHLLOKOSA-N 1 0 260.381 2.335 20 10 CECDRO C[C@H]1[NH2+]CCN(Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000843056964 640259880 /nfs/dbraw/zinc/25/98/80/640259880.db2.gz DHSDGMYJKUTSHS-VXGBXAGGSA-N 1 0 265.376 2.074 20 10 CECDRO CCC[C@@H]1C[NH2+]CCN1Cc1cccc(F)c1O ZINC000843058663 640261271 /nfs/dbraw/zinc/26/12/71/640261271.db2.gz ZWWCCXHKYZTLRO-GFCCVEGCSA-N 1 0 252.333 2.105 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CC[NH2+]C[C@@](C)(F)C2)cc1 ZINC000843124559 640290481 /nfs/dbraw/zinc/29/04/81/640290481.db2.gz CAAHFYIPGMUTAH-LAQIPUCWSA-N 1 0 291.414 2.399 20 10 CECDRO [O-]c1c(F)cccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843126580 640293529 /nfs/dbraw/zinc/29/35/29/640293529.db2.gz KSLSHWVLRYMGDF-UHFFFAOYSA-N 1 0 264.344 2.107 20 10 CECDRO Oc1ccc(F)cc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000843128380 640295153 /nfs/dbraw/zinc/29/51/53/640295153.db2.gz KPIRPBBYUQZXBQ-AWEZNQCLSA-N 1 0 264.344 2.296 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C)CCCC2)cc1 ZINC000843296877 640379367 /nfs/dbraw/zinc/37/93/67/640379367.db2.gz HLUMVPCQGVMHFQ-OAHLLOKOSA-N 1 0 289.423 2.449 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)c(O)c1 ZINC000914432984 640404097 /nfs/dbraw/zinc/40/40/97/640404097.db2.gz IQGDKLYPLQRFKE-GJZGRUSLSA-N 1 0 277.364 2.306 20 10 CECDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000843365848 640406404 /nfs/dbraw/zinc/40/64/04/640406404.db2.gz YNRZIKFGCZKZPC-CQSZACIVSA-N 1 0 294.370 2.308 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CC[NH3+])c1O ZINC000843384953 640412806 /nfs/dbraw/zinc/41/28/06/640412806.db2.gz LQJFMLCVWIXFAD-CQSZACIVSA-N 1 0 294.370 2.437 20 10 CECDRO COCC1(CC[NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000843419415 640421260 /nfs/dbraw/zinc/42/12/60/640421260.db2.gz WBYCYGFLSLGUTH-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000843418030 640421718 /nfs/dbraw/zinc/42/17/18/640421718.db2.gz NTFRTGXJUYSRAF-OAHLLOKOSA-N 1 0 295.404 2.109 20 10 CECDRO CCC[N@H+](Cc1cc(F)ccc1O)[C@H]1CCN(C)C1 ZINC000843421354 640423131 /nfs/dbraw/zinc/42/31/31/640423131.db2.gz CENKELKPTNEAGI-AWEZNQCLSA-N 1 0 266.360 2.447 20 10 CECDRO CCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCN(C)C1 ZINC000843421362 640423434 /nfs/dbraw/zinc/42/34/34/640423434.db2.gz CIOKYGKXMNBZMJ-CYBMUJFWSA-N 1 0 292.379 2.037 20 10 CECDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000843426823 640426736 /nfs/dbraw/zinc/42/67/36/640426736.db2.gz BKEJVTOAEPWHCS-YPMHNXCESA-N 1 0 297.395 2.296 20 10 CECDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C2 ZINC000915228891 640532656 /nfs/dbraw/zinc/53/26/56/640532656.db2.gz FGSAGUNJPOERKX-INIZCTEOSA-N 1 0 296.418 2.498 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000844167098 640622156 /nfs/dbraw/zinc/62/21/56/640622156.db2.gz OXFGNSAVCBWMOI-GASCZTMLSA-N 1 0 289.423 2.229 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)[C@H](C)CCO)cc1 ZINC000844452634 640733558 /nfs/dbraw/zinc/73/35/58/640733558.db2.gz WZJWTBNKLHEMQL-CYBMUJFWSA-N 1 0 250.386 2.345 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000844754746 640827567 /nfs/dbraw/zinc/82/75/67/640827567.db2.gz YQHDVFUGLTZACY-PHIMTYICSA-N 1 0 269.291 2.406 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(CC3(F)F)C1)[C@@H](O)CO2 ZINC000844756295 640828911 /nfs/dbraw/zinc/82/89/11/640828911.db2.gz JXAHIFUOVGGOAF-JSGCOSHPSA-N 1 0 297.301 2.049 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])[C@H]1CC[NH3+] ZINC000844901213 640860425 /nfs/dbraw/zinc/86/04/25/640860425.db2.gz FZCVMLSBEXUJPN-FZMZJTMJSA-N 1 0 266.360 2.481 20 10 CECDRO CCN1C[C@H](C[NH2+]Cc2cc(Cl)cc(C)c2O)CC1=O ZINC000846096684 641181165 /nfs/dbraw/zinc/18/11/65/641181165.db2.gz JZQBHLZCOSEIEF-NSHDSACASA-N 1 0 296.798 2.312 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1O ZINC000846138210 641197764 /nfs/dbraw/zinc/19/77/64/641197764.db2.gz AAIFZGMXNGWGCO-RYUDHWBXSA-N 1 0 275.352 2.337 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846144309 641200177 /nfs/dbraw/zinc/20/01/77/641200177.db2.gz CDWHGHDNLPQIRU-NWDGAFQWSA-N 1 0 292.379 2.062 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846155998 641206171 /nfs/dbraw/zinc/20/61/71/641206171.db2.gz RKDQTBBVVCOCAY-RYUDHWBXSA-N 1 0 283.368 2.103 20 10 CECDRO COC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)C1CC1 ZINC000846157674 641207199 /nfs/dbraw/zinc/20/71/99/641207199.db2.gz OAHRJPHVABLYJQ-ZWNOBZJWSA-N 1 0 265.353 2.476 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC000846169027 641210531 /nfs/dbraw/zinc/21/05/31/641210531.db2.gz XHDFKORJEVPOGZ-NEPJUHHUSA-N 1 0 292.379 2.062 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCc2cn[nH]c2)c1O ZINC000846170163 641211445 /nfs/dbraw/zinc/21/14/45/641211445.db2.gz JBNPPNFAUXCYET-JTQLQIEISA-N 1 0 261.325 2.017 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1O ZINC000846205512 641220454 /nfs/dbraw/zinc/22/04/54/641220454.db2.gz HTCFKGFJSBZDRU-NWDGAFQWSA-N 1 0 274.364 2.054 20 10 CECDRO O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000846474564 641312358 /nfs/dbraw/zinc/31/23/58/641312358.db2.gz VDLFJDHAAJEAQE-ZDUSSCGKSA-N 1 0 294.782 2.289 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2C=CCC2)cc1 ZINC000846663218 641380063 /nfs/dbraw/zinc/38/00/63/641380063.db2.gz FLMUAXFLGOJJOF-BBRMVZONSA-N 1 0 287.407 2.225 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000846663982 641381820 /nfs/dbraw/zinc/38/18/20/641381820.db2.gz UDCRSXGWVBCRFF-GDBMZVCRSA-N 1 0 287.407 2.225 20 10 CECDRO CCOc1cccc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])c1O ZINC000070175516 641641859 /nfs/dbraw/zinc/64/18/59/641641859.db2.gz OROJWMQXNUNPKK-OCCSQVGLSA-N 1 0 278.396 2.350 20 10 CECDRO C[C@H]([NH2+]CCc1ccnn1C)c1cc(F)ccc1O ZINC000184025829 641828969 /nfs/dbraw/zinc/82/89/69/641828969.db2.gz CPFWTJQGOKEODJ-JTQLQIEISA-N 1 0 263.316 2.158 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000184286050 641851999 /nfs/dbraw/zinc/85/19/99/641851999.db2.gz MFTNHEZLUANXCN-INIZCTEOSA-N 1 0 277.364 2.000 20 10 CECDRO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(C)cc1O ZINC000877415978 650713417 /nfs/dbraw/zinc/71/34/17/650713417.db2.gz FNZYRKQRPCDCCQ-JSGCOSHPSA-N 1 0 277.364 2.474 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)c(O)c1 ZINC000848564421 642056198 /nfs/dbraw/zinc/05/61/98/642056198.db2.gz NDFNKNCBLHAHFJ-RYUDHWBXSA-N 1 0 286.379 2.037 20 10 CECDRO O=C1O[C@H](C[NH2+]Cc2c(O)cccc2Cl)CN1C1CC1 ZINC000848577252 642063119 /nfs/dbraw/zinc/06/31/19/642063119.db2.gz KIOKGAHUJHHQCM-SNVBAGLBSA-N 1 0 296.754 2.118 20 10 CECDRO COC1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCOCC1 ZINC000186147246 642072653 /nfs/dbraw/zinc/07/26/53/642072653.db2.gz UMMRRVQBMCVCOL-LLVKDONJSA-N 1 0 283.343 2.378 20 10 CECDRO CCc1cccc(C[NH+]2CCN(c3cnccn3)CC2)c1O ZINC000848880144 642168145 /nfs/dbraw/zinc/16/81/45/642168145.db2.gz ATZDVIWYAHFPDS-UHFFFAOYSA-N 1 0 298.390 2.067 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)CO[C@H]2CCOC2)c1O ZINC000848898540 642177823 /nfs/dbraw/zinc/17/78/23/642177823.db2.gz DWSBIVSJCWHNDT-DOMZBBRYSA-N 1 0 279.380 2.238 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000877458447 650728163 /nfs/dbraw/zinc/72/81/63/650728163.db2.gz UITYMUZLFFZRHJ-UHFFFAOYSA-N 1 0 288.391 2.145 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)c1O ZINC000848905013 642181638 /nfs/dbraw/zinc/18/16/38/642181638.db2.gz FPZSMFCSBDODSS-RISCZKNCSA-N 1 0 277.364 2.338 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@@H](CO)COC(C)C)c1O ZINC000848911501 642186139 /nfs/dbraw/zinc/18/61/39/642186139.db2.gz GGCWJAOMAFKGKO-HNNXBMFYSA-N 1 0 281.396 2.172 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)c1O ZINC000848916711 642189498 /nfs/dbraw/zinc/18/94/98/642189498.db2.gz WZPWTFZLKMPMFP-WCQYABFASA-N 1 0 273.323 2.449 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](CC)[C@H](O)C(F)F)c1O ZINC000848916709 642190194 /nfs/dbraw/zinc/19/01/94/642190194.db2.gz WZPWTFZLKMPMFP-AAEUAGOBSA-N 1 0 273.323 2.449 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1O ZINC000848917983 642191339 /nfs/dbraw/zinc/19/13/39/642191339.db2.gz MALIZMBLTRYAHU-STQMWFEESA-N 1 0 263.381 2.405 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2c(C)cccc2O)[C@H]1C ZINC000877467004 650732804 /nfs/dbraw/zinc/73/28/04/650732804.db2.gz VDZYZJHKKPOWBW-RYUDHWBXSA-N 1 0 263.337 2.084 20 10 CECDRO CCCN1CCC[N@H+](Cc2c(C)cccc2O)CC1=O ZINC000877470250 650735634 /nfs/dbraw/zinc/73/56/34/650735634.db2.gz AEHKOBVEXREXHK-UHFFFAOYSA-N 1 0 276.380 2.145 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCCN(C(C)=O)C2)cc1C ZINC000998336548 642389475 /nfs/dbraw/zinc/38/94/75/642389475.db2.gz HIJPFQVXBORZIO-OAHLLOKOSA-N 1 0 276.380 2.104 20 10 CECDRO Cn1cc(CCC[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921657225 642407662 /nfs/dbraw/zinc/40/76/62/642407662.db2.gz YKLXPHOAXJTSPK-UHFFFAOYSA-N 1 0 285.391 2.468 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2cnc3n2CCC3)cc1F ZINC000850099771 642578414 /nfs/dbraw/zinc/57/84/14/642578414.db2.gz XWNHTAYCYCJWFQ-UHFFFAOYSA-N 1 0 288.370 2.324 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000850138449 642591876 /nfs/dbraw/zinc/59/18/76/642591876.db2.gz FOOXIPZPIXRJBY-APHBMKBZSA-N 1 0 290.407 2.348 20 10 CECDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921770200 642601567 /nfs/dbraw/zinc/60/15/67/642601567.db2.gz HQZBCUASYXYHHE-UHFFFAOYSA-N 1 0 277.364 2.443 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccccn3)C2)cc1 ZINC000850345757 642674273 /nfs/dbraw/zinc/67/42/73/642674273.db2.gz JTCJCSRQHIHBAZ-HNNXBMFYSA-N 1 0 283.375 2.459 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCc1cnccc1C ZINC000850355017 642679994 /nfs/dbraw/zinc/67/99/94/642679994.db2.gz AZLXNVRRDCRMRP-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO CCO[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000850360500 642682407 /nfs/dbraw/zinc/68/24/07/642682407.db2.gz JVHSHNBDGNPPPS-XYPYZODXSA-N 1 0 251.326 2.058 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)C2(CO)CC2)c1 ZINC000850360396 642682529 /nfs/dbraw/zinc/68/25/29/642682529.db2.gz DQSSHWHDLVOPIJ-NSHDSACASA-N 1 0 265.353 2.042 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850367917 642684304 /nfs/dbraw/zinc/68/43/04/642684304.db2.gz RXGQFPGVCYVXFH-LLVKDONJSA-N 1 0 263.337 2.202 20 10 CECDRO c1cc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)co1 ZINC000850376753 642689595 /nfs/dbraw/zinc/68/95/95/642689595.db2.gz LRAZGVMGDAECKD-UHFFFAOYSA-N 1 0 286.375 2.449 20 10 CECDRO CCOc1cccc(C[NH2+]CCc2cncc(C)n2)c1O ZINC000850390556 642697652 /nfs/dbraw/zinc/69/76/52/642697652.db2.gz IZQVBJJUOCPXPR-UHFFFAOYSA-N 1 0 287.363 2.222 20 10 CECDRO CCCN1CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000850395262 642698595 /nfs/dbraw/zinc/69/85/95/642698595.db2.gz QGZRYIGUTMTRRS-AWEZNQCLSA-N 1 0 279.403 2.466 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCOCC3)C2)cc1 ZINC000850487730 642729792 /nfs/dbraw/zinc/72/97/92/642729792.db2.gz JDAKHUOHCKMDBI-HUUCEWRRSA-N 1 0 290.407 2.433 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCOC[C@@H]3C)C2)cc1 ZINC000850489389 642730799 /nfs/dbraw/zinc/73/07/99/642730799.db2.gz SUKPMRCEJXXAGN-ZQIUZPCESA-N 1 0 290.407 2.289 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c1O ZINC000850545292 642747132 /nfs/dbraw/zinc/74/71/32/642747132.db2.gz ABTVTZZODYUBDV-ONGXEEELSA-N 1 0 282.771 2.283 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1O ZINC000850545432 642747176 /nfs/dbraw/zinc/74/71/76/642747176.db2.gz GVUHBEIPPMYDOV-ZLKJLUDKSA-N 1 0 277.364 2.355 20 10 CECDRO COC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC000921920001 642787452 /nfs/dbraw/zinc/78/74/52/642787452.db2.gz YYJCQXJDAOGHIU-UHFFFAOYSA-N 1 0 291.391 2.297 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c(O)c1 ZINC000877589701 650803449 /nfs/dbraw/zinc/80/34/49/650803449.db2.gz JQNBEBZRZKWXAR-YPMHNXCESA-N 1 0 271.307 2.339 20 10 CECDRO CCOCc1cc(C[NH2+]CC2OCCCO2)ccc1OC ZINC000922276321 642995860 /nfs/dbraw/zinc/99/58/60/642995860.db2.gz FPPWQISHEUACPR-UHFFFAOYSA-N 1 0 295.379 2.084 20 10 CECDRO C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccccc1O ZINC000922330691 643034553 /nfs/dbraw/zinc/03/45/53/643034553.db2.gz YRNBFCICXAEOBT-LLVKDONJSA-N 1 0 263.316 2.409 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000877609264 650812396 /nfs/dbraw/zinc/81/23/96/650812396.db2.gz JBBCLEHGJYWMPO-UHFFFAOYSA-N 1 0 261.365 2.438 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@]1(OC)CCSC1 ZINC000922572250 643131240 /nfs/dbraw/zinc/13/12/40/643131240.db2.gz SXKSTGDZORYCFP-CQSZACIVSA-N 1 0 283.393 2.013 20 10 CECDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(C)cc2O)C1 ZINC000877623110 650818871 /nfs/dbraw/zinc/81/88/71/650818871.db2.gz IVTFPQRRMUHPQD-FVQBIDKESA-N 1 0 293.407 2.356 20 10 CECDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3ccccc3O)C[C@@H]2O1 ZINC000922876440 643302749 /nfs/dbraw/zinc/30/27/49/643302749.db2.gz XNNDQWUAUGLHEU-DEZZGGKRSA-N 1 0 263.337 2.164 20 10 CECDRO COC(=O)NC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877645068 650832298 /nfs/dbraw/zinc/83/22/98/650832298.db2.gz ZYKCDWCFFJYSOE-UHFFFAOYSA-N 1 0 278.352 2.021 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000877652494 650834726 /nfs/dbraw/zinc/83/47/26/650834726.db2.gz INBRISMUZNGBOH-OCCSQVGLSA-N 1 0 276.380 2.238 20 10 CECDRO COC(=O)c1cc(C[NH2+]Cc2cc(C)ccc2O)[nH]c1C ZINC000877652582 650834781 /nfs/dbraw/zinc/83/47/81/650834781.db2.gz LELSJFSRADNAAD-UHFFFAOYSA-N 1 0 288.347 2.414 20 10 CECDRO Cn1nc(C[NH2+]Cc2ccccc2O)cc1C1CC1 ZINC000922953619 643470989 /nfs/dbraw/zinc/47/09/89/643470989.db2.gz CZNYQTBLRJSTKF-UHFFFAOYSA-N 1 0 257.337 2.293 20 10 CECDRO CC[C@@H]([NH2+]C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000852776164 643547011 /nfs/dbraw/zinc/54/70/11/643547011.db2.gz LHWJLCNBHJGZPK-MRXNPFEDSA-N 1 0 291.439 2.489 20 10 CECDRO COc1ccc(CNC(=O)C[C@@H](C[NH3+])CC(C)C)c(O)c1 ZINC000852825423 643566593 /nfs/dbraw/zinc/56/65/93/643566593.db2.gz KCBCQPWICKANPB-LBPRGKRZSA-N 1 0 294.395 2.028 20 10 CECDRO CC[C@]1(O)CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000877690554 650851945 /nfs/dbraw/zinc/85/19/45/650851945.db2.gz ALOATJRTRLYHQP-HNNXBMFYSA-N 1 0 265.353 2.138 20 10 CECDRO Cc1cc(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)ccc1N(C)C ZINC000923417067 643698926 /nfs/dbraw/zinc/69/89/26/643698926.db2.gz UEDLJESNNGTWQC-RDJZCZTQSA-N 1 0 273.424 2.387 20 10 CECDRO C[C@H]1COC2(CCC2)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000853542943 643808237 /nfs/dbraw/zinc/80/82/37/643808237.db2.gz WHGQYDZVXJIUTF-NSHDSACASA-N 1 0 291.347 2.264 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccn(C)n1 ZINC000840816412 644057837 /nfs/dbraw/zinc/05/78/37/644057837.db2.gz VZKJFOCCJIQVRG-ZWNOBZJWSA-N 1 0 257.337 2.464 20 10 CECDRO CCOc1cccc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1O ZINC000877743513 650888567 /nfs/dbraw/zinc/88/85/67/650888567.db2.gz KWHPFIOUOMAFIH-ZFWWWQNUSA-N 1 0 290.407 2.317 20 10 CECDRO C[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)Cc1ccccc1O ZINC000838896418 644072459 /nfs/dbraw/zinc/07/24/59/644072459.db2.gz TVNZFJHALIEALU-UHFFFAOYSA-N 1 0 285.347 2.397 20 10 CECDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112380122 644101677 /nfs/dbraw/zinc/10/16/77/644101677.db2.gz VFVSSMSWRNQPDJ-MEBBXXQBSA-N 1 0 281.352 2.008 20 10 CECDRO CCOc1cccc(C[NH+]2CC3(C2)CCCOC3)c1O ZINC000839137668 644171159 /nfs/dbraw/zinc/17/11/59/644171159.db2.gz DPTNXTBFXFQCTI-UHFFFAOYSA-N 1 0 277.364 2.403 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(O)c1 ZINC000839191236 644185010 /nfs/dbraw/zinc/18/50/10/644185010.db2.gz HEALGHGHNSVYPA-AAEUAGOBSA-N 1 0 265.378 2.481 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccccc1O ZINC000877755803 650899208 /nfs/dbraw/zinc/89/92/08/650899208.db2.gz NNXOVJDTXGLROJ-SNVBAGLBSA-N 1 0 295.360 2.240 20 10 CECDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1O)C1CCOCC1 ZINC000877755880 650899411 /nfs/dbraw/zinc/89/94/11/650899411.db2.gz QFRCSNIFYXWNIC-MLGOLLRUSA-N 1 0 279.380 2.484 20 10 CECDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1O)C1CCOCC1 ZINC000877758275 650900075 /nfs/dbraw/zinc/90/00/75/650900075.db2.gz QFRCSNIFYXWNIC-BLLLJJGKSA-N 1 0 279.380 2.484 20 10 CECDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2O)cn1C ZINC000877758229 650900122 /nfs/dbraw/zinc/90/01/22/650900122.db2.gz OIHNQQSAUJVGSN-NSHDSACASA-N 1 0 288.347 2.368 20 10 CECDRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H](C)c1ccccc1O ZINC000877758117 650900266 /nfs/dbraw/zinc/90/02/66/650900266.db2.gz JNEJWZZLYUNATF-RWMBFGLXSA-N 1 0 276.380 2.490 20 10 CECDRO C[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccccc1O ZINC000877757966 650900306 /nfs/dbraw/zinc/90/03/06/650900306.db2.gz AXYFYPUTRJKCJI-RYUDHWBXSA-N 1 0 297.420 2.256 20 10 CECDRO CC[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839480262 644237806 /nfs/dbraw/zinc/23/78/06/644237806.db2.gz QDVMMFVFPITVPW-HNNXBMFYSA-N 1 0 289.423 2.243 20 10 CECDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(O)c1O ZINC000855163591 644262488 /nfs/dbraw/zinc/26/24/88/644262488.db2.gz DLIVDERNGYSFEX-NSHDSACASA-N 1 0 292.379 2.009 20 10 CECDRO COc1cccc(C[NH2+]Cc2cc(C)ccc2O)n1 ZINC000113336365 644356859 /nfs/dbraw/zinc/35/68/59/644356859.db2.gz BFXJISKBBQXMKZ-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CC[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756344289 644632371 /nfs/dbraw/zinc/63/23/71/644632371.db2.gz SXLLIYFCAQYRFV-NGZCFLSTSA-N 1 0 253.317 2.440 20 10 CECDRO COCCN(C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756528723 644659000 /nfs/dbraw/zinc/65/90/00/644659000.db2.gz OZNJGXDDDMKMQN-DGCLKSJQSA-N 1 0 296.386 2.247 20 10 CECDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Cl)ccc1O ZINC000756535697 644659813 /nfs/dbraw/zinc/65/98/13/644659813.db2.gz PUYJDHVVGCDDSJ-NEPJUHHUSA-N 1 0 298.814 2.417 20 10 CECDRO C[C@H](CCO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756584995 644672767 /nfs/dbraw/zinc/67/27/67/644672767.db2.gz IDVFHWQYDWHGLW-NGZCFLSTSA-N 1 0 253.317 2.440 20 10 CECDRO C[C@H]([NH2+]CCCNc1ncccn1)c1cc(F)ccc1O ZINC000756643530 644678258 /nfs/dbraw/zinc/67/82/58/644678258.db2.gz VLRYKWKFFJYTDW-NSHDSACASA-N 1 0 290.342 2.474 20 10 CECDRO CCn1cnnc1CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756734734 644688466 /nfs/dbraw/zinc/68/84/66/644688466.db2.gz ZWWDDNDUCQSSKR-LBPRGKRZSA-N 1 0 274.368 2.205 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756773631 644691684 /nfs/dbraw/zinc/69/16/84/644691684.db2.gz AMDAVXGQSUOMTN-IACUBPJLSA-N 1 0 276.380 2.266 20 10 CECDRO C[C@@H]([NH2+]CCCn1cncn1)c1cc(Cl)ccc1O ZINC000756830019 644696600 /nfs/dbraw/zinc/69/66/00/644696600.db2.gz NWRSZPRAVGLGAG-SNVBAGLBSA-N 1 0 280.759 2.378 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]3COCC[C@@H]31)OCO2 ZINC000756887101 644706389 /nfs/dbraw/zinc/70/63/89/644706389.db2.gz MUJXBNZYQWBEFG-AAEUAGOBSA-N 1 0 291.347 2.122 20 10 CECDRO Cc1cc(Br)c(O)c(CN(C)[C@@H](C)C[NH3+])c1 ZINC000843051999 644759070 /nfs/dbraw/zinc/75/90/70/644759070.db2.gz NXVAPESVAZXWPH-VIFPVBQESA-N 1 0 287.201 2.242 20 10 CECDRO CCN(C)c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1 ZINC000839651779 644763114 /nfs/dbraw/zinc/76/31/14/644763114.db2.gz RDNNLYYSBAYTLI-WBVHZDCISA-N 1 0 292.423 2.020 20 10 CECDRO COc1cccc(C[NH2+]Cc2cn(C)nc2Cl)c1O ZINC000857046378 644800145 /nfs/dbraw/zinc/80/01/45/644800145.db2.gz MUEVZKZMPCEXDA-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c1O ZINC000857061064 644805809 /nfs/dbraw/zinc/80/58/09/644805809.db2.gz JESXYKHCMCMLIH-DOMZBBRYSA-N 1 0 263.381 2.405 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CCCn2ccnn2)c2c1c(F)ccc2O ZINC000757656498 644831901 /nfs/dbraw/zinc/83/19/01/644831901.db2.gz IXCQIBOMCZNEQF-CMPLNLGQSA-N 1 0 290.342 2.351 20 10 CECDRO Cc1cccc(C[NH2+]Cc2ccc3c(c2)C(=O)NCC3)c1O ZINC000757944757 644861746 /nfs/dbraw/zinc/86/17/46/644861746.db2.gz VOVBKNNXHOUURF-UHFFFAOYSA-N 1 0 296.370 2.276 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCOC[C@@H]2OCC)c(O)c1 ZINC000759172290 644991518 /nfs/dbraw/zinc/99/15/18/644991518.db2.gz HLMKIUAHHDRULP-HOCLYGCPSA-N 1 0 295.379 2.075 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCOC[C@H]2OCC)c1O ZINC000759172220 644991807 /nfs/dbraw/zinc/99/18/07/644991807.db2.gz DRASEBJLHSPZQV-DZGCQCFKSA-N 1 0 295.379 2.075 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCO2)cc1F ZINC000858087147 645055880 /nfs/dbraw/zinc/05/58/80/645055880.db2.gz UNBMEVJYFYGHOO-NSHDSACASA-N 1 0 270.323 2.299 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CCCn2cccn2)cc1F ZINC000858092556 645058220 /nfs/dbraw/zinc/05/82/20/645058220.db2.gz FRCITMJAANCTGG-UHFFFAOYSA-N 1 0 294.349 2.407 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CC2(O)CCCC2)cc1F ZINC000858133266 645070019 /nfs/dbraw/zinc/07/00/19/645070019.db2.gz MONDLNXRZIAQSR-UHFFFAOYSA-N 1 0 284.350 2.426 20 10 CECDRO CC1(O)CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000759748217 645070545 /nfs/dbraw/zinc/07/05/45/645070545.db2.gz VILRCGOATJEEBT-UHFFFAOYSA-N 1 0 261.365 2.228 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](O)C2CCC2)cc1F ZINC000858174531 645080250 /nfs/dbraw/zinc/08/02/50/645080250.db2.gz TUTYTVGQBKQFOE-OAHLLOKOSA-N 1 0 284.350 2.281 20 10 CECDRO CCn1nncc1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000858202640 645087870 /nfs/dbraw/zinc/08/78/70/645087870.db2.gz FNBBKBYTMYOVRI-WAYWQWQTSA-N 1 0 285.395 2.167 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cn(C3CCC3)nn2)c1 ZINC000858239815 645095811 /nfs/dbraw/zinc/09/58/11/645095811.db2.gz URBGTBYZNFHDPU-UHFFFAOYSA-N 1 0 272.352 2.307 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cnn3c2CCC3)c1 ZINC000858238866 645096119 /nfs/dbraw/zinc/09/61/19/645096119.db2.gz DPXOOKSRKACIRI-UHFFFAOYSA-N 1 0 257.337 2.133 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC2COC2)cc1F ZINC000858298206 645110239 /nfs/dbraw/zinc/11/02/39/645110239.db2.gz OGXWZDIBSGLOFP-UHFFFAOYSA-N 1 0 266.360 2.408 20 10 CECDRO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(Cl)cc1O ZINC000858435817 645158471 /nfs/dbraw/zinc/15/84/71/645158471.db2.gz UMFDFNHPJRQPII-BXKDBHETSA-N 1 0 295.770 2.163 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000858472083 645172557 /nfs/dbraw/zinc/17/25/57/645172557.db2.gz FRZNOMHHKPBIAT-JQWIXIFHSA-N 1 0 261.321 2.305 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2ccn(C)n2)cc1C ZINC000760632430 645177649 /nfs/dbraw/zinc/17/76/49/645177649.db2.gz HLEALERKPAAOSJ-UHFFFAOYSA-N 1 0 259.353 2.075 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCC(=O)NC)cc1 ZINC000765406329 645764094 /nfs/dbraw/zinc/76/40/94/645764094.db2.gz VAUYJGJFSSKINE-CYBMUJFWSA-N 1 0 277.412 2.320 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCOCC2CCC2)c1 ZINC000765675272 645797379 /nfs/dbraw/zinc/79/73/79/645797379.db2.gz GAMCBAOIBILEDR-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO CC(C)[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC1CC1 ZINC000768439849 646123013 /nfs/dbraw/zinc/12/30/13/646123013.db2.gz NVHPQGBXXYKDCT-OAHLLOKOSA-N 1 0 277.364 2.438 20 10 CECDRO CC[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CCC1 ZINC000768448779 646123750 /nfs/dbraw/zinc/12/37/50/646123750.db2.gz WNDDHWWHAZKSFR-CQSZACIVSA-N 1 0 263.337 2.192 20 10 CECDRO COc1cc(C[N@H+](C)CCCn2ccnc2)c(O)cc1C ZINC000768462126 646126190 /nfs/dbraw/zinc/12/61/90/646126190.db2.gz JRJQHIITIQYHLI-UHFFFAOYSA-N 1 0 289.379 2.428 20 10 CECDRO CC[C@]1(C)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464175 646126735 /nfs/dbraw/zinc/12/67/35/646126735.db2.gz OARHNSSODOJADR-GDBMZVCRSA-N 1 0 277.364 2.440 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H](OC)C2)c(O)c1 ZINC000769450873 646269169 /nfs/dbraw/zinc/26/91/69/646269169.db2.gz ITMXYOSPAZTLRE-ZDUSSCGKSA-N 1 0 251.326 2.012 20 10 CECDRO Cc1ccc(O)c(C[N@H+](C)CC(=O)NCc2ccccc2)c1 ZINC000769467618 646272692 /nfs/dbraw/zinc/27/26/92/646272692.db2.gz YKQRGHIOPAIEDL-UHFFFAOYSA-N 1 0 298.386 2.449 20 10 CECDRO COCCC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862234635 646373253 /nfs/dbraw/zinc/37/32/53/646373253.db2.gz VMWGIEJHOFOFLW-UHFFFAOYSA-N 1 0 272.339 2.499 20 10 CECDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000770509291 646400670 /nfs/dbraw/zinc/40/06/70/646400670.db2.gz KQDAYKBBLKHMTQ-UHFFFAOYSA-N 1 0 290.407 2.471 20 10 CECDRO CN(C)c1cc(F)c(CN2CC[C@H]3C[N@H+](C)C[C@H]32)cc1F ZINC000862375082 646424400 /nfs/dbraw/zinc/42/44/00/646424400.db2.gz WTUYTEKADLLUKK-MEDUHNTESA-N 1 0 295.377 2.167 20 10 CECDRO C[C@@](CO)([NH2+]Cc1ccccc1O)c1cccc(O)c1 ZINC000862431068 646458412 /nfs/dbraw/zinc/45/84/12/646458412.db2.gz CZNWHUWBAUCORW-INIZCTEOSA-N 1 0 273.332 2.095 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC=C(C(=O)OC)C2)c1 ZINC000862464688 646468472 /nfs/dbraw/zinc/46/84/72/646468472.db2.gz GEUWQAZYSHCHET-CYBMUJFWSA-N 1 0 291.347 2.142 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CC=C(C(=O)OC)C2)c1O ZINC000862468604 646473535 /nfs/dbraw/zinc/47/35/35/646473535.db2.gz YYEWVGGSORRWGO-AWEZNQCLSA-N 1 0 275.348 2.306 20 10 CECDRO CCOc1ccc(C[NH2+][C@@]2(C)CCCOC2)c(O)c1 ZINC000771897817 646567274 /nfs/dbraw/zinc/56/72/74/646567274.db2.gz YOIQTZAKZPYTEM-HNNXBMFYSA-N 1 0 265.353 2.450 20 10 CECDRO CC[C@@H]1CC(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C1 ZINC000119154719 646595326 /nfs/dbraw/zinc/59/53/26/646595326.db2.gz RWBUYWAMGDBXMN-CQSZACIVSA-N 1 0 289.423 2.400 20 10 CECDRO CN(C)c1ccc(CN[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000863483204 646739392 /nfs/dbraw/zinc/73/93/92/646739392.db2.gz QZYDZUXIQPCSLN-OAHLLOKOSA-N 1 0 259.397 2.127 20 10 CECDRO CCOc1ccc(O)c(CN[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863484761 646739991 /nfs/dbraw/zinc/73/99/91/646739991.db2.gz LVAVVWFNKCRKCP-AAEUAGOBSA-N 1 0 264.369 2.021 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)CC(C)(C)O)cc1 ZINC000773750655 646772625 /nfs/dbraw/zinc/77/26/25/646772625.db2.gz DSHJCKOFPAUUFP-UHFFFAOYSA-N 1 0 250.386 2.345 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@H]2CO)cc1 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C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cc(F)ccc1O ZINC000775988534 647014776 /nfs/dbraw/zinc/01/47/76/647014776.db2.gz YRJYZZSSQILFQT-GHMZBOCLSA-N 1 0 252.333 2.056 20 10 CECDRO C[C@@H](NC(=O)NCCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776096645 647022174 /nfs/dbraw/zinc/02/21/74/647022174.db2.gz OMJNKTFRRGAAPS-CYBMUJFWSA-N 1 0 292.427 2.065 20 10 CECDRO C[C@H]1C[C@H]1NC(=[NH2+])NCc1cc(Br)ccc1O ZINC000864467960 647022470 /nfs/dbraw/zinc/02/24/70/647022470.db2.gz CTVOICJMDQRHMR-OIBJUYFYSA-N 1 0 298.184 2.177 20 10 CECDRO COc1ccc(O)c(C[NH2+]C(C)(C)c2cnn(C)c2)c1 ZINC000776177489 647032391 /nfs/dbraw/zinc/03/23/91/647032391.db2.gz PSSVYMFCCHMDOA-UHFFFAOYSA-N 1 0 275.352 2.159 20 10 CECDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776220340 647038218 /nfs/dbraw/zinc/03/82/18/647038218.db2.gz VTGZXYWWXGZJKT-AAEUAGOBSA-N 1 0 297.395 2.296 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cccc(F)n2)c1 ZINC000776252682 647042342 /nfs/dbraw/zinc/04/23/42/647042342.db2.gz VUZOWYKPBMUHLS-UHFFFAOYSA-N 1 0 262.284 2.225 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCn3ccnc3C2)cc1 ZINC000778189103 647207799 /nfs/dbraw/zinc/20/77/99/647207799.db2.gz NEASZYWTJNFZFM-AWEZNQCLSA-N 1 0 270.380 2.054 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2(CCO)CC2)cc1F ZINC000778215978 647211441 /nfs/dbraw/zinc/21/14/41/647211441.db2.gz HQTWOQKXFPPXKE-UHFFFAOYSA-N 1 0 266.360 2.144 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1 ZINC000779064236 647284422 /nfs/dbraw/zinc/28/44/22/647284422.db2.gz HPJYTHKFDUHKRK-NEPJUHHUSA-N 1 0 287.363 2.263 20 10 CECDRO Fc1cc(C[N@H+]2CC=CCC2)ccc1N1CCOCC1 ZINC000779164771 647294038 /nfs/dbraw/zinc/29/40/38/647294038.db2.gz ZNSPPNDQOWAJSS-UHFFFAOYSA-N 1 0 276.355 2.424 20 10 CECDRO CNC(=O)C1([NH2+]Cc2ccc(OC)c(C)c2)CCCC1 ZINC000779176363 647295064 /nfs/dbraw/zinc/29/50/64/647295064.db2.gz LPVITSOHXIQFAW-UHFFFAOYSA-N 1 0 276.380 2.152 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2C[C@@H](CO)C2)cc1 ZINC000865662804 647413082 /nfs/dbraw/zinc/41/30/82/647413082.db2.gz GGXYELFMFKVBFB-JQBDECOXSA-N 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BRVMZFBYTNFOSC-WPRPVWTQSA-N 1 0 275.295 2.068 20 10 CECDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868013450 648021586 /nfs/dbraw/zinc/02/15/86/648021586.db2.gz HMCNXQDQEZZNQF-OLZOCXBDSA-N 1 0 291.395 2.237 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CCCS2)c1O ZINC000122033149 648056644 /nfs/dbraw/zinc/05/66/44/648056644.db2.gz BPUZIQKLNWVPAB-NSHDSACASA-N 1 0 253.367 2.386 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)ccc2O)[C@@H]1C ZINC000787420923 648107668 /nfs/dbraw/zinc/10/76/68/648107668.db2.gz NEKGHHDINHGEJG-YPMHNXCESA-N 1 0 263.337 2.084 20 10 CECDRO CCn1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)c1=O ZINC000788523488 648198312 /nfs/dbraw/zinc/19/83/12/648198312.db2.gz DGIUBDKTRWEKQH-UHFFFAOYSA-N 1 0 285.391 2.224 20 10 CECDRO COC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@H]1CCCO1 ZINC000788534683 648199866 /nfs/dbraw/zinc/19/98/66/648199866.db2.gz IEMHULIANNNXDB-GDBMZVCRSA-N 1 0 279.380 2.293 20 10 CECDRO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000788585895 648204937 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ZINC000794388243 648861073 /nfs/dbraw/zinc/86/10/73/648861073.db2.gz SDWWQOLKSJORDL-NSHDSACASA-N 1 0 294.395 2.184 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870856135 648934948 /nfs/dbraw/zinc/93/49/48/648934948.db2.gz UCNQYVHFIMZBNZ-GASCZTMLSA-N 1 0 289.423 2.229 20 10 CECDRO C[C@H](C(=O)N1Cc2cccc(O)c2C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000871200769 649030073 /nfs/dbraw/zinc/03/00/73/649030073.db2.gz IPBRDOJBFMDAEM-JHJVBQTASA-N 1 0 288.391 2.496 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000872266526 649334662 /nfs/dbraw/zinc/33/46/62/649334662.db2.gz XAKZSQDHNFWTNK-SSGMOAHOSA-N 1 0 272.392 2.344 20 10 CECDRO CN(C)c1ccc(/C=C/CN(C)CC[NH+](C)C)cc1 ZINC000019635128 649454645 /nfs/dbraw/zinc/45/46/45/649454645.db2.gz VVEPAXKTRLFRQD-VOTSOKGWSA-N 1 0 261.413 2.259 20 10 CECDRO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000872784210 649489921 /nfs/dbraw/zinc/48/99/21/649489921.db2.gz IWZFLGKPAXUYNP-BETUJISGSA-N 1 0 291.391 2.474 20 10 CECDRO Cc1cc(C[N@@H+]2CCCNC(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000872825620 649496846 /nfs/dbraw/zinc/49/68/46/649496846.db2.gz MHDQYNYMMCMWQR-UHFFFAOYSA-N 1 0 290.407 2.320 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@H](C)S(C)(=O)=O)cc1C ZINC000873096302 649558345 /nfs/dbraw/zinc/55/83/45/649558345.db2.gz VXFGZMQBYAUAIP-CYBMUJFWSA-N 1 0 299.436 2.307 20 10 CECDRO COc1ccc(C[NH2+]CCC[C@@H]2CCOC2=O)cc1C ZINC000873163058 649575959 /nfs/dbraw/zinc/57/59/59/649575959.db2.gz RJWDGCKXBNTMLQ-CQSZACIVSA-N 1 0 277.364 2.437 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccc(OC)nc2)c1 ZINC000020186577 649735270 /nfs/dbraw/zinc/73/52/70/649735270.db2.gz AHYCMXDCUGVMLP-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO CCCNC(=O)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000879649769 651335321 /nfs/dbraw/zinc/33/53/21/651335321.db2.gz GREUXCDVQVEROO-LBPRGKRZSA-N 1 0 264.369 2.349 20 10 CECDRO COC(=O)C1=C(C)O[C@@H](C[NH2+][C@H](C)c2ccccc2O)C1 ZINC000879649015 651335327 /nfs/dbraw/zinc/33/53/27/651335327.db2.gz HLROBAHRULPZJD-ZYHUDNBSSA-N 1 0 291.347 2.279 20 10 CECDRO C[C@H]1CN(Cc2c(O)cccc2Cl)CC[C@@H]1[NH3+] ZINC000128350805 651423305 /nfs/dbraw/zinc/42/33/05/651423305.db2.gz CGBVNTLKENAFBZ-CABZTGNLSA-N 1 0 254.761 2.215 20 10 CECDRO COc1cccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1O ZINC000130008469 652202917 /nfs/dbraw/zinc/20/29/17/652202917.db2.gz HMWWVZCWHQNRGI-LBPRGKRZSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@H](CO)Cc2ccoc2)c1 ZINC000883269349 652419248 /nfs/dbraw/zinc/41/92/48/652419248.db2.gz HXDRRNYTEIZOOK-CQSZACIVSA-N 1 0 275.348 2.234 20 10 CECDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000884180409 652743878 /nfs/dbraw/zinc/74/38/78/652743878.db2.gz XYNSOIAUZRZNKG-HNNXBMFYSA-N 1 0 291.439 2.378 20 10 CECDRO C[C@H]([NH2+]CC(=O)N1CCCCC1)c1ccccc1O ZINC000135719584 652980204 /nfs/dbraw/zinc/98/02/04/652980204.db2.gz ZSBSSNKSRMUHLQ-LBPRGKRZSA-N 1 0 262.353 2.055 20 10 CECDRO CC(C)CNC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000135812057 652993342 /nfs/dbraw/zinc/99/33/42/652993342.db2.gz VFFHRZPPWAWOHM-ZDUSSCGKSA-N 1 0 277.412 2.175 20 10 CECDRO Cc1ccc(C)n1-c1ccc(CN(C)CC[NH3+])cc1 ZINC001204699967 806372397 /nfs/dbraw/zinc/37/23/97/806372397.db2.gz VHXPWXWHQKJEJE-UHFFFAOYSA-N 1 0 257.381 2.485 20 10 CECDRO C[NH2+]C1CN(Cc2cccc(-c3ccccc3)c2O)C1 ZINC001204714864 806757473 /nfs/dbraw/zinc/75/74/73/806757473.db2.gz ZQNAVDPUXWUAGC-UHFFFAOYSA-N 1 0 268.360 2.463 20 10 CECDRO CC(=O)N1CC[C@@H]([N@@H+](Cc2cc(F)ccc2O)C(C)C)C1 ZINC001140059960 802552236 /nfs/dbraw/zinc/55/22/36/802552236.db2.gz CUIMJFWXTXGHGB-OAHLLOKOSA-N 1 0 294.370 2.363 20 10 CECDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(Cl)cc1O ZINC001209873681 802584314 /nfs/dbraw/zinc/58/43/14/802584314.db2.gz FCRNBDDZMDGZHT-AOOOYVTPSA-N 1 0 254.761 2.228 20 10 CECDRO C[C@@]1([NH3+])CCN(Cc2c(O)cccc2Br)C1 ZINC000706867025 802847212 /nfs/dbraw/zinc/84/72/12/802847212.db2.gz LQYUESCEZLLGAK-GFCCVEGCSA-N 1 0 285.185 2.078 20 10 CECDRO CCN1CC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000712594702 814754730 /nfs/dbraw/zinc/75/47/30/814754730.db2.gz ODLPVNLGMPGTCK-SNVBAGLBSA-N 1 0 254.761 2.229 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@](C)(O)CC2)c1O ZINC001140742696 803513197 /nfs/dbraw/zinc/51/31/97/803513197.db2.gz VRKHJMXLSLNISY-HNNXBMFYSA-N 1 0 265.353 2.143 20 10 CECDRO COC[C@@H](CC[NH2+][C@H](C)c1ccccc1O)OC ZINC000694239159 803522275 /nfs/dbraw/zinc/52/22/75/803522275.db2.gz XPANRNQTVGDLIS-VXGBXAGGSA-N 1 0 253.342 2.094 20 10 CECDRO CC[C@H]([NH2+]CC[C@@H](COC)OC)c1ccccc1O ZINC000694313410 803530111 /nfs/dbraw/zinc/53/01/11/803530111.db2.gz UYEHGLVEJVXINH-JSGCOSHPSA-N 1 0 267.369 2.484 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)C1CCC1 ZINC000316674864 803713046 /nfs/dbraw/zinc/71/30/46/803713046.db2.gz YKSRNCKHDAGFHT-CYBMUJFWSA-N 1 0 255.745 2.296 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@@]23CCOC3)ccc1N(C)C ZINC001117990517 814973330 /nfs/dbraw/zinc/97/33/30/814973330.db2.gz YVDFXPMPOVVLAJ-INIZCTEOSA-N 1 0 260.381 2.426 20 10 CECDRO CCOc1cccc(C[NH2+]CC2=CCOCC2)c1O ZINC000397756855 804328876 /nfs/dbraw/zinc/32/88/76/804328876.db2.gz OPJJHUMFTTWERA-UHFFFAOYSA-N 1 0 263.337 2.227 20 10 CECDRO Cc1cccc(C[NH+]2CCC(N3CC(F)C3)CC2)c1O ZINC001231594191 807177938 /nfs/dbraw/zinc/17/79/38/807177938.db2.gz VWPAKSVXCUTLCO-UHFFFAOYSA-N 1 0 278.371 2.319 20 10 CECDRO COc1cc(N(C)C)ccc1CN(C)C1CC[NH+](C)CC1 ZINC001231849327 807194114 /nfs/dbraw/zinc/19/41/14/807194114.db2.gz RGTFRBRVANUHOX-UHFFFAOYSA-N 1 0 291.439 2.287 20 10 CECDRO CC(C)C[N@H+](C)CCCNC(=O)NCc1ccc(N)cc1 ZINC001120632607 807270157 /nfs/dbraw/zinc/27/01/57/807270157.db2.gz DCDMEOYQKGSKGX-UHFFFAOYSA-N 1 0 292.427 2.046 20 10 CECDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000699460945 807712581 /nfs/dbraw/zinc/71/25/81/807712581.db2.gz CMTQYQZNNBSGCB-SWLSCSKDSA-N 1 0 260.381 2.194 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC[C@H]1CNC(=O)C1 ZINC001119640110 815143290 /nfs/dbraw/zinc/14/32/90/815143290.db2.gz NFHCIRPMDAAMKC-UPJWGTAASA-N 1 0 288.391 2.365 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@@H](O)C(F)F ZINC000716745091 815145013 /nfs/dbraw/zinc/14/50/13/815145013.db2.gz IROFUCQLKQBEFJ-SNVBAGLBSA-N 1 0 265.687 2.151 20 10 CECDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1c(O)cccc1Br)C2 ZINC001235998746 807917355 /nfs/dbraw/zinc/91/73/55/807917355.db2.gz ZICVQWMUSHNBHM-NOZJJQNGSA-N 1 0 297.196 2.078 20 10 CECDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)[nH]1 ZINC001120263822 815209499 /nfs/dbraw/zinc/20/94/99/815209499.db2.gz WIIUEIKFPBKYEO-ZDUSSCGKSA-N 1 0 271.368 2.075 20 10 CECDRO COC(=O)[C@@](C)(C[NH2+]Cc1ccc(N)cc1)c1ccccc1 ZINC001120269430 815209704 /nfs/dbraw/zinc/20/97/04/815209704.db2.gz SIOPFYYUUVLIEA-SFHVURJKSA-N 1 0 298.386 2.489 20 10 CECDRO Nc1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2)cc1 ZINC001120371793 815217278 /nfs/dbraw/zinc/21/72/78/815217278.db2.gz QUUIFBKUQNXXKP-KRWDZBQOSA-N 1 0 267.376 2.415 20 10 CECDRO CCOC(=O)CC[N@H+](Cc1ccc(N)cc1)C1CC1 ZINC001120370605 815217909 /nfs/dbraw/zinc/21/79/09/815217909.db2.gz BXRAIWCKMXQXID-UHFFFAOYSA-N 1 0 262.353 2.186 20 10 CECDRO Oc1ccccc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001203558350 808728309 /nfs/dbraw/zinc/72/83/09/808728309.db2.gz HPTIOFJGGOPIHO-CYBMUJFWSA-N 1 0 269.291 2.392 20 10 CECDRO Oc1ccc(C[NH2+][C@@H]2Cc3cccc(F)c3C2)cc1O ZINC001171780579 815234215 /nfs/dbraw/zinc/23/42/15/815234215.db2.gz NCDFPNOBVUNXIZ-GFCCVEGCSA-N 1 0 273.307 2.494 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCN(C2CC2)C(=O)C1)c1ccccc1O ZINC001172003190 815261432 /nfs/dbraw/zinc/26/14/32/815261432.db2.gz SQVVFLJUQZVSDN-NEPJUHHUSA-N 1 0 274.364 2.196 20 10 CECDRO CCN1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)CC1=O ZINC001172033205 815274121 /nfs/dbraw/zinc/27/41/21/815274121.db2.gz XGWIQDFODNMTQQ-CYBMUJFWSA-N 1 0 276.380 2.110 20 10 CECDRO C[C@H](Nc1nccnc1C[NH3+])c1ccc(N(C)C)cc1 ZINC001120919259 815296175 /nfs/dbraw/zinc/29/61/75/815296175.db2.gz QGRDHRDYFPEVON-NSHDSACASA-N 1 0 271.368 2.174 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206157181 815299141 /nfs/dbraw/zinc/29/91/41/815299141.db2.gz XATYWGWDJQKBJK-QWHCGFSZSA-N 1 0 282.359 2.052 20 10 CECDRO C[C@@H]1COCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703518015 809653947 /nfs/dbraw/zinc/65/39/47/809653947.db2.gz OIERIRVEXLUALV-SECBINFHSA-N 1 0 257.280 2.281 20 10 CECDRO C[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H](C)[N@H+]1C ZINC000703518818 809653984 /nfs/dbraw/zinc/65/39/84/809653984.db2.gz SIUARLPXXXWDSE-AOOOYVTPSA-N 1 0 270.323 2.195 20 10 CECDRO C[C@H]1COCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703558471 809662824 /nfs/dbraw/zinc/66/28/24/809662824.db2.gz YKBUIRYCSDTGDV-SECBINFHSA-N 1 0 257.280 2.139 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCCN2C(C)=O)cc1C ZINC001034834157 809703458 /nfs/dbraw/zinc/70/34/58/809703458.db2.gz HSOUCFARZCLWDL-OAHLLOKOSA-N 1 0 276.380 2.104 20 10 CECDRO Cn1cncc1C[NH2+]Cc1c(O)cccc1Br ZINC000706842081 809861026 /nfs/dbraw/zinc/86/10/26/809861026.db2.gz KAFIUGPZJIJVCM-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO OC[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000707639537 809916540 /nfs/dbraw/zinc/91/65/40/809916540.db2.gz JUQOPXLZBQUTPO-DTORHVGOSA-N 1 0 286.169 2.015 20 10 CECDRO C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1[O-])[NH+](C)C ZINC000708514884 809944683 /nfs/dbraw/zinc/94/46/83/809944683.db2.gz MTBGHKZOJSMKRV-SECBINFHSA-N 1 0 258.312 2.100 20 10 CECDRO COC[C@H](CC[NH2+][C@H](C)c1cc(F)ccc1O)OC ZINC000710667688 810002892 /nfs/dbraw/zinc/00/28/92/810002892.db2.gz IGGUZHYUNHPWFQ-PWSUYJOCSA-N 1 0 271.332 2.233 20 10 CECDRO CC(C)C[C@@H]([NH3+])CC(=O)N(C)Cc1ccccc1O ZINC001121847690 815360343 /nfs/dbraw/zinc/36/03/43/815360343.db2.gz CHTINPRKWPPUKI-CYBMUJFWSA-N 1 0 264.369 2.114 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCON ZINC001120255694 810616691 /nfs/dbraw/zinc/61/66/91/810616691.db2.gz LXQVHAAPRGTCTF-MNOVXSKESA-N 1 0 250.342 2.119 20 10 CECDRO CC[C@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000378764369 810672386 /nfs/dbraw/zinc/67/23/86/810672386.db2.gz XOBJCUGMIOQHCB-KRWDZBQOSA-N 1 0 290.407 2.182 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CCc1cn[nH]c1 ZINC000379586648 811099775 /nfs/dbraw/zinc/09/97/75/811099775.db2.gz KCIPIBFZPVWLBD-UHFFFAOYSA-N 1 0 251.717 2.101 20 10 CECDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001168974907 811322959 /nfs/dbraw/zinc/32/29/59/811322959.db2.gz STJZIADQUVVCRA-OCCSQVGLSA-N 1 0 276.336 2.157 20 10 CECDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H]1CCN(C(C)=O)C1 ZINC001169563645 811569396 /nfs/dbraw/zinc/56/93/96/811569396.db2.gz RJTMEUSKEQAXQI-KRWDZBQOSA-N 1 0 289.423 2.195 20 10 CECDRO CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC001169580916 811588819 /nfs/dbraw/zinc/58/88/19/811588819.db2.gz ZZWPPQWLTCLDSK-AAEUAGOBSA-N 1 0 262.353 2.054 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)CC[NH+](C)C)c1O ZINC000691484846 811952139 /nfs/dbraw/zinc/95/21/39/811952139.db2.gz WSPBMHUERGCMJG-LBPRGKRZSA-N 1 0 250.386 2.384 20 10 CECDRO CC[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)CCO1 ZINC001170180837 812327131 /nfs/dbraw/zinc/32/71/31/812327131.db2.gz CLGSLLDRQPMOGT-RYUDHWBXSA-N 1 0 251.326 2.145 20 10 CECDRO CC1(C)[C@@H]2C[C@H]([NH2+]C[C@@H](O)c3ccc(O)c(O)c3)C[C@@H]21 ZINC001170712667 813179331 /nfs/dbraw/zinc/17/93/31/813179331.db2.gz LUQGCHLDQDZDHC-NWJSVONSSA-N 1 0 277.364 2.155 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1 ZINC000387940227 813225261 /nfs/dbraw/zinc/22/52/61/813225261.db2.gz ILAGWDGJSJTDSP-GJZGRUSLSA-N 1 0 262.397 2.393 20 10 CECDRO FCCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000389168085 813248316 /nfs/dbraw/zinc/24/83/16/813248316.db2.gz ZYAYLUVAMPKWPT-UHFFFAOYSA-N 1 0 266.360 2.363 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CCOC)COC)c1ccccc1O ZINC000394096663 813336265 /nfs/dbraw/zinc/33/62/65/813336265.db2.gz RDWSQKCMTLFDNI-GXTWGEPZSA-N 1 0 267.369 2.484 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCC2(CO)CC2)c1O ZINC000395870316 813547234 /nfs/dbraw/zinc/54/72/34/813547234.db2.gz ZZNWXVYUJLWXFH-UHFFFAOYSA-N 1 0 285.771 2.306 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000399192481 813702457 /nfs/dbraw/zinc/70/24/57/813702457.db2.gz QPBJJJGNFGALDJ-INIZCTEOSA-N 1 0 289.423 2.229 20 10 CECDRO Oc1cc(O)c(C[NH+]2CC3CCC(CC3)C2)c(O)c1 ZINC001144515636 814100585 /nfs/dbraw/zinc/10/05/85/814100585.db2.gz TZRDNABWSYTYQE-UHFFFAOYSA-N 1 0 263.337 2.425 20 10 CECDRO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139673200 814635495 /nfs/dbraw/zinc/63/54/95/814635495.db2.gz CGTRHMHJHYRKCC-MRXNPFEDSA-N 1 0 289.423 2.114 20 10 CECDRO CCC[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116439727 814853740 /nfs/dbraw/zinc/85/37/40/814853740.db2.gz PNZXCFOTDNPWAG-UHFFFAOYSA-N 1 0 279.403 2.419 20 10 CECDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC001116771994 814882066 /nfs/dbraw/zinc/88/20/66/814882066.db2.gz XUXCIMFTQQNLNM-GJZGRUSLSA-N 1 0 276.380 2.184 20 10 CECDRO Cc1cc(C[NH2+]CCC(N)=O)c(C)n1-c1ccccc1 ZINC000036746789 814905496 /nfs/dbraw/zinc/90/54/96/814905496.db2.gz VAIUUBQHADVDJP-UHFFFAOYSA-N 1 0 271.364 2.059 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc[nH]c2=O)c1 ZINC000714983875 814920333 /nfs/dbraw/zinc/92/03/33/814920333.db2.gz GGGXARIGSSFMRG-SNVBAGLBSA-N 1 0 274.320 2.352 20 10 CECDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(N)nc1 ZINC001138169743 815743114 /nfs/dbraw/zinc/74/31/14/815743114.db2.gz UOILARXMBDYQIC-UHFFFAOYSA-N 1 0 285.395 2.147 20 10 CECDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001173635466 815773484 /nfs/dbraw/zinc/77/34/84/815773484.db2.gz DLYRWUXEPRRFGE-DGCLKSJQSA-N 1 0 293.363 2.309 20 10 CECDRO CCOC(=O)C[C@H]1CC[C@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001173636919 815775225 /nfs/dbraw/zinc/77/52/25/815775225.db2.gz PSGAUEIGUVCDQE-AAEUAGOBSA-N 1 0 293.363 2.309 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c(OC)c1 ZINC001138386545 815786356 /nfs/dbraw/zinc/78/63/56/815786356.db2.gz QNJBZQUGQDCYIP-QGZVFWFLSA-N 1 0 292.423 2.498 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)[C@@H]1C ZINC001140055092 816178621 /nfs/dbraw/zinc/17/86/21/816178621.db2.gz HYBNBMIRQXCDTF-MFKMUULPSA-N 1 0 281.327 2.305 20 10 CECDRO CCC(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140060020 816181017 /nfs/dbraw/zinc/18/10/17/816181017.db2.gz GZSZDLHDLIROST-UHFFFAOYSA-N 1 0 294.370 2.364 20 10 CECDRO COC(=O)CC[N@H+](C)Cc1c(C)ccc(C)c1O ZINC001140184108 816205213 /nfs/dbraw/zinc/20/52/13/816205213.db2.gz NDKBSERUKDPNQW-UHFFFAOYSA-N 1 0 251.326 2.004 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)c1O ZINC001140181182 816205457 /nfs/dbraw/zinc/20/54/57/816205457.db2.gz PFPGBGIDSHAROP-KRWDZBQOSA-N 1 0 288.391 2.111 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140184906 816206928 /nfs/dbraw/zinc/20/69/28/816206928.db2.gz KNXNFQLSGAFODS-MRXNPFEDSA-N 1 0 277.364 2.394 20 10 CECDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140185140 816207862 /nfs/dbraw/zinc/20/78/62/816207862.db2.gz PSWYDHSGWJOSRR-CQSZACIVSA-N 1 0 290.407 2.500 20 10 CECDRO C[C@H]1CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140282909 816226202 /nfs/dbraw/zinc/22/62/02/816226202.db2.gz KGXJYFSOMNHLDD-ZDUSSCGKSA-N 1 0 260.381 2.242 20 10 CECDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@]12CCOC2 ZINC001140464087 816260385 /nfs/dbraw/zinc/26/03/85/816260385.db2.gz BHYPUBTYGVXAMI-CYBMUJFWSA-N 1 0 253.729 2.410 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c1 ZINC001140624149 816306465 /nfs/dbraw/zinc/30/64/65/816306465.db2.gz IFXJOBSLLFDVAS-OAHLLOKOSA-N 1 0 299.374 2.452 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC3(CCC(=O)N3C)CC2)c1 ZINC001140624499 816307812 /nfs/dbraw/zinc/30/78/12/816307812.db2.gz YNPAFVJPVUDODL-UHFFFAOYSA-N 1 0 288.391 2.287 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CC(c3cccnc3)C2)c1O ZINC001140747406 816340635 /nfs/dbraw/zinc/34/06/35/816340635.db2.gz BVYDFMLQTTZEIH-UHFFFAOYSA-N 1 0 270.332 2.401 20 10 CECDRO CCN1CCC([N@H+](C)Cc2ccc(O)c(C)c2O)CC1 ZINC001140745549 816341080 /nfs/dbraw/zinc/34/10/80/816341080.db2.gz KKNNEUAIAFZXMB-UHFFFAOYSA-N 1 0 278.396 2.322 20 10 CECDRO Cc1c(O)ccc(CN2CC[NH+](C(C)(C)C)CC2)c1O ZINC001140749261 816343365 /nfs/dbraw/zinc/34/33/65/816343365.db2.gz URAPZPSTGRSDMT-UHFFFAOYSA-N 1 0 278.396 2.322 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CCC3(CCO3)CC2)c1O ZINC001140749226 816343895 /nfs/dbraw/zinc/34/38/95/816343895.db2.gz SCSQTQNCFSGQEH-UHFFFAOYSA-N 1 0 263.337 2.161 20 10 CECDRO Cc1noc([C@@H]2CCCN2Cc2ccc(O)c(C)c2O)n1 ZINC001140749193 816343898 /nfs/dbraw/zinc/34/38/98/816343898.db2.gz QYIIDDGNCRRLLN-LBPRGKRZSA-N 1 0 289.335 2.435 20 10 CECDRO CCN(CC)c1ccc(C[NH+]2CC3(COC3)C2)c(O)c1 ZINC001140850106 816383354 /nfs/dbraw/zinc/38/33/54/816383354.db2.gz DPWBFWWYIKMBOR-UHFFFAOYSA-N 1 0 276.380 2.071 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CO)C2)c(O)c1 ZINC001140855150 816383877 /nfs/dbraw/zinc/38/38/77/816383877.db2.gz OZTICNANJIUYMY-ZDUSSCGKSA-N 1 0 278.396 2.053 20 10 CECDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(C)cc1O ZINC001140955433 816424151 /nfs/dbraw/zinc/42/41/51/816424151.db2.gz WXDALYJWLGKFDQ-OSAQELSMSA-N 1 0 275.348 2.227 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(C)=O)C2)c(OC)c1 ZINC001141029584 816450410 /nfs/dbraw/zinc/45/04/10/816450410.db2.gz WQNHZOTXQXNEII-LBPRGKRZSA-N 1 0 293.363 2.210 20 10 CECDRO CCO[C@@H]1CC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141031245 816451399 /nfs/dbraw/zinc/45/13/99/816451399.db2.gz ZZWOQNPUNLBWJA-LLVKDONJSA-N 1 0 281.352 2.020 20 10 CECDRO C[NH+]1CCN(c2ccc(Nc3ccc(N)cc3)cn2)CC1 ZINC001176660223 816461099 /nfs/dbraw/zinc/46/10/99/816461099.db2.gz LSQQXOPJTLDIJW-UHFFFAOYSA-N 1 0 283.379 2.159 20 10 CECDRO OC1CC2(C1)C[NH+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141074190 816469489 /nfs/dbraw/zinc/46/94/89/816469489.db2.gz ADZUBRFZOKXPLH-UHFFFAOYSA-N 1 0 298.430 2.342 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CC[C@]4(CCOC4)C3)ccc21 ZINC001141139784 816484433 /nfs/dbraw/zinc/48/44/33/816484433.db2.gz BJRMCIREUDXOHP-KRWDZBQOSA-N 1 0 288.391 2.128 20 10 CECDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc2c(c1)OCCN2C ZINC001141142660 816485719 /nfs/dbraw/zinc/48/57/19/816485719.db2.gz VZZXDFIRXRGGCM-UONOGXRCSA-N 1 0 289.423 2.040 20 10 CECDRO CN1CCOc2cc(C[NH+]3CC4CC(C4)C3)ccc21 ZINC001141145060 816486040 /nfs/dbraw/zinc/48/60/40/816486040.db2.gz OPRFURZQMKOLMR-UHFFFAOYSA-N 1 0 258.365 2.357 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC001141155785 816489337 /nfs/dbraw/zinc/48/93/37/816489337.db2.gz JREOZJFFPZWTOR-ABAIWWIYSA-N 1 0 263.337 2.099 20 10 CECDRO CC[N@H+](Cc1cn2c(n1)COCC2)Cc1ccccc1O ZINC001141537506 816556678 /nfs/dbraw/zinc/55/66/78/816556678.db2.gz XPAHQAZKWCBJKM-UHFFFAOYSA-N 1 0 287.363 2.141 20 10 CECDRO CN(C)c1ccc(C[NH2+]C2(CO)CCSCC2)cc1 ZINC000839177878 816567224 /nfs/dbraw/zinc/56/72/24/816567224.db2.gz SUYWUFNEEQWPAN-UHFFFAOYSA-N 1 0 280.437 2.100 20 10 CECDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112032 816788062 /nfs/dbraw/zinc/78/80/62/816788062.db2.gz IZQFAEFJHDUDQA-CQSZACIVSA-N 1 0 290.407 2.400 20 10 CECDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123824723 365642052 /nfs/dbraw/zinc/64/20/52/365642052.db2.gz DEMNDPXRTMELBA-PBHICJAKSA-N 1 0 292.423 2.191 20 10 CECDRO C[C@](O)(C[NH2+]Cc1ccccc1O)c1ccsc1 ZINC000077460790 343920896 /nfs/dbraw/zinc/92/08/96/343920896.db2.gz USSVOQQICZTOMM-AWEZNQCLSA-N 1 0 263.362 2.451 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1O ZINC000093482923 344225695 /nfs/dbraw/zinc/22/56/95/344225695.db2.gz NTZMHZATWDNPCR-WCQYABFASA-N 1 0 265.353 2.136 20 10 CECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(N)cc2)[C@H](C)C1 ZINC000178813958 344504152 /nfs/dbraw/zinc/50/41/52/344504152.db2.gz PRKORDDKENWPCD-CJNGLKHVSA-N 1 0 289.423 2.000 20 10 CECDRO Cc1cccc(C[NH2+]CC2(O)Cc3ccccc3C2)c1O ZINC000362044256 344809231 /nfs/dbraw/zinc/80/92/31/344809231.db2.gz YWRDGEJHYCFIOX-UHFFFAOYSA-N 1 0 283.371 2.320 20 10 CECDRO C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000007354335 538774784 /nfs/dbraw/zinc/77/47/84/538774784.db2.gz SHEFDQSGJSGPIE-AWEZNQCLSA-N 1 0 289.423 2.243 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)Cn2ccnc2)cc1C ZINC000035275342 538766357 /nfs/dbraw/zinc/76/63/57/538766357.db2.gz FOPXPUCQYRXFDR-ZDUSSCGKSA-N 1 0 259.353 2.378 20 10 CECDRO CCCC[C@H](NCc1cc(OC)ccc1O)C(=O)OC ZINC000154619357 366782125 /nfs/dbraw/zinc/78/21/25/366782125.db2.gz YGJVCTVTTIFGNQ-ZDUSSCGKSA-N 1 0 281.352 2.222 20 10 CECDRO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2O)c[nH]1 ZINC000091974552 364072497 /nfs/dbraw/zinc/07/24/97/364072497.db2.gz BPIYKRMSALWWKR-UHFFFAOYSA-N 1 0 274.320 2.139 20 10 CECDRO C[N@H+](Cc1ccccc1O)Cc1cc2c(cc1O)OCO2 ZINC000091974622 364073052 /nfs/dbraw/zinc/07/30/52/364073052.db2.gz LYENHTNXHMXSFD-UHFFFAOYSA-N 1 0 287.315 2.459 20 10 CECDRO CC(=O)N(C)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000092538780 364079689 /nfs/dbraw/zinc/07/96/89/364079689.db2.gz CSDJXPNYLUCTJC-UHFFFAOYSA-N 1 0 276.380 2.143 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@]2(C)CCOC2)c1O ZINC000169092839 367364192 /nfs/dbraw/zinc/36/41/92/367364192.db2.gz MTTFCPHAPMVNGL-ZDUSSCGKSA-N 1 0 271.744 2.323 20 10 CECDRO Cc1cc(NC(=O)CC[N@@H+](C)Cc2ccccc2O)no1 ZINC000171925738 367640297 /nfs/dbraw/zinc/64/02/97/367640297.db2.gz ATZPOUNJVICOBO-UHFFFAOYSA-N 1 0 289.335 2.149 20 10 CECDRO C[C@@]1(O)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000180183263 368371373 /nfs/dbraw/zinc/37/13/73/368371373.db2.gz CXUNEILEADBXNA-GFCCVEGCSA-N 1 0 286.169 2.111 20 10 CECDRO COC[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180198847 368371765 /nfs/dbraw/zinc/37/17/65/368371765.db2.gz SCYIPJXREOGVIC-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CC(=O)OC)c1 ZINC000179895467 368357347 /nfs/dbraw/zinc/35/73/47/368357347.db2.gz LOLMQXYCROKZRG-CYBMUJFWSA-N 1 0 293.363 2.318 20 10 CECDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000181270416 368439083 /nfs/dbraw/zinc/43/90/83/368439083.db2.gz YFTRVFXAQXNITG-SNVBAGLBSA-N 1 0 268.332 2.097 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)ccc1OC ZINC000189328180 369498652 /nfs/dbraw/zinc/49/86/52/369498652.db2.gz NCCGSAJJAKZNGH-JKSUJKDBSA-N 1 0 293.407 2.481 20 10 CECDRO COc1ccc(N2CCCN(CC[NH2+]C(C)C)CC2)cc1 ZINC000193426468 369941346 /nfs/dbraw/zinc/94/13/46/369941346.db2.gz WAOXMSSWGFXXFR-UHFFFAOYSA-N 1 0 291.439 2.205 20 10 CECDRO CCN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccc(OC)cc1 ZINC000637909908 370165800 /nfs/dbraw/zinc/16/58/00/370165800.db2.gz VYIYOHZKLZXCSF-GFCCVEGCSA-N 1 0 260.337 2.096 20 10 CECDRO CN(C)C1(C[NH2+]Cc2cc(F)ccc2O)CCCC1 ZINC000226582976 370347137 /nfs/dbraw/zinc/34/71/37/370347137.db2.gz PHUIJBISFQVCPF-UHFFFAOYSA-N 1 0 266.360 2.495 20 10 CECDRO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(C)ccc1O ZINC000248876500 371261601 /nfs/dbraw/zinc/26/16/01/371261601.db2.gz WCHMKTPZKPUJMS-NOLJZWGESA-N 1 0 289.375 2.474 20 10 CECDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268893807 372276889 /nfs/dbraw/zinc/27/68/89/372276889.db2.gz OOGGHFAPMSDMHX-PBHICJAKSA-N 1 0 292.423 2.335 20 10 CECDRO CC[C@@H](C(=O)NCc1ccccc1O)[NH+](CC)CC ZINC000269157869 372361312 /nfs/dbraw/zinc/36/13/12/372361312.db2.gz SSTQFDNNYSMMHV-ZDUSSCGKSA-N 1 0 264.369 2.129 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1 ZINC000270441224 372793455 /nfs/dbraw/zinc/79/34/55/372793455.db2.gz AGDAMFJROWMBNM-GFCCVEGCSA-N 1 0 293.285 2.194 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000366449955 373052300 /nfs/dbraw/zinc/05/23/00/373052300.db2.gz FZAVJLWYZCDTCS-PBHICJAKSA-N 1 0 291.391 2.471 20 10 CECDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC000271160626 373151871 /nfs/dbraw/zinc/15/18/71/373151871.db2.gz DBAYGBRXJCBZLA-AWEZNQCLSA-N 1 0 289.375 2.476 20 10 CECDRO COC(=O)CC[N@H+](Cc1cc(OC)ccc1O)C(C)C ZINC000271880260 373207224 /nfs/dbraw/zinc/20/72/24/373207224.db2.gz UWLRBMSGZNJBTF-UHFFFAOYSA-N 1 0 281.352 2.174 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000368612363 373250998 /nfs/dbraw/zinc/25/09/98/373250998.db2.gz GYGICJPFLBFYSP-CNDDSTCGSA-N 1 0 253.729 2.028 20 10 CECDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC000272253532 373389127 /nfs/dbraw/zinc/38/91/27/373389127.db2.gz IRWFJPVPEHNUMP-ZDUSSCGKSA-N 1 0 293.338 2.306 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000273069848 373744359 /nfs/dbraw/zinc/74/43/59/373744359.db2.gz GWJINWCYBFBCAB-MRXNPFEDSA-N 1 0 271.360 2.476 20 10 CECDRO C[C@@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCO[C@H]1C1CC1 ZINC000273133952 373746485 /nfs/dbraw/zinc/74/64/85/373746485.db2.gz NCZGNVASYIBBNV-JKSUJKDBSA-N 1 0 291.347 2.168 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCOCC2)c(O)c1C ZINC000273431172 373758436 /nfs/dbraw/zinc/75/84/36/373758436.db2.gz VSPOLYJWTXYKER-HNNXBMFYSA-N 1 0 292.423 2.382 20 10 CECDRO COC[C@@H](CCO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273591843 373767258 /nfs/dbraw/zinc/76/72/58/373767258.db2.gz PHWHMQNXXGPYBX-IUODEOHRSA-N 1 0 293.407 2.319 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c1 ZINC000371412438 373872704 /nfs/dbraw/zinc/87/27/04/373872704.db2.gz GTHMWTQISWVFBJ-SNPRPXQTSA-N 1 0 288.391 2.319 20 10 CECDRO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccccc1O ZINC000281125099 375357554 /nfs/dbraw/zinc/35/75/54/375357554.db2.gz SOPYOABRXSYZAR-BBATYDOGSA-N 1 0 267.394 2.344 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2([S@@](C)=O)CC2)cc1C ZINC000282344925 375462333 /nfs/dbraw/zinc/46/23/33/375462333.db2.gz MLARUGWDJCKZSK-GOSISDBHSA-N 1 0 267.394 2.010 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c(O)c1 ZINC000284142256 375817006 /nfs/dbraw/zinc/81/70/06/375817006.db2.gz OUXQRIKYEVZOCE-QWHCGFSZSA-N 1 0 276.380 2.280 20 10 CECDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000284951968 375833419 /nfs/dbraw/zinc/83/34/19/375833419.db2.gz HQVLUZOPBYYPDP-CQSZACIVSA-N 1 0 294.370 2.412 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000285089190 375836333 /nfs/dbraw/zinc/83/63/33/375836333.db2.gz JXEMMPSXEVCGNX-GFCCVEGCSA-N 1 0 278.396 2.432 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1O ZINC000286496824 375972119 /nfs/dbraw/zinc/97/21/19/375972119.db2.gz MEUMOQVRONXVNG-ZIAGYGMSSA-N 1 0 281.327 2.079 20 10 CECDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccccc1O ZINC000289752872 376483299 /nfs/dbraw/zinc/48/32/99/376483299.db2.gz QRQGVONXDJKCSF-XNHWPECASA-N 1 0 259.349 2.247 20 10 CECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000293651306 377678422 /nfs/dbraw/zinc/67/84/22/377678422.db2.gz LHVCMJMHDKWDNB-NWDGAFQWSA-N 1 0 294.395 2.027 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)CC(C)(C)CO)cc1C ZINC000294785758 378019552 /nfs/dbraw/zinc/01/95/52/378019552.db2.gz LOWXRFCSZJTVKH-UHFFFAOYSA-N 1 0 251.370 2.459 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)[C@@H](O)C(F)F ZINC000294989574 378034440 /nfs/dbraw/zinc/03/44/40/378034440.db2.gz HIMCAUZCVNQYBX-CMPLNLGQSA-N 1 0 259.296 2.195 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)CCCCO)c1O ZINC000295038221 378036029 /nfs/dbraw/zinc/03/60/29/378036029.db2.gz MKIBFHWQTHRSRI-LBPRGKRZSA-N 1 0 267.369 2.432 20 10 CECDRO COC[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000295308962 378098002 /nfs/dbraw/zinc/09/80/02/378098002.db2.gz KLPOJLKWQCWFGZ-JTQLQIEISA-N 1 0 289.734 2.032 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H](C)O1 ZINC000296476815 378544247 /nfs/dbraw/zinc/54/42/47/378544247.db2.gz PTWWVQHUXKNQIE-JKIFEVAISA-N 1 0 290.407 2.179 20 10 CECDRO COC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H]1CCCO1 ZINC000296591185 378584480 /nfs/dbraw/zinc/58/44/80/378584480.db2.gz WVTQBFHEPPNXDO-KCQAQPDRSA-N 1 0 277.364 2.163 20 10 CECDRO Cc1cc(C[NH2+][C@@](C)(C(N)=O)C(C)C)ccc1N(C)C ZINC000297829225 378689772 /nfs/dbraw/zinc/68/97/72/378689772.db2.gz ZOHLAZKKXRQNNQ-MRXNPFEDSA-N 1 0 277.412 2.051 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H](C)CCO)CC2)cc1 ZINC000305113913 379644386 /nfs/dbraw/zinc/64/43/86/379644386.db2.gz HDOOJCBECIGXLP-ZDUSSCGKSA-N 1 0 278.396 2.025 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCOCC2)c(O)c1 ZINC000036932533 260052354 /nfs/dbraw/zinc/05/23/54/260052354.db2.gz MCRDXJBHDAOPEN-KGLIPLIRSA-N 1 0 278.396 2.072 20 10 CECDRO CCCOc1ccc(C[N@H+](C)CC[C@@H](C)O)c(O)c1 ZINC000093481693 394667426 /nfs/dbraw/zinc/66/74/26/394667426.db2.gz YAPXTLCBEZVANN-GFCCVEGCSA-N 1 0 267.369 2.384 20 10 CECDRO COc1cccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1O ZINC000093645667 394668982 /nfs/dbraw/zinc/66/89/82/394668982.db2.gz PWBVAJWELBKQIP-CYBMUJFWSA-N 1 0 263.337 2.012 20 10 CECDRO CCCc1nc(CN(C)Cc2ccccc2O)no1 ZINC000109771163 394735541 /nfs/dbraw/zinc/73/55/41/394735541.db2.gz PISMOCAIAQDFGP-UHFFFAOYSA-N 1 0 261.325 2.360 20 10 CECDRO CCC[N@@H+]1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000361056302 394813936 /nfs/dbraw/zinc/81/39/36/394813936.db2.gz YKILXKSSKRHTQV-UHFFFAOYSA-N 1 0 266.360 2.449 20 10 CECDRO C[NH+](C)C[C@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000271165236 394750024 /nfs/dbraw/zinc/75/00/24/394750024.db2.gz HEZIVFRBENUBJJ-LLVKDONJSA-N 1 0 268.788 2.429 20 10 CECDRO COCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000281982225 394889899 /nfs/dbraw/zinc/88/98/99/394889899.db2.gz KTVGTXVVGIGUNE-UHFFFAOYSA-N 1 0 279.336 2.027 20 10 CECDRO COc1cccc(C[NH+]2CCC(OC)CC2)c1O ZINC000132145798 394925222 /nfs/dbraw/zinc/92/52/22/394925222.db2.gz HEIDFGOMIPVNBD-UHFFFAOYSA-N 1 0 251.326 2.012 20 10 CECDRO C[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCOC1 ZINC000132774140 394937719 /nfs/dbraw/zinc/93/77/19/394937719.db2.gz JDQDDOCGGXHGJX-LLVKDONJSA-N 1 0 286.169 2.375 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000135674132 394967750 /nfs/dbraw/zinc/96/77/50/394967750.db2.gz FTBZSNZBBPPLSG-KGLIPLIRSA-N 1 0 289.423 2.414 20 10 CECDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1O ZINC000373216908 395056991 /nfs/dbraw/zinc/05/69/91/395056991.db2.gz OZUWPSOJKGAXGY-HUUCEWRRSA-N 1 0 288.391 2.191 20 10 CECDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000373739231 395065189 /nfs/dbraw/zinc/06/51/89/395065189.db2.gz VOHJHMFYEHLAQR-LQJRIPTKSA-N 1 0 294.782 2.131 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1 ZINC000372756988 395046117 /nfs/dbraw/zinc/04/61/17/395046117.db2.gz ICHRQMRYFAFHJI-LSDHHAIUSA-N 1 0 289.375 2.271 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000177220582 395147316 /nfs/dbraw/zinc/14/73/16/395147316.db2.gz LXTIHVUXEWXRKV-MRXNPFEDSA-N 1 0 277.364 2.394 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)c1 ZINC000182435963 395241877 /nfs/dbraw/zinc/24/18/77/395241877.db2.gz ZYDGHQRSWPXDDU-FZMZJTMJSA-N 1 0 292.379 2.061 20 10 CECDRO COC[C@H](CCO)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293653567 395244643 /nfs/dbraw/zinc/24/46/43/395244643.db2.gz ISOPEZIACHNJDO-OLZOCXBDSA-N 1 0 267.369 2.057 20 10 CECDRO COCCCOC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179578102 395197034 /nfs/dbraw/zinc/19/70/34/395197034.db2.gz NPRQZPPXBDGJJV-UHFFFAOYSA-N 1 0 279.380 2.410 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1O ZINC000293052768 395215853 /nfs/dbraw/zinc/21/58/53/395215853.db2.gz RRHQFAPPKBDTGE-WBMJQRKESA-N 1 0 279.380 2.432 20 10 CECDRO COc1cc(O)c(C[NH2+]Cc2ccco2)cc1OC ZINC000181510203 395217330 /nfs/dbraw/zinc/21/73/30/395217330.db2.gz VGHHPKHWUXVCOL-UHFFFAOYSA-N 1 0 263.293 2.292 20 10 CECDRO CCCC[N@H+](CCO)Cc1cc(OC)c(OC)cc1O ZINC000183477083 395257827 /nfs/dbraw/zinc/25/78/27/395257827.db2.gz DUVPGHXOLNVERI-UHFFFAOYSA-N 1 0 283.368 2.004 20 10 CECDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000193889612 395417724 /nfs/dbraw/zinc/41/77/24/395417724.db2.gz OPLQBBVUSVXUJV-GRYCIOLGSA-N 1 0 293.363 2.393 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1O ZINC000529682972 395431557 /nfs/dbraw/zinc/43/15/57/395431557.db2.gz YCNUJHNQUGVKMR-TYILLQQXSA-N 1 0 279.405 2.186 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)c1 ZINC000282342611 292165525 /nfs/dbraw/zinc/16/55/25/292165525.db2.gz OWMNLPZJLSXVMZ-ZMZPIMSZSA-N 1 0 267.394 2.262 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)N2CCCCC2)c1 ZINC000038028711 174017069 /nfs/dbraw/zinc/01/70/69/174017069.db2.gz PUKUQIAQMDNBRZ-CYBMUJFWSA-N 1 0 278.396 2.365 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCn2cccn2)c1 ZINC000126262829 260347282 /nfs/dbraw/zinc/34/72/82/260347282.db2.gz LUTXKFOUKXFRNA-GFCCVEGCSA-N 1 0 275.352 2.338 20 10 CECDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(N(C)C)cc1 ZINC000159495963 261187714 /nfs/dbraw/zinc/18/77/14/261187714.db2.gz YELRKPYFRKZOMG-CQSZACIVSA-N 1 0 289.423 2.416 20 10 CECDRO CCOCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000161907191 261262659 /nfs/dbraw/zinc/26/26/59/261262659.db2.gz DJXVLNPYTUXVRP-CYBMUJFWSA-N 1 0 296.386 2.349 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000178371518 261388191 /nfs/dbraw/zinc/38/81/91/261388191.db2.gz JTYFOKPCNGQMAY-BBRMVZONSA-N 1 0 280.412 2.191 20 10 CECDRO C[C@H]([NH2+]CCSCCCO)c1ccccc1O ZINC000183498815 261977946 /nfs/dbraw/zinc/97/79/46/261977946.db2.gz GUOLSBKOTVZZOQ-NSHDSACASA-N 1 0 255.383 2.158 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(C)(CO)CC2)cc1 ZINC000184071618 262007178 /nfs/dbraw/zinc/00/71/78/262007178.db2.gz VHDNHOCEPSRBCZ-UHFFFAOYSA-N 1 0 262.397 2.347 20 10 CECDRO Oc1ccc2ccccc2c1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000363889537 262010656 /nfs/dbraw/zinc/01/06/56/262010656.db2.gz PCFWGGVPQIQMGG-OAHLLOKOSA-N 1 0 298.386 2.062 20 10 CECDRO Cc1cccc(C[NH+]2CCN(c3ccnc(C)n3)CC2)c1O ZINC000184765856 262029004 /nfs/dbraw/zinc/02/90/04/262029004.db2.gz OBHFZXNEYKBXEV-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO COCCN1CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185145116 262044095 /nfs/dbraw/zinc/04/40/95/262044095.db2.gz HYNYCSDXBPOXOB-AWEZNQCLSA-N 1 0 292.423 2.462 20 10 CECDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000185220092 262046423 /nfs/dbraw/zinc/04/64/23/262046423.db2.gz NDLZYQDUEIZHKD-WDEREUQCSA-N 1 0 251.326 2.070 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185512169 262057711 /nfs/dbraw/zinc/05/77/11/262057711.db2.gz RZFVVKSISSIFOP-MWODSPESSA-N 1 0 273.373 2.294 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c1 ZINC000186089735 262079338 /nfs/dbraw/zinc/07/93/38/262079338.db2.gz REFKCOPUMYSDEY-LBPRGKRZSA-N 1 0 297.420 2.176 20 10 CECDRO COc1cccc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1O ZINC000278703861 263049995 /nfs/dbraw/zinc/04/99/95/263049995.db2.gz RBMHGUXJDHBFQS-UHFFFAOYSA-N 1 0 291.391 2.433 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1OC ZINC000279685608 263056897 /nfs/dbraw/zinc/05/68/97/263056897.db2.gz PFYXHYNKQKMYMU-MRXNPFEDSA-N 1 0 295.379 2.146 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)CCCO1 ZINC000281221161 263067448 /nfs/dbraw/zinc/06/74/48/263067448.db2.gz KKULIEDRAOIBHL-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO COc1cccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1O ZINC000289727609 263111570 /nfs/dbraw/zinc/11/15/70/263111570.db2.gz HPEIWSOYMUHCJM-ZFWWWQNUSA-N 1 0 290.407 2.459 20 10 CECDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(C)C ZINC000296581084 263193355 /nfs/dbraw/zinc/19/33/55/263193355.db2.gz UIUFQWJFQDPGLU-CJNGLKHVSA-N 1 0 290.407 2.472 20 10 CECDRO CCOc1cccc(C[NH2+]CC[C@@H](O)CC)c1O ZINC000127403148 264257610 /nfs/dbraw/zinc/25/76/10/264257610.db2.gz CAUXUSUHIGOZKK-LBPRGKRZSA-N 1 0 253.342 2.042 20 10 CECDRO C[C@@H]([NH2+]CCCO)c1ccc(Br)cc1O ZINC000134904092 264529046 /nfs/dbraw/zinc/52/90/46/264529046.db2.gz HLKSODSMQCIHKO-MRVPVSSYSA-N 1 0 274.158 2.188 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1C ZINC000363264242 267082533 /nfs/dbraw/zinc/08/25/33/267082533.db2.gz KHQJIEBPCGZFHH-CFVMTHIKSA-N 1 0 288.391 2.108 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1 ZINC000367707988 267112275 /nfs/dbraw/zinc/11/22/75/267112275.db2.gz PWYOTBLLCGYBAK-HNNXBMFYSA-N 1 0 289.423 2.230 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@H](OC)C[C@H]1C(=O)OC ZINC000368028314 267137571 /nfs/dbraw/zinc/13/75/71/267137571.db2.gz CPLFLXXWTMOKAE-BNOWGMLFSA-N 1 0 293.363 2.106 20 10 CECDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000368037161 267139375 /nfs/dbraw/zinc/13/93/75/267139375.db2.gz MEAYQNXHPALZMD-MEDUHNTESA-N 1 0 277.364 2.309 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368045724 267142082 /nfs/dbraw/zinc/14/20/82/267142082.db2.gz WEZUEGGVIYPXEM-KLZCAUPSSA-N 1 0 288.391 2.429 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1 ZINC000368133341 267146675 /nfs/dbraw/zinc/14/66/75/267146675.db2.gz IQMKOZPALLAJOR-HNNXBMFYSA-N 1 0 284.407 2.476 20 10 CECDRO O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@H]2CCCCN12 ZINC000370287042 267306975 /nfs/dbraw/zinc/30/69/75/267306975.db2.gz BFGHMYRAHDXWGS-QWHCGFSZSA-N 1 0 294.782 2.289 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)c1O ZINC000295114504 276380445 /nfs/dbraw/zinc/38/04/45/276380445.db2.gz VMIRZGOQLDXSBO-GXFFZTMASA-N 1 0 289.322 2.285 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000084059532 277628213 /nfs/dbraw/zinc/62/82/13/277628213.db2.gz GGUBACNWANLSQP-TZMCWYRMSA-N 1 0 275.396 2.024 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000364637123 281025313 /nfs/dbraw/zinc/02/53/13/281025313.db2.gz OCEKWNKVRAOSGA-IUODEOHRSA-N 1 0 281.327 2.430 20 10 CECDRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000268966084 328187692 /nfs/dbraw/zinc/18/76/92/328187692.db2.gz YMWHPEMLZUMHCZ-ZBFHGGJFSA-N 1 0 291.439 2.124 20 10 CECDRO Cc1cccc(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1O ZINC000271867443 328198601 /nfs/dbraw/zinc/19/86/01/328198601.db2.gz RLWTXIMDOHMRCH-IUUKEHGRSA-N 1 0 267.394 2.042 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000278555465 327176061 /nfs/dbraw/zinc/17/60/61/327176061.db2.gz OVWIJGXDULEESA-UHIISALHSA-N 1 0 265.353 2.476 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000090738778 327181189 /nfs/dbraw/zinc/18/11/89/327181189.db2.gz DWSZPYLZQHMDEK-JOYOIKCWSA-N 1 0 255.745 2.296 20 10 CECDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(F)ccc1O ZINC000530216495 328716806 /nfs/dbraw/zinc/71/68/06/328716806.db2.gz PSJLDLAYCHXTTN-QMTHXVAHSA-N 1 0 264.344 2.467 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000377622666 329021247 /nfs/dbraw/zinc/02/12/47/329021247.db2.gz IJDHETJJZDLGGF-BBRMVZONSA-N 1 0 274.364 2.055 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCc2ccccc2O)C1 ZINC000377798282 329030091 /nfs/dbraw/zinc/03/00/91/329030091.db2.gz GNZFRYOACQOWRW-MRXNPFEDSA-N 1 0 294.370 2.221 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000527812491 330284777 /nfs/dbraw/zinc/28/47/77/330284777.db2.gz PXIYREWJGWIABU-UHFFFAOYSA-N 1 0 290.407 2.439 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000164680795 331281142 /nfs/dbraw/zinc/28/11/42/331281142.db2.gz ZLPBVNYPIDOTDH-UHFFFAOYSA-N 1 0 278.396 2.222 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000219887646 333158789 /nfs/dbraw/zinc/15/87/89/333158789.db2.gz QVRPSKLSRLVJNF-HOCLYGCPSA-N 1 0 290.407 2.180 20 10 CECDRO CCC(CC)[C@H](O)C[NH2+]Cc1cccc(OC)c1O ZINC000225818838 333241155 /nfs/dbraw/zinc/24/11/55/333241155.db2.gz RYYGXGNVFDYTBX-CYBMUJFWSA-N 1 0 267.369 2.288 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@@H]3CCCCN3C[C@H]2C)c1O ZINC000251748801 334368828 /nfs/dbraw/zinc/36/88/28/334368828.db2.gz LFMNLXZSBQRTPV-HIFRSBDPSA-N 1 0 290.407 2.459 20 10 CECDRO CCSCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000273678707 334768972 /nfs/dbraw/zinc/76/89/72/334768972.db2.gz GWCVENOTXDTOFN-UHFFFAOYSA-N 1 0 280.437 2.366 20 10 CECDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2O)C1 ZINC000280939306 519538741 /nfs/dbraw/zinc/53/87/41/519538741.db2.gz IQTDKULOWHSPQL-OCCSQVGLSA-N 1 0 276.380 2.301 20 10 CECDRO CC(C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000057993849 519746961 /nfs/dbraw/zinc/74/69/61/519746961.db2.gz ZHMFDLKZGLBMPU-UHFFFAOYSA-N 1 0 266.360 2.408 20 10 CECDRO CCOCCOCC[N@H+](C)Cc1cc(OCC)ccc1O ZINC000276112275 519993455 /nfs/dbraw/zinc/99/34/55/519993455.db2.gz AFHRIVLHHBHDDF-UHFFFAOYSA-N 1 0 297.395 2.276 20 10 CECDRO CCOCc1cc(C[NH2+]C(C)(C)[C@@H](C)O)ccc1OC ZINC000270550145 520185965 /nfs/dbraw/zinc/18/59/65/520185965.db2.gz BIBINRVOSDZQCH-GFCCVEGCSA-N 1 0 281.396 2.481 20 10 CECDRO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC000280596140 520472204 /nfs/dbraw/zinc/47/22/04/520472204.db2.gz XVTHXNQSHMNYDO-GFCCVEGCSA-N 1 0 255.745 2.248 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC[C@H](C)O)cc1 ZINC000078781973 520905469 /nfs/dbraw/zinc/90/54/69/520905469.db2.gz INNPDMAVDIQQRA-ZDUSSCGKSA-N 1 0 250.386 2.393 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)CO)cc1 ZINC000088195050 520905895 /nfs/dbraw/zinc/90/58/95/520905895.db2.gz QXQNUCZEYNLTPK-CYBMUJFWSA-N 1 0 250.386 2.251 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](COC)[C@H]2CCCO2)c1 ZINC000278778406 521155462 /nfs/dbraw/zinc/15/54/62/521155462.db2.gz YVZORQQMIOGKKA-GDBMZVCRSA-N 1 0 295.379 2.075 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000279767312 521155769 /nfs/dbraw/zinc/15/57/69/521155769.db2.gz JWPLWPHRRHWBKR-AWEZNQCLSA-N 1 0 279.380 2.432 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000280053566 521689824 /nfs/dbraw/zinc/68/98/24/521689824.db2.gz PEHSPRIVDMYXOR-ZDUSSCGKSA-N 1 0 297.420 2.039 20 10 CECDRO C[NH+](C)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000277406901 522098412 /nfs/dbraw/zinc/09/84/12/522098412.db2.gz IBUVLFCVACRFQW-ZDUSSCGKSA-N 1 0 292.379 2.037 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CCO)c(C(F)(F)F)c1 ZINC000279762224 522170755 /nfs/dbraw/zinc/17/07/55/522170755.db2.gz ZBWKOEHJBDMYFX-UHFFFAOYSA-N 1 0 276.302 2.196 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cc1F ZINC000276020162 522181623 /nfs/dbraw/zinc/18/16/23/522181623.db2.gz QSSSCCFIQYVTFG-OAHLLOKOSA-N 1 0 280.387 2.485 20 10 CECDRO COCCO[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000276085360 524032990 /nfs/dbraw/zinc/03/29/90/524032990.db2.gz XJZVMUMVPOMCMQ-LLVKDONJSA-N 1 0 285.771 2.283 20 10 CECDRO COc1ccc(C[NH2+]CCCn2ccnc2)cc1C ZINC000035052419 524070593 /nfs/dbraw/zinc/07/05/93/524070593.db2.gz NSKFLFFFCPUIJA-UHFFFAOYSA-N 1 0 259.353 2.380 20 10 CECDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000290065266 524080109 /nfs/dbraw/zinc/08/01/09/524080109.db2.gz FNYQUFIJCPBRIG-ZDUSSCGKSA-N 1 0 296.342 2.242 20 10 CECDRO Cc1cccc(C[NH2+][C@@H](c2nncn2C)C(C)C)c1O ZINC000289621553 524439069 /nfs/dbraw/zinc/43/90/69/524439069.db2.gz WKKQPMCEWWRKEU-CYBMUJFWSA-N 1 0 274.368 2.316 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H](C2CC2)O1 ZINC000280502516 524614038 /nfs/dbraw/zinc/61/40/38/524614038.db2.gz GGJYRRRXMVHYFK-MGPLVRAMSA-N 1 0 291.347 2.120 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)ccc1N(C)C ZINC000293046406 524684851 /nfs/dbraw/zinc/68/48/51/524684851.db2.gz KEHHWDVTKWEWLO-MRXNPFEDSA-N 1 0 292.423 2.034 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2(OC)CCCC2)c1 ZINC000276732379 524750941 /nfs/dbraw/zinc/75/09/41/524750941.db2.gz DWOKBIITCLNEMV-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)CC(C)C)c1 ZINC000040774040 524766354 /nfs/dbraw/zinc/76/63/54/524766354.db2.gz KNIBODOAPATVDJ-VXGBXAGGSA-N 1 0 267.369 2.458 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)c1 ZINC000277395165 525345044 /nfs/dbraw/zinc/34/50/44/525345044.db2.gz GPEBYGUWFZVGNC-SGTLLEGYSA-N 1 0 267.394 2.044 20 10 CECDRO C[C@@H](O)C1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000130406737 525747283 /nfs/dbraw/zinc/74/72/83/525747283.db2.gz MZXXHCBLDDZXRF-GFCCVEGCSA-N 1 0 280.387 2.485 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1O ZINC000280671169 525958264 /nfs/dbraw/zinc/95/82/64/525958264.db2.gz UFRRUVLAUYDFAW-XHDPSFHLSA-N 1 0 277.364 2.400 20 10 CECDRO COc1cccc(C[NH2+]C2CCN(C3CC3)CC2)c1O ZINC000037140983 526010310 /nfs/dbraw/zinc/01/03/10/526010310.db2.gz ADLYPDGENLVPJK-UHFFFAOYSA-N 1 0 276.380 2.117 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CC1(O)CCCC1 ZINC000083552527 526362584 /nfs/dbraw/zinc/36/25/84/526362584.db2.gz ZYZCDXCENYFQQC-UHFFFAOYSA-N 1 0 255.745 2.440 20 10 CECDRO Nc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000237998153 527493465 /nfs/dbraw/zinc/49/34/65/527493465.db2.gz MCDUTFQNRRBCEI-SWHYSGLUSA-N 1 0 259.353 2.128 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H]2CCN(C)C2)ccc1OC ZINC000729681805 574490651 /nfs/dbraw/zinc/49/06/51/574490651.db2.gz JQTINDQEKWUMHQ-OAHLLOKOSA-N 1 0 278.396 2.025 20 10 CECDRO CS(=O)(=O)CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731846166 574603815 /nfs/dbraw/zinc/60/38/15/574603815.db2.gz WIFSCSHFFOMOHC-UHFFFAOYSA-N 1 0 297.420 2.181 20 10 CECDRO O=C(C1=CC(=O)CS1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000732290550 574618447 /nfs/dbraw/zinc/61/84/47/574618447.db2.gz ZFBODDGHGSNNNE-NSHDSACASA-N 1 0 280.393 2.154 20 10 CECDRO CO[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000733329958 574665096 /nfs/dbraw/zinc/66/50/96/574665096.db2.gz MKVNHQGWKQGYDF-LBPRGKRZSA-N 1 0 275.270 2.288 20 10 CECDRO Oc1ccccc1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000733331051 574665175 /nfs/dbraw/zinc/66/51/75/574665175.db2.gz YJSJATSVFXUWSH-INIZCTEOSA-N 1 0 290.407 2.125 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c(O)c1 ZINC000742374630 575017829 /nfs/dbraw/zinc/01/78/29/575017829.db2.gz AQWZPBLGNVLUPS-TZMCWYRMSA-N 1 0 278.396 2.363 20 10 CECDRO Oc1ccc2ccncc2c1C[N@@H+]1CCCOCC1 ZINC000748072481 575178061 /nfs/dbraw/zinc/17/80/61/575178061.db2.gz GQVCDTXJYLWEJW-UHFFFAOYSA-N 1 0 258.321 2.163 20 10 CECDRO C[C@H](NC(=O)N1C2CCC1(C[NH3+])CC2)c1ccccc1O ZINC000892453514 625498397 /nfs/dbraw/zinc/49/83/97/625498397.db2.gz MAUBXQJSPOUAPO-FZWSLVFFSA-N 1 0 289.379 2.119 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCS[C@H]2C)c1 ZINC000310528700 625589834 /nfs/dbraw/zinc/58/98/34/625589834.db2.gz YQQRPEAOPOZIPA-JOYOIKCWSA-N 1 0 253.367 2.384 20 10 CECDRO CC(C)[C@H](C(=O)NCc1cccc(Cl)c1O)[NH+](C)C ZINC000890760563 622931657 /nfs/dbraw/zinc/93/16/57/622931657.db2.gz TYFIEDBFSAHMRQ-GFCCVEGCSA-N 1 0 284.787 2.248 20 10 CECDRO C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccccc1O ZINC000806178832 622935669 /nfs/dbraw/zinc/93/56/69/622935669.db2.gz JOIYHIZSTRVELO-TZMCWYRMSA-N 1 0 272.348 2.214 20 10 CECDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000091985885 625615577 /nfs/dbraw/zinc/61/55/77/625615577.db2.gz FEJAGXHXBUPGKP-VIFPVBQESA-N 1 0 271.744 2.287 20 10 CECDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000160357206 623247977 /nfs/dbraw/zinc/24/79/77/623247977.db2.gz FLYHMRUXDIWSQJ-LBPRGKRZSA-N 1 0 281.352 2.020 20 10 CECDRO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000179873560 625669392 /nfs/dbraw/zinc/66/93/92/625669392.db2.gz JRLLXVLDAGLQHK-CHWSQXEVSA-N 1 0 267.369 2.076 20 10 CECDRO COc1ccc(C[NH+]2CCC(CCO)CC2)c(O)c1OC ZINC000891571505 623793035 /nfs/dbraw/zinc/79/30/35/623793035.db2.gz VRFNTSSSYMAKPK-UHFFFAOYSA-N 1 0 295.379 2.004 20 10 CECDRO COc1ccc(C[NH2+]C(C)(C)CN(C)C)cc1C ZINC000308610776 623903878 /nfs/dbraw/zinc/90/38/78/623903878.db2.gz YLYXOMOJKZSZDC-UHFFFAOYSA-N 1 0 250.386 2.433 20 10 CECDRO C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000891981522 624226203 /nfs/dbraw/zinc/22/62/03/624226203.db2.gz LNIDZYWCTMKIFJ-YNEHKIRRSA-N 1 0 291.395 2.141 20 10 CECDRO CC(C)[NH2+]CCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000891988693 624231973 /nfs/dbraw/zinc/23/19/73/624231973.db2.gz SKRKWTKTMTZPHG-LBPRGKRZSA-N 1 0 279.384 2.141 20 10 CECDRO CN(C)c1ccc(/C=C/CN(C)CC(C)(C)[NH3+])cc1 ZINC000849349686 624781836 /nfs/dbraw/zinc/78/18/36/624781836.db2.gz DXXNTCXXPPQLTQ-VOTSOKGWSA-N 1 0 261.413 2.435 20 10 CECDRO CC[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[NH+](C)C ZINC000177850648 625903963 /nfs/dbraw/zinc/90/39/63/625903963.db2.gz NSUGFRBONSXIOD-INIZCTEOSA-N 1 0 289.423 2.243 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCCCO2)c(O)c1OC ZINC000892678392 627624470 /nfs/dbraw/zinc/62/44/70/627624470.db2.gz GOQJGLGXRWYYQW-LBPRGKRZSA-N 1 0 281.352 2.068 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCC2CCOCC2)c1 ZINC000311538952 627675862 /nfs/dbraw/zinc/67/58/62/627675862.db2.gz XVTSIDHFVBFUTE-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892976222 627912698 /nfs/dbraw/zinc/91/26/98/627912698.db2.gz BRVUTBUUYOYPQF-CYBMUJFWSA-N 1 0 297.395 2.296 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)C2CCOCC2)c(O)c1OC ZINC000893120138 628018870 /nfs/dbraw/zinc/01/88/70/628018870.db2.gz GRVULOALYUPSQR-NSHDSACASA-N 1 0 295.379 2.314 20 10 CECDRO CN1CCCc2cc(CN[C@H]3CC[NH2+]C34CCC4)ccc21 ZINC000925531533 628130912 /nfs/dbraw/zinc/13/09/12/628130912.db2.gz LGPUXWCAJYYBRA-KRWDZBQOSA-N 1 0 285.435 2.443 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000182480711 628159438 /nfs/dbraw/zinc/15/94/38/628159438.db2.gz GCFWLEUYTXAIPJ-UHFFFAOYSA-N 1 0 298.342 2.441 20 10 CECDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)nn1 ZINC000840907769 628368631 /nfs/dbraw/zinc/36/86/31/628368631.db2.gz JAHMWPYKGFVTCN-UHFFFAOYSA-N 1 0 270.380 2.483 20 10 CECDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc(OC)ccc1O ZINC000776220678 628376258 /nfs/dbraw/zinc/37/62/58/628376258.db2.gz YRKSZVMFPVQDSZ-YPMHNXCESA-N 1 0 267.369 2.288 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000840917103 628487716 /nfs/dbraw/zinc/48/77/16/628487716.db2.gz FFTHZALNLPNPBG-QGZVFWFLSA-N 1 0 292.423 2.034 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000257721791 628613923 /nfs/dbraw/zinc/61/39/23/628613923.db2.gz VRDRNBNXKXDOGN-INIZCTEOSA-N 1 0 259.397 2.081 20 10 CECDRO COc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C)c(O)c1OC ZINC000893521417 628673775 /nfs/dbraw/zinc/67/37/75/628673775.db2.gz NJTISQLLBCVIBI-BONVTDFDSA-N 1 0 281.352 2.067 20 10 CECDRO CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005097654 628774522 /nfs/dbraw/zinc/77/45/22/628774522.db2.gz AEHXIKBGFHZVJS-HNNXBMFYSA-N 1 0 277.412 2.272 20 10 CECDRO C[C@@H]1C[NH2+]C[C@H]1N[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000925784334 628821534 /nfs/dbraw/zinc/82/15/34/628821534.db2.gz MLWVJFXIUPAANK-BSJXLVFVSA-N 1 0 264.344 2.277 20 10 CECDRO CCOc1cccc(CN2CC[C@]3(CCC[NH2+]3)C2)c1O ZINC000841105469 629158403 /nfs/dbraw/zinc/15/84/03/629158403.db2.gz PFSCEIKWVZMHBG-MRXNPFEDSA-N 1 0 276.380 2.119 20 10 CECDRO COc1ccc(C[NH2+][C@@H](CO)CC2CCC2)c(O)c1OC ZINC000894168098 629181940 /nfs/dbraw/zinc/18/19/40/629181940.db2.gz SDBQSHBGPCXOJJ-CYBMUJFWSA-N 1 0 295.379 2.050 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC2(O)CCCCC2)c1O ZINC000894223598 629236549 /nfs/dbraw/zinc/23/65/49/629236549.db2.gz SVENNPZVRFWARE-UHFFFAOYSA-N 1 0 279.380 2.494 20 10 CECDRO COC[C@H]1COCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000902561842 634723000 /nfs/dbraw/zinc/72/30/00/634723000.db2.gz CKWWCEBCPWJIHB-AWEZNQCLSA-N 1 0 287.359 2.393 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)C[C@H](C)O)c1O ZINC000894291820 629311265 /nfs/dbraw/zinc/31/12/65/629311265.db2.gz FLPJJUQKRJTDMK-RYUDHWBXSA-N 1 0 267.369 2.206 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(C)cc1O ZINC000794807786 629325352 /nfs/dbraw/zinc/32/53/52/629325352.db2.gz LQWXMJLZNMHVRR-GOEBONIOSA-N 1 0 292.423 2.462 20 10 CECDRO CC[C@@H]([NH2+]Cc1cn(C)nn1)c1ccc(C)cc1O ZINC000794819886 629327700 /nfs/dbraw/zinc/32/77/00/629327700.db2.gz YWTPFBDUEXRWTB-CYBMUJFWSA-N 1 0 260.341 2.070 20 10 CECDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894453544 629467870 /nfs/dbraw/zinc/46/78/70/629467870.db2.gz HLXUNLWBOCWVCU-RYUDHWBXSA-N 1 0 295.379 2.387 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1O ZINC000894452949 629470412 /nfs/dbraw/zinc/47/04/12/629470412.db2.gz ADYPZVPOHGMBGX-AWEZNQCLSA-N 1 0 279.380 2.445 20 10 CECDRO COc1ccc(C[N@H+](C)[C@H](CO)CC(C)C)c(O)c1OC ZINC000894497360 629491615 /nfs/dbraw/zinc/49/16/15/629491615.db2.gz XXMWMNVHJUFTDY-ZDUSSCGKSA-N 1 0 297.395 2.248 20 10 CECDRO COc1ccc(C[NH2+]C2(CF)CCOCC2)c(O)c1OC ZINC000894694575 629593807 /nfs/dbraw/zinc/59/38/07/629593807.db2.gz FZTIBNBANXLBTG-UHFFFAOYSA-N 1 0 299.342 2.018 20 10 CECDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894784266 629641357 /nfs/dbraw/zinc/64/13/57/629641357.db2.gz KURPIBVKHHDSHD-CYBMUJFWSA-N 1 0 295.379 2.410 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)c(O)c1OC ZINC000894798068 629645922 /nfs/dbraw/zinc/64/59/22/629645922.db2.gz SPZYNLKPWROOTM-GFCCVEGCSA-N 1 0 295.379 2.004 20 10 CECDRO Cc1ccc(C[NH2+]CCO[C@H]2CCCCO2)c(O)c1 ZINC000894793857 629650699 /nfs/dbraw/zinc/65/06/99/629650699.db2.gz KZVNNYCQYBOXMI-HNNXBMFYSA-N 1 0 265.353 2.333 20 10 CECDRO O=C(NC1CC([NH+]2CCCCC2)C1)C1=CC(=O)CS1 ZINC000795891045 629701235 /nfs/dbraw/zinc/70/12/35/629701235.db2.gz UIUUAPCLMIDZGG-UHFFFAOYSA-N 1 0 280.393 2.200 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)CCCO)c1O ZINC000894876129 629709786 /nfs/dbraw/zinc/70/97/86/629709786.db2.gz FJDOSACOSKZSAJ-NSHDSACASA-N 1 0 267.369 2.207 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2conc2C)c1O ZINC000894887110 629723908 /nfs/dbraw/zinc/72/39/08/629723908.db2.gz VKIQNGBSWRPDQE-UHFFFAOYSA-N 1 0 262.309 2.295 20 10 CECDRO Cc1nnc([C@H]2CC[N@H+](Cc3cccc(C)c3O)C2)[nH]1 ZINC000895008280 629799359 /nfs/dbraw/zinc/79/93/59/629799359.db2.gz UVIZERBQCNFEOW-ZDUSSCGKSA-N 1 0 272.352 2.117 20 10 CECDRO Cc1nnc([C@@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)[nH]1 ZINC000895007929 629799593 /nfs/dbraw/zinc/79/95/93/629799593.db2.gz PTDRBPZLNZHGMP-GFCCVEGCSA-N 1 0 272.352 2.117 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CCC1(O)CCOCC1 ZINC000796465657 629914773 /nfs/dbraw/zinc/91/47/73/629914773.db2.gz IFVDSWQXLQKYRG-UHFFFAOYSA-N 1 0 285.771 2.067 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CC)C(=O)OC)c1 ZINC000895121519 629925841 /nfs/dbraw/zinc/92/58/41/629925841.db2.gz YNVPNFLQPJIFHU-LLVKDONJSA-N 1 0 281.352 2.080 20 10 CECDRO COc1cccc(C[N@@H+]2CCCCC[C@@H]2CO)c1O ZINC000895152388 629968126 /nfs/dbraw/zinc/96/81/26/629968126.db2.gz UPAWWAQRYWELHB-CYBMUJFWSA-N 1 0 265.353 2.138 20 10 CECDRO COc1cc(C)cc(C[N@H+](C[C@H](C)O)C2CC2)c1O ZINC000895193396 630024891 /nfs/dbraw/zinc/02/48/91/630024891.db2.gz XLFFZIKIFLUOAL-NSHDSACASA-N 1 0 265.353 2.054 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1O ZINC000895407106 630170554 /nfs/dbraw/zinc/17/05/54/630170554.db2.gz ZKBYJSQOYFRFAK-UONOGXRCSA-N 1 0 277.364 2.366 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1O ZINC000895407107 630171266 /nfs/dbraw/zinc/17/12/66/630171266.db2.gz ZKBYJSQOYFRFAK-ZIAGYGMSSA-N 1 0 277.364 2.366 20 10 CECDRO COC(=O)[C@@H]1[C@@H](C[NH2+][C@H](C)c2ccccc2O)C1(F)F ZINC000895460070 630202531 /nfs/dbraw/zinc/20/25/31/630202531.db2.gz ITSWAJXVJGFKED-UISBYWKRSA-N 1 0 285.290 2.097 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCN(C)C(C)(C)C2)c(O)c1 ZINC000895564223 630251310 /nfs/dbraw/zinc/25/13/10/630251310.db2.gz BJSXCTHLHHRXFP-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO Cc1cccc(C[NH2+]C[C@H](CO)Cc2ccoc2)c1O ZINC000895593873 630269941 /nfs/dbraw/zinc/26/99/41/630269941.db2.gz ZQAUKOCPMSUTLA-CQSZACIVSA-N 1 0 275.348 2.234 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(O)c1OC ZINC000895625006 630277729 /nfs/dbraw/zinc/27/77/29/630277729.db2.gz SBRBWHCXXSYWEZ-PUHVVEEASA-N 1 0 295.379 2.311 20 10 CECDRO COc1ccc(C[N@H+](CCO)Cc2ccccc2O)cc1 ZINC000895711638 630311215 /nfs/dbraw/zinc/31/12/15/630311215.db2.gz SPTVJRZJZYEZDB-UHFFFAOYSA-N 1 0 287.359 2.395 20 10 CECDRO COc1ccc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c(O)c1OC ZINC000895849651 630376306 /nfs/dbraw/zinc/37/63/06/630376306.db2.gz XVORMAMMUKLFER-LBPRGKRZSA-N 1 0 295.379 2.002 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC(C)(C)CC[C@H]2CO)c1 ZINC000895924253 630404739 /nfs/dbraw/zinc/40/47/39/630404739.db2.gz UJPYCIBRNPGHRT-ZDUSSCGKSA-N 1 0 279.380 2.384 20 10 CECDRO COc1ccc(C[N@@H+]2C[C@@H](OC)CC[C@H]2C)c(O)c1OC ZINC000896076474 630458526 /nfs/dbraw/zinc/45/85/26/630458526.db2.gz QRJTVRUFFNMVEB-YPMHNXCESA-N 1 0 295.379 2.409 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000896239853 630509595 /nfs/dbraw/zinc/50/95/95/630509595.db2.gz NCNBWFBUGGLBQH-LLVKDONJSA-N 1 0 289.335 2.082 20 10 CECDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3c(C)cccc3O)C[C@@H]21 ZINC000896446804 630567811 /nfs/dbraw/zinc/56/78/11/630567811.db2.gz KFVRJHOGRXUKNN-IVMMDQJWSA-N 1 0 289.375 2.332 20 10 CECDRO CCC(=O)N1CCC([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896636876 630620711 /nfs/dbraw/zinc/62/07/11/630620711.db2.gz IFUAPQASKGDJDW-UHFFFAOYSA-N 1 0 280.343 2.022 20 10 CECDRO COCC[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000798940877 630954778 /nfs/dbraw/zinc/95/47/78/630954778.db2.gz OJLCNYZNCMQNON-HOSYDEDBSA-N 1 0 283.343 2.067 20 10 CECDRO OCC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1O ZINC000799349819 631018661 /nfs/dbraw/zinc/01/86/61/631018661.db2.gz KQJUARRLTXLCAC-MRXNPFEDSA-N 1 0 271.360 2.476 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C(=O)NCCF ZINC000800499017 631131434 /nfs/dbraw/zinc/13/14/34/631131434.db2.gz SYOJUEUBLHDRAK-QXEWZRGKSA-N 1 0 298.333 2.143 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897527215 631650414 /nfs/dbraw/zinc/65/04/14/631650414.db2.gz JPQJIFMSVKQTRX-UHFFFAOYSA-N 1 0 261.365 2.485 20 10 CECDRO Cc1ccc(O)c(CN[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000843127195 631749395 /nfs/dbraw/zinc/74/93/95/631749395.db2.gz BKVZKINRLGGXRK-OAHLLOKOSA-N 1 0 260.381 2.465 20 10 CECDRO CC[C@@H]([NH2+]Cc1cnnn1C)c1cc(Cl)ccc1O ZINC000806660111 631762721 /nfs/dbraw/zinc/76/27/21/631762721.db2.gz QMUHEJVMKZFUPQ-GFCCVEGCSA-N 1 0 280.759 2.415 20 10 CECDRO C[C@]1(F)CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840097555 631846395 /nfs/dbraw/zinc/84/63/95/631846395.db2.gz BVJSISQJQVXCLZ-ZFWWWQNUSA-N 1 0 281.327 2.142 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CC23CC(O)C3)c(Cl)c1 ZINC000897844190 631941195 /nfs/dbraw/zinc/94/11/95/631941195.db2.gz NQPRZFQTVBENNF-IMXVTNBVSA-N 1 0 267.756 2.357 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COCC[C@H]2OC)cc1 ZINC000897891789 631963953 /nfs/dbraw/zinc/96/39/53/631963953.db2.gz QVWOHEIPDUPSOQ-IAGOWNOFSA-N 1 0 292.423 2.426 20 10 CECDRO CCOc1ccc(C[NH2+]C2CC(CCO)C2)c(O)c1 ZINC000898007503 631999328 /nfs/dbraw/zinc/99/93/28/631999328.db2.gz BAXQVSLBSMBLPE-UHFFFAOYSA-N 1 0 265.353 2.042 20 10 CECDRO CN(C)c1ccc(C[NH2+]C2CC(CCO)C2)cc1F ZINC000898008370 632000582 /nfs/dbraw/zinc/00/05/82/632000582.db2.gz OJHWTFCGAYIYAW-UHFFFAOYSA-N 1 0 266.360 2.142 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808695272 632001851 /nfs/dbraw/zinc/00/18/51/632001851.db2.gz KHFCEKWXMUNOJD-IINYFYTJSA-N 1 0 287.787 2.402 20 10 CECDRO CN(C)c1ccc(CN(C)CC[NH+]2CCCC2)cc1F ZINC000809738483 632135598 /nfs/dbraw/zinc/13/55/98/632135598.db2.gz ZPJINLNDEOJCSO-UHFFFAOYSA-N 1 0 279.403 2.419 20 10 CECDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000809777997 632144870 /nfs/dbraw/zinc/14/48/70/632144870.db2.gz KTZFDZAJVMLXHN-OAHLLOKOSA-N 1 0 290.407 2.439 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3CCC3)C1)[C@@H](O)CO2 ZINC000840188838 632157382 /nfs/dbraw/zinc/15/73/82/632157382.db2.gz MXZHIUGLPBOUNY-LRDDRELGSA-N 1 0 289.375 2.440 20 10 CECDRO COCC(C)(C)C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841043312 632336921 /nfs/dbraw/zinc/33/69/21/632336921.db2.gz RETXYKBQVPNUFQ-HNNXBMFYSA-N 1 0 279.428 2.015 20 10 CECDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCSC2)N(C)C)cc1 ZINC000898451351 632499716 /nfs/dbraw/zinc/49/97/16/632499716.db2.gz YCKGEXWUAOYKAK-GOEBONIOSA-N 1 0 293.480 2.450 20 10 CECDRO CC[C@H]1C(=O)NCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000898557813 632536622 /nfs/dbraw/zinc/53/66/22/632536622.db2.gz JKSLUGQOTFXKKV-AWEZNQCLSA-N 1 0 276.380 2.110 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C2COCCOC2)c2c1c(F)ccc2O ZINC000813879005 632751886 /nfs/dbraw/zinc/75/18/86/632751886.db2.gz IFVXTIBXSOJOOD-SKDRFNHKSA-N 1 0 281.327 2.085 20 10 CECDRO COC[C@@H](CC[NH2+]Cc1ccc(N(C)C)cc1C)OC ZINC000826840810 635858723 /nfs/dbraw/zinc/85/87/23/635858723.db2.gz ZFLLPNNOJFYMCP-MRXNPFEDSA-N 1 0 280.412 2.202 20 10 CECDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)ccc1N(C)C ZINC000815089362 632957497 /nfs/dbraw/zinc/95/74/97/632957497.db2.gz DARCBXKLVLQAAC-LSDHHAIUSA-N 1 0 289.423 2.195 20 10 CECDRO CC(C)NC(=O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816528455 633407770 /nfs/dbraw/zinc/40/77/70/633407770.db2.gz CWQWIZXSCCOFNI-UHFFFAOYSA-N 1 0 272.348 2.160 20 10 CECDRO Oc1c(C[NH2+]CC2(O)CCOCC2)ccc2ccccc21 ZINC000816548067 633410340 /nfs/dbraw/zinc/41/03/40/633410340.db2.gz SQYXNGLKVYXVTK-UHFFFAOYSA-N 1 0 287.359 2.177 20 10 CECDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000816649640 633457026 /nfs/dbraw/zinc/45/70/26/633457026.db2.gz GCIOYWRUJWXOAJ-UONOGXRCSA-N 1 0 260.381 2.363 20 10 CECDRO COC1([C@H](C)[NH2+]Cc2cccc(C)c2O)CCOCC1 ZINC000817419398 633656308 /nfs/dbraw/zinc/65/63/08/633656308.db2.gz GMXHMTPLSDGXJD-ZDUSSCGKSA-N 1 0 279.380 2.374 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CC2)c2c1c(F)ccc2O ZINC000817586550 633702868 /nfs/dbraw/zinc/70/28/68/633702868.db2.gz PMGZWQBQGBACMG-GXSJLCMTSA-N 1 0 292.354 2.325 20 10 CECDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc2c(c1)CCCN2C ZINC000817900435 633760911 /nfs/dbraw/zinc/76/09/11/633760911.db2.gz MTNMALYYXADGKL-CJNGLKHVSA-N 1 0 273.424 2.157 20 10 CECDRO CC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000817940429 633789098 /nfs/dbraw/zinc/78/90/98/633789098.db2.gz GEWXFPVDAFAPBK-XIRDDKMYSA-N 1 0 291.439 2.157 20 10 CECDRO C[C@@H]1C[C@H](NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c2nccn21 ZINC000817942287 633789891 /nfs/dbraw/zinc/78/98/91/633789891.db2.gz NPSXLTACOIAXJY-KCXAZCMYSA-N 1 0 299.422 2.245 20 10 CECDRO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000817943277 633790667 /nfs/dbraw/zinc/79/06/67/633790667.db2.gz TWELOXKFWTWTJZ-USXIJHARSA-N 1 0 291.439 2.300 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817945954 633792101 /nfs/dbraw/zinc/79/21/01/633792101.db2.gz OHYFCOLFXNSAQK-GHMZBOCLSA-N 1 0 252.333 2.182 20 10 CECDRO Nc1ccc(CC[NH2+]C2CCN(C3CC3)CC2)cc1 ZINC000817957887 633799841 /nfs/dbraw/zinc/79/98/41/633799841.db2.gz QLRUPJRTZCWMLW-UHFFFAOYSA-N 1 0 259.397 2.028 20 10 CECDRO Cc1cc([C@H](C)[NH2+]CCc2ccc(N)cc2)n(C)n1 ZINC000817957931 633800071 /nfs/dbraw/zinc/80/00/71/633800071.db2.gz RASMKCVNTHVVNN-LBPRGKRZSA-N 1 0 258.369 2.204 20 10 CECDRO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000817968701 633811253 /nfs/dbraw/zinc/81/12/53/633811253.db2.gz WFRCLRFWKARZHN-DVOMOZLQSA-N 1 0 261.413 2.401 20 10 CECDRO COc1ccc(O)c([C@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000817968999 633811760 /nfs/dbraw/zinc/81/17/60/633811760.db2.gz OVLWZZJZJJKZPK-UHIISALHSA-N 1 0 264.369 2.049 20 10 CECDRO C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817971298 633812815 /nfs/dbraw/zinc/81/28/15/633812815.db2.gz CATFFRHOYNMZMH-RQJHMYQMSA-N 1 0 291.164 2.292 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972633 633815132 /nfs/dbraw/zinc/81/51/32/633815132.db2.gz YVPDWSDZUXVXDP-OUAUKWLOSA-N 1 0 279.340 2.092 20 10 CECDRO Cc1ccc([C@@H](C)N[C@H]2C[NH2+]CCC2(F)F)c(O)c1 ZINC000817979439 633822113 /nfs/dbraw/zinc/82/21/13/633822113.db2.gz BBGMKUDDHHZALO-MFKMUULPSA-N 1 0 270.323 2.348 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)CSC)cc1 ZINC000818965034 634018337 /nfs/dbraw/zinc/01/83/37/634018337.db2.gz ODNDLIYPANDELL-HNNXBMFYSA-N 1 0 282.453 2.346 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1C ZINC000819895761 634276967 /nfs/dbraw/zinc/27/69/67/634276967.db2.gz CKBYQHDIZCPWLB-OAHLLOKOSA-N 1 0 286.379 2.438 20 10 CECDRO CN(C)c1ccc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000822520508 634935596 /nfs/dbraw/zinc/93/55/96/634935596.db2.gz DTYMSNUKNIPSDH-DOTOQJQBSA-N 1 0 273.424 2.279 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903098489 634967617 /nfs/dbraw/zinc/96/76/17/634967617.db2.gz PMMHCEJOJAKXDP-SJORKVTESA-N 1 0 290.407 2.099 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCN2C)cc1 ZINC000903321695 635055631 /nfs/dbraw/zinc/05/56/31/635055631.db2.gz HYTIDNREJRJHIP-XJKSGUPXSA-N 1 0 261.413 2.497 20 10 CECDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)CCO1 ZINC000823871922 635298187 /nfs/dbraw/zinc/29/81/87/635298187.db2.gz RPICZBHKWONUSS-OLZOCXBDSA-N 1 0 265.353 2.448 20 10 CECDRO CN(C)c1ccc(/C=C\CN2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000903985880 635405035 /nfs/dbraw/zinc/40/50/35/635405035.db2.gz BTFZORVYCWTCRT-OGZRUICASA-N 1 0 273.424 2.435 20 10 CECDRO Cc1cc(O)c(CN2CCO[C@H](C[NH+](C)C)C2)cc1Cl ZINC000824478688 635434053 /nfs/dbraw/zinc/43/40/53/635434053.db2.gz NZPLAEUKEYNTGO-CYBMUJFWSA-N 1 0 298.814 2.116 20 10 CECDRO CCC[N@H+](CCO)Cc1ccc(Br)cc1O ZINC000824522515 635440737 /nfs/dbraw/zinc/44/07/37/635440737.db2.gz QEUNZHQXRDLBLL-UHFFFAOYSA-N 1 0 288.185 2.359 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccccc1O ZINC000824564301 635452839 /nfs/dbraw/zinc/45/28/39/635452839.db2.gz IKGCEUZATPBFRM-GDBMZVCRSA-N 1 0 292.423 2.280 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)C(F)F ZINC000824636238 635467170 /nfs/dbraw/zinc/46/71/70/635467170.db2.gz MZZQQQWBWRXHRS-DGCLKSJQSA-N 1 0 271.307 2.116 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)CCCCO)c(O)c1 ZINC000824653791 635471426 /nfs/dbraw/zinc/47/14/26/635471426.db2.gz IAXVZXSPIHHMAI-GFCCVEGCSA-N 1 0 267.369 2.432 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2(CF)CCOCC2)c1 ZINC000824794579 635499959 /nfs/dbraw/zinc/49/99/59/635499959.db2.gz FEEWZKQLFKGNPI-UHFFFAOYSA-N 1 0 283.343 2.257 20 10 CECDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H](CO)CC(C)(C)C ZINC000825039919 635545868 /nfs/dbraw/zinc/54/58/68/635545868.db2.gz BKDHABDSCUROBH-GFCCVEGCSA-N 1 0 295.379 2.350 20 10 CECDRO CC[C@H](C)[NH+]1CCN(Cc2c(O)cccc2OC)CC1 ZINC000825098352 635565956 /nfs/dbraw/zinc/56/59/56/635565956.db2.gz HJSYLISPVXYLCB-ZDUSSCGKSA-N 1 0 278.396 2.317 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124771 635572881 /nfs/dbraw/zinc/57/28/81/635572881.db2.gz XTYFQZDLKPTZBW-DGCLKSJQSA-N 1 0 289.297 2.446 20 10 CECDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1cccc(Cl)c1[O-] ZINC000825129689 635574947 /nfs/dbraw/zinc/57/49/47/635574947.db2.gz ATCAKFWQASLBTA-MFKMUULPSA-N 1 0 285.771 2.017 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCN2CCOC2=O)cc1Cl ZINC000825213959 635591324 /nfs/dbraw/zinc/59/13/24/635591324.db2.gz ARVKAAZHYBFHLV-UHFFFAOYSA-N 1 0 298.770 2.286 20 10 CECDRO c1cc2c(cc1CN[C@]13CCC[C@@H]1[NH2+]CC3)CCCO2 ZINC000904383738 635605564 /nfs/dbraw/zinc/60/55/64/635605564.db2.gz CZHJMRKMGWJXPR-IRXDYDNUSA-N 1 0 272.392 2.386 20 10 CECDRO COc1cccc(O)c1CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000825331245 635618410 /nfs/dbraw/zinc/61/84/10/635618410.db2.gz ALMGAPIGKXXLHT-CYBMUJFWSA-N 1 0 278.396 2.315 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1O ZINC000904411533 635619495 /nfs/dbraw/zinc/61/94/95/635619495.db2.gz LZDJPEGEHMCJTQ-QWHCGFSZSA-N 1 0 278.396 2.208 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1C[NH3+] ZINC000904412406 635620382 /nfs/dbraw/zinc/62/03/82/635620382.db2.gz VISJPLGYSKDOIO-GHMZBOCLSA-N 1 0 268.788 2.462 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)C[S@](C)=O)cc1Cl ZINC000825498105 635647469 /nfs/dbraw/zinc/64/74/69/635647469.db2.gz VJEXKPKCKMDXFQ-XLFHBGCDSA-N 1 0 275.801 2.211 20 10 CECDRO Cc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1O ZINC000826298349 635770168 /nfs/dbraw/zinc/77/01/68/635770168.db2.gz OWVBGZZOHJHWTA-UHFFFAOYSA-N 1 0 295.346 2.171 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CO[C@@H](C)C2)c1 ZINC000842775287 635775951 /nfs/dbraw/zinc/77/59/51/635775951.db2.gz LYAJEGROQJHUSB-JQWIXIFHSA-N 1 0 251.326 2.058 20 10 CECDRO COC[C@@H](CC[NH2+]Cc1cc(Cl)cc(C)c1O)OC ZINC000826839038 635857425 /nfs/dbraw/zinc/85/74/25/635857425.db2.gz NPXHYOYAOZAOPD-CYBMUJFWSA-N 1 0 287.787 2.495 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]C3CC(OC)C3)C2)cc1 ZINC000826846092 635859351 /nfs/dbraw/zinc/85/93/51/635859351.db2.gz PMZRWGLJYCIFSG-FUJMWEONSA-N 1 0 276.380 2.041 20 10 CECDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cccc(C)c2O)C1 ZINC000826902017 635876245 /nfs/dbraw/zinc/87/62/45/635876245.db2.gz GTGZSVWYHZWYDW-NUEKZKHPSA-N 1 0 293.407 2.356 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000827244451 636266955 /nfs/dbraw/zinc/26/69/55/636266955.db2.gz XCEKXGROIDAKOJ-KGLIPLIRSA-N 1 0 299.317 2.305 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1 ZINC000827687629 636391579 /nfs/dbraw/zinc/39/15/79/636391579.db2.gz SBQPZBLCENUGIV-AWEZNQCLSA-N 1 0 290.407 2.437 20 10 CECDRO C[NH+](C)CCC[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000827855791 636443523 /nfs/dbraw/zinc/44/35/23/636443523.db2.gz IMYIJJYVLCLMFN-OAHLLOKOSA-N 1 0 296.386 2.074 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)C2(CO)CCC2)c1 ZINC000827903622 636456831 /nfs/dbraw/zinc/45/68/31/636456831.db2.gz MADMYGNVXCMMTC-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO C[C@@H](NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1ccccc1O ZINC000827936717 636464193 /nfs/dbraw/zinc/46/41/93/636464193.db2.gz AYZPMLQHZYLOLQ-RWMBFGLXSA-N 1 0 276.380 2.442 20 10 CECDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876512471 650297679 /nfs/dbraw/zinc/29/76/79/650297679.db2.gz PFSSOCFQTGMSNU-CQSZACIVSA-N 1 0 276.380 2.049 20 10 CECDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000830352360 637046293 /nfs/dbraw/zinc/04/62/93/637046293.db2.gz LTHPLUDMKMUTRT-AWEZNQCLSA-N 1 0 250.386 2.264 20 10 CECDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000831150171 637239489 /nfs/dbraw/zinc/23/94/89/637239489.db2.gz HDADPTWZZRHCNC-YNEHKIRRSA-N 1 0 292.427 2.239 20 10 CECDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCc2ccccc21 ZINC000876547675 650318663 /nfs/dbraw/zinc/31/86/63/650318663.db2.gz GMMASCGZASPCIN-WSROAFLRSA-N 1 0 256.349 2.132 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC2CCC2)cc1 ZINC000832267093 637528715 /nfs/dbraw/zinc/52/87/15/637528715.db2.gz MVOVYFHYFBFSQN-OAHLLOKOSA-N 1 0 275.396 2.059 20 10 CECDRO CC/C=C(/C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279246 637531698 /nfs/dbraw/zinc/53/16/98/637531698.db2.gz HWRBPGXYAZHCIG-GIXCSOPHSA-N 1 0 275.396 2.225 20 10 CECDRO CCN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)cc1 ZINC000832716890 637651616 /nfs/dbraw/zinc/65/16/16/637651616.db2.gz AQNUHFZLPMLLOX-XJKSGUPXSA-N 1 0 262.397 2.345 20 10 CECDRO COCCC[N@H+](CCOC)Cc1c(C)cccc1O ZINC000876626724 650365436 /nfs/dbraw/zinc/36/54/36/650365436.db2.gz GSKJHSAGMDONOT-UHFFFAOYSA-N 1 0 267.369 2.186 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCN(CC(F)F)CC1 ZINC000876642663 650371712 /nfs/dbraw/zinc/37/17/12/650371712.db2.gz IPNCOTDGNUDZMY-UHFFFAOYSA-N 1 0 270.323 2.083 20 10 CECDRO CCc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)[nH]n1 ZINC000834585169 637881265 /nfs/dbraw/zinc/88/12/65/637881265.db2.gz HYLRPIVKJAFQNF-ZDUSSCGKSA-N 1 0 257.337 2.455 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000834842968 637967690 /nfs/dbraw/zinc/96/76/90/637967690.db2.gz DVLSWJOGYAVBPJ-CZUORRHYSA-N 1 0 280.412 2.191 20 10 CECDRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000834844942 637968240 /nfs/dbraw/zinc/96/82/40/637968240.db2.gz WILMXXGOOMYBDD-DOMZBBRYSA-N 1 0 267.369 2.139 20 10 CECDRO C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(F)ccc1O ZINC000834892243 637980318 /nfs/dbraw/zinc/98/03/18/637980318.db2.gz QUQDFQSLFZAMOR-FPMFFAJLSA-N 1 0 294.370 2.045 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)CC(=O)NC)c1ccc(N(C)C)cc1 ZINC000834900228 637981597 /nfs/dbraw/zinc/98/15/97/637981597.db2.gz ODPRNUPBIPPZQB-SWLSCSKDSA-N 1 0 277.412 2.318 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1 ZINC000834906344 637984003 /nfs/dbraw/zinc/98/40/03/637984003.db2.gz DGONNEQMEPCXSS-VHDGCEQUSA-N 1 0 289.423 2.447 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cnc(C)cn2)c1 ZINC000834908368 637985175 /nfs/dbraw/zinc/98/51/75/637985175.db2.gz JEYTXBPDYROBQM-GFCCVEGCSA-N 1 0 287.363 2.393 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)cc1 ZINC000834910078 637985853 /nfs/dbraw/zinc/98/58/53/637985853.db2.gz VLVVSDOIMQDZSG-GUYCJALGSA-N 1 0 289.423 2.462 20 10 CECDRO CCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCO ZINC000835025261 638029561 /nfs/dbraw/zinc/02/95/61/638029561.db2.gz HDZQBTMJAFSCGS-AATRIKPKSA-N 1 0 262.397 2.470 20 10 CECDRO C[C@H](C[S@](C)=O)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835047793 638037751 /nfs/dbraw/zinc/03/77/51/638037751.db2.gz JSARNEGJSVJADO-UQVSHCNZSA-N 1 0 280.437 2.122 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@H+](C)C2CC(O)C2)cc1 ZINC000835047840 638038075 /nfs/dbraw/zinc/03/80/75/638038075.db2.gz LLPWLYFPIPIGJL-SNAWJCMRSA-N 1 0 260.381 2.221 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@H](O)C2CC2)cc1 ZINC000835054241 638040947 /nfs/dbraw/zinc/04/09/47/638040947.db2.gz TXAXTHTWRGPTFW-CHYADLBTSA-N 1 0 274.408 2.469 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2O)c1O ZINC000835079930 638051423 /nfs/dbraw/zinc/05/14/23/638051423.db2.gz GXROEVQMUBNUGT-VXGBXAGGSA-N 1 0 255.745 2.357 20 10 CECDRO Oc1ccc(Cl)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000126091760 650394355 /nfs/dbraw/zinc/39/43/55/650394355.db2.gz TZSOZNQGAMTQQY-UHFFFAOYSA-N 1 0 283.755 2.385 20 10 CECDRO Cc1ccc2c(c1)OCCN2C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876669818 650391969 /nfs/dbraw/zinc/39/19/69/650391969.db2.gz YXTPQXFGHSJVED-BRLPQQTGSA-N 1 0 286.375 2.276 20 10 CECDRO CC[NH2+][C@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000876728456 650411883 /nfs/dbraw/zinc/41/18/83/650411883.db2.gz MJUXOPQEIVMTON-CYBMUJFWSA-N 1 0 277.412 2.147 20 10 CECDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000876756218 650422371 /nfs/dbraw/zinc/42/23/71/650422371.db2.gz QWLMDMFMIXFEKI-LBPRGKRZSA-N 1 0 295.402 2.286 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000876782390 650429115 /nfs/dbraw/zinc/42/91/15/650429115.db2.gz PWHZJVMPAXPKBV-OAHLLOKOSA-N 1 0 291.391 2.471 20 10 CECDRO CCN(C(=O)C1=CCC[NH2+]CC1)c1ccc(OC)cc1 ZINC000912276277 638637436 /nfs/dbraw/zinc/63/74/36/638637436.db2.gz IZPYWFAPYOJNQO-UHFFFAOYSA-N 1 0 274.364 2.358 20 10 CECDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(C)cccc2O)C1 ZINC000876816167 650444888 /nfs/dbraw/zinc/44/48/88/650444888.db2.gz WDWRGMBCOFQJIS-AWEZNQCLSA-N 1 0 276.380 2.001 20 10 CECDRO COc1cc(C)cc(C[NH+]2CCSCC2)c1O ZINC000164118905 639347267 /nfs/dbraw/zinc/34/72/67/639347267.db2.gz LZQWUFRQMKVOIE-UHFFFAOYSA-N 1 0 253.367 2.258 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]Cc1ncc[nH]1 ZINC000226212583 639529813 /nfs/dbraw/zinc/52/98/13/639529813.db2.gz YJNMFFXUCBIMPY-UHFFFAOYSA-N 1 0 282.141 2.168 20 10 CECDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1nnc2ccccn21 ZINC000226583466 639554860 /nfs/dbraw/zinc/55/48/60/639554860.db2.gz JIHQINSLSCPVTH-JTQLQIEISA-N 1 0 286.310 2.425 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCS(=O)(=O)C2CC2)c(O)c1 ZINC000840885783 639572740 /nfs/dbraw/zinc/57/27/40/639572740.db2.gz YULASPVZNGCYGM-LBPRGKRZSA-N 1 0 297.420 2.237 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840908118 639576242 /nfs/dbraw/zinc/57/62/42/639576242.db2.gz UGKMXUALJLNAKC-UHFFFAOYSA-N 1 0 284.787 2.216 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2(C)COC2)c(Cl)c1 ZINC000840898487 639576401 /nfs/dbraw/zinc/57/64/01/639576401.db2.gz KXUUWRMXHIUGCB-UHFFFAOYSA-N 1 0 255.745 2.480 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2C=C[C@H](CO)C2)c(Cl)c1 ZINC000840908927 639581177 /nfs/dbraw/zinc/58/11/77/639581177.db2.gz LXQHGRVDJRRDQX-WDEREUQCSA-N 1 0 267.756 2.381 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000840908801 639581200 /nfs/dbraw/zinc/58/12/00/639581200.db2.gz JWUYKYFEKVTYHK-LLVKDONJSA-N 1 0 296.798 2.455 20 10 CECDRO CC[NH+]1CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840908544 639581526 /nfs/dbraw/zinc/58/15/26/639581526.db2.gz SRQMBBUVMZPUPN-UHFFFAOYSA-N 1 0 268.788 2.492 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCn1cccn1 ZINC000840928694 639589246 /nfs/dbraw/zinc/58/92/46/639589246.db2.gz FPMAKLXUJHIVAU-UHFFFAOYSA-N 1 0 272.396 2.437 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](n3cncn3)C2)c(Cl)c1 ZINC000840937508 639592845 /nfs/dbraw/zinc/59/28/45/639592845.db2.gz ICVWLUGBPIKJCU-NSHDSACASA-N 1 0 292.770 2.393 20 10 CECDRO COCCOCC[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840946878 639597465 /nfs/dbraw/zinc/59/74/65/639597465.db2.gz PWQSKMDFNJVPEA-UHFFFAOYSA-N 1 0 287.787 2.449 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2ccn(CC)n2)c1 ZINC000840955952 639599879 /nfs/dbraw/zinc/59/98/79/639599879.db2.gz CLJFIKPDNLLQAM-UHFFFAOYSA-N 1 0 275.352 2.297 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c(Cl)c1 ZINC000840957143 639601373 /nfs/dbraw/zinc/60/13/73/639601373.db2.gz GBDMVURMVGTDFC-NSHDSACASA-N 1 0 296.798 2.264 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc1OC ZINC000840963974 639602636 /nfs/dbraw/zinc/60/26/36/639602636.db2.gz PSINRNLSTQPAPH-TUAOUCFPSA-N 1 0 295.379 2.313 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)[C@@H](O)C(C)C ZINC000840967403 639603713 /nfs/dbraw/zinc/60/37/13/639603713.db2.gz MNXRKSHVFJWBCE-WBMJQRKESA-N 1 0 297.395 2.295 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)c(O)c1 ZINC000840977051 639607506 /nfs/dbraw/zinc/60/75/06/639607506.db2.gz FQYHPWGZOQPXSW-JSGCOSHPSA-N 1 0 279.380 2.432 20 10 CECDRO CC(C)C[C@@H]([NH3+])CN(C)c1ccc2c(c1)OCO2 ZINC000841011981 639617605 /nfs/dbraw/zinc/61/76/05/639617605.db2.gz WAHHBGLXBPEGCT-LLVKDONJSA-N 1 0 250.342 2.225 20 10 CECDRO CCOc1cccc(CNC[C@@H]2CCCC[NH2+]2)c1O ZINC000841033373 639625109 /nfs/dbraw/zinc/62/51/09/639625109.db2.gz SESBBQDESRCZGS-ZDUSSCGKSA-N 1 0 264.369 2.023 20 10 CECDRO C[NH2+]CCNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000841035445 639627502 /nfs/dbraw/zinc/62/75/02/639627502.db2.gz GGIRGEHXTKLOLU-UHFFFAOYSA-N 1 0 275.318 2.080 20 10 CECDRO [NH3+][C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000841049636 639632562 /nfs/dbraw/zinc/63/25/62/639632562.db2.gz MNGPNBYNOWFCNC-LLVKDONJSA-N 1 0 258.724 2.012 20 10 CECDRO COc1cc(Cl)cc(CN[C@@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841059171 639636580 /nfs/dbraw/zinc/63/65/80/639636580.db2.gz LZRFHCVFRABZOR-BXKDBHETSA-N 1 0 284.787 2.142 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841058864 639636793 /nfs/dbraw/zinc/63/67/93/639636793.db2.gz WPIPDIFDATYRJN-LLVKDONJSA-N 1 0 254.761 2.277 20 10 CECDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH2+]1 ZINC000841060716 639636841 /nfs/dbraw/zinc/63/68/41/639636841.db2.gz BLOIJMGDTSCYFY-GZMMTYOYSA-N 1 0 299.758 2.184 20 10 CECDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1cc(Cl)ccc1O ZINC000841059226 639636980 /nfs/dbraw/zinc/63/69/80/639636980.db2.gz NQFIGLQRCWZJMH-CABZTGNLSA-N 1 0 254.761 2.133 20 10 CECDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1cc(Cl)ccc1O ZINC000841059225 639637239 /nfs/dbraw/zinc/63/72/39/639637239.db2.gz NQFIGLQRCWZJMH-BXKDBHETSA-N 1 0 254.761 2.133 20 10 CECDRO COc1cc(Cl)cc(CN[C@@H]2CCC[NH2+][C@@H]2C)c1O ZINC000841064606 639639524 /nfs/dbraw/zinc/63/95/24/639639524.db2.gz ZOGDIARXPYCDTJ-BXKDBHETSA-N 1 0 284.787 2.284 20 10 CECDRO COC[C@@]1(CNCc2c(O)cc(C)cc2Cl)CCC[NH2+]1 ZINC000841067091 639642739 /nfs/dbraw/zinc/64/27/39/639642739.db2.gz KAKLEPPOBWDIGK-HNNXBMFYSA-N 1 0 298.814 2.212 20 10 CECDRO CN(C)c1ccc(/C=C/CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000841077864 639647465 /nfs/dbraw/zinc/64/74/65/639647465.db2.gz DXAVLWDSYWZTAB-WCYDHSITSA-N 1 0 277.387 2.055 20 10 CECDRO [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000841085223 639650766 /nfs/dbraw/zinc/65/07/66/639650766.db2.gz XBVLPBPKDYZOFL-IUCAKERBSA-N 1 0 272.751 2.402 20 10 CECDRO CN(C)c1ccc(CN[C@@H](C[NH3+])C(C)(C)C)cc1F ZINC000841086961 639652259 /nfs/dbraw/zinc/65/22/59/639652259.db2.gz FZIJJQPSYFMCDN-AWEZNQCLSA-N 1 0 267.392 2.355 20 10 CECDRO Oc1cccc(Cl)c1CNCCC[NH2+]C1CC1 ZINC000841092016 639654569 /nfs/dbraw/zinc/65/45/69/639654569.db2.gz JNQIGKNGMNTJDL-UHFFFAOYSA-N 1 0 254.761 2.277 20 10 CECDRO COc1cccc(C[NH2+]CCc2nc(C)cs2)c1O ZINC000060942043 639663621 /nfs/dbraw/zinc/66/36/21/639663621.db2.gz DZDKGQBHWZLSFL-UHFFFAOYSA-N 1 0 278.377 2.498 20 10 CECDRO C[C@H](CO)CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000230160444 639744562 /nfs/dbraw/zinc/74/45/62/639744562.db2.gz YNPUQUMMDCVLCU-HNNXBMFYSA-N 1 0 292.423 2.021 20 10 CECDRO CN(C(=O)c1cccc(O)c1O)C(C)(C)C[NH+]1CCCC1 ZINC000841468051 639770124 /nfs/dbraw/zinc/77/01/24/639770124.db2.gz RBOOOKVMNVIUIE-UHFFFAOYSA-N 1 0 292.379 2.044 20 10 CECDRO CCn1cnnc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000230658819 639780160 /nfs/dbraw/zinc/78/01/60/639780160.db2.gz QDXRFDVGQTYNHB-NSHDSACASA-N 1 0 260.341 2.163 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(CC(F)F)C2)c1 ZINC000841893678 639901330 /nfs/dbraw/zinc/90/13/30/639901330.db2.gz HVLGJXCOMRNFQP-LBPRGKRZSA-N 1 0 270.323 2.130 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841965789 639912653 /nfs/dbraw/zinc/91/26/53/639912653.db2.gz KGHYOMMSTYNWSZ-CQSZACIVSA-N 1 0 291.395 2.051 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](C)[NH3+])cc1 ZINC000841985303 639915955 /nfs/dbraw/zinc/91/59/55/639915955.db2.gz GZSXZUDJXZZGJG-ZDUSSCGKSA-N 1 0 292.427 2.021 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1 ZINC000877045115 650545044 /nfs/dbraw/zinc/54/50/44/650545044.db2.gz QDMODHQCBQBQPY-UKRRQHHQSA-N 1 0 290.407 2.437 20 10 CECDRO Cc1ccc(C[NH2+]CCCOC2CCOCC2)c(O)c1 ZINC000877056158 650551691 /nfs/dbraw/zinc/55/16/91/650551691.db2.gz ZWHVPDYWZNOFAK-UHFFFAOYSA-N 1 0 279.380 2.376 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000877060216 650553664 /nfs/dbraw/zinc/55/36/64/650553664.db2.gz VJKNXPCRBRDSPD-AWEZNQCLSA-N 1 0 279.380 2.233 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2OC)[C@@H]1SC ZINC000842767414 640175018 /nfs/dbraw/zinc/17/50/18/640175018.db2.gz SYEGZPLMSWCULT-DFBGVHRSSA-N 1 0 297.420 2.399 20 10 CECDRO CC[C@H]([NH2+]CCc1cn(C)cn1)c1ccccc1O ZINC000313267519 640197971 /nfs/dbraw/zinc/19/79/71/640197971.db2.gz KLJHMVZCTMEFHZ-AWEZNQCLSA-N 1 0 259.353 2.409 20 10 CECDRO CN(C(=O)[C@H]1CCCC[C@]1(C)[NH3+])c1ccc(N)cc1 ZINC000877077718 650561937 /nfs/dbraw/zinc/56/19/37/650561937.db2.gz RYYSTDNWEAJENN-HIFRSBDPSA-N 1 0 261.369 2.139 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CCC([NH3+])CC2)cc1 ZINC000843047106 640251227 /nfs/dbraw/zinc/25/12/27/640251227.db2.gz GYAJPHBCKXUDLQ-ARJAWSKDSA-N 1 0 259.397 2.189 20 10 CECDRO C[C@@H]1C[NH2+]CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000843047790 640253103 /nfs/dbraw/zinc/25/31/03/640253103.db2.gz VIHHOHRNXOTLHE-ISZGNANSSA-N 1 0 259.397 2.060 20 10 CECDRO Cc1cc(Cl)cc(CN(C)[C@H]2CC[NH2+]C2)c1O ZINC000843049937 640253900 /nfs/dbraw/zinc/25/39/00/640253900.db2.gz ZBVJWTLLVNIKPZ-LBPRGKRZSA-N 1 0 254.761 2.148 20 10 CECDRO C[NH2+]C[C@H]1CCN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000843052152 640254896 /nfs/dbraw/zinc/25/48/96/640254896.db2.gz IKSRMJXLEZDEBJ-LLVKDONJSA-N 1 0 268.788 2.395 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843054569 640257634 /nfs/dbraw/zinc/25/76/34/640257634.db2.gz UDCPUSXRXFRNOS-CVEARBPZSA-N 1 0 273.424 2.387 20 10 CECDRO C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843056810 640258861 /nfs/dbraw/zinc/25/88/61/640258861.db2.gz AICTXFDFMZVADI-RKDXNWHRSA-N 1 0 272.751 2.354 20 10 CECDRO CCn1nccc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058650 640261731 /nfs/dbraw/zinc/26/17/31/640261731.db2.gz ZFJACDXEXMCZRN-UHFFFAOYSA-N 1 0 270.380 2.315 20 10 CECDRO CCOc1ccc(O)c(CN2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000843105195 640282708 /nfs/dbraw/zinc/28/27/08/640282708.db2.gz QBVROVALJSKNFB-OAHLLOKOSA-N 1 0 278.396 2.221 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CC[NH2+]C2)c1O ZINC000843351541 640399785 /nfs/dbraw/zinc/39/97/85/640399785.db2.gz NYOHDZBFIJJKCU-LBPRGKRZSA-N 1 0 282.771 2.042 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H](C)[C@@H]2C[NH3+])c1O ZINC000843353399 640400509 /nfs/dbraw/zinc/40/05/09/640400509.db2.gz HIPLHNNOIJZURT-BONVTDFDSA-N 1 0 294.370 2.293 20 10 CECDRO c1cc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc2c1OCC2 ZINC000914433876 640404943 /nfs/dbraw/zinc/40/49/43/640404943.db2.gz XRZKOEBHNWSAJE-GJZGRUSLSA-N 1 0 259.349 2.136 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000914435589 640407057 /nfs/dbraw/zinc/40/70/57/640407057.db2.gz HSEDXUDQEZWFJI-CHWSQXEVSA-N 1 0 251.301 2.046 20 10 CECDRO CCC[N@H+](Cc1cc(OC)ccc1O)[C@H]1CCN(C)C1 ZINC000843422818 640424388 /nfs/dbraw/zinc/42/43/88/640424388.db2.gz SUUVEEJIRUKAIN-AWEZNQCLSA-N 1 0 278.396 2.317 20 10 CECDRO CN1CCCc2cc(C[NH2+]C[C@H]3COC(C)(C)O3)ccc21 ZINC000230207053 640476255 /nfs/dbraw/zinc/47/62/55/640476255.db2.gz WKYOVAXLFRSJMO-HNNXBMFYSA-N 1 0 290.407 2.310 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000844401155 640708517 /nfs/dbraw/zinc/70/85/17/640708517.db2.gz KPNVVOKLYLVELS-HNNXBMFYSA-N 1 0 292.423 2.490 20 10 CECDRO COC(=O)[C@H](C)C[N@H+](Cc1ccc(C)cc1O)C1CC1 ZINC000877171085 650608513 /nfs/dbraw/zinc/60/85/13/650608513.db2.gz YQAVRZDZBXDWBI-GFCCVEGCSA-N 1 0 277.364 2.474 20 10 CECDRO O=C1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)CN1C1CC1 ZINC000846075557 641174376 /nfs/dbraw/zinc/17/43/76/641174376.db2.gz SARBTLSZHXKUFS-JTQLQIEISA-N 1 0 294.782 2.146 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)N(C)C)c1O ZINC000846136122 641197637 /nfs/dbraw/zinc/19/76/37/641197637.db2.gz GYIQZNUZEHFGPM-NSHDSACASA-N 1 0 266.385 2.392 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCCn2cccn2)c1O ZINC000846139757 641197898 /nfs/dbraw/zinc/19/78/98/641197898.db2.gz YZUNNLVJFLYPSR-LBPRGKRZSA-N 1 0 275.352 2.338 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1O ZINC000846142580 641198992 /nfs/dbraw/zinc/19/89/92/641198992.db2.gz ATWPFCQRXLMCDI-STQMWFEESA-N 1 0 295.379 2.247 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1O ZINC000846142578 641199222 /nfs/dbraw/zinc/19/92/22/641199222.db2.gz ATWPFCQRXLMCDI-OLZOCXBDSA-N 1 0 295.379 2.247 20 10 CECDRO COC[C@H](C)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846147063 641202158 /nfs/dbraw/zinc/20/21/58/641202158.db2.gz VIDNGIXKICSSIG-MNOVXSKESA-N 1 0 253.342 2.334 20 10 CECDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148218 641203072 /nfs/dbraw/zinc/20/30/72/641203072.db2.gz YDSRANTUMRSIPH-HZMBPMFUSA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCCc2nc(C)no2)c1O ZINC000846150320 641203514 /nfs/dbraw/zinc/20/35/14/641203514.db2.gz YOWAVYXWUOSGLO-SNVBAGLBSA-N 1 0 291.351 2.376 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCc2ccnn2C)c1O ZINC000846161716 641207820 /nfs/dbraw/zinc/20/78/20/641207820.db2.gz BNISUCXSGWIZHY-NSHDSACASA-N 1 0 275.352 2.028 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC[C@H]2CCOC2)c1O ZINC000846162716 641207960 /nfs/dbraw/zinc/20/79/60/641207960.db2.gz JDDOXGMMWQPCBP-NEPJUHHUSA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)c1O ZINC000846165009 641209638 /nfs/dbraw/zinc/20/96/38/641209638.db2.gz KDYDLIHQGJXIOL-SDDRHHMPSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCn3ccnc32)c1O ZINC000846168500 641210162 /nfs/dbraw/zinc/21/01/62/641210162.db2.gz AEWDQBWZPYVFHV-PWSUYJOCSA-N 1 0 273.336 2.393 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC[C@H](C)CCO)c1O ZINC000846169660 641210256 /nfs/dbraw/zinc/21/02/56/641210256.db2.gz JLHFLOGIMWUNEF-RYUDHWBXSA-N 1 0 267.369 2.460 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCC[C@H](C)O)c1O ZINC000846169291 641210439 /nfs/dbraw/zinc/21/04/39/641210439.db2.gz ZSTJJDRIDMZXIC-QWRGUYRKSA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@@H]2OC)c1O ZINC000846170737 641211564 /nfs/dbraw/zinc/21/15/64/641211564.db2.gz ZFANGVDXMVWEAY-HUBLWGQQSA-N 1 0 295.379 2.103 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc2ccccc2c1O ZINC000846189396 641217353 /nfs/dbraw/zinc/21/73/53/641217353.db2.gz KVKKEINFQAJLKI-WCFLWFBJSA-N 1 0 284.359 2.460 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(C)cc1O ZINC000846207177 641222281 /nfs/dbraw/zinc/22/22/81/641222281.db2.gz ZJKPWZVJEVNCEZ-CQSZACIVSA-N 1 0 276.380 2.364 20 10 CECDRO CCN1C[C@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000846209989 641223408 /nfs/dbraw/zinc/22/34/08/641223408.db2.gz VFSILPSFIRXPDK-KBPBESRZSA-N 1 0 289.423 2.272 20 10 CECDRO C[C@@H](NC(=O)C1([NH3+])CC2(CCC2)C1)c1ccccc1O ZINC000877256332 650644120 /nfs/dbraw/zinc/64/41/20/650644120.db2.gz SPVIYWLGYSXCGM-LLVKDONJSA-N 1 0 274.364 2.231 20 10 CECDRO CC(C)C[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000179886456 641392003 /nfs/dbraw/zinc/39/20/03/641392003.db2.gz RQBDUTGUBYJUIE-UHFFFAOYSA-N 1 0 266.360 2.305 20 10 CECDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877322716 650675491 /nfs/dbraw/zinc/67/54/91/650675491.db2.gz CCHBKYJHWDKALZ-VXGBXAGGSA-N 1 0 265.353 2.378 20 10 CECDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877323472 650676137 /nfs/dbraw/zinc/67/61/37/650676137.db2.gz PHEITDSTJSQNEF-NWDGAFQWSA-N 1 0 265.353 2.378 20 10 CECDRO Cc1cccc(C[NH2+]Cc2ccc(CO)cc2)c1O ZINC000227458760 641684511 /nfs/dbraw/zinc/68/45/11/641684511.db2.gz YZJBUKMUVMGJPU-UHFFFAOYSA-N 1 0 257.333 2.483 20 10 CECDRO CNC(=O)c1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000071406298 641757951 /nfs/dbraw/zinc/75/79/51/641757951.db2.gz HQJBEMNFNAAFRI-UHFFFAOYSA-N 1 0 284.359 2.350 20 10 CECDRO C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccccc1O ZINC000183525317 641760780 /nfs/dbraw/zinc/76/07/80/641760780.db2.gz YSWSEWDWNTZPGL-KBPBESRZSA-N 1 0 279.380 2.486 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCc2ccnn2C)c(O)c1 ZINC000184011868 641827063 /nfs/dbraw/zinc/82/70/63/641827063.db2.gz YSCXWGHXWKTVSJ-LBPRGKRZSA-N 1 0 259.353 2.327 20 10 CECDRO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(C)cc1O ZINC000877415980 650713523 /nfs/dbraw/zinc/71/35/23/650713523.db2.gz FNZYRKQRPCDCCQ-TZMCWYRMSA-N 1 0 277.364 2.474 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)c(O)c1 ZINC000185777969 642028421 /nfs/dbraw/zinc/02/84/21/642028421.db2.gz VTLQAJOYQAJSDL-BBRMVZONSA-N 1 0 279.380 2.140 20 10 CECDRO Cn1c(Cl)ncc1C[NH2+]Cc1ccccc1O ZINC000848533544 642039611 /nfs/dbraw/zinc/03/96/11/642039611.db2.gz RUKFUPCJEVGHFX-UHFFFAOYSA-N 1 0 251.717 2.069 20 10 CECDRO C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1ccccc1O ZINC000848557410 642052385 /nfs/dbraw/zinc/05/23/85/642052385.db2.gz JSOCVNZBEIDQRM-MFKMUULPSA-N 1 0 288.351 2.213 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)c1 ZINC000848565218 642056937 /nfs/dbraw/zinc/05/69/37/642056937.db2.gz VEYJTJQDHDLMPD-NEPJUHHUSA-N 1 0 286.379 2.037 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)c(O)c1 ZINC000186048509 642060190 /nfs/dbraw/zinc/06/01/90/642060190.db2.gz OURVUZKTSGGDDQ-OCCSQVGLSA-N 1 0 276.380 2.361 20 10 CECDRO CN(C)c1ccc(/C=C\CN[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000848714917 642109495 /nfs/dbraw/zinc/10/94/95/642109495.db2.gz XAYJIXRCAKZDIA-SCOBNMCVSA-N 1 0 287.329 2.245 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@@H]2CCCCNC2=O)c1O ZINC000848884746 642170019 /nfs/dbraw/zinc/17/00/19/642170019.db2.gz JNMPSHTZCWSPRA-CQSZACIVSA-N 1 0 276.380 2.055 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@](F)(C(=O)OC)C2)c1O ZINC000848891505 642174194 /nfs/dbraw/zinc/17/41/94/642174194.db2.gz ZIZOVCDDWUPAKF-OAHLLOKOSA-N 1 0 281.327 2.042 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)c1O ZINC000848890323 642174876 /nfs/dbraw/zinc/17/48/76/642174876.db2.gz SHKAAGZVHPIRPB-INIZCTEOSA-N 1 0 277.364 2.340 20 10 CECDRO CCc1cccc(C[NH2+]Cc2cccn(CC)c2=O)c1O ZINC000848907273 642183883 /nfs/dbraw/zinc/18/38/83/642183883.db2.gz KNQDLXFNWSGHBB-UHFFFAOYSA-N 1 0 286.375 2.426 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@H](C)CN2CCOCC2)c1O ZINC000848908032 642184292 /nfs/dbraw/zinc/18/42/92/642184292.db2.gz WRBRXFOKEFWSSD-CQSZACIVSA-N 1 0 292.423 2.107 20 10 CECDRO CCc1cccc(C[NH2+]CC2(COC)CCOCC2)c1O ZINC000848912706 642187254 /nfs/dbraw/zinc/18/72/54/642187254.db2.gz JEJMTSWHOOEUGL-UHFFFAOYSA-N 1 0 293.407 2.487 20 10 CECDRO CCc1cccc(C[NH2+][C@H](CC)[C@H](O)C(F)F)c1O ZINC000848916712 642189312 /nfs/dbraw/zinc/18/93/12/642189312.db2.gz WZPWTFZLKMPMFP-YPMHNXCESA-N 1 0 273.323 2.449 20 10 CECDRO [NH2+]=C(NCCc1cccs1)NCc1ccccc1O ZINC000849058121 642259306 /nfs/dbraw/zinc/25/93/06/642259306.db2.gz MDBHUCYQEKFDBD-UHFFFAOYSA-N 1 0 275.377 2.310 20 10 CECDRO COCC[C@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849321573 642327691 /nfs/dbraw/zinc/32/76/91/642327691.db2.gz IBSRQBPZOYQTFW-UONOGXRCSA-N 1 0 278.396 2.289 20 10 CECDRO Cc1ccc(C[N@H+](CCCO)Cc2ccccn2)c(O)c1 ZINC000877527514 650768674 /nfs/dbraw/zinc/76/86/74/650768674.db2.gz PGMBEIIPTWQAQY-UHFFFAOYSA-N 1 0 286.375 2.480 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3conc3C)C2)cc1 ZINC000850346722 642675530 /nfs/dbraw/zinc/67/55/30/642675530.db2.gz IPGULCQTCHOALN-AWEZNQCLSA-N 1 0 287.363 2.360 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H](C)n3ncnc32)c1 ZINC000850352101 642677276 /nfs/dbraw/zinc/67/72/76/642677276.db2.gz MIGMPIFZUVURDG-JQWIXIFHSA-N 1 0 258.325 2.088 20 10 CECDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccccc2O)C1 ZINC000850353968 642678547 /nfs/dbraw/zinc/67/85/47/642678547.db2.gz RCBHOTJBRHTHET-NWANDNLSSA-N 1 0 279.380 2.048 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000850356358 642680047 /nfs/dbraw/zinc/68/00/47/642680047.db2.gz OVIJNTMYTSYRMF-HTGLOVNISA-N 1 0 297.420 2.180 20 10 CECDRO C[C@@](CO)([NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000921828744 642699629 /nfs/dbraw/zinc/69/96/29/642699629.db2.gz VASKBXUTUBLROX-INIZCTEOSA-N 1 0 261.365 2.262 20 10 CECDRO CC[C@H]([NH2+]CCN(C)OC)c1ccc(N(C)C)cc1 ZINC000850479913 642727263 /nfs/dbraw/zinc/72/72/63/642727263.db2.gz FYLNWRJBZXUGHB-HNNXBMFYSA-N 1 0 265.401 2.287 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCSC3)C2)cc1 ZINC000850489938 642730558 /nfs/dbraw/zinc/73/05/58/642730558.db2.gz YMQXUNBGUSJFGN-CHWSQXEVSA-N 1 0 278.421 2.369 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ncc[nH]3)C2)cc1 ZINC000850489735 642731025 /nfs/dbraw/zinc/73/10/25/642731025.db2.gz WNNZYBOHZUTBLZ-OLZOCXBDSA-N 1 0 286.379 2.348 20 10 CECDRO C[C@@H]([NH2+]C/C=C\CO)c1cc(Br)ccc1O ZINC000850507858 642735238 /nfs/dbraw/zinc/73/52/38/642735238.db2.gz IJRGBSFOLWUEFH-PKRMOACSSA-N 1 0 286.169 2.354 20 10 CECDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000850530772 642743414 /nfs/dbraw/zinc/74/34/14/642743414.db2.gz CNPXLJGHJUHRLR-GXTWGEPZSA-N 1 0 296.386 2.084 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cc(F)ccc1O ZINC000850547817 642749288 /nfs/dbraw/zinc/74/92/88/642749288.db2.gz XDCPYHSDRBMQJT-HERUPUMHSA-N 1 0 265.328 2.485 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cc(F)ccc1O ZINC000850547815 642749528 /nfs/dbraw/zinc/74/95/28/642749528.db2.gz XDCPYHSDRBMQJT-CUOATXAZSA-N 1 0 265.328 2.485 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)OCCCO2 ZINC000877551692 650783198 /nfs/dbraw/zinc/78/31/98/650783198.db2.gz JYNVZMXYPCPQQK-UHFFFAOYSA-N 1 0 277.364 2.430 20 10 CECDRO C[S@](=O)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922099692 642879794 /nfs/dbraw/zinc/87/97/94/642879794.db2.gz MMRNVVBOLSIJMQ-IBGZPJMESA-N 1 0 279.405 2.012 20 10 CECDRO Cc1nnsc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922144741 642904433 /nfs/dbraw/zinc/90/44/33/642904433.db2.gz VVTMYTUNZUITRJ-UHFFFAOYSA-N 1 0 275.377 2.461 20 10 CECDRO COc1cc(O)c(C[NH2+]CC2(CO)CCCC2)cc1OC ZINC000186523130 642978648 /nfs/dbraw/zinc/97/86/48/642978648.db2.gz VDYMCHZDNDZHFT-UHFFFAOYSA-N 1 0 295.379 2.052 20 10 CECDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1c(O)cccc1F ZINC000922518193 643104344 /nfs/dbraw/zinc/10/43/44/643104344.db2.gz UEVMIGDAVCPCMF-NSHDSACASA-N 1 0 297.374 2.059 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[NH2+]C ZINC000851680090 643113456 /nfs/dbraw/zinc/11/34/56/643113456.db2.gz GBZNQSZODMWJMV-ZDUSSCGKSA-N 1 0 293.411 2.312 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](COC)OC ZINC000851791610 643164223 /nfs/dbraw/zinc/16/42/23/643164223.db2.gz DKHZZLITYCTCIL-AWEZNQCLSA-N 1 0 267.369 2.266 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCc2cc(C)n(C)n2)c1 ZINC000922689502 643205225 /nfs/dbraw/zinc/20/52/25/643205225.db2.gz JPXCJTVWXHBWSS-UHFFFAOYSA-N 1 0 289.379 2.165 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000877639128 650829595 /nfs/dbraw/zinc/82/95/95/650829595.db2.gz WJHZZPMLLVTNLK-AWEZNQCLSA-N 1 0 288.391 2.145 20 10 CECDRO COC[C@@H]([NH2+]Cc1cccc(OC)c1O)C(C)C ZINC000086695398 643378020 /nfs/dbraw/zinc/37/80/20/643378020.db2.gz DHGVJOCILVJUEG-GFCCVEGCSA-N 1 0 253.342 2.161 20 10 CECDRO CCOCCOCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000922945152 643469996 /nfs/dbraw/zinc/46/99/96/643469996.db2.gz ZSPVCNKYFHPQER-UHFFFAOYSA-N 1 0 287.787 2.497 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c1 ZINC000922950627 643475765 /nfs/dbraw/zinc/47/57/65/643475765.db2.gz OAIHJYNHLXMQPR-INIZCTEOSA-N 1 0 290.407 2.044 20 10 CECDRO CCC/C=C/C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792482 643553716 /nfs/dbraw/zinc/55/37/16/643553716.db2.gz XEVIEDZPDUWBHC-LFAOLKIESA-N 1 0 275.396 2.225 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1O ZINC000877693779 650854857 /nfs/dbraw/zinc/85/48/57/650854857.db2.gz QSEQFLOBQWCHAQ-UFBFGSQYSA-N 1 0 277.286 2.356 20 10 CECDRO CC1(C)C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877717796 650868958 /nfs/dbraw/zinc/86/89/58/650868958.db2.gz QOVUBQMHOKSKLX-UHFFFAOYSA-N 1 0 274.408 2.490 20 10 CECDRO C[N@H+](CC1=CCSC1)Cc1cc2c(cc1O)OCO2 ZINC000853618478 643833376 /nfs/dbraw/zinc/83/33/76/643833376.db2.gz FMRMBPJFVABMHK-UHFFFAOYSA-N 1 0 279.361 2.226 20 10 CECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C2 ZINC000877722713 650871144 /nfs/dbraw/zinc/87/11/44/650871144.db2.gz GIVJMRCFJJIOGN-KEYYUXOJSA-N 1 0 288.391 2.184 20 10 CECDRO CCOc1cccc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1O ZINC000877743510 650888878 /nfs/dbraw/zinc/88/88/78/650888878.db2.gz KWHPFIOUOMAFIH-DZGCQCFKSA-N 1 0 290.407 2.317 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2C[C@@H](OCC)C2)c(O)c1 ZINC000839147564 644157791 /nfs/dbraw/zinc/15/77/91/644157791.db2.gz NDJJLWKELZCBBN-XBXGTLAGSA-N 1 0 265.353 2.448 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000877758182 650899934 /nfs/dbraw/zinc/89/99/34/650899934.db2.gz LVXKAIMYSOWZSE-XKAARJIMSA-N 1 0 263.337 2.240 20 10 CECDRO CC[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839480264 644239900 /nfs/dbraw/zinc/23/99/00/644239900.db2.gz QDVMMFVFPITVPW-OAHLLOKOSA-N 1 0 289.423 2.243 20 10 CECDRO CN1CCC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000113328580 644355293 /nfs/dbraw/zinc/35/52/93/644355293.db2.gz OLFBEKRTHOMSFO-JTQLQIEISA-N 1 0 254.761 2.229 20 10 CECDRO COCCOCCCC[NH2+]Cc1cc(C)ccc1O ZINC000113331784 644355712 /nfs/dbraw/zinc/35/57/12/644355712.db2.gz NJISKSVHYMEQPA-UHFFFAOYSA-N 1 0 267.369 2.233 20 10 CECDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(C)c(O)c1O ZINC000856283057 644626935 /nfs/dbraw/zinc/62/69/35/644626935.db2.gz MFFZRWRADUZOFC-UHFFFAOYSA-N 1 0 294.395 2.256 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1 ZINC000756433541 644648951 /nfs/dbraw/zinc/64/89/51/644648951.db2.gz PWWHHUMLOBZVFJ-IAQYHMDHSA-N 1 0 278.396 2.392 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Cl)ccc1O ZINC000756510452 644656834 /nfs/dbraw/zinc/65/68/34/644656834.db2.gz IJYAJHXYSVULSO-GWCFXTLKSA-N 1 0 299.798 2.484 20 10 CECDRO COC[C@H](CCO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756595696 644673379 /nfs/dbraw/zinc/67/33/79/644673379.db2.gz YCRGDGJLMNGJND-NHCYSSNCSA-N 1 0 283.343 2.067 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)CC2CC2)c(O)c1 ZINC000756760209 644690506 /nfs/dbraw/zinc/69/05/06/644690506.db2.gz IWBSZWKENLUMKT-GFCCVEGCSA-N 1 0 297.420 2.176 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CC2(C)OCCO2)c2c1c(F)ccc2O ZINC000756779899 644691442 /nfs/dbraw/zinc/69/14/42/644691442.db2.gz NSDHUPOEWPAKGD-KOLCDFICSA-N 1 0 281.327 2.432 20 10 CECDRO CCCN(CC(=O)OCC)Cc1cc(C)cc(OC)c1O ZINC000756908711 644708910 /nfs/dbraw/zinc/70/89/10/644708910.db2.gz INQDZOZNMIFQRK-UHFFFAOYSA-N 1 0 295.379 2.484 20 10 CECDRO O=C(NC1CC[NH+](C2CCC2)CC1)C1=CC(=O)CS1 ZINC000839789095 644819231 /nfs/dbraw/zinc/81/92/31/644819231.db2.gz QEMQZXPLGBXGAF-UHFFFAOYSA-N 1 0 280.393 2.200 20 10 CECDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000757708299 644838655 /nfs/dbraw/zinc/83/86/55/644838655.db2.gz XIFJWPXWXXECMG-DYVFJYSZSA-N 1 0 273.424 2.325 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000857226261 644857948 /nfs/dbraw/zinc/85/79/48/644857948.db2.gz JKNSISBCRXUEKZ-DOTOQJQBSA-N 1 0 273.424 2.374 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000857226264 644858736 /nfs/dbraw/zinc/85/87/36/644858736.db2.gz JKNSISBCRXUEKZ-WBVHZDCISA-N 1 0 273.424 2.374 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)CC(F)F)cc1C ZINC000758614005 644945243 /nfs/dbraw/zinc/94/52/43/644945243.db2.gz FSZBHACWTQMGFJ-LLVKDONJSA-N 1 0 259.296 2.115 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2cncn2C)cc1 ZINC000857783083 644967720 /nfs/dbraw/zinc/96/77/20/644967720.db2.gz SGOREZVYOKJJJQ-PLNGDYQASA-N 1 0 284.407 2.332 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCN2C)cc1F ZINC000858109752 645063235 /nfs/dbraw/zinc/06/32/35/645063235.db2.gz WPHVABWHNLDWAJ-LBPRGKRZSA-N 1 0 283.366 2.215 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000858232489 645094689 /nfs/dbraw/zinc/09/46/89/645094689.db2.gz YYHPLZGHQCROSH-GFCCVEGCSA-N 1 0 270.323 2.211 20 10 CECDRO COc1cccc(O)c1C[NH2+]Cc1cccnc1C ZINC000858273979 645105560 /nfs/dbraw/zinc/10/55/60/645105560.db2.gz TYRGGBLBTUWOMO-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000858295515 645109778 /nfs/dbraw/zinc/10/97/78/645109778.db2.gz DYHNYQFTKFQIAB-XHDPSFHLSA-N 1 0 263.337 2.058 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c(O)c1 ZINC000858297405 645110422 /nfs/dbraw/zinc/11/04/22/645110422.db2.gz CWRYSAZZYQPLPV-CJNGLKHVSA-N 1 0 277.364 2.448 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCN(C)CC(F)F)c1 ZINC000858336999 645123928 /nfs/dbraw/zinc/12/39/28/645123928.db2.gz WUHFADGJYJJOGL-UHFFFAOYSA-N 1 0 288.338 2.077 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000858473495 645173376 /nfs/dbraw/zinc/17/33/76/645173376.db2.gz OTSCKBDMEWODIG-SKDRFNHKSA-N 1 0 279.311 2.444 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000760890358 645207444 /nfs/dbraw/zinc/20/74/44/645207444.db2.gz XDDAFZINNRVPCD-DIOULYMOSA-N 1 0 295.379 2.245 20 10 CECDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000858588228 645215256 /nfs/dbraw/zinc/21/52/56/645215256.db2.gz XNBBJGTUWVJCSB-FXPVBKGRSA-N 1 0 296.342 2.078 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](CCO)CC2CC2)c1O ZINC000761194710 645256115 /nfs/dbraw/zinc/25/61/15/645256115.db2.gz FQYQQSHZWHAPAZ-UHFFFAOYSA-N 1 0 285.771 2.259 20 10 CECDRO Cc1cc(CC[NH2+][C@H](C)CC(N)=O)c(C)n1-c1ccccc1 ZINC000761570642 645300183 /nfs/dbraw/zinc/30/01/83/645300183.db2.gz CQAPKYPCDNZGSV-CYBMUJFWSA-N 1 0 299.418 2.490 20 10 CECDRO COc1ccc(C[NH2+]C2(CCO)CCOCC2)cc1C ZINC000761993634 645346841 /nfs/dbraw/zinc/34/68/41/645346841.db2.gz JXQXTQPSEMQISF-UHFFFAOYSA-N 1 0 279.380 2.025 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cncc(OC)n2)c1 ZINC000859232184 645432010 /nfs/dbraw/zinc/43/20/10/645432010.db2.gz GJUBPKLCRGPOCT-JTQLQIEISA-N 1 0 289.335 2.050 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCO[C@](C)(COC)C2)cc1 ZINC000860203217 645736034 /nfs/dbraw/zinc/73/60/34/645736034.db2.gz ZHNFFTHNQMGXBL-KRWDZBQOSA-N 1 0 292.423 2.380 20 10 CECDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000765789093 645810185 /nfs/dbraw/zinc/81/01/85/645810185.db2.gz OWVSXOMMYYTSJM-GJZGRUSLSA-N 1 0 291.439 2.124 20 10 CECDRO CCCC[N@H+](CC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441275 646122554 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ZINC000769514544 646280578 /nfs/dbraw/zinc/28/05/78/646280578.db2.gz JDQSFATZBINQGO-BXUZGUMPSA-N 1 0 293.363 2.032 20 10 CECDRO CCOCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000769790064 646315799 /nfs/dbraw/zinc/31/57/99/646315799.db2.gz UHQOBAYFBBBMKR-XJKSGUPXSA-N 1 0 280.412 2.191 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770285915 646377389 /nfs/dbraw/zinc/37/73/89/646377389.db2.gz LSNBGXOZXUEVOH-GXTWGEPZSA-N 1 0 277.364 2.402 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1O ZINC000862253781 646383798 /nfs/dbraw/zinc/38/37/98/646383798.db2.gz SNIDHYFQROJIMU-BMIGLBTASA-N 1 0 284.350 2.234 20 10 CECDRO CCN(CC)c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000770395466 646387316 /nfs/dbraw/zinc/38/73/16/646387316.db2.gz RJJYZYDBFUNZMT-GJZGRUSLSA-N 1 0 291.414 2.323 20 10 CECDRO O=C(/C=C/c1ccc(O)c(O)c1)OCC[NH+]1CCCCC1 ZINC000770403738 646388741 /nfs/dbraw/zinc/38/87/41/646388741.db2.gz KBZBJUUFCLPZHC-FNORWQNLSA-N 1 0 291.347 2.140 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H]1CO ZINC000862336872 646403343 /nfs/dbraw/zinc/40/33/43/646403343.db2.gz MXJLPVKBOOVBDL-MEBBXXQBSA-N 1 0 284.350 2.234 20 10 CECDRO CN(C)c1cc(F)c(C[N@H+](CCO)C2CCC2)cc1F ZINC000862336546 646403458 /nfs/dbraw/zinc/40/34/58/646403458.db2.gz GLNDPVOMJCKBCV-UHFFFAOYSA-N 1 0 284.350 2.378 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000770745342 646434169 /nfs/dbraw/zinc/43/41/69/646434169.db2.gz GRVDJOIUNBTYMG-VXGBXAGGSA-N 1 0 265.353 2.306 20 10 CECDRO COC(=O)CC1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862400539 646439952 /nfs/dbraw/zinc/43/99/52/646439952.db2.gz ARDSKVAQOFUNJS-UHFFFAOYSA-N 1 0 298.333 2.216 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CC2(C)COC2)cc1F ZINC000862476482 646473427 /nfs/dbraw/zinc/47/34/27/646473427.db2.gz ALJRMIYQKCYUMR-UHFFFAOYSA-N 1 0 266.360 2.360 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000862469137 646473458 /nfs/dbraw/zinc/47/34/58/646473458.db2.gz ZNHSVMVIXGIBKB-LBPRGKRZSA-N 1 0 288.313 2.350 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](CO)CCC(C)C)c1 ZINC000862481118 646474559 /nfs/dbraw/zinc/47/45/59/646474559.db2.gz SHARPPBRMVUJHZ-ZDUSSCGKSA-N 1 0 267.369 2.288 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1OC ZINC000862529180 646484470 /nfs/dbraw/zinc/48/44/70/646484470.db2.gz HNHKMTZGACDCAR-JSGCOSHPSA-N 1 0 293.363 2.067 20 10 CECDRO CC[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000773101152 646706630 /nfs/dbraw/zinc/70/66/30/646706630.db2.gz ANZKKUGLAARCRC-SWLSCSKDSA-N 1 0 298.452 2.226 20 10 CECDRO COC[C@@]1(C)C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000863340815 646707656 /nfs/dbraw/zinc/70/76/56/646707656.db2.gz NLIRGHWXMKCHFM-QGZVFWFLSA-N 1 0 291.391 2.118 20 10 CECDRO COc1cc(Cl)cc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863485233 646740625 /nfs/dbraw/zinc/74/06/25/646740625.db2.gz WZAIUOALSRAKTD-BXKDBHETSA-N 1 0 284.787 2.284 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)C[C@H](C)C(=O)OC)cc1 ZINC000773728552 646770554 /nfs/dbraw/zinc/77/05/54/646770554.db2.gz DAUNONBCOULGRR-ZDUSSCGKSA-N 1 0 278.396 2.384 20 10 CECDRO Cc1cc(O)c(CN[C@@H]2CC[NH2+][C@H]2C)c(Cl)c1 ZINC000863651644 646777053 /nfs/dbraw/zinc/77/70/53/646777053.db2.gz DNLNOAHTJOOSHD-JOYOIKCWSA-N 1 0 254.761 2.194 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cc1 ZINC000773824873 646777327 /nfs/dbraw/zinc/77/73/27/646777327.db2.gz WJEOTDRQAVVKQC-CYBMUJFWSA-N 1 0 290.329 2.498 20 10 CECDRO COc1cc(C[N@@H+]2CCOCC[C@H]2C)c(O)cc1C ZINC000774661159 646874237 /nfs/dbraw/zinc/87/42/37/646874237.db2.gz VYNGGKTYBXOQNJ-GFCCVEGCSA-N 1 0 265.353 2.320 20 10 CECDRO COc1c(O)c(C[NH2+]Cc2ccoc2)ccc1[N+](=O)[O-] ZINC000774978452 646913043 /nfs/dbraw/zinc/91/30/43/646913043.db2.gz PSVILNLAUIXSHP-UHFFFAOYSA-N 1 0 278.264 2.192 20 10 CECDRO CCOc1ccc(C[NH2+][C@]2(CCOC)CCOC2)c(O)c1 ZINC000775035362 646917623 /nfs/dbraw/zinc/91/76/23/646917623.db2.gz YYCFALIWQSEUQK-MRXNPFEDSA-N 1 0 295.379 2.076 20 10 CECDRO COCC[C@]1([NH2+]Cc2cc(Cl)ccc2O)CCOC1 ZINC000775035256 646917831 /nfs/dbraw/zinc/91/78/31/646917831.db2.gz YEYRZCALURZOOR-AWEZNQCLSA-N 1 0 285.771 2.331 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC2OCCCO2)c1 ZINC000775372705 646946260 /nfs/dbraw/zinc/94/62/60/646946260.db2.gz GPFMSMCVTPMCQS-NSHDSACASA-N 1 0 281.352 2.205 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1 ZINC000775370590 646946634 /nfs/dbraw/zinc/94/66/34/646946634.db2.gz XAHZYVGHEBKTBZ-CHWSQXEVSA-N 1 0 278.396 2.393 20 10 CECDRO CC[C@@H]([NH2+]C[C@](C)(O)COC)c1cc(Cl)ccc1O ZINC000775504287 646961501 /nfs/dbraw/zinc/96/15/01/646961501.db2.gz XHFFVYLNBHNNHP-OCCSQVGLSA-N 1 0 287.787 2.484 20 10 CECDRO C[C@H]([NH2+]Cc1cc(=O)c(O)co1)c1ccc(N(C)C)cc1 ZINC000775832271 646997354 /nfs/dbraw/zinc/99/73/54/646997354.db2.gz XSAFWGSKOBRBOM-NSHDSACASA-N 1 0 288.347 2.262 20 10 CECDRO Cc1cccc(C[NH2+][C@@H](C)Cc2cnccn2)c1O ZINC000776065968 647019689 /nfs/dbraw/zinc/01/96/89/647019689.db2.gz MVSKWOFWPJLXSN-LBPRGKRZSA-N 1 0 257.337 2.211 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](C3CC3)C1)CCC2 ZINC000776770413 647088959 /nfs/dbraw/zinc/08/89/59/647088959.db2.gz AGEBZRNOOODEKT-QGZVFWFLSA-N 1 0 273.376 2.492 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](n3cncn3)C1)CCCC2 ZINC000776779192 647090297 /nfs/dbraw/zinc/09/02/97/647090297.db2.gz ZTGCAVCRZLMOOA-INIZCTEOSA-N 1 0 298.390 2.310 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCn3ccnc3C2)cc1F ZINC000778190070 647207467 /nfs/dbraw/zinc/20/74/67/647207467.db2.gz UYWIKLRXZJHDCO-ZDUSSCGKSA-N 1 0 288.370 2.193 20 10 CECDRO CCCC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000778999811 647280069 /nfs/dbraw/zinc/28/00/69/647280069.db2.gz KTFGIUUFUVZHJT-UHFFFAOYSA-N 1 0 276.380 2.273 20 10 CECDRO CC(C)[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)N1CCCC1 ZINC000779086066 647286676 /nfs/dbraw/zinc/28/66/76/647286676.db2.gz TXKPTYVIQUJPIM-HNNXBMFYSA-N 1 0 294.370 2.268 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000779149231 647291807 /nfs/dbraw/zinc/29/18/07/647291807.db2.gz CITHFFBHAUCQJF-OAHLLOKOSA-N 1 0 265.353 2.258 20 10 CECDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@H]1O ZINC000779199544 647295865 /nfs/dbraw/zinc/29/58/65/647295865.db2.gz DZALXAZLAWQBBJ-BXKDBHETSA-N 1 0 255.745 2.248 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2CCO)c(O)c1 ZINC000779203091 647297732 /nfs/dbraw/zinc/29/77/32/647297732.db2.gz YHNVPWRHLMENSY-CYBMUJFWSA-N 1 0 265.353 2.138 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@@H](CO)C3)CC2)cc1 ZINC000865662629 647413071 /nfs/dbraw/zinc/41/30/71/647413071.db2.gz CCLJUIIYVJTYFF-OTVXOJSOSA-N 1 0 290.407 2.025 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)cc1C ZINC000865712242 647435277 /nfs/dbraw/zinc/43/52/77/647435277.db2.gz YKZVYGXPLAGWPT-JOYOIKCWSA-N 1 0 277.286 2.405 20 10 CECDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000780891981 647477738 /nfs/dbraw/zinc/47/77/38/647477738.db2.gz FQTKSJZEJRFALO-TZMCWYRMSA-N 1 0 280.387 2.485 20 10 CECDRO COCC[N@H+](Cc1cc(C)c(C)cc1O)[C@H]1CCOC1 ZINC000782951546 647665157 /nfs/dbraw/zinc/66/51/57/647665157.db2.gz COJDPJWFKDNNLR-HNNXBMFYSA-N 1 0 279.380 2.246 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)c2c1c(F)ccc2O ZINC000866415921 647779474 /nfs/dbraw/zinc/77/94/74/647779474.db2.gz IKSAVTGBIUBVEL-SVDPJWKOSA-N 1 0 265.328 2.440 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC[C@@H](O)C(F)F)c1O ZINC000866442014 647788601 /nfs/dbraw/zinc/78/86/01/647788601.db2.gz BRVMZFBYTNFOSC-WCBMZHEXSA-N 1 0 275.295 2.068 20 10 CECDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000866463183 647795421 /nfs/dbraw/zinc/79/54/21/647795421.db2.gz KQJQQKOABFKFSC-OKTBNZSVSA-N 1 0 281.249 2.494 20 10 CECDRO CC[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1ccccc1O ZINC000784266646 647826171 /nfs/dbraw/zinc/82/61/71/647826171.db2.gz XIUZIJAYOJSMMZ-CYBMUJFWSA-N 1 0 287.367 2.030 20 10 CECDRO CCC[N@H+](CC)CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868381923 648113773 /nfs/dbraw/zinc/11/37/73/648113773.db2.gz YNLZZUHWUHIWJP-ZDUSSCGKSA-N 1 0 293.411 2.484 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1 ZINC000788379172 648178336 /nfs/dbraw/zinc/17/83/36/648178336.db2.gz UDLZGMXAUFUWMD-OAHLLOKOSA-N 1 0 292.423 2.162 20 10 CECDRO CCOc1ccc(C[NH2+]CCC[C@H](C)O)c(O)c1 ZINC000788524547 648198648 /nfs/dbraw/zinc/19/86/48/648198648.db2.gz RNFUIXRPHLYTOZ-NSHDSACASA-N 1 0 253.342 2.042 20 10 CECDRO CO[C@@]1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CCOC1 ZINC000788748761 648220174 /nfs/dbraw/zinc/22/01/74/648220174.db2.gz AJRKNGIZHQTDNV-CZUORRHYSA-N 1 0 279.380 2.465 20 10 CECDRO COc1ccc(N2CC[NH+](CCC[C@H](C)O)CC2)cc1F ZINC000789328556 648288138 /nfs/dbraw/zinc/28/81/38/648288138.db2.gz XMWZIWHHJMRNQI-ZDUSSCGKSA-N 1 0 296.386 2.117 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000790762183 648445304 /nfs/dbraw/zinc/44/53/04/648445304.db2.gz OPLQBBVUSVXUJV-TUAOUCFPSA-N 1 0 293.363 2.393 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000792199326 648623787 /nfs/dbraw/zinc/62/37/87/648623787.db2.gz DFWGVWFHVLDHDZ-DGCLKSJQSA-N 1 0 263.337 2.132 20 10 CECDRO CO[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)C[C@@H]1OC ZINC000792712950 648668054 /nfs/dbraw/zinc/66/80/54/648668054.db2.gz GHLBYVNPFKCUJX-CALCHBBNSA-N 1 0 291.391 2.117 20 10 CECDRO CC[C@@H](C(=O)NCc1ccc(OC)cc1O)[NH+](CC)CC ZINC000794378460 648859838 /nfs/dbraw/zinc/85/98/38/648859838.db2.gz ICPOTSNQCRFRDQ-AWEZNQCLSA-N 1 0 294.395 2.137 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870877936 648941025 /nfs/dbraw/zinc/94/10/25/648941025.db2.gz UKSHURPADOFNDY-KEYYUXOJSA-N 1 0 288.391 2.258 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c1 ZINC000870881692 648942460 /nfs/dbraw/zinc/94/24/60/648942460.db2.gz GVGYFTAFSWVTDW-UTUOFQBUSA-N 1 0 292.379 2.096 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1O ZINC000872113165 649281860 /nfs/dbraw/zinc/28/18/60/649281860.db2.gz MSEUUERGRHHXIP-NEPJUHHUSA-N 1 0 293.363 2.395 20 10 CECDRO CCCOc1ccc(C[NH2+]CCn2cncn2)cc1C ZINC000873026699 649535153 /nfs/dbraw/zinc/53/51/53/649535153.db2.gz NADGRFOTOQDBRR-UHFFFAOYSA-N 1 0 274.368 2.165 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@H]2CNC(=O)C2)cc1C ZINC000873131708 649565888 /nfs/dbraw/zinc/56/58/88/649565888.db2.gz XOPIAAWWESFPBD-AWEZNQCLSA-N 1 0 276.380 2.010 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)cc1C ZINC000873141742 649568078 /nfs/dbraw/zinc/56/80/78/649568078.db2.gz JUWBIQZZFZSKTO-WBVHZDCISA-N 1 0 293.407 2.413 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2cc(C)ccc2O)n1C ZINC000873141631 649568146 /nfs/dbraw/zinc/56/81/46/649568146.db2.gz HYXYIGJAUXTYNS-UHFFFAOYSA-N 1 0 288.347 2.116 20 10 CECDRO Cc1cc(O)c(CN[C@@]23CCC[C@@H]2[NH2+]CC3)cc1C ZINC000873230175 649601494 /nfs/dbraw/zinc/60/14/94/649601494.db2.gz NBUCTZRAQYHXKO-JKSUJKDBSA-N 1 0 260.381 2.383 20 10 CECDRO COc1cc(Cl)cc(CN[C@@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230755 649602937 /nfs/dbraw/zinc/60/29/37/649602937.db2.gz XRMAKNAPTKPZFV-UKRRQHHQSA-N 1 0 296.798 2.428 20 10 CECDRO C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@@H](C)[NH2+]1 ZINC000125064766 649788723 /nfs/dbraw/zinc/78/87/23/649788723.db2.gz XZEFIMLYNCMWGW-NXEZZACHSA-N 1 0 254.761 2.228 20 10 CECDRO COc1ncc(C[NH2+][C@@H](C)c2ccccc2O)c(C)n1 ZINC000879650451 651335821 /nfs/dbraw/zinc/33/58/21/651335821.db2.gz ALMQFZUAIVDHBC-NSHDSACASA-N 1 0 273.336 2.350 20 10 CECDRO C[C@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccccc1O ZINC000879651368 651335848 /nfs/dbraw/zinc/33/58/48/651335848.db2.gz SHSDWQBLHVSEES-NSHDSACASA-N 1 0 288.391 2.348 20 10 CECDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC1CCCC1 ZINC000879651699 651336055 /nfs/dbraw/zinc/33/60/55/651336055.db2.gz HQTIRXZHCYGWGO-RYUDHWBXSA-N 1 0 276.380 2.490 20 10 CECDRO CS[C@@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000128061985 651358772 /nfs/dbraw/zinc/35/87/72/651358772.db2.gz MGFFUZBHKKOWSL-ZDUSSCGKSA-N 1 0 280.437 2.364 20 10 CECDRO COc1ccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)cc1C ZINC000129363664 651932329 /nfs/dbraw/zinc/93/23/29/651932329.db2.gz JPUGFMXMKOEVIX-XIKOKIGWSA-N 1 0 269.410 2.250 20 10 CECDRO Cc1nccnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882879725 652246840 /nfs/dbraw/zinc/24/68/40/652246840.db2.gz JLQIZBHQYAOAHN-UHFFFAOYSA-N 1 0 297.406 2.149 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000883166917 652385666 /nfs/dbraw/zinc/38/56/66/652385666.db2.gz LOWMCVYVPLHJMX-WBVHZDCISA-N 1 0 292.423 2.284 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC000883375199 652448459 /nfs/dbraw/zinc/44/84/59/652448459.db2.gz FSMMJOHIHPXRQK-AVGNSLFASA-N 1 0 297.420 2.235 20 10 CECDRO Cc1coc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000884011167 652630434 /nfs/dbraw/zinc/63/04/34/652630434.db2.gz VQPUCIVEDQUYAY-AWEZNQCLSA-N 1 0 287.363 2.084 20 10 CECDRO Oc1cccc(OC(F)(F)F)c1CN1CCC[NH2+]CC1 ZINC001204685250 806067592 /nfs/dbraw/zinc/06/75/92/806067592.db2.gz ZJRSCNUFICKSSG-UHFFFAOYSA-N 1 0 290.285 2.086 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000229588071 806076199 /nfs/dbraw/zinc/07/61/99/806076199.db2.gz UAVYJSXNLYXWRT-NEPJUHHUSA-N 1 0 276.380 2.317 20 10 CECDRO Cc1cc(CN2CC([NH3+])C2)c(C)n1-c1ccccc1 ZINC001204854873 806446696 /nfs/dbraw/zinc/44/66/96/806446696.db2.gz VCNXGMVIVJDLQQ-UHFFFAOYSA-N 1 0 255.365 2.237 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CC(=O)N(C)C2)c(O)c1 ZINC000723543911 802884528 /nfs/dbraw/zinc/88/45/28/802884528.db2.gz BIMSUAIZIKDSEO-STQMWFEESA-N 1 0 276.380 2.220 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cccc(OC)c2O)[C@H](C)CO1 ZINC000403841969 803133076 /nfs/dbraw/zinc/13/30/76/803133076.db2.gz STRMGJFQZCWEBI-YPMHNXCESA-N 1 0 265.353 2.400 20 10 CECDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140623591 803246811 /nfs/dbraw/zinc/24/68/11/803246811.db2.gz XFLPYSCARHLOCR-OCCSQVGLSA-N 1 0 277.364 2.332 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1C ZINC000694591069 803571158 /nfs/dbraw/zinc/57/11/58/803571158.db2.gz QUBLLVKNXSCBEG-CQSZACIVSA-N 1 0 297.420 2.061 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000694807414 803589005 /nfs/dbraw/zinc/58/90/05/803589005.db2.gz JCHOIVCGEIQKMH-PTEHBNRSSA-N 1 0 265.353 2.446 20 10 CECDRO CN(C)c1ccc(CN2CCC[NH2+]CC2)c(Cl)c1 ZINC001204667162 804374599 /nfs/dbraw/zinc/37/45/99/804374599.db2.gz FWLYVRJWIMGDKJ-UHFFFAOYSA-N 1 0 267.804 2.201 20 10 CECDRO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000037138307 815026677 /nfs/dbraw/zinc/02/66/77/815026677.db2.gz KWCMVNIZXIZGDJ-LBPRGKRZSA-N 1 0 276.380 2.362 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)[C@@H](C)C1 ZINC001233486042 807408400 /nfs/dbraw/zinc/40/84/00/807408400.db2.gz VTOULJNRPBOYPA-ZJUUUORDSA-N 1 0 251.326 2.424 20 10 CECDRO O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1Cc2cccc(O)c2C1 ZINC000913726562 807518485 /nfs/dbraw/zinc/51/84/85/807518485.db2.gz RNZPJNCBNDHOJV-HIFRSBDPSA-N 1 0 286.375 2.251 20 10 CECDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000699460937 807712221 /nfs/dbraw/zinc/71/22/21/807712221.db2.gz CMTQYQZNNBSGCB-DOMZBBRYSA-N 1 0 260.381 2.194 20 10 CECDRO CCc1cccc(C[NH2+]CC[C@H](O)C(F)F)c1O ZINC000716764806 815145814 /nfs/dbraw/zinc/14/58/14/815145814.db2.gz LCIONHICRRJQDV-NSHDSACASA-N 1 0 259.296 2.060 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](CC)C[C@@H](C)O)c1O ZINC000716798680 815147264 /nfs/dbraw/zinc/14/72/64/815147264.db2.gz JJEIUTLLOLYURA-DGCLKSJQSA-N 1 0 267.369 2.430 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)C=C(C)C)cc1C ZINC001123001444 807793188 /nfs/dbraw/zinc/79/31/88/807793188.db2.gz DMZSZQMJVKDDFX-UHFFFAOYSA-N 1 0 276.380 2.176 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)CC(N)=O ZINC000168829196 807871073 /nfs/dbraw/zinc/87/10/73/807871073.db2.gz UMKMMOYKLBGMAC-VWYCJHECSA-N 1 0 262.353 2.102 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@](C)(CO)COC)cc1 ZINC000716882938 815157556 /nfs/dbraw/zinc/15/75/56/815157556.db2.gz CHZBRTUSHBFEEV-INIZCTEOSA-N 1 0 280.412 2.020 20 10 CECDRO CCN(CC)c1ccc(CN2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236026665 807937809 /nfs/dbraw/zinc/93/78/09/807937809.db2.gz YQLMUPMYSALMHZ-GDBMZVCRSA-N 1 0 259.397 2.066 20 10 CECDRO COc1cc(C)c(C[NH+]2CC([C@@H](C)OC)C2)c(O)c1 ZINC001236812589 808168487 /nfs/dbraw/zinc/16/84/87/808168487.db2.gz CAZVJGLCRGOXRB-LLVKDONJSA-N 1 0 265.353 2.176 20 10 CECDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1c(O)ccc(F)c1Cl ZINC001205197681 808488656 /nfs/dbraw/zinc/48/86/56/808488656.db2.gz ZUTFMXYNFNLNGE-GMSGAONNSA-N 1 0 258.724 2.106 20 10 CECDRO [NH3+][C@@H]1CN(Cc2c(O)ccc(F)c2Cl)CC(F)(F)C1 ZINC001206145359 815210785 /nfs/dbraw/zinc/21/07/85/815210785.db2.gz GZZXSUZTUMBBOV-ZETCQYMHSA-N 1 0 294.704 2.353 20 10 CECDRO CCOC(=O)CC[N@H+](Cc1ccc(N)cc1)C(C)C ZINC001120371819 815217311 /nfs/dbraw/zinc/21/73/11/815217311.db2.gz RIOKFXGPSAANFV-UHFFFAOYSA-N 1 0 264.369 2.432 20 10 CECDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1O ZINC001116448813 808814725 /nfs/dbraw/zinc/81/47/25/808814725.db2.gz GEHKPYBZOSLKRP-DOTOQJQBSA-N 1 0 274.408 2.490 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C(=O)C2)cc1C ZINC001172011613 815263873 /nfs/dbraw/zinc/26/38/73/815263873.db2.gz IENDHLFYUJLEIU-CQSZACIVSA-N 1 0 288.391 2.247 20 10 CECDRO CC(C)O[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000701727119 809457017 /nfs/dbraw/zinc/45/70/17/809457017.db2.gz BFXOFVQDWJLCQQ-GFCCVEGCSA-N 1 0 279.336 2.120 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2CC(OC)C2)c1 ZINC000703119593 809621382 /nfs/dbraw/zinc/62/13/82/809621382.db2.gz AHJHUHIAVRICPF-XSRFYTQQSA-N 1 0 265.353 2.476 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CC[C@H]1CCSC1)OCO2 ZINC000704814439 809755203 /nfs/dbraw/zinc/75/52/03/809755203.db2.gz LUJRSAKXOKXJTO-JTQLQIEISA-N 1 0 281.377 2.354 20 10 CECDRO CC[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000706829171 809856932 /nfs/dbraw/zinc/85/69/32/809856932.db2.gz OKOICPTYJSSILG-QMMMGPOBSA-N 1 0 274.158 2.015 20 10 CECDRO CC[N@@H+]1CCN(Cc2cc(F)cc(F)c2[O-])C[C@H]1C ZINC000708397969 809929072 /nfs/dbraw/zinc/92/90/72/809929072.db2.gz DQPHJUPGPOCJOB-SNVBAGLBSA-N 1 0 270.323 2.196 20 10 CECDRO CCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001018412513 810613368 /nfs/dbraw/zinc/61/33/68/810613368.db2.gz KGXMPTLTJRPXSR-HNNXBMFYSA-N 1 0 290.407 2.494 20 10 CECDRO CN1C[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3O)C[C@H](C1)O2 ZINC001276373458 810743947 /nfs/dbraw/zinc/74/39/47/810743947.db2.gz FECPDOGRWWXYTG-IYBDPMFKSA-N 1 0 298.386 2.060 20 10 CECDRO CC[C@H](CCO)[NH2+]Cc1ccc(Br)cc1O ZINC000691455401 811859375 /nfs/dbraw/zinc/85/93/75/811859375.db2.gz OXGYAXYLDQZKEJ-LLVKDONJSA-N 1 0 288.185 2.405 20 10 CECDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000691469702 811901941 /nfs/dbraw/zinc/90/19/41/811901941.db2.gz ZPRJTWIFBUVRQY-KWQFWETISA-N 1 0 286.169 2.279 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1O ZINC000691490648 811958087 /nfs/dbraw/zinc/95/80/87/811958087.db2.gz YUGOLPNGYPTWCI-UKRRQHHQSA-N 1 0 277.364 2.448 20 10 CECDRO CN1CCC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000691490866 811958286 /nfs/dbraw/zinc/95/82/86/811958286.db2.gz YQKQSQJSVJUHBO-LBPRGKRZSA-N 1 0 299.212 2.339 20 10 CECDRO CCc1cccc(C[NH2+]CCC[C@H](C)CO)c1O ZINC000691496822 811959592 /nfs/dbraw/zinc/95/95/92/811959592.db2.gz VYGKSFSYGIMZHY-LBPRGKRZSA-N 1 0 251.370 2.453 20 10 CECDRO CN(c1ccc2c3c(ccnc13)CCO2)C(C)(C)C[NH3+] ZINC001170059319 812015025 /nfs/dbraw/zinc/01/50/25/812015025.db2.gz GKUCLFVSOGYEFT-UHFFFAOYSA-N 1 0 271.364 2.343 20 10 CECDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1cccc(O)c1O ZINC001172761984 815510032 /nfs/dbraw/zinc/51/00/32/815510032.db2.gz VCGVEPSPPYNLCP-LLVKDONJSA-N 1 0 281.352 2.308 20 10 CECDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CCO1 ZINC001170176532 812324299 /nfs/dbraw/zinc/32/42/99/812324299.db2.gz YALKFPDCCZFAAW-YPMHNXCESA-N 1 0 251.326 2.145 20 10 CECDRO CC[C@@]1([NH2+]Cc2cccc(OC)c2O)CCOC1 ZINC000386009512 813150591 /nfs/dbraw/zinc/15/05/91/813150591.db2.gz UIOKKZBCYGDFSA-CQSZACIVSA-N 1 0 251.326 2.060 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1 ZINC000387940226 813225478 /nfs/dbraw/zinc/22/54/78/813225478.db2.gz ILAGWDGJSJTDSP-CABCVRRESA-N 1 0 262.397 2.393 20 10 CECDRO C[C@H]([NH2+]CCc1cnccn1)c1cc(F)ccc1O ZINC000390038511 813259416 /nfs/dbraw/zinc/25/94/16/813259416.db2.gz IVCXKABDVIGBIM-JTQLQIEISA-N 1 0 261.300 2.215 20 10 CECDRO CC[C@@H]([NH2+]CCc1cnccn1)c1ccccc1O ZINC000390177140 813261657 /nfs/dbraw/zinc/26/16/57/813261657.db2.gz GYRHDHWVCQFODS-CQSZACIVSA-N 1 0 257.337 2.466 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccccc1O ZINC000391464460 813285770 /nfs/dbraw/zinc/28/57/70/813285770.db2.gz BMYHGXNTUHXPSM-YPMHNXCESA-N 1 0 262.353 2.054 20 10 CECDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000398093083 813657534 /nfs/dbraw/zinc/65/75/34/813657534.db2.gz STZMSSKAQBVMHY-YOEHRIQHSA-N 1 0 290.407 2.180 20 10 CECDRO CC[C@@H]([NH2+]CCN(C)C(=O)OC)c1ccccc1O ZINC000689585800 813978116 /nfs/dbraw/zinc/97/81/16/813978116.db2.gz RWTPTEBXTHOIMF-GFCCVEGCSA-N 1 0 266.341 2.131 20 10 CECDRO Oc1cc(O)c(C[NH+]2CC(Oc3ccccc3)C2)c(O)c1 ZINC001144509367 814098195 /nfs/dbraw/zinc/09/81/95/814098195.db2.gz UWKFLUHIJFBMQQ-UHFFFAOYSA-N 1 0 287.315 2.067 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@H](O)C[C@H]2C)ccc1N(C)C ZINC001139673424 814635428 /nfs/dbraw/zinc/63/54/28/814635428.db2.gz RPDOMFIDBMYZFK-HIFRSBDPSA-N 1 0 262.397 2.406 20 10 CECDRO CC[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116436810 814853510 /nfs/dbraw/zinc/85/35/10/814853510.db2.gz BTPHKSSTGWWKRZ-UHFFFAOYSA-N 1 0 265.376 2.029 20 10 CECDRO C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccccc1O ZINC000714383946 814903233 /nfs/dbraw/zinc/90/32/33/814903233.db2.gz XBBBYUWWSPJBDU-VXGBXAGGSA-N 1 0 283.393 2.010 20 10 CECDRO Cc1cc(C[N@@H+]2CCCC[C@H](O)C2)ccc1N(C)C ZINC001139670028 815625850 /nfs/dbraw/zinc/62/58/50/815625850.db2.gz VWPXYDVZGFEQTM-HNNXBMFYSA-N 1 0 262.397 2.408 20 10 CECDRO C[NH+](C)[C@@H]1CCCN(Cc2c(O)cccc2F)C1 ZINC001137837929 815693002 /nfs/dbraw/zinc/69/30/02/815693002.db2.gz ZQOQUXCPZJGDQB-LLVKDONJSA-N 1 0 252.333 2.057 20 10 CECDRO [O-]c1c(F)cccc1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001138122566 815731113 /nfs/dbraw/zinc/73/11/13/815731113.db2.gz NFDZYALUCCCLHU-AWEZNQCLSA-N 1 0 271.307 2.218 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@](C)(O)C2)c2ccccc2n1C ZINC001138252743 815754869 /nfs/dbraw/zinc/75/48/69/815754869.db2.gz SNJLYXBLAZWECY-INIZCTEOSA-N 1 0 258.365 2.443 20 10 CECDRO COCC1C[NH+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354322 815773212 /nfs/dbraw/zinc/77/32/12/815773212.db2.gz FDZHVGQOLXOAQS-UHFFFAOYSA-N 1 0 260.381 2.147 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3C[C@@H](F)C[C@H](CO)C3)ccc21 ZINC001138354841 815774582 /nfs/dbraw/zinc/77/45/82/815774582.db2.gz WMMPPJJLLSNSPI-HOCLYGCPSA-N 1 0 292.398 2.221 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCCC[C@@H](O)C3)ccc21 ZINC001138354581 815774950 /nfs/dbraw/zinc/77/49/50/815774950.db2.gz OBXNFXHIDXHUHV-MRXNPFEDSA-N 1 0 274.408 2.416 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001140057093 816179262 /nfs/dbraw/zinc/17/92/62/816179262.db2.gz BZBSPBJOHRZJJZ-AWEZNQCLSA-N 1 0 271.307 2.218 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)[C@H]1C ZINC001140055090 816179865 /nfs/dbraw/zinc/17/98/65/816179865.db2.gz HYBNBMIRQXCDTF-GWCFXTLKSA-N 1 0 281.327 2.305 20 10 CECDRO Cc1ccc(C)c(C[N@H+](C)CCC2OCCO2)c1O ZINC001140182055 816205519 /nfs/dbraw/zinc/20/55/19/816205519.db2.gz HAIPYXWVFVWUPX-UHFFFAOYSA-N 1 0 265.353 2.204 20 10 CECDRO CC(=O)N1CC[N@H+](Cc2c(C)ccc(C)c2O)[C@@H](C)C1 ZINC001140184240 816206223 /nfs/dbraw/zinc/20/62/23/816206223.db2.gz OJGHSEUXNZNVRP-ZDUSSCGKSA-N 1 0 276.380 2.062 20 10 CECDRO Oc1cccc(Cl)c1C[N@H+]1CCCC[C@H](O)C1 ZINC001140337858 816235814 /nfs/dbraw/zinc/23/58/14/816235814.db2.gz JTLIDCNCZAEYRY-JTQLQIEISA-N 1 0 255.745 2.392 20 10 CECDRO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001140464732 816261141 /nfs/dbraw/zinc/26/11/41/816261141.db2.gz BQFFCEPZVUZXCI-GXFFZTMASA-N 1 0 253.729 2.266 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c1 ZINC001140624123 816306104 /nfs/dbraw/zinc/30/61/04/816306104.db2.gz HIXPKEXSQMVNMM-DZGCQCFKSA-N 1 0 288.391 2.143 20 10 CECDRO Cc1noc([C@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)n1 ZINC001140623586 816306906 /nfs/dbraw/zinc/30/69/06/816306906.db2.gz XBOKAHXWLYAKKZ-LBPRGKRZSA-N 1 0 273.336 2.382 20 10 CECDRO Cc1c(O)ccc(C[N@H+]2CC[C@H](C)[C@@](C)(O)CC2)c1O ZINC001140742720 816339071 /nfs/dbraw/zinc/33/90/71/816339071.db2.gz WMEIPICHNWLDOT-ZBEGNZNMSA-N 1 0 279.380 2.389 20 10 CECDRO COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140747960 816341945 /nfs/dbraw/zinc/34/19/45/816341945.db2.gz PLAMWVJQTHHCGK-GFCCVEGCSA-N 1 0 293.363 2.181 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1O ZINC001140747995 816342037 /nfs/dbraw/zinc/34/20/37/816342037.db2.gz QIBHZHJVICFWBU-ZDUSSCGKSA-N 1 0 265.353 2.142 20 10 CECDRO Cc1c(O)ccc(C[N@@H+](C)[C@H]2CCCOC2)c1O ZINC001140749549 816342826 /nfs/dbraw/zinc/34/28/26/816342826.db2.gz DKODQTWQZPNALW-LBPRGKRZSA-N 1 0 251.326 2.017 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCCOCC2)c(O)c1 ZINC001140850408 816383187 /nfs/dbraw/zinc/38/31/87/816383187.db2.gz KRYKFLUDLHXLGQ-UHFFFAOYSA-N 1 0 278.396 2.461 20 10 CECDRO CC[N@H+](Cc1c(O)cc(OC)cc1OC)C1CCOCC1 ZINC001141028664 816450441 /nfs/dbraw/zinc/45/04/41/816450441.db2.gz ZDXNZHAPKINQKN-UHFFFAOYSA-N 1 0 295.379 2.410 20 10 CECDRO CCOC(=O)C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156608 816489773 /nfs/dbraw/zinc/48/97/73/816489773.db2.gz OKPZUPLCEOPMRK-LBPRGKRZSA-N 1 0 293.363 2.263 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCCCO3)c1 ZINC001141156543 816490052 /nfs/dbraw/zinc/49/00/52/816490052.db2.gz MSYFGHRGEMTXSX-HNNXBMFYSA-N 1 0 263.337 2.243 20 10 CECDRO Cc1cc(C[NH2+]C2(CO)CCSCC2)ccc1N(C)C ZINC000839178601 816567284 /nfs/dbraw/zinc/56/72/84/816567284.db2.gz FALOKBVRCFWPBH-UHFFFAOYSA-N 1 0 294.464 2.409 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2(O)CCCC2)cc1F ZINC001177870372 816628688 /nfs/dbraw/zinc/62/86/88/816628688.db2.gz KDSQJABOAWKCFN-UHFFFAOYSA-N 1 0 266.360 2.286 20 10 CECDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001142530648 816680769 /nfs/dbraw/zinc/68/07/69/816680769.db2.gz IYKKGBLMWJBRSG-HZMBPMFUSA-N 1 0 282.334 2.196 20 10 CECDRO C[C@@H]([NH2+]CCN1CCSCC1)c1ccccc1O ZINC000223662088 539206951 /nfs/dbraw/zinc/20/69/51/539206951.db2.gz LLLWTTBDIPPFDO-GFCCVEGCSA-N 1 0 266.410 2.092 20 10 CECDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)cn1 ZINC000085795158 344097434 /nfs/dbraw/zinc/09/74/34/344097434.db2.gz RVYAFVTYSBTZER-UHFFFAOYSA-N 1 0 258.321 2.428 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H]2CO)c(O)c1 ZINC000092455922 344189932 /nfs/dbraw/zinc/18/99/32/344189932.db2.gz JSJZHYKPWLJJDL-ZDUSSCGKSA-N 1 0 265.353 2.138 20 10 CECDRO CN1CCc2cc(C[NH2+]Cc3ccncc3)ccc21 ZINC000050286177 362414494 /nfs/dbraw/zinc/41/44/94/362414494.db2.gz AHUGVFNLLICPDD-UHFFFAOYSA-N 1 0 253.349 2.364 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)OCO2 ZINC000284025518 344677621 /nfs/dbraw/zinc/67/76/21/344677621.db2.gz IFRGIFZBKWDIBU-JSGCOSHPSA-N 1 0 291.347 2.264 20 10 CECDRO C[C@H](CO)C[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000134914694 366373218 /nfs/dbraw/zinc/37/32/18/366373218.db2.gz NCZHVIVGDKDCCY-IUCAKERBSA-N 1 0 288.185 2.434 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000156058197 366825708 /nfs/dbraw/zinc/82/57/08/366825708.db2.gz XKPFOSABJXKNCL-CABCVRRESA-N 1 0 260.381 2.369 20 10 CECDRO COc1cccc(C[N@H+](C)C[C@H]2CCCOC2)c1O ZINC000156030999 366825005 /nfs/dbraw/zinc/82/50/05/366825005.db2.gz TXLXWHXZJCRTMV-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000113338322 364888814 /nfs/dbraw/zinc/88/88/14/364888814.db2.gz CZSUDSQLOSAXHF-HNNXBMFYSA-N 1 0 298.390 2.249 20 10 CECDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(F)c1O ZINC000160247539 366986408 /nfs/dbraw/zinc/98/64/08/366986408.db2.gz QRWBOWLVPZGMEJ-WCQYABFASA-N 1 0 264.344 2.200 20 10 CECDRO C[N@H+](CCOCCO)Cc1ccc(N2CCCCC2)cc1 ZINC000172365387 367726679 /nfs/dbraw/zinc/72/66/79/367726679.db2.gz MRAIECHOBLNYTA-UHFFFAOYSA-N 1 0 292.423 2.118 20 10 CECDRO COc1cccc(C[N@@H+]2CCSC[C@H]2C)c1O ZINC000179664485 368347570 /nfs/dbraw/zinc/34/75/70/368347570.db2.gz PXHNGYDIGCVDOW-SNVBAGLBSA-N 1 0 253.367 2.338 20 10 CECDRO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000179786846 368352320 /nfs/dbraw/zinc/35/23/20/368352320.db2.gz RKZOCLICKDJXBH-GFCCVEGCSA-N 1 0 282.771 2.064 20 10 CECDRO CCOC[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180241516 368374875 /nfs/dbraw/zinc/37/48/75/368374875.db2.gz LOFHKFZWAMGOGL-LLVKDONJSA-N 1 0 253.317 2.390 20 10 CECDRO COc1cc(O)c(C[NH2+]CC2(O)CCCCC2)cc1OC ZINC000181385426 368449651 /nfs/dbraw/zinc/44/96/51/368449651.db2.gz ZHFIMYYOPWWJOW-UHFFFAOYSA-N 1 0 295.379 2.194 20 10 CECDRO COCC1=CC[N@H+](Cc2cccc(OC)c2O)CC1 ZINC000187620210 369190706 /nfs/dbraw/zinc/19/07/06/369190706.db2.gz VYDFXUODPYEQKW-UHFFFAOYSA-N 1 0 263.337 2.179 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)cc1 ZINC000189005757 369441179 /nfs/dbraw/zinc/44/11/79/369441179.db2.gz RCBPVKKTCPCSON-STQMWFEESA-N 1 0 277.412 2.270 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000192098358 369772641 /nfs/dbraw/zinc/77/26/41/369772641.db2.gz CURZCHLKRVDXMO-CHWSQXEVSA-N 1 0 277.412 2.132 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCSCC2)c1 ZINC000223740358 370269669 /nfs/dbraw/zinc/26/96/69/370269669.db2.gz WGSCDTLVVLWRDX-LBPRGKRZSA-N 1 0 296.436 2.100 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCc3cn[nH]c31)OCO2 ZINC000268883920 372271089 /nfs/dbraw/zinc/27/10/89/372271089.db2.gz YNRQJEKRXDLXNK-LLVKDONJSA-N 1 0 287.319 2.011 20 10 CECDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268893815 372277007 /nfs/dbraw/zinc/27/70/07/372277007.db2.gz OOGGHFAPMSDMHX-WMLDXEAASA-N 1 0 292.423 2.335 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccccc1O ZINC000364357709 372735803 /nfs/dbraw/zinc/73/58/03/372735803.db2.gz DQBDHLGJBHGWKA-GOEBONIOSA-N 1 0 290.407 2.296 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccccc1O ZINC000364354475 372736265 /nfs/dbraw/zinc/73/62/65/372736265.db2.gz OXZZLEKXNAPWTO-RJZRQDKASA-N 1 0 288.391 2.442 20 10 CECDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCOC[C@@H](C)C2)c1 ZINC000366774297 373123260 /nfs/dbraw/zinc/12/32/60/373123260.db2.gz QMBPUTAQYWHSLM-NWDGAFQWSA-N 1 0 265.353 2.430 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000367317271 373146774 /nfs/dbraw/zinc/14/67/74/373146774.db2.gz JIWFMQIRXFCWBB-BBRMVZONSA-N 1 0 290.363 2.418 20 10 CECDRO CCC[N@H+](Cc1cc(OC)c(OC)cc1O)CC(C)(C)O ZINC000271753183 373201337 /nfs/dbraw/zinc/20/13/37/373201337.db2.gz WKDZLIVPVKUFEY-UHFFFAOYSA-N 1 0 297.395 2.392 20 10 CECDRO Cc1nccn1CCC[NH2+]Cc1cccc(C)c1O ZINC000271793572 373201596 /nfs/dbraw/zinc/20/15/96/373201596.db2.gz ATNBLMWORXIVTP-UHFFFAOYSA-N 1 0 259.353 2.385 20 10 CECDRO Cc1cccc(C[NH2+]C[C@](C)(O)c2ccco2)c1O ZINC000271846875 373204615 /nfs/dbraw/zinc/20/46/15/373204615.db2.gz RZAVVLPKPVTNCM-HNNXBMFYSA-N 1 0 261.321 2.291 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1C ZINC000368963202 373301136 /nfs/dbraw/zinc/30/11/36/373301136.db2.gz IOSZHQATWLYBJD-NOLJZWGESA-N 1 0 288.391 2.095 20 10 CECDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273567926 373763995 /nfs/dbraw/zinc/76/39/95/373763995.db2.gz JYPVYINEVGVRGN-HUUCEWRRSA-N 1 0 292.423 2.380 20 10 CECDRO CC[C@H](COC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273553352 373764249 /nfs/dbraw/zinc/76/42/49/373764249.db2.gz GJGVLHOXIAFZAH-ZYHUDNBSSA-N 1 0 281.352 2.254 20 10 CECDRO CC[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccccc1O ZINC000281203108 375362910 /nfs/dbraw/zinc/36/29/10/375362910.db2.gz SEMTYNCSGDGFAQ-LBPRGKRZSA-N 1 0 283.393 2.010 20 10 CECDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cc(F)ccc1O ZINC000284415587 375827501 /nfs/dbraw/zinc/82/75/01/375827501.db2.gz QMHTWGDAJDUUCQ-ITDIGPHOSA-N 1 0 299.386 2.340 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000288507092 376378754 /nfs/dbraw/zinc/37/87/54/376378754.db2.gz ILPRUTUVFDXGPK-RHSMWYFYSA-N 1 0 285.343 2.285 20 10 CECDRO COc1ccc(C[NH2+]CCc2nnc(C)s2)cc1C ZINC000289873628 376538461 /nfs/dbraw/zinc/53/84/61/376538461.db2.gz PCUKMZQQJNHPMZ-UHFFFAOYSA-N 1 0 277.393 2.496 20 10 CECDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000293780070 377754630 /nfs/dbraw/zinc/75/46/30/377754630.db2.gz ZDERBXKDXDILCT-LBPRGKRZSA-N 1 0 252.333 2.112 20 10 CECDRO CC[C@@H](C)[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000294115504 377911131 /nfs/dbraw/zinc/91/11/31/377911131.db2.gz DFXDIFZVMOOCEC-BMIGLBTASA-N 1 0 281.352 2.272 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)C(F)F ZINC000294993170 378034045 /nfs/dbraw/zinc/03/40/45/378034045.db2.gz HULLJVVLQXNGGL-ONGXEEELSA-N 1 0 263.259 2.026 20 10 CECDRO COC(=O)N1CC([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000294821627 378022701 /nfs/dbraw/zinc/02/27/01/378022701.db2.gz QKCMVLIXHJYLPT-LLVKDONJSA-N 1 0 278.352 2.110 20 10 CECDRO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@H](O)C1 ZINC000294864932 378025446 /nfs/dbraw/zinc/02/54/46/378025446.db2.gz UFBHXGUPWLRDKS-QGZVFWFLSA-N 1 0 299.370 2.252 20 10 CECDRO COCC[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295432976 378155498 /nfs/dbraw/zinc/15/54/98/378155498.db2.gz FVZLFSQCORZISH-UHFFFAOYSA-N 1 0 292.423 2.380 20 10 CECDRO CS(=O)(=O)CCCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296349052 378500159 /nfs/dbraw/zinc/50/01/59/378500159.db2.gz HIHJZMNDVJWJRM-CYBMUJFWSA-N 1 0 297.420 2.184 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000296698309 378621737 /nfs/dbraw/zinc/62/17/37/378621737.db2.gz IBELCDYCLAHTBA-ZBFHGGJFSA-N 1 0 289.423 2.276 20 10 CECDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000529651845 380182113 /nfs/dbraw/zinc/18/21/13/380182113.db2.gz MDJLQICQQCPLCS-KGLIPLIRSA-N 1 0 251.326 2.058 20 10 CECDRO Oc1ccc(Cl)cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530178022 380196019 /nfs/dbraw/zinc/19/60/19/380196019.db2.gz NJRGPTGUVYPDRV-ZDUSSCGKSA-N 1 0 266.772 2.420 20 10 CECDRO Oc1ccccc1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000530181197 380196051 /nfs/dbraw/zinc/19/60/51/380196051.db2.gz INLFHHMEQQZLFM-UHFFFAOYSA-N 1 0 270.332 2.486 20 10 CECDRO C[C@H](CO)CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000230161411 394479179 /nfs/dbraw/zinc/47/91/79/394479179.db2.gz QRQYNTSWRMOXIV-ZDUSSCGKSA-N 1 0 250.386 2.251 20 10 CECDRO C[NH+](C)C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000237017226 394490425 /nfs/dbraw/zinc/49/04/25/394490425.db2.gz ONTVNABODVQLNC-QGZVFWFLSA-N 1 0 297.402 2.230 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1O ZINC000237209234 394490795 /nfs/dbraw/zinc/49/07/95/394490795.db2.gz VGRSMBQUDJUETH-CQSZACIVSA-N 1 0 291.322 2.363 20 10 CECDRO Cc1cc(C(=O)NCCC[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000237588837 394492649 /nfs/dbraw/zinc/49/26/49/394492649.db2.gz GLLJPZYGTNTCCX-UHFFFAOYSA-N 1 0 289.354 2.312 20 10 CECDRO CC[C@H]([NH2+]C[C@H](C)CO)c1ccc(N(C)C)cc1 ZINC000268799318 394700144 /nfs/dbraw/zinc/70/01/44/394700144.db2.gz AOQBFNOKJGZUTD-WFASDCNBSA-N 1 0 250.386 2.422 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1 ZINC000119101131 394763500 /nfs/dbraw/zinc/76/35/00/394763500.db2.gz OSBSVBGIUQSFNT-UHFFFAOYSA-N 1 0 288.391 2.145 20 10 CECDRO C[C@]1([NH2+]Cc2cc(Br)ccc2O)CCOC1 ZINC000120127494 394776065 /nfs/dbraw/zinc/77/60/65/394776065.db2.gz IEAUNXYFIXWOAM-LBPRGKRZSA-N 1 0 286.169 2.423 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1O ZINC000360256287 394795125 /nfs/dbraw/zinc/79/51/25/394795125.db2.gz YJOBPNREOFXUAW-CQSZACIVSA-N 1 0 299.374 2.146 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@](C)(O)C2)c1O ZINC000124254472 394837641 /nfs/dbraw/zinc/83/76/41/394837641.db2.gz VUGQKRYIXDUYPM-OAHLLOKOSA-N 1 0 281.327 2.081 20 10 CECDRO CCN(CC)C(=O)C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000124495849 394838925 /nfs/dbraw/zinc/83/89/25/394838925.db2.gz ACULZUROSIOEFR-UHFFFAOYSA-N 1 0 284.787 2.346 20 10 CECDRO CCC[C@@H](C(=O)NCc1ccc2c(c1)CCN2C)[NH+](C)C ZINC000364399232 394898177 /nfs/dbraw/zinc/89/81/77/394898177.db2.gz HZMYWIMRXVWTOK-INIZCTEOSA-N 1 0 289.423 2.025 20 10 CECDRO CCOc1cccc(C[N@H+](C)[C@H](C)COC)c1O ZINC000132682580 394935392 /nfs/dbraw/zinc/93/53/92/394935392.db2.gz VCHJIMQHXYGXRV-LLVKDONJSA-N 1 0 253.342 2.258 20 10 CECDRO CC[NH+](CC)[C@@H]1CCN(Cc2cccc(F)c2O)C1 ZINC000160233487 395060359 /nfs/dbraw/zinc/06/03/59/395060359.db2.gz WGWBXROGGQWWJE-CYBMUJFWSA-N 1 0 266.360 2.447 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2ccc(CO)o2)cc1F ZINC000174323753 395122805 /nfs/dbraw/zinc/12/28/05/395122805.db2.gz FKQPXJJGDIJYDS-UHFFFAOYSA-N 1 0 278.327 2.267 20 10 CECDRO OCC1([C@H]([NH2+]Cc2ccccc2O)C2CC2)CCOCC1 ZINC000293518893 395237079 /nfs/dbraw/zinc/23/70/79/395237079.db2.gz AWTIVCZJLYDYNT-MRXNPFEDSA-N 1 0 291.391 2.050 20 10 CECDRO CCCN(Cc1cncnc1)c1ccc(C[NH3+])cc1 ZINC000194979593 395455728 /nfs/dbraw/zinc/45/57/28/395455728.db2.gz JBTANHIUOXVRDA-UHFFFAOYSA-N 1 0 256.353 2.352 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)N(C)C)c1 ZINC000020125831 171008855 /nfs/dbraw/zinc/00/88/55/171008855.db2.gz RTNAXPCIVVLELT-LLVKDONJSA-N 1 0 266.385 2.392 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000020208966 171072960 /nfs/dbraw/zinc/07/29/60/171072960.db2.gz ASOCTUIMADJRAU-QMTHXVAHSA-N 1 0 251.326 2.058 20 10 CECDRO COc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1O ZINC000035601309 172290367 /nfs/dbraw/zinc/29/03/67/172290367.db2.gz CKEKXRPSXALJQJ-AWEZNQCLSA-N 1 0 273.332 2.224 20 10 CECDRO C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)c1cc(F)ccc1O ZINC000367177466 227052523 /nfs/dbraw/zinc/05/25/23/227052523.db2.gz ALOXNNZVIFVWAT-BPNCWPANSA-N 1 0 292.354 2.335 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)[C@@H](CO)SC)cc1C ZINC000219070491 419463433 /nfs/dbraw/zinc/46/34/33/419463433.db2.gz MJDOZKVMJSMPLJ-BXUZGUMPSA-N 1 0 269.410 2.206 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccccc1O ZINC000036932889 260052201 /nfs/dbraw/zinc/05/22/01/260052201.db2.gz RSRDIOIWMBTULR-ZFWWWQNUSA-N 1 0 278.396 2.154 20 10 CECDRO CN1CCCc2cc(C[NH2+][C@H]3CCCOC3)ccc21 ZINC000075209100 260165469 /nfs/dbraw/zinc/16/54/69/260165469.db2.gz MZBKEVUZEGPSGT-HNNXBMFYSA-N 1 0 260.381 2.338 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1O ZINC000128219164 260373584 /nfs/dbraw/zinc/37/35/84/260373584.db2.gz PLNOHVBZBSVPQD-NEPJUHHUSA-N 1 0 285.771 2.303 20 10 CECDRO Cc1cc(C(=O)NCC[NH3+])c(C)n1-c1cc(C)cc(C)c1 ZINC000158722685 261170291 /nfs/dbraw/zinc/17/02/91/261170291.db2.gz OOQMSTBRCPIZBL-UHFFFAOYSA-N 1 0 285.391 2.399 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)CC(OC)OC ZINC000161328071 261244667 /nfs/dbraw/zinc/24/46/67/261244667.db2.gz TXGUBTQYSIJVRP-UHFFFAOYSA-N 1 0 253.342 2.223 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCNC(=O)c2ccco2)c1 ZINC000184916973 262033450 /nfs/dbraw/zinc/03/34/50/262033450.db2.gz DMOKPKRHAQSFHD-LBPRGKRZSA-N 1 0 288.347 2.374 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Cl)ccc1O ZINC000185502474 262056942 /nfs/dbraw/zinc/05/69/42/262056942.db2.gz QUQLMOYFWUWLPP-ONGXEEELSA-N 1 0 282.771 2.317 20 10 CECDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000185771360 262069677 /nfs/dbraw/zinc/06/96/77/262069677.db2.gz IFHGJSABFSIRSJ-AWEZNQCLSA-N 1 0 292.379 2.329 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000185787919 262070721 /nfs/dbraw/zinc/07/07/21/262070721.db2.gz YTIBJUGELYAXCX-VXGBXAGGSA-N 1 0 292.379 2.062 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000185788533 262070764 /nfs/dbraw/zinc/07/07/64/262070764.db2.gz UHGFOBPWLBJWAZ-STQMWFEESA-N 1 0 276.380 2.362 20 10 CECDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000186109467 262080036 /nfs/dbraw/zinc/08/00/36/262080036.db2.gz LVNIOANKYQMDTD-CHWSQXEVSA-N 1 0 291.395 2.155 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(CO)CCOCC2)c1 ZINC000186149569 262081699 /nfs/dbraw/zinc/08/16/99/262081699.db2.gz IKWLLMFMQSMMAC-ZDUSSCGKSA-N 1 0 279.380 2.140 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(CO)CCOCC2)c1 ZINC000186149553 262081851 /nfs/dbraw/zinc/08/18/51/262081851.db2.gz IKWLLMFMQSMMAC-CYBMUJFWSA-N 1 0 279.380 2.140 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000186223573 262085155 /nfs/dbraw/zinc/08/51/55/262085155.db2.gz MDHUWNOILBADHX-SECBINFHSA-N 1 0 284.787 2.468 20 10 CECDRO COc1cccc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1O ZINC000289727602 263111621 /nfs/dbraw/zinc/11/16/21/263111621.db2.gz HPEIWSOYMUHCJM-UKRRQHHQSA-N 1 0 290.407 2.459 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 ZINC000367547146 267098138 /nfs/dbraw/zinc/09/81/38/267098138.db2.gz RDLMCRHBKVBAIQ-ZFWWWQNUSA-N 1 0 288.391 2.191 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1 ZINC000368331505 267163314 /nfs/dbraw/zinc/16/33/14/267163314.db2.gz KALPXDXSFBDPDC-XPCVCDNBSA-N 1 0 288.391 2.361 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1F ZINC000368346155 267164964 /nfs/dbraw/zinc/16/49/64/267164964.db2.gz BQPLMBSEJQIKAX-FICVDOATSA-N 1 0 292.398 2.342 20 10 CECDRO COc1cccc(C[NH2+]C2(CO)Cc3ccccc3C2)c1O ZINC000369378790 267238686 /nfs/dbraw/zinc/23/86/86/267238686.db2.gz VCACZRBFKOQYGU-UHFFFAOYSA-N 1 0 299.370 2.020 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1F ZINC000369676694 267260042 /nfs/dbraw/zinc/26/00/42/267260042.db2.gz RRFLYMWBFQQLFG-INIZCTEOSA-N 1 0 278.371 2.239 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000369925694 267277157 /nfs/dbraw/zinc/27/71/57/267277157.db2.gz XBGSCINSGFVKPA-JSGCOSHPSA-N 1 0 272.352 2.382 20 10 CECDRO CN(CC[NH2+][C@@H]1CCc2cccc(O)c21)CC(F)(F)F ZINC000297911652 276843948 /nfs/dbraw/zinc/84/39/48/276843948.db2.gz WRBBAELSPQDMRJ-LLVKDONJSA-N 1 0 288.313 2.463 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000189948361 276883957 /nfs/dbraw/zinc/88/39/57/276883957.db2.gz UXEKRKWETWBVGB-ZBFHGGJFSA-N 1 0 262.397 2.393 20 10 CECDRO COC[C@H]([NH2+][C@H](C)c1ccccc1O)[C@@H]1CCCO1 ZINC000278659758 277263554 /nfs/dbraw/zinc/26/35/54/277263554.db2.gz FHZYLGQBHUXCRL-ZLDLUXBVSA-N 1 0 265.353 2.237 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000364637124 280219094 /nfs/dbraw/zinc/21/90/94/280219094.db2.gz OCEKWNKVRAOSGA-SWLSCSKDSA-N 1 0 281.327 2.430 20 10 CECDRO COc1cccc(C[NH2+]CC[C@@H]2CCCOC2)c1O ZINC000527739356 297743026 /nfs/dbraw/zinc/74/30/26/297743026.db2.gz MOMUAZCKVLYZDR-LBPRGKRZSA-N 1 0 265.353 2.307 20 10 CECDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccccc1O ZINC000272861329 328201143 /nfs/dbraw/zinc/20/11/43/328201143.db2.gz MXZVZROCIBONSB-GZMMTYOYSA-N 1 0 263.259 2.356 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000226618168 329262232 /nfs/dbraw/zinc/26/22/32/329262232.db2.gz VCKXSESNABGUED-OCCSQVGLSA-N 1 0 251.301 2.188 20 10 CECDRO Nc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000377304983 329010739 /nfs/dbraw/zinc/01/07/39/329010739.db2.gz PXGZPUKQJFNHCM-FZMZJTMJSA-N 1 0 259.353 2.082 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1O ZINC000227057913 333275326 /nfs/dbraw/zinc/27/53/26/333275326.db2.gz VBZBHVZEULKVDE-OTYXRUKQSA-N 1 0 297.782 2.451 20 10 CECDRO CCOc1cccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000133956749 334074939 /nfs/dbraw/zinc/07/49/39/334074939.db2.gz BPSSFEKBABGTRP-OAHLLOKOSA-N 1 0 290.407 2.461 20 10 CECDRO COc1cc(C[NH2+]Cc2ccccc2O)cc(OC)c1O ZINC000134235392 334085070 /nfs/dbraw/zinc/08/50/70/334085070.db2.gz LEDFEECPVXXLDS-UHFFFAOYSA-N 1 0 289.331 2.405 20 10 CECDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1ccccc1O ZINC000134289439 334087017 /nfs/dbraw/zinc/08/70/17/334087017.db2.gz LDLOEJVRITVDGL-UHFFFAOYSA-N 1 0 266.341 2.007 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000277911705 521155133 /nfs/dbraw/zinc/15/51/33/521155133.db2.gz PMJYBSHARPNMHC-SMDDNHRTSA-N 1 0 265.353 2.306 20 10 CECDRO CC(C)[N@H+](C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000299305536 519611740 /nfs/dbraw/zinc/61/17/40/519611740.db2.gz CYDQMEFCTKDTLC-UHFFFAOYSA-N 1 0 289.423 2.243 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2COC[C@@H]2OC)cc1 ZINC000290311681 520289903 /nfs/dbraw/zinc/28/99/03/520289903.db2.gz ZVTWRWXYVSXHGR-RCBQFDQVSA-N 1 0 278.396 2.207 20 10 CECDRO CCN(CC)[C@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC000279711613 520859900 /nfs/dbraw/zinc/85/99/00/520859900.db2.gz SRAACEPDBKBASY-LLVKDONJSA-N 1 0 254.349 2.351 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC(=O)NCC(F)F)cc1 ZINC000280291068 520906004 /nfs/dbraw/zinc/90/60/04/520906004.db2.gz MSKKJWGILLCBAI-UHFFFAOYSA-N 1 0 299.365 2.004 20 10 CECDRO CCC[C@@]1(CO)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000290247287 520966703 /nfs/dbraw/zinc/96/67/03/520966703.db2.gz VITFQESPNZASBE-MRXNPFEDSA-N 1 0 279.380 2.385 20 10 CECDRO CCOc1cccc(CN2CC[NH+](CC3CC3)CC2)c1O ZINC000130658261 521340795 /nfs/dbraw/zinc/34/07/95/521340795.db2.gz FSJUXQWSKMMWKO-UHFFFAOYSA-N 1 0 290.407 2.319 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)c1O ZINC000193496882 521374086 /nfs/dbraw/zinc/37/40/86/521374086.db2.gz UMKPFOIZTFPYSL-WCQYABFASA-N 1 0 293.363 2.222 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2([S@](C)=O)CCC2)cc1 ZINC000280647277 522205295 /nfs/dbraw/zinc/20/52/95/522205295.db2.gz NWTTZJGVCHFNRF-IBGZPJMESA-N 1 0 280.437 2.143 20 10 CECDRO COC(=O)C1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000258994223 522832686 /nfs/dbraw/zinc/83/26/86/522832686.db2.gz NGWIFROBIQOESX-UHFFFAOYSA-N 1 0 263.337 2.046 20 10 CECDRO COCC1(C[NH2+]Cc2cccc(C)c2O)CCOCC1 ZINC000292820668 522900677 /nfs/dbraw/zinc/90/06/77/522900677.db2.gz PXRVXPKDYQBLKV-UHFFFAOYSA-N 1 0 279.380 2.233 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccccc1O ZINC000084063231 522922748 /nfs/dbraw/zinc/92/27/48/522922748.db2.gz CKFZPAOQMBPRSH-DGCLKSJQSA-N 1 0 262.353 2.054 20 10 CECDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC000125918166 524132729 /nfs/dbraw/zinc/13/27/29/524132729.db2.gz LUNQQYWRCHGSCZ-CQSZACIVSA-N 1 0 283.375 2.186 20 10 CECDRO COc1ccc(N2CCC([NH2+]C[C@H](C)OC)CC2)cc1 ZINC000364876739 524403910 /nfs/dbraw/zinc/40/39/10/524403910.db2.gz BASXGWCEDUFLHK-ZDUSSCGKSA-N 1 0 278.396 2.289 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H]1CO ZINC000276747754 524510302 /nfs/dbraw/zinc/51/03/02/524510302.db2.gz LIUHBYCGGRJQAB-IAQYHMDHSA-N 1 0 266.360 2.094 20 10 CECDRO C[C@H]1C[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000292869461 524576063 /nfs/dbraw/zinc/57/60/63/524576063.db2.gz AWHOCYBOBLMSSA-KBPBESRZSA-N 1 0 289.423 2.051 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@H](n3cncn3)C2)ccc1N(C)C ZINC000292941218 524688234 /nfs/dbraw/zinc/68/82/34/524688234.db2.gz BLJRJTCPSWZDFO-INIZCTEOSA-N 1 0 299.422 2.490 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)CN(C)C(C)C)c1 ZINC000291712566 524755004 /nfs/dbraw/zinc/75/50/04/524755004.db2.gz ZZIBNNOENVBKHF-GFCCVEGCSA-N 1 0 266.385 2.219 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)CN2CCCCC2)c1 ZINC000037153259 524756317 /nfs/dbraw/zinc/75/63/17/524756317.db2.gz QMSMNZIMDWTLDX-CYBMUJFWSA-N 1 0 278.396 2.365 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)cc1C ZINC000291022854 525316970 /nfs/dbraw/zinc/31/69/70/525316970.db2.gz AMZLUFXKZJQYQP-ZDUSSCGKSA-N 1 0 285.334 2.459 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000279709354 525342370 /nfs/dbraw/zinc/34/23/70/525342370.db2.gz SHXYKRFMWVMQMO-CJNGLKHVSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cnn(C)c2)c1 ZINC000128119629 525359004 /nfs/dbraw/zinc/35/90/04/525359004.db2.gz WNVYOIFFEFVXDG-GFCCVEGCSA-N 1 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ZINC001021762804 623467245 /nfs/dbraw/zinc/46/72/45/623467245.db2.gz MULKYGYXCKLHHV-GASCZTMLSA-N 1 0 288.391 2.150 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)c1coc(C[NH3+])c1 ZINC000187580604 623698740 /nfs/dbraw/zinc/69/87/40/623698740.db2.gz LICGFGWVOZTNJN-UHFFFAOYSA-N 1 0 288.347 2.496 20 10 CECDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891475489 623734434 /nfs/dbraw/zinc/73/44/34/623734434.db2.gz GLXYSRKSSRENTE-WCQYABFASA-N 1 0 295.379 2.409 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000187705736 623925809 /nfs/dbraw/zinc/92/58/09/623925809.db2.gz HJSCCBYYFAJAEI-QGZVFWFLSA-N 1 0 292.423 2.284 20 10 CECDRO CCOC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000044690214 624466146 /nfs/dbraw/zinc/46/61/46/624466146.db2.gz IEFNKMDOBZOJOA-CQSZACIVSA-N 1 0 278.396 2.038 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCN(C)C2)cc1 ZINC000049084094 624522718 /nfs/dbraw/zinc/52/27/18/624522718.db2.gz XQPOWHJZNAZKFX-HNNXBMFYSA-N 1 0 261.413 2.327 20 10 CECDRO Cc1cc(N)nc(NCCCSc2nccs2)[nH+]1 ZINC000892515215 625848385 /nfs/dbraw/zinc/84/83/85/625848385.db2.gz IXVGRGJBEWPXQZ-UHFFFAOYSA-N 1 0 281.410 2.418 20 10 CECDRO COc1ccc(C[NH2+]Cc2nc(C)cs2)c(O)c1OC ZINC000892532500 625914801 /nfs/dbraw/zinc/91/48/01/625914801.db2.gz CRRGIGFACRQAAH-UHFFFAOYSA-N 1 0 294.376 2.464 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCOC[C@H]2C)c1O ZINC000311520583 627675093 /nfs/dbraw/zinc/67/50/93/627675093.db2.gz VLSHYDNGTZJHOM-DGCLKSJQSA-N 1 0 265.353 2.306 20 10 CECDRO CC(=O)OC[C@H](C)[NH2+]CCCSc1nccs1 ZINC000893045791 627965460 /nfs/dbraw/zinc/96/54/60/627965460.db2.gz XSUWYEWZRMCSKS-VIFPVBQESA-N 1 0 274.411 2.167 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC)C2(C)C)c(O)c1OC ZINC000893096528 627998760 /nfs/dbraw/zinc/99/87/60/627998760.db2.gz MWPZUSAZIUTTFF-OLZOCXBDSA-N 1 0 295.379 2.313 20 10 CECDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000123835476 628460499 /nfs/dbraw/zinc/46/04/99/628460499.db2.gz BEPJBAGVEVBIFC-LBPRGKRZSA-N 1 0 265.353 2.250 20 10 CECDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000313053376 628577263 /nfs/dbraw/zinc/57/72/63/628577263.db2.gz GRIKAMPCCIWYKO-INIZCTEOSA-N 1 0 290.407 2.038 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCC(C(N)=O)CC1 ZINC000840934554 628751350 /nfs/dbraw/zinc/75/13/50/628751350.db2.gz SNKRKJLZAMSRGT-UHFFFAOYSA-N 1 0 289.423 2.195 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H](C)[S@](C)=O ZINC000840938016 628756299 /nfs/dbraw/zinc/75/62/99/628756299.db2.gz YULWNZPNGRFNLW-YJYMSZOUSA-N 1 0 282.453 2.308 20 10 CECDRO COc1ccc(N(C)CC[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000259082081 628790747 /nfs/dbraw/zinc/79/07/47/628790747.db2.gz SUEAWAGTPRURTP-GFCCVEGCSA-N 1 0 264.369 2.140 20 10 CECDRO C[C@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1O ZINC000925800839 628848038 /nfs/dbraw/zinc/84/80/38/628848038.db2.gz YBGQMORWEXJOOS-UONOGXRCSA-N 1 0 290.407 2.202 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CC(CO)(c3ccccc3)C2)c1 ZINC000840969772 628953125 /nfs/dbraw/zinc/95/31/25/628953125.db2.gz KBXKPOZYPHPSRK-UHFFFAOYSA-N 1 0 283.371 2.447 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)c(O)c1OC ZINC000893899726 629033367 /nfs/dbraw/zinc/03/33/67/629033367.db2.gz HLSBURFUYXMIOX-BXUZGUMPSA-N 1 0 295.379 2.266 20 10 CECDRO COc1ccc(C[NH2+]CC2(SC)CC2)c(O)c1OC ZINC000894105735 629132605 /nfs/dbraw/zinc/13/26/05/629132605.db2.gz DXHVNLCBINOOGM-UHFFFAOYSA-N 1 0 283.393 2.395 20 10 CECDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2cc3c(cc2O)OCO3)C1 ZINC000841105894 629165919 /nfs/dbraw/zinc/16/59/19/629165919.db2.gz BNVYMLBNSTWMIC-CYBMUJFWSA-N 1 0 298.342 2.011 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)C1(C[NH3+])CCCC1 ZINC000237081490 629187565 /nfs/dbraw/zinc/18/75/65/629187565.db2.gz GZUSHNXIURDVIE-UHFFFAOYSA-N 1 0 289.423 2.196 20 10 CECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000178900527 629265915 /nfs/dbraw/zinc/26/59/15/629265915.db2.gz BIFSFNSSMXSICC-INIZCTEOSA-N 1 0 293.363 2.094 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1COCCO1)c1ccc(C)cc1O ZINC000794798810 629324307 /nfs/dbraw/zinc/32/43/07/629324307.db2.gz YTKPCXNXOGTBKN-GXTWGEPZSA-N 1 0 265.353 2.157 20 10 CECDRO CC[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(C)cc1O ZINC000794815021 629327364 /nfs/dbraw/zinc/32/73/64/629327364.db2.gz HBNMINGVLHAFNQ-LBPRGKRZSA-N 1 0 264.369 2.253 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c(O)c1 ZINC000794828726 629332320 /nfs/dbraw/zinc/33/23/20/629332320.db2.gz NAUYICBHIQUSJE-LBPRGKRZSA-N 1 0 297.420 2.319 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCc2nnc3ccccn32)cc1 ZINC000017318930 629400725 /nfs/dbraw/zinc/40/07/25/629400725.db2.gz CQYZBYGHFZYSPO-UHFFFAOYSA-N 1 0 295.390 2.128 20 10 CECDRO CCC[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)OC ZINC000894664607 629579445 /nfs/dbraw/zinc/57/94/45/629579445.db2.gz VDUGNCPAOKATBC-GFCCVEGCSA-N 1 0 283.368 2.314 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCCOC(F)F)c1O ZINC000894678714 629585351 /nfs/dbraw/zinc/58/53/51/629585351.db2.gz DYPJJNIOHXEAFP-UHFFFAOYSA-N 1 0 275.295 2.428 20 10 CECDRO CCC1([NH2+]Cc2ccc(OC)c(OC)c2O)CC1 ZINC000894682617 629588192 /nfs/dbraw/zinc/58/81/92/629588192.db2.gz BQENDMLWFHAXFS-UHFFFAOYSA-N 1 0 251.326 2.442 20 10 CECDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894783319 629640182 /nfs/dbraw/zinc/64/01/82/629640182.db2.gz VXVFTCOEHAPEOP-CHWSQXEVSA-N 1 0 295.379 2.457 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCO[C@H]2CCCCO2)c1 ZINC000894799920 629647616 /nfs/dbraw/zinc/64/76/16/629647616.db2.gz QCWJXDYZKGTZEF-INIZCTEOSA-N 1 0 295.379 2.424 20 10 CECDRO Cc1ccc(C[NH2+]CCO[C@@H]2CCCCO2)c(O)c1 ZINC000894793858 629650168 /nfs/dbraw/zinc/65/01/68/629650168.db2.gz KZVNNYCQYBOXMI-OAHLLOKOSA-N 1 0 265.353 2.333 20 10 CECDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@@H]1COCO1 ZINC000894868889 629706338 /nfs/dbraw/zinc/70/63/38/629706338.db2.gz MYYJVUUFVQHGNJ-MRXNPFEDSA-N 1 0 276.380 2.139 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC2=CCOCC2)c1O ZINC000894872990 629708671 /nfs/dbraw/zinc/70/86/71/629708671.db2.gz DWWSPAALRASXEW-UHFFFAOYSA-N 1 0 263.337 2.146 20 10 CECDRO COc1cc(C)cc(C[NH+]2CC(c3nc(C)no3)C2)c1O ZINC000894970714 629773422 /nfs/dbraw/zinc/77/34/22/629773422.db2.gz LQVVESZIKWKPLV-UHFFFAOYSA-N 1 0 289.335 2.000 20 10 CECDRO Cc1nnc([C@H]2CC[N@H+](Cc3cc(C)c(C)cc3O)C2)[nH]1 ZINC000895008032 629799491 /nfs/dbraw/zinc/79/94/91/629799491.db2.gz PTDRKZAJVFSMSS-ZDUSSCGKSA-N 1 0 286.379 2.425 20 10 CECDRO CC[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C)C(=O)OC ZINC000895127664 629931810 /nfs/dbraw/zinc/93/18/10/629931810.db2.gz MXMJRKKQTLZCRZ-ZDUSSCGKSA-N 1 0 278.396 2.350 20 10 CECDRO COc1cccc(C[N@@H+]2CCCCC[C@H]2CO)c1O ZINC000895152389 629967998 /nfs/dbraw/zinc/96/79/98/629967998.db2.gz UPAWWAQRYWELHB-ZDUSSCGKSA-N 1 0 265.353 2.138 20 10 CECDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2CO)c(O)c1OC ZINC000895193309 630025235 /nfs/dbraw/zinc/02/52/35/630025235.db2.gz TZQPTRHKAPHYPH-ZDUSSCGKSA-N 1 0 295.379 2.146 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1O ZINC000797071303 630125152 /nfs/dbraw/zinc/12/51/52/630125152.db2.gz RFDUDFZXJYRDEU-DGCLKSJQSA-N 1 0 297.420 2.399 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1O ZINC000895407105 630170875 /nfs/dbraw/zinc/17/08/75/630170875.db2.gz ZKBYJSQOYFRFAK-KGLIPLIRSA-N 1 0 277.364 2.366 20 10 CECDRO OC1CCN(c2ccc(C[NH2+]CC3CSC3)cc2)CC1 ZINC000895423823 630186467 /nfs/dbraw/zinc/18/64/67/630186467.db2.gz WVCDFTVDMHXDNK-UHFFFAOYSA-N 1 0 292.448 2.100 20 10 CECDRO CC1=C[C@H](C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000797419428 630232899 /nfs/dbraw/zinc/23/28/99/630232899.db2.gz LPZCKAFTRTVKMQ-ZUZCIYMTSA-N 1 0 275.348 2.216 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(O)c1OC ZINC000895634924 630276523 /nfs/dbraw/zinc/27/65/23/630276523.db2.gz OTAMYPGXGPZNTN-GXTWGEPZSA-N 1 0 293.363 2.067 20 10 CECDRO COc1ccc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c(O)c1OC ZINC000895625008 630278094 /nfs/dbraw/zinc/27/80/94/630278094.db2.gz SBRBWHCXXSYWEZ-RMIALFOJSA-N 1 0 295.379 2.311 20 10 CECDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c(O)c(C(C)(C)C)c1 ZINC000895652965 630294607 /nfs/dbraw/zinc/29/46/07/630294607.db2.gz KKINKQFBMXDVJH-SJCJKPOMSA-N 1 0 291.391 2.265 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000895844968 630368538 /nfs/dbraw/zinc/36/85/38/630368538.db2.gz GGPKRYXAEGYLJA-WBMJQRKESA-N 1 0 277.364 2.402 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@@H]1CCCOC1 ZINC000895857384 630379290 /nfs/dbraw/zinc/37/92/90/630379290.db2.gz BLYPNKYOGBYRLK-CABCVRRESA-N 1 0 279.380 2.232 20 10 CECDRO Cc1cc(O)c(C[NH2+]C2CC(CC(N)=O)C2)cc1Cl ZINC000896407666 630555613 /nfs/dbraw/zinc/55/56/13/630555613.db2.gz UYHIHDNMNXZMEK-UHFFFAOYSA-N 1 0 282.771 2.098 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c(O)c1OC ZINC000896409433 630556520 /nfs/dbraw/zinc/55/65/20/630556520.db2.gz MQVPVKDDJLREJV-DOMZBBRYSA-N 1 0 293.363 2.067 20 10 CECDRO COc1cccc(C[NH2+][C@]23CCC[C@@]2(OC)OCC3)c1O ZINC000896413900 630558009 /nfs/dbraw/zinc/55/80/09/630558009.db2.gz ZSBORKQSVLBQJC-JKSUJKDBSA-N 1 0 293.363 2.176 20 10 CECDRO CO[C@]12CCC[C@@]1([NH2+]Cc1ccc3c(c1)CCO3)CCO2 ZINC000896413217 630558118 /nfs/dbraw/zinc/55/81/18/630558118.db2.gz LYTUKQVHUCHHMR-SJORKVTESA-N 1 0 289.375 2.397 20 10 CECDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cc(C)ccc3O)C[C@@H]21 ZINC000896448067 630568506 /nfs/dbraw/zinc/56/85/06/630568506.db2.gz BEQDGDXPZYOMAT-IJEWVQPXSA-N 1 0 289.375 2.332 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c1 ZINC000896671183 630629769 /nfs/dbraw/zinc/62/97/69/630629769.db2.gz IEYNWNOPBWLKQV-INIZCTEOSA-N 1 0 295.379 2.075 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1CC[NH3+] ZINC000903977377 635395024 /nfs/dbraw/zinc/39/50/24/635395024.db2.gz PZGUXOMFHSMAOC-GHMZBOCLSA-N 1 0 268.788 2.462 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC000896855909 630693809 /nfs/dbraw/zinc/69/38/09/630693809.db2.gz YTNODFOUIBMNSF-LNSITVRQSA-N 1 0 275.348 2.082 20 10 CECDRO COc1ccc2c(c1)CCN2C[C@@]1(C)CCC[NH2+]C1 ZINC000904301661 635553748 /nfs/dbraw/zinc/55/37/48/635553748.db2.gz MDPIBKXOJZULSB-INIZCTEOSA-N 1 0 260.381 2.447 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)COC(C)C)c1 ZINC000800238249 631101029 /nfs/dbraw/zinc/10/10/29/631101029.db2.gz QTBWMGJQQNDZBX-NSHDSACASA-N 1 0 253.342 2.304 20 10 CECDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000897344535 631150216 /nfs/dbraw/zinc/15/02/16/631150216.db2.gz DLWGRQMPMDUILX-CQSZACIVSA-N 1 0 276.380 2.095 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)cc1O ZINC000841747535 631575477 /nfs/dbraw/zinc/57/54/77/631575477.db2.gz CFYDCDGUSUQFSM-KOLCDFICSA-N 1 0 294.782 2.460 20 10 CECDRO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCC(=O)NC ZINC000897710036 631882396 /nfs/dbraw/zinc/88/23/96/631882396.db2.gz WCVAZMFLRRKLDL-VOTSOKGWSA-N 1 0 289.423 2.224 20 10 CECDRO Cc1cccc(O)c1C[NH2+]Cc1cnn(CCF)c1 ZINC000897733344 631906321 /nfs/dbraw/zinc/90/63/21/631906321.db2.gz VDHSUSSTFLNUEM-UHFFFAOYSA-N 1 0 263.316 2.156 20 10 CECDRO OC1CC2(C[C@@H]2[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000897841615 631940503 /nfs/dbraw/zinc/94/05/03/631940503.db2.gz OUVBDGZANDKCSM-SIWZUTFBSA-N 1 0 259.349 2.015 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CC23CC(O)C3)cc1 ZINC000897843947 631941634 /nfs/dbraw/zinc/94/16/34/631941634.db2.gz KBXHXAWYORUKFS-PXIZFIGSSA-N 1 0 272.392 2.269 20 10 CECDRO COC(=O)C[C@H]([NH2+]Cc1cc(OC)ccc1O)C(C)(C)C ZINC000897889627 631963110 /nfs/dbraw/zinc/96/31/10/631963110.db2.gz WCHBZPQDHCTBDZ-AWEZNQCLSA-N 1 0 295.379 2.468 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(C)(=O)=O)c1O ZINC000808683846 632000579 /nfs/dbraw/zinc/00/05/79/632000579.db2.gz KIVAYRQNJWQWBU-SECBINFHSA-N 1 0 291.800 2.049 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(CCO)C2)c1 ZINC000898010572 632001243 /nfs/dbraw/zinc/00/12/43/632001243.db2.gz LVZCHZQRSKXRPP-VOMCLLRMSA-N 1 0 265.353 2.212 20 10 CECDRO COC[C@H](O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808709941 632003751 /nfs/dbraw/zinc/00/37/51/632003751.db2.gz JIMLKGZUGNTZQW-ZYHUDNBSSA-N 1 0 287.787 2.402 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC[C@H](O)C2CC2)c1 ZINC000898206754 632086309 /nfs/dbraw/zinc/08/63/09/632086309.db2.gz VFCRDDOBBXYJTJ-HNNXBMFYSA-N 1 0 265.353 2.042 20 10 CECDRO COc1cccc(O)c1CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000809724185 632133378 /nfs/dbraw/zinc/13/33/78/632133378.db2.gz GBPSQPZUAYCSQL-UKRRQHHQSA-N 1 0 290.407 2.459 20 10 CECDRO Cc1ccc(O)c(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000809738022 632135508 /nfs/dbraw/zinc/13/55/08/632135508.db2.gz PKNMBPRGBPRGMN-INIZCTEOSA-N 1 0 292.423 2.243 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H](O)C(F)(F)F)c1 ZINC000809742647 632136330 /nfs/dbraw/zinc/13/63/30/632136330.db2.gz CCGVUTANUZECDB-GFCCVEGCSA-N 1 0 293.285 2.194 20 10 CECDRO COc1cc(O)c(C[N@H+](C)[C@@H](CO)CC(C)C)cc1OC ZINC000809766898 632143051 /nfs/dbraw/zinc/14/30/51/632143051.db2.gz BPABRHUNOXIGNA-CYBMUJFWSA-N 1 0 297.395 2.248 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccccc1O ZINC000810242988 632197568 /nfs/dbraw/zinc/19/75/68/632197568.db2.gz VJIYZUGXXMXQRG-LBPRGKRZSA-N 1 0 284.359 2.271 20 10 CECDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000322574499 632223628 /nfs/dbraw/zinc/22/36/28/632223628.db2.gz ZVPGDWLNUVXFMH-AWEZNQCLSA-N 1 0 289.423 2.291 20 10 CECDRO CN(C)c1ccc([C@H](C[NH2+][C@@H]2CCSC2)N(C)C)cc1 ZINC000898451353 632500360 /nfs/dbraw/zinc/50/03/60/632500360.db2.gz YCKGEXWUAOYKAK-ZBFHGGJFSA-N 1 0 293.480 2.450 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)cc1F ZINC000812779586 632577131 /nfs/dbraw/zinc/57/71/31/632577131.db2.gz SILZYIIXEXPPMO-AWEZNQCLSA-N 1 0 266.360 2.237 20 10 CECDRO COCC(C)(C)C[NH2+]Cc1c(O)cccc1OC ZINC000813790284 632735090 /nfs/dbraw/zinc/73/50/90/632735090.db2.gz LRMDYLSJUNDVKT-UHFFFAOYSA-N 1 0 253.342 2.163 20 10 CECDRO C[N@@H+]1C[C@H]2CCN(Cc3cc(Cl)ccc3O)[C@H]2C1 ZINC000814173227 632798786 /nfs/dbraw/zinc/79/87/86/632798786.db2.gz HZSCPGPUWAVGLY-MFKMUULPSA-N 1 0 266.772 2.182 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826853534 635861629 /nfs/dbraw/zinc/86/16/29/635861629.db2.gz VYZVEGRHKQBVSV-OAHLLOKOSA-N 1 0 299.422 2.175 20 10 CECDRO CNC(=O)C1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCCC1 ZINC000815069325 632953688 /nfs/dbraw/zinc/95/36/88/632953688.db2.gz DVEVWJFISAUXMJ-UHFFFAOYSA-N 1 0 289.423 2.209 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)ccc1N(C)C ZINC000815095169 632957790 /nfs/dbraw/zinc/95/77/90/632957790.db2.gz AMUJVLPQKGKLMP-WBMJQRKESA-N 1 0 289.423 2.147 20 10 CECDRO CC[C@]1(O)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815096990 632957832 /nfs/dbraw/zinc/95/78/32/632957832.db2.gz YCMUJGJOYCDKON-INIZCTEOSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2COCCO2)c(O)c1 ZINC000815561483 633031226 /nfs/dbraw/zinc/03/12/26/633031226.db2.gz IHKXOEZXWVJVDW-OLZOCXBDSA-N 1 0 265.353 2.075 20 10 CECDRO CN(C)C(=O)OC1CC[NH+](Cc2ccccc2O)CC1 ZINC000816655287 633457803 /nfs/dbraw/zinc/45/78/03/633457803.db2.gz ZVDZPSBHBOWPAE-UHFFFAOYSA-N 1 0 278.352 2.055 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c(O)c1 ZINC000816667146 633460452 /nfs/dbraw/zinc/46/04/52/633460452.db2.gz DSVBQHFCFKVJDE-CYBMUJFWSA-N 1 0 265.353 2.138 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1 ZINC000817412016 633650522 /nfs/dbraw/zinc/65/05/22/633650522.db2.gz BEWFLNZMSFADKR-JOCQHMNTSA-N 1 0 276.380 2.082 20 10 CECDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000817413330 633651700 /nfs/dbraw/zinc/65/17/00/633651700.db2.gz WKPKYSJEJLZCIT-WDEREUQCSA-N 1 0 269.772 2.496 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@H](CO)C[C@H](C)C2)cc1C ZINC000817413087 633652370 /nfs/dbraw/zinc/65/23/70/633652370.db2.gz SWGOSUCSOFMMOP-SMDDNHRTSA-N 1 0 263.381 2.459 20 10 CECDRO CCOc1ccc(CN(C)C[C@@H]2CCC[N@@H+]2C)c(O)c1 ZINC000817417587 633656513 /nfs/dbraw/zinc/65/65/13/633656513.db2.gz PZFYCVXCICBJLY-AWEZNQCLSA-N 1 0 278.396 2.317 20 10 CECDRO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000817943275 633791211 /nfs/dbraw/zinc/79/12/11/633791211.db2.gz TWELOXKFWTWTJZ-OIISXLGYSA-N 1 0 291.439 2.300 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)N[C@@H]2CC[NH2+]C2)c1O ZINC000817945231 633792553 /nfs/dbraw/zinc/79/25/53/633792553.db2.gz XOXIXDMJNCOJSJ-MWLCHTKSSA-N 1 0 254.761 2.367 20 10 CECDRO C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817984972 633828293 /nfs/dbraw/zinc/82/82/93/633828293.db2.gz DDYGTZUASMTIRI-LLVKDONJSA-N 1 0 291.351 2.261 20 10 CECDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000818941252 634011080 /nfs/dbraw/zinc/01/10/80/634011080.db2.gz GOYSTOQNVWOBSE-MRXNPFEDSA-N 1 0 280.412 2.018 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc1 ZINC000818941363 634011368 /nfs/dbraw/zinc/01/13/68/634011368.db2.gz IFXYZLLHALTIQZ-LBPRGKRZSA-N 1 0 276.302 2.156 20 10 CECDRO COC[C@@H](O)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000819039816 634048645 /nfs/dbraw/zinc/04/86/45/634048645.db2.gz UHLJNLCPEKARSH-KRWDZBQOSA-N 1 0 292.423 2.020 20 10 CECDRO CC[C@H](O)C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000819376759 634161630 /nfs/dbraw/zinc/16/16/30/634161630.db2.gz IUELXBBVTYSHHS-CJNGLKHVSA-N 1 0 264.413 2.353 20 10 CECDRO CC[NH+](CC)CCOc1ccccc1NC[C@@H](C)O ZINC000819435471 634181599 /nfs/dbraw/zinc/18/15/99/634181599.db2.gz MTIUDZQEOUKTSP-CYBMUJFWSA-N 1 0 266.385 2.200 20 10 CECDRO CC(C)[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1nncn1C ZINC000903066485 634952626 /nfs/dbraw/zinc/95/26/26/634952626.db2.gz VKOVODOKTCWHEX-WFASDCNBSA-N 1 0 286.379 2.495 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cnn(CCF)c1 ZINC000903717081 635232003 /nfs/dbraw/zinc/23/20/03/635232003.db2.gz ZHNCPIOQHMPUIT-UHFFFAOYSA-N 1 0 288.370 2.264 20 10 CECDRO Cc1cccc(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903981546 635396941 /nfs/dbraw/zinc/39/69/41/635396941.db2.gz FYIOGZZMKARKRT-GHMZBOCLSA-N 1 0 274.286 2.022 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903987039 635405772 /nfs/dbraw/zinc/40/57/72/635405772.db2.gz XGYPUDWTTHRHAK-HNNXBMFYSA-N 1 0 261.413 2.230 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCCCNC2=O)cc1Cl ZINC000824645395 635469997 /nfs/dbraw/zinc/46/99/97/635469997.db2.gz HLXJXJHLLPNIII-ZDUSSCGKSA-N 1 0 296.798 2.455 20 10 CECDRO Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1O ZINC000824653942 635471534 /nfs/dbraw/zinc/47/15/34/635471534.db2.gz JSDVBNNLCRPBMJ-BZUAXINKSA-N 1 0 291.391 2.062 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC2(CO)CC2)cc1F ZINC000825040678 635546685 /nfs/dbraw/zinc/54/66/85/635546685.db2.gz SGHJRKAPJMJPFQ-UHFFFAOYSA-N 1 0 266.360 2.144 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c1O ZINC000825130373 635576357 /nfs/dbraw/zinc/57/63/57/635576357.db2.gz WZTCQOIJUHSAMZ-BXUZGUMPSA-N 1 0 299.798 2.326 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)cc1Cl ZINC000825291354 635606481 /nfs/dbraw/zinc/60/64/81/635606481.db2.gz KAQQMVIBSRAYNN-GFCCVEGCSA-N 1 0 296.798 2.453 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H](CCCO)C2)c(O)c1 ZINC000825338667 635620044 /nfs/dbraw/zinc/62/00/44/635620044.db2.gz SWDSQVAALZTBQJ-ZDUSSCGKSA-N 1 0 279.380 2.385 20 10 CECDRO C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1C[NH3+] ZINC000904412408 635620542 /nfs/dbraw/zinc/62/05/42/635620542.db2.gz VISJPLGYSKDOIO-QWRGUYRKSA-N 1 0 268.788 2.462 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)N(C)C)cc1Cl ZINC000825425549 635636119 /nfs/dbraw/zinc/63/61/19/635636119.db2.gz BTFZGMROEJHVOG-SNVBAGLBSA-N 1 0 256.777 2.394 20 10 CECDRO Nc1nc(NCc2ccccc2O)c2c([nH+]1)CCCC2 ZINC000825668052 635690747 /nfs/dbraw/zinc/69/07/47/635690747.db2.gz LSRKTBDNWVFPNK-UHFFFAOYSA-N 1 0 270.336 2.255 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000825973923 635739924 /nfs/dbraw/zinc/73/99/24/635739924.db2.gz TUVLFSZMPNLRNX-DOTOQJQBSA-N 1 0 289.423 2.276 20 10 CECDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826049759 635752759 /nfs/dbraw/zinc/75/27/59/635752759.db2.gz ZDNOVWBMEJUTRP-NHYWBVRUSA-N 1 0 299.798 2.495 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2COC(C)(C)C2)cc1OC ZINC000826796877 635848846 /nfs/dbraw/zinc/84/88/46/635848846.db2.gz OPRAWQUOWSEHAP-LLVKDONJSA-N 1 0 281.352 2.067 20 10 CECDRO CO[C@@]1(CO)CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000826952922 636169447 /nfs/dbraw/zinc/16/94/47/636169447.db2.gz XEHXELMPZKKUSR-HNNXBMFYSA-N 1 0 299.798 2.327 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@H]2COCCO2)c1O ZINC000827140539 636234172 /nfs/dbraw/zinc/23/41/72/636234172.db2.gz LFASDSPVERHSSO-ZDUSSCGKSA-N 1 0 285.771 2.201 20 10 CECDRO CCn1cc[nH+]c1NCc1cc(F)cc(F)c1O ZINC000905414385 636264475 /nfs/dbraw/zinc/26/44/75/636264475.db2.gz KUFGVKCLQIWYJV-UHFFFAOYSA-N 1 0 253.252 2.499 20 10 CECDRO Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(F)ccc1O ZINC000827251791 636269267 /nfs/dbraw/zinc/26/92/67/636269267.db2.gz NPNCIMUMDMBLKD-UHFFFAOYSA-N 1 0 275.327 2.432 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c1O ZINC000827282804 636279353 /nfs/dbraw/zinc/27/93/53/636279353.db2.gz NICJETHUWHXDEM-XJKSGUPXSA-N 1 0 277.364 2.259 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1Cl ZINC000827293342 636282289 /nfs/dbraw/zinc/28/22/89/636282289.db2.gz XYLYZNYDXMZTRY-SMDDNHRTSA-N 1 0 267.756 2.311 20 10 CECDRO C[C@@H](O)C1([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000827585632 636359856 /nfs/dbraw/zinc/35/98/56/636359856.db2.gz NCYUMFFWBNFDQZ-MRVPVSSYSA-N 1 0 286.169 2.158 20 10 CECDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827662398 636380620 /nfs/dbraw/zinc/38/06/20/636380620.db2.gz QISXTXJJFXGONV-ZFWWWQNUSA-N 1 0 274.408 2.393 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000905737894 636425255 /nfs/dbraw/zinc/42/52/55/636425255.db2.gz JDMMLYCSYCDHLA-GFCCVEGCSA-N 1 0 261.365 2.492 20 10 CECDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000827812636 636430982 /nfs/dbraw/zinc/43/09/82/636430982.db2.gz SNVCFMRSVIBVFS-JLIMDTESSA-N 1 0 269.728 2.087 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+](C)C2(CO)CC2)c1O ZINC000827903601 636455889 /nfs/dbraw/zinc/45/58/89/636455889.db2.gz LLIVJLUCCIYPFO-UHFFFAOYSA-N 1 0 255.745 2.311 20 10 CECDRO CCOc1ccc(C[N@H+](C)C2(CO)CCC2)c(O)c1 ZINC000827903428 636456584 /nfs/dbraw/zinc/45/65/84/636456584.db2.gz HOQQKIWIRHLSOS-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO CCN(C)c1ccc(Cn2cc(C[NH2+]C(C)C)nn2)cc1 ZINC000905801447 636466815 /nfs/dbraw/zinc/46/68/15/636466815.db2.gz FIVRIJPHRHBVRS-UHFFFAOYSA-N 1 0 287.411 2.281 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000828144362 636521789 /nfs/dbraw/zinc/52/17/89/636521789.db2.gz DAECABJXORRNFX-OCCSQVGLSA-N 1 0 276.380 2.129 20 10 CECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1COCCO1 ZINC000829516014 636873124 /nfs/dbraw/zinc/87/31/24/636873124.db2.gz MPTBWFTYDCTXCA-OAHLLOKOSA-N 1 0 279.380 2.410 20 10 CECDRO COC(=O)c1cnc(SCC[NH+]2CCCC2)s1 ZINC000829684449 636909903 /nfs/dbraw/zinc/90/99/03/636909903.db2.gz OMUYDLKZHVBYHO-UHFFFAOYSA-N 1 0 272.395 2.118 20 10 CECDRO Cc1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)c(O)c1 ZINC000876542632 650314169 /nfs/dbraw/zinc/31/41/69/650314169.db2.gz RAJCKVOYJQRYDJ-UHFFFAOYSA-N 1 0 276.380 2.001 20 10 CECDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(N)cc1 ZINC000832250695 637526830 /nfs/dbraw/zinc/52/68/30/637526830.db2.gz YLZHQXYJZLVYJI-OAHLLOKOSA-N 1 0 291.395 2.001 20 10 CECDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCc2cc(F)c(F)cc21 ZINC000876588432 650347094 /nfs/dbraw/zinc/34/70/94/650347094.db2.gz VFBWQLKCWGXQBS-BYCRGOAPSA-N 1 0 292.329 2.410 20 10 CECDRO Cc1ccc(C[NH+]2CCC(c3nncn3C)CC2)c(O)c1 ZINC000876610866 650358025 /nfs/dbraw/zinc/35/80/25/650358025.db2.gz KQMOJSFENIEZHL-UHFFFAOYSA-N 1 0 286.379 2.209 20 10 CECDRO Cc1ccc2c(c1)N(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)CC2 ZINC000876630882 650367693 /nfs/dbraw/zinc/36/76/93/650367693.db2.gz MXMWCDIHKAVJRK-VSKVDJIOSA-N 1 0 270.376 2.440 20 10 CECDRO COCCOC[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834667881 637912513 /nfs/dbraw/zinc/91/25/13/637912513.db2.gz CPLIKRGHCCOIDC-DGCLKSJQSA-N 1 0 265.353 2.021 20 10 CECDRO CC[C@@H]([NH2+]C(COC)COC)c1ccc(N(C)C)cc1 ZINC000834893808 637980542 /nfs/dbraw/zinc/98/05/42/637980542.db2.gz XTVQVMKYBSTOCA-MRXNPFEDSA-N 1 0 280.412 2.455 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CC(=O)NC)cc1 ZINC000834898762 637981214 /nfs/dbraw/zinc/98/12/14/637981214.db2.gz GNFAGTNTIRQGMT-QWHCGFSZSA-N 1 0 277.412 2.318 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c(O)c1 ZINC000834909633 637984751 /nfs/dbraw/zinc/98/47/51/637984751.db2.gz STKFABQJUNIZJT-MLGOLLRUSA-N 1 0 276.380 2.328 20 10 CECDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccccc2O)cn1 ZINC000834908123 637985219 /nfs/dbraw/zinc/98/52/19/637985219.db2.gz HAASDHJDDIFJNS-LBPRGKRZSA-N 1 0 257.337 2.384 20 10 CECDRO CNC(=O)[C@H](C)C[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835027945 638030286 /nfs/dbraw/zinc/03/02/86/638030286.db2.gz FJVGKZOXCUJNRZ-PSKZRQQASA-N 1 0 289.423 2.080 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCN(C)C2)cc1 ZINC000835036141 638032729 /nfs/dbraw/zinc/03/27/29/638032729.db2.gz ACVDPIFMSALRJI-MBVDDHJVSA-N 1 0 259.397 2.060 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CO)C2CC2)cc1 ZINC000835039336 638033828 /nfs/dbraw/zinc/03/38/28/638033828.db2.gz DIKSSRWORDNBSI-QGZUEGPWSA-N 1 0 260.381 2.126 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039103 638034004 /nfs/dbraw/zinc/03/40/04/638034004.db2.gz AZVUGMZLHUHZSA-PCXLQKCLSA-N 1 0 294.464 2.468 20 10 CECDRO C[C@H](CO)[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041432 638035038 /nfs/dbraw/zinc/03/50/38/638035038.db2.gz XHPSRQGITKLGOG-IHDARNGBSA-N 1 0 262.397 2.372 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041023 638035066 /nfs/dbraw/zinc/03/50/66/638035066.db2.gz IJPINORENFXFPJ-VOTSOKGWSA-N 1 0 289.423 2.128 20 10 CECDRO C[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N(C)C ZINC000835042822 638035149 /nfs/dbraw/zinc/03/51/49/638035149.db2.gz MJCSWIYGSXDECO-LMVHVUTASA-N 1 0 261.413 2.306 20 10 CECDRO COCC[C@@](C)(O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835040505 638035179 /nfs/dbraw/zinc/03/51/79/638035179.db2.gz QFJJCKOHKOMUMD-KEGWNNHHSA-N 1 0 292.423 2.143 20 10 CECDRO C[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC[C@@H]1O ZINC000835044874 638036138 /nfs/dbraw/zinc/03/61/38/638036138.db2.gz ACYOOHDDHUCNOS-DSLFPGPSSA-N 1 0 274.408 2.469 20 10 CECDRO Cc1n[nH]c(CC[NH2+]C/C=C\c2ccc(N(C)C)cc2)n1 ZINC000835045370 638036398 /nfs/dbraw/zinc/03/63/98/638036398.db2.gz VJNOKANRMHDXGB-PLNGDYQASA-N 1 0 285.395 2.025 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835049129 638038704 /nfs/dbraw/zinc/03/87/04/638038704.db2.gz BRHMMOZDSCRCKX-DANTVBBOSA-N 1 0 289.423 2.222 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000835054208 638040427 /nfs/dbraw/zinc/04/04/27/638040427.db2.gz SLPCABPRSIOFDE-QGZUEGPWSA-N 1 0 260.381 2.126 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2cn[nH]c2)cc1 ZINC000835057143 638041948 /nfs/dbraw/zinc/04/19/48/638041948.db2.gz YNOKILOSSSVAOX-ONEGZZNKSA-N 1 0 270.380 2.321 20 10 CECDRO COc1ccc(N(C)C(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1F ZINC000876691696 650402805 /nfs/dbraw/zinc/40/28/05/650402805.db2.gz OLBCBADNHIJYCZ-JECSTDCCSA-N 1 0 292.354 2.353 20 10 CECDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C)cc3O)[C@@H]2C1 ZINC000876815459 650443842 /nfs/dbraw/zinc/44/38/42/650443842.db2.gz YELUBYHIFIKIDG-INMHGKMJSA-N 1 0 291.391 2.469 20 10 CECDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCNc2ccccc21 ZINC000876851730 650458755 /nfs/dbraw/zinc/45/87/55/650458755.db2.gz NZTVOTFADRPGOR-MEJMFZKBSA-N 1 0 271.364 2.001 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000876900246 650478960 /nfs/dbraw/zinc/47/89/60/650478960.db2.gz WPXBRDJFUPMVJR-CQSZACIVSA-N 1 0 279.380 2.376 20 10 CECDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000055083794 639340044 /nfs/dbraw/zinc/34/00/44/639340044.db2.gz RQCVPXWWXCMTEJ-UHFFFAOYSA-N 1 0 276.384 2.074 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000044683824 639352945 /nfs/dbraw/zinc/35/29/45/639352945.db2.gz PDZQDSAWODTZPU-CQSZACIVSA-N 1 0 259.397 2.079 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(C)cc1O ZINC000876946727 650500664 /nfs/dbraw/zinc/50/06/64/650500664.db2.gz PZWWWFPPKXLJPB-GFCCVEGCSA-N 1 0 264.369 2.095 20 10 CECDRO C[NH+]1CCC(C)(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000226356279 639539440 /nfs/dbraw/zinc/53/94/40/639539440.db2.gz ZRQBDSSAZCPNMV-UHFFFAOYSA-N 1 0 276.384 2.122 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CCN1C ZINC000226612775 639555612 /nfs/dbraw/zinc/55/56/12/639555612.db2.gz WRGSLHMGTXPBLZ-GWCFXTLKSA-N 1 0 252.333 2.104 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@]2(CCO)CCOC2)c(Cl)c1 ZINC000840908925 639581368 /nfs/dbraw/zinc/58/13/68/639581368.db2.gz LXQBVVFQGKQLAA-HNNXBMFYSA-N 1 0 299.798 2.233 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCCC1 ZINC000840936302 639591107 /nfs/dbraw/zinc/59/11/07/639591107.db2.gz IXQFKWCLKIOUST-UHFFFAOYSA-N 1 0 261.413 2.246 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1cccnc1 ZINC000840938153 639592718 /nfs/dbraw/zinc/59/27/18/639592718.db2.gz ZWLSJBFOVYWSLI-KRWDZBQOSA-N 1 0 285.391 2.279 20 10 CECDRO CC[C@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840937433 639592788 /nfs/dbraw/zinc/59/27/88/639592788.db2.gz SWDXJGXYCPTKKF-HNNXBMFYSA-N 1 0 250.386 2.312 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000840939462 639593843 /nfs/dbraw/zinc/59/38/43/639593843.db2.gz USTJCLZZQSFCRW-QGZVFWFLSA-N 1 0 292.423 2.346 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2ccn(C)n2)c(Cl)c1 ZINC000840939975 639594012 /nfs/dbraw/zinc/59/40/12/639594012.db2.gz SPRRCTUCNYBXOH-UHFFFAOYSA-N 1 0 279.771 2.420 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1([S@](C)=O)CC1 ZINC000840942379 639595817 /nfs/dbraw/zinc/59/58/17/639595817.db2.gz FNSIRXURJMZZBZ-IBGZPJMESA-N 1 0 280.437 2.062 20 10 CECDRO COCC1([NH2+]Cc2ccc(N(C)C)cc2C)CCOCC1 ZINC000840950354 639599443 /nfs/dbraw/zinc/59/94/43/639599443.db2.gz MQOMWEUMJXRXKN-UHFFFAOYSA-N 1 0 292.423 2.346 20 10 CECDRO COCC[C@@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000840954711 639599995 /nfs/dbraw/zinc/59/99/95/639599995.db2.gz IROZAYYDDKMFLO-OAHLLOKOSA-N 1 0 292.423 2.285 20 10 CECDRO COCC1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000840963780 639602788 /nfs/dbraw/zinc/60/27/88/639602788.db2.gz VGKIJXFIFWYHAJ-UHFFFAOYSA-N 1 0 293.363 2.416 20 10 CECDRO CC[C@H]([NH2+]Cc1c(O)cccc1OC)[C@H](O)C(C)C ZINC000840966477 639603536 /nfs/dbraw/zinc/60/35/36/639603536.db2.gz GBWDDXLGQGAIQW-SWLSCSKDSA-N 1 0 267.369 2.286 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@H](O)C(C)C ZINC000840968278 639604793 /nfs/dbraw/zinc/60/47/93/639604793.db2.gz QDMIIMHZICAVIO-DZGCQCFKSA-N 1 0 267.369 2.286 20 10 CECDRO CC(C)[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1CCC(=O)N1 ZINC000840976688 639607878 /nfs/dbraw/zinc/60/78/78/639607878.db2.gz PXGNJGBGMXNGKH-ZDUSSCGKSA-N 1 0 280.343 2.020 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@H](N)c2ccccc2)c1 ZINC000841036116 639627371 /nfs/dbraw/zinc/62/73/71/639627371.db2.gz JYICQFGXZFXVAH-HNNXBMFYSA-N 1 0 256.349 2.490 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CN)CC(C)C)cc1C ZINC000841037625 639628961 /nfs/dbraw/zinc/62/89/61/639628961.db2.gz BQHQMTHIXUASBH-CQSZACIVSA-N 1 0 250.386 2.472 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCNC3)CC2)cc1 ZINC000841041679 639629872 /nfs/dbraw/zinc/62/98/72/639629872.db2.gz DTXQUDQOBMJOFW-OAHLLOKOSA-N 1 0 289.423 2.006 20 10 CECDRO CCC[NH2+]CCNC1CCN(c2ccc(OC)cc2)CC1 ZINC000841046650 639630763 /nfs/dbraw/zinc/63/07/63/639630763.db2.gz KMNIVYVSFLDWQT-UHFFFAOYSA-N 1 0 291.439 2.253 20 10 CECDRO CN(C)c1ccc([C@H](N)C[NH2+]C2CCSCC2)cc1 ZINC000841044592 639630927 /nfs/dbraw/zinc/63/09/27/639630927.db2.gz DMUFHMZFVLEVOJ-OAHLLOKOSA-N 1 0 279.453 2.238 20 10 CECDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccccc2O)cc1 ZINC000841044850 639631204 /nfs/dbraw/zinc/63/12/04/639631204.db2.gz ZEDVMYBIUXFPQZ-INIZCTEOSA-N 1 0 285.391 2.248 20 10 CECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841057880 639635521 /nfs/dbraw/zinc/63/55/21/639635521.db2.gz LSRCMYOUNPDCSI-SECBINFHSA-N 1 0 272.751 2.416 20 10 CECDRO CCOc1ccc(O)c(CN[C@H]2CC[NH2+]C2(C)C)c1 ZINC000841085410 639650879 /nfs/dbraw/zinc/65/08/79/639650879.db2.gz BJLHKBRTLGWHQK-AWEZNQCLSA-N 1 0 264.369 2.021 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CC(C)(C)CO)c1O ZINC000228676637 639652805 /nfs/dbraw/zinc/65/28/05/639652805.db2.gz VAFBFFHRLOZARJ-UHFFFAOYSA-N 1 0 273.760 2.162 20 10 CECDRO CCOc1cccc(C[NH2+][C@]2(C)CCO[C@H]2C)c1O ZINC000230153093 639743027 /nfs/dbraw/zinc/74/30/27/639743027.db2.gz KHFYYFRPNDHFIN-XHDPSFHLSA-N 1 0 265.353 2.448 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COC(C)(C)O2)c1 ZINC000230206459 639746562 /nfs/dbraw/zinc/74/65/62/639746562.db2.gz RBGIZOVBYZLWAR-CMPLNLGQSA-N 1 0 281.352 2.203 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@]2(C)CCO[C@H]2C)c1 ZINC000230392182 639756951 /nfs/dbraw/zinc/75/69/51/639756951.db2.gz RNMATMBKPUEZEK-HZMBPMFUSA-N 1 0 251.326 2.058 20 10 CECDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841745310 639854967 /nfs/dbraw/zinc/85/49/67/639854967.db2.gz XHHWYAKLABWUSS-DTWKUNHWSA-N 1 0 270.760 2.221 20 10 CECDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841743463 639855624 /nfs/dbraw/zinc/85/56/24/639855624.db2.gz HEQBUSHTWVDINW-SNVBAGLBSA-N 1 0 284.787 2.468 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(Cl)cc1O ZINC000841748534 639856332 /nfs/dbraw/zinc/85/63/32/639856332.db2.gz AMMCJSMZCQNGEE-OTYXRUKQSA-N 1 0 295.770 2.163 20 10 CECDRO C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(Cl)cc1O ZINC000841752062 639858855 /nfs/dbraw/zinc/85/88/55/639858855.db2.gz FOYSZFOEELTGMT-HZMBPMFUSA-N 1 0 299.798 2.484 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841763238 639860173 /nfs/dbraw/zinc/86/01/73/639860173.db2.gz LMLHXGIXEALYMC-YGRLFVJLSA-N 1 0 287.787 2.484 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)C[NH3+])cc1 ZINC000841970405 639913398 /nfs/dbraw/zinc/91/33/98/639913398.db2.gz ZYRKJFKFUSHRIE-CYBMUJFWSA-N 1 0 292.427 2.021 20 10 CECDRO CC[C@H]([NH3+])CNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000842008289 639917947 /nfs/dbraw/zinc/91/79/47/639917947.db2.gz TUJYZAROCQHSMQ-AWEZNQCLSA-N 1 0 292.427 2.021 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000842009200 639918147 /nfs/dbraw/zinc/91/81/47/639918147.db2.gz ZZNPWXAJSPIGBB-NWDGAFQWSA-N 1 0 279.384 2.050 20 10 CECDRO COc1cc(N(C)CC[C@@H]2CC[NH2+]C2)cc(OC)c1OC ZINC000842473208 640072036 /nfs/dbraw/zinc/07/20/36/640072036.db2.gz QUHQFYOZTBUEAQ-LBPRGKRZSA-N 1 0 294.395 2.148 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC2(CCC2)O1 ZINC000842644712 640133226 /nfs/dbraw/zinc/13/32/26/640133226.db2.gz TZCDLADTVGIMAS-NSHDSACASA-N 1 0 291.347 2.264 20 10 CECDRO CCCC[C@@](C)(CO)[NH2+]Cc1cccc(OC)c1O ZINC000842746123 640166959 /nfs/dbraw/zinc/16/69/59/640166959.db2.gz JRYYLBUOJGGBBI-HNNXBMFYSA-N 1 0 267.369 2.432 20 10 CECDRO Cc1ccc(C[NH2+]C[C@]2(N(C)C)CCSC2)c(O)c1 ZINC000877076750 650561968 /nfs/dbraw/zinc/56/19/68/650561968.db2.gz UOGCCBIPOWLORS-OAHLLOKOSA-N 1 0 280.437 2.228 20 10 CECDRO CN(C)c1ccc(CN2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000843043785 640250045 /nfs/dbraw/zinc/25/00/45/640250045.db2.gz BYOVYFOSZFHZHN-UHFFFAOYSA-N 1 0 287.329 2.177 20 10 CECDRO C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@H](C)[NH2+]1 ZINC000843049809 640253712 /nfs/dbraw/zinc/25/37/12/640253712.db2.gz WBEUZUKDWHPSPK-FKZIUMHTSA-N 1 0 273.424 2.448 20 10 CECDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000843054987 640257175 /nfs/dbraw/zinc/25/71/75/640257175.db2.gz BRHFXBAGRAECCE-ZDUSSCGKSA-N 1 0 265.376 2.076 20 10 CECDRO CCN(CC)c1ccc(CN2CCO[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000843056918 640260360 /nfs/dbraw/zinc/26/03/60/640260360.db2.gz CAYZIMTZWAXRTM-PBHICJAKSA-N 1 0 291.439 2.081 20 10 CECDRO C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843057243 640260397 /nfs/dbraw/zinc/26/03/97/640260397.db2.gz HLDLCABARLOYOP-UWVGGRQHSA-N 1 0 299.212 2.324 20 10 CECDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(N(C)C)cc1C ZINC000843121326 640288988 /nfs/dbraw/zinc/28/89/88/640288988.db2.gz DGYHMQPKGIPBFT-HOCLYGCPSA-N 1 0 279.403 2.193 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C[NH3+])C2)c1O ZINC000843347007 640398642 /nfs/dbraw/zinc/39/86/42/640398642.db2.gz QMOWHEVKOJTNAH-NSHDSACASA-N 1 0 296.798 2.419 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1noc(C2CC2)n1 ZINC000843349711 640399525 /nfs/dbraw/zinc/39/95/25/640399525.db2.gz JMZZBGDZQOGBAK-UHFFFAOYSA-N 1 0 284.363 2.359 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+]CC2(C)C)c1O ZINC000843352556 640400796 /nfs/dbraw/zinc/40/07/96/640400796.db2.gz NBYMROZUNLNOQW-UHFFFAOYSA-N 1 0 296.798 2.432 20 10 CECDRO CC[C@]1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCC[NH2+]1 ZINC000843489464 640442250 /nfs/dbraw/zinc/44/22/50/640442250.db2.gz PIRCSKKSPKCJJO-BDJLRTHQSA-N 1 0 292.379 2.110 20 10 CECDRO CC[NH2+]CC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000844167206 640622026 /nfs/dbraw/zinc/62/20/26/640622026.db2.gz VVIALKZKUJAMKK-UHFFFAOYSA-N 1 0 277.412 2.101 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844461156 640736348 /nfs/dbraw/zinc/73/63/48/640736348.db2.gz ITDWAWRZQMJVKV-BETUJISGSA-N 1 0 252.308 2.450 20 10 CECDRO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(O)ccc2ccccc21 ZINC000844741344 640822982 /nfs/dbraw/zinc/82/29/82/640822982.db2.gz KXFYFBKHAVCZQS-QAJFTPDKSA-N 1 0 287.384 2.251 20 10 CECDRO [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cccc(F)c1[O-])C2 ZINC000844902625 640860989 /nfs/dbraw/zinc/86/09/89/640860989.db2.gz UBLNJPRXXOGBQN-WFASDCNBSA-N 1 0 264.344 2.092 20 10 CECDRO COc1ccc(N(C)CCN(C)CC[NH2+]C(C)(C)C)cc1 ZINC000844902855 640861565 /nfs/dbraw/zinc/86/15/65/640861565.db2.gz UVANEBZOWNGXDF-UHFFFAOYSA-N 1 0 293.455 2.451 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(CO)o2)c1 ZINC000845972375 641141607 /nfs/dbraw/zinc/14/16/07/641141607.db2.gz NTWDPSDXQZHOAM-JTQLQIEISA-N 1 0 277.320 2.337 20 10 CECDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000846019489 641154875 /nfs/dbraw/zinc/15/48/75/641154875.db2.gz ZNSDIPRVUHBVER-YPMHNXCESA-N 1 0 267.369 2.288 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CO)CCF)cc1 ZINC000846095537 641179368 /nfs/dbraw/zinc/17/93/68/641179368.db2.gz AZCJWYMMSXNCJD-VQTKUKTRSA-N 1 0 266.360 2.076 20 10 CECDRO COCCOCCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846137033 641197935 /nfs/dbraw/zinc/19/79/35/641197935.db2.gz QLUJHNPLGQRRLK-LBPRGKRZSA-N 1 0 283.368 2.105 20 10 CECDRO COCCCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846140432 641198951 /nfs/dbraw/zinc/19/89/51/641198951.db2.gz RNXIKUYQFAWFGU-NSHDSACASA-N 1 0 253.342 2.478 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)c1O ZINC000846145141 641202005 /nfs/dbraw/zinc/20/20/05/641202005.db2.gz MYINUAQMRMBVGF-UTUOFQBUSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)c1O ZINC000846152877 641204042 /nfs/dbraw/zinc/20/40/42/641204042.db2.gz VGNNQNRUNDFKQD-AAEUAGOBSA-N 1 0 292.379 2.061 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCC[C@H](C)CO)c1O ZINC000846158349 641206525 /nfs/dbraw/zinc/20/65/25/641206525.db2.gz WUZCLKQHHBOMIC-NWDGAFQWSA-N 1 0 267.369 2.460 20 10 CECDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846159263 641207076 /nfs/dbraw/zinc/20/70/76/641207076.db2.gz DXTQDGZBUNCMGP-LLVKDONJSA-N 1 0 294.395 2.214 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCc2cnccn2)c1O ZINC000846160825 641208094 /nfs/dbraw/zinc/20/80/94/641208094.db2.gz ZAIVHAFLLDNUSU-NSHDSACASA-N 1 0 273.336 2.084 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC2(CCO)CC2)c1O ZINC000846162487 641208235 /nfs/dbraw/zinc/20/82/35/641208235.db2.gz CAOAFDAFKPHLAL-NSHDSACASA-N 1 0 265.353 2.214 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC[C@@H](C)CCO)c1O ZINC000846169658 641210362 /nfs/dbraw/zinc/21/03/62/641210362.db2.gz JLHFLOGIMWUNEF-NEPJUHHUSA-N 1 0 267.369 2.460 20 10 CECDRO CCn1ccc(C[NH2+][C@H](C)c2cccc(OC)c2O)n1 ZINC000846169178 641210435 /nfs/dbraw/zinc/21/04/35/641210435.db2.gz PTZIYOZYMGULKC-LLVKDONJSA-N 1 0 275.352 2.468 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC[C@H](C)CCO)c1O ZINC000846169659 641210692 /nfs/dbraw/zinc/21/06/92/641210692.db2.gz JLHFLOGIMWUNEF-NWDGAFQWSA-N 1 0 267.369 2.460 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1O ZINC000846168450 641210779 /nfs/dbraw/zinc/21/07/79/641210779.db2.gz CTWQEYUAUZGJIG-WDEREUQCSA-N 1 0 287.363 2.332 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCc2cnc(C)cn2)c1O ZINC000846168099 641210869 /nfs/dbraw/zinc/21/08/69/641210869.db2.gz GVMLGCDLIWCJLP-GFCCVEGCSA-N 1 0 287.363 2.393 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)CCCO)c1O ZINC000846170556 641212018 /nfs/dbraw/zinc/21/20/18/641212018.db2.gz OTKZQMGRITVHJP-NWDGAFQWSA-N 1 0 267.369 2.460 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](CO)CCF)c(O)c1 ZINC000846208409 641223081 /nfs/dbraw/zinc/22/30/81/641223081.db2.gz JOWLDIACHJMNJH-VXGBXAGGSA-N 1 0 255.333 2.380 20 10 CECDRO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1O ZINC000877255451 650644333 /nfs/dbraw/zinc/64/43/33/650644333.db2.gz DGIBUIMAFKGQTE-NEBZKDRISA-N 1 0 288.391 2.490 20 10 CECDRO O=C1CCCN1CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921492185 641287617 /nfs/dbraw/zinc/28/76/17/641287617.db2.gz GRDVWZWRDSJHKA-UHFFFAOYSA-N 1 0 288.391 2.114 20 10 CECDRO CC[C@H](C(=O)NCc1cc(Cl)ccc1O)[NH+](C)C ZINC000846475811 641312163 /nfs/dbraw/zinc/31/21/63/641312163.db2.gz JYZDJQVDTDKXPH-LLVKDONJSA-N 1 0 270.760 2.002 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000179734037 641380099 /nfs/dbraw/zinc/38/00/99/641380099.db2.gz RNOMZMWUBXJFCM-CYBMUJFWSA-N 1 0 278.396 2.174 20 10 CECDRO C[N@H+](Cc1ccc[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC000180173812 641424316 /nfs/dbraw/zinc/42/43/16/641424316.db2.gz MMGJLHWRVYOPKP-UHFFFAOYSA-N 1 0 285.391 2.483 20 10 CECDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000182431072 641658052 /nfs/dbraw/zinc/65/80/52/641658052.db2.gz WVAFCWFNBOYPBC-KGLIPLIRSA-N 1 0 278.396 2.209 20 10 CECDRO CC(C)NC(=O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000184896096 641915769 /nfs/dbraw/zinc/91/57/69/641915769.db2.gz WIWGQHFEXBXCSD-GFCCVEGCSA-N 1 0 290.407 2.446 20 10 CECDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185530199 641989513 /nfs/dbraw/zinc/98/95/13/641989513.db2.gz GEJYENDEVSNJJN-VXGBXAGGSA-N 1 0 269.410 2.465 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000185777045 642027650 /nfs/dbraw/zinc/02/76/50/642027650.db2.gz IATOOUWEXZQOHM-BBRMVZONSA-N 1 0 279.380 2.140 20 10 CECDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185791786 642029286 /nfs/dbraw/zinc/02/92/86/642029286.db2.gz AJFVKUYWZVEZAR-UWVGGRQHSA-N 1 0 289.372 2.005 20 10 CECDRO CO[C@@](C)(CO)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000848559906 642053859 /nfs/dbraw/zinc/05/38/59/642053859.db2.gz VUXDZRXDWIVJDM-IUODEOHRSA-N 1 0 267.369 2.057 20 10 CECDRO C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(N(C)C)cc1 ZINC000848563994 642055236 /nfs/dbraw/zinc/05/52/36/642055236.db2.gz GKWZWYMDUCOYIS-JSGCOSHPSA-N 1 0 299.422 2.089 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(F)ccc1O ZINC000848569086 642058582 /nfs/dbraw/zinc/05/85/82/642058582.db2.gz BUIQXLRKZMCVDE-CABZTGNLSA-N 1 0 294.326 2.165 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)C(=O)N[C@@H](C)CC)c1O ZINC000848899388 642178151 /nfs/dbraw/zinc/17/81/51/642178151.db2.gz FOYSAOVVYVTXDT-NWDGAFQWSA-N 1 0 278.396 2.347 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c1O ZINC000848904264 642181814 /nfs/dbraw/zinc/18/18/14/642181814.db2.gz OSBXTBHFYIUPQA-SMDDNHRTSA-N 1 0 276.380 2.040 20 10 CECDRO CCc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)c1O ZINC000848906484 642183267 /nfs/dbraw/zinc/18/32/67/642183267.db2.gz WYVAKXUTUNCPPS-OAHLLOKOSA-N 1 0 290.407 2.301 20 10 CECDRO Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccccc1O ZINC000850113617 642584470 /nfs/dbraw/zinc/58/44/70/642584470.db2.gz OPXPCHZRIUJBNK-UHFFFAOYSA-N 1 0 285.269 2.434 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc2n1CCC2 ZINC000850139528 642592613 /nfs/dbraw/zinc/59/26/13/642592613.db2.gz QQRPLBKZDDDGCA-UHFFFAOYSA-N 1 0 284.407 2.494 20 10 CECDRO Cc1ccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c(O)c1 ZINC000877528926 650769457 /nfs/dbraw/zinc/76/94/57/650769457.db2.gz NYAOFSBGDCQIFV-CQSZACIVSA-N 1 0 271.364 2.424 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000877529632 650769514 /nfs/dbraw/zinc/76/95/14/650769514.db2.gz JODDAWHFWSXPSH-CQSZACIVSA-N 1 0 288.391 2.145 20 10 CECDRO CO[C@@H](C[NH2+]Cc1c(O)cccc1Cl)[C@H]1CCOC1 ZINC000850343762 642674148 /nfs/dbraw/zinc/67/41/48/642674148.db2.gz WNXPKAYABRKIAZ-HZMBPMFUSA-N 1 0 285.771 2.187 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H](CO)CC2CC2)c1O ZINC000850386858 642694408 /nfs/dbraw/zinc/69/44/08/642694408.db2.gz QLTJZKQTWLGSRO-ZDUSSCGKSA-N 1 0 279.380 2.289 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](OC)[C@H]2CCOC2)c1O ZINC000850484285 642729223 /nfs/dbraw/zinc/72/92/23/642729223.db2.gz GHVUCPIRMUYKDA-SLEUVZQESA-N 1 0 295.379 2.103 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3COC(C)(C)C3)C2)cc1 ZINC000850488466 642730103 /nfs/dbraw/zinc/73/01/03/642730103.db2.gz RXPQWMBENLBWJA-UONOGXRCSA-N 1 0 290.407 2.431 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C/C=C\CO)c2c1c(F)ccc2O ZINC000850507748 642734717 /nfs/dbraw/zinc/73/47/17/642734717.db2.gz HPGJXTGHONBQET-WUIHGDLDSA-N 1 0 251.301 2.218 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cc(F)ccc1O ZINC000850547816 642749659 /nfs/dbraw/zinc/74/96/59/642749659.db2.gz XDCPYHSDRBMQJT-FZZIBODNSA-N 1 0 265.328 2.485 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)OC)cc1 ZINC000850550938 642750410 /nfs/dbraw/zinc/75/04/10/642750410.db2.gz RWMVCLZQESSIMS-CYBMUJFWSA-N 1 0 293.411 2.492 20 10 CECDRO C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)[S@@](C)=O ZINC000921862889 642762348 /nfs/dbraw/zinc/76/23/48/642762348.db2.gz UJRABXAKXWQTKP-HXPMCKFVSA-N 1 0 281.421 2.258 20 10 CECDRO C[C@H](F)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877552743 650784246 /nfs/dbraw/zinc/78/42/46/650784246.db2.gz WNNALATZSSIVIW-ZDUSSCGKSA-N 1 0 280.387 2.485 20 10 CECDRO C[S@@](=O)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000922093445 642876119 /nfs/dbraw/zinc/87/61/19/642876119.db2.gz FLQHANKSPNVYJV-HXUWFJFHSA-N 1 0 293.432 2.402 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000877593514 650805027 /nfs/dbraw/zinc/80/50/27/650805027.db2.gz BUSOXQSESUZVJW-LLVKDONJSA-N 1 0 270.323 2.130 20 10 CECDRO C[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccccc1O ZINC000922330693 643034179 /nfs/dbraw/zinc/03/41/79/643034179.db2.gz YRNBFCICXAEOBT-NSHDSACASA-N 1 0 263.316 2.409 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccccn2)c1 ZINC000851900101 643214804 /nfs/dbraw/zinc/21/48/04/643214804.db2.gz PDDGCEFXMAJQKC-BDJLRTHQSA-N 1 0 288.347 2.180 20 10 CECDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000110380162 643287598 /nfs/dbraw/zinc/28/75/98/643287598.db2.gz XQZLRSLGLNJYTO-AWEZNQCLSA-N 1 0 276.384 2.217 20 10 CECDRO Cc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c(O)c1 ZINC000877636279 650827904 /nfs/dbraw/zinc/82/79/04/650827904.db2.gz RNZFSKORYDGXHV-MRXNPFEDSA-N 1 0 290.407 2.044 20 10 CECDRO C[C@@H]1C[NH+](Cc2ccc(N(C)C)cc2)C[C@@H](C)C1O ZINC000852500063 643446586 /nfs/dbraw/zinc/44/65/86/643446586.db2.gz GGMIPLDHECZDIB-CHWSQXEVSA-N 1 0 262.397 2.201 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c(O)c1 ZINC000877665890 650840856 /nfs/dbraw/zinc/84/08/56/650840856.db2.gz MUSLWOPNEINPGJ-QZTJIDSGSA-N 1 0 299.370 2.325 20 10 CECDRO CCC[C@@H](CCO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000877667063 650842012 /nfs/dbraw/zinc/84/20/12/650842012.db2.gz LESHTJWQQCUZEU-LBPRGKRZSA-N 1 0 283.368 2.050 20 10 CECDRO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000877676076 650845222 /nfs/dbraw/zinc/84/52/22/650845222.db2.gz XVFHZKVEZXJMCC-OAHLLOKOSA-N 1 0 276.380 2.191 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CC[C@@H](O)C(F)F)c1O ZINC000877677250 650845451 /nfs/dbraw/zinc/84/54/51/650845451.db2.gz QMCUDQVAFOGBPL-SNVBAGLBSA-N 1 0 279.714 2.460 20 10 CECDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000877692632 650853493 /nfs/dbraw/zinc/85/34/93/650853493.db2.gz MJOJPLBILOSHJM-MRXNPFEDSA-N 1 0 262.397 2.490 20 10 CECDRO Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)ccc1N(C)C ZINC000923292868 643645050 /nfs/dbraw/zinc/64/50/50/643645050.db2.gz KNMYAHCIQHOYEI-CVEARBPZSA-N 1 0 273.424 2.387 20 10 CECDRO Cc1cc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)ccc1N(C)C ZINC000923398928 643697103 /nfs/dbraw/zinc/69/71/03/643697103.db2.gz OSHCPQQPELHNPU-NVXWUHKLSA-N 1 0 273.424 2.374 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2Cc3cccc(O)c3C2)n1 ZINC000877703131 650859757 /nfs/dbraw/zinc/85/97/57/650859757.db2.gz SIZPUOAXGMFKGS-UHFFFAOYSA-N 1 0 256.305 2.317 20 10 CECDRO CCn1nccc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000853239591 643718789 /nfs/dbraw/zinc/71/87/89/643718789.db2.gz IKIOUEHZTADJPL-NSHDSACASA-N 1 0 275.352 2.468 20 10 CECDRO Cc1cc(O)c(CNCC23CC(C2)C[NH2+]3)c(Cl)c1 ZINC000853245976 643720841 /nfs/dbraw/zinc/72/08/41/643720841.db2.gz FMBWMGQQTYHTHW-UHFFFAOYSA-N 1 0 266.772 2.196 20 10 CECDRO C[NH2+]C[C@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000853249409 643722174 /nfs/dbraw/zinc/72/21/74/643722174.db2.gz FELNMDMNPCFNIF-AWEZNQCLSA-N 1 0 261.413 2.374 20 10 CECDRO COC(=O)C[C@](C)([NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000877707590 650863586 /nfs/dbraw/zinc/86/35/86/650863586.db2.gz XKHIVCWYVRXSAT-HNNXBMFYSA-N 1 0 281.327 2.353 20 10 CECDRO CCOC(=O)c1cc(C[NH2+]Cc2c(C)cccc2O)on1 ZINC000877711475 650865467 /nfs/dbraw/zinc/86/54/67/650865467.db2.gz KUMAHKBIRNROKT-UHFFFAOYSA-N 1 0 290.319 2.155 20 10 CECDRO COCC[N@H+](CCF)Cc1cc(C)cc(C)c1O ZINC000853548750 643812049 /nfs/dbraw/zinc/81/20/49/643812049.db2.gz NULNHEKIJTUGSW-UHFFFAOYSA-N 1 0 255.333 2.427 20 10 CECDRO COc1ccc(N2CC[C@H](N[C@H](C)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000854216634 644013325 /nfs/dbraw/zinc/01/33/25/644013325.db2.gz BNZPQFYZGXGJFZ-JKIFEVAISA-N 1 0 289.423 2.004 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)cc1 ZINC000877753362 650896961 /nfs/dbraw/zinc/89/69/61/650896961.db2.gz NPBNVFJWGWCOBX-HNNXBMFYSA-N 1 0 262.397 2.345 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2cn(C)cn2)cc1 ZINC000839149197 644158720 /nfs/dbraw/zinc/15/87/20/644158720.db2.gz OUAKWJVDCFNTPQ-PLNGDYQASA-N 1 0 284.407 2.332 20 10 CECDRO COc1cc(O)c(C[NH+]2CC3(CC(F)C3)C2)cc1OC ZINC000839140118 644171629 /nfs/dbraw/zinc/17/16/29/644171629.db2.gz NWSQDLLOEZQCLA-UHFFFAOYSA-N 1 0 281.327 2.343 20 10 CECDRO CCN(C)c1ccc(C[NH2+]C2(CO)CCSCC2)cc1 ZINC000839179753 644180896 /nfs/dbraw/zinc/18/08/96/644180896.db2.gz PECMZEBIFJNIGW-UHFFFAOYSA-N 1 0 294.464 2.490 20 10 CECDRO CCC[NH+](CCC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000754243772 644346013 /nfs/dbraw/zinc/34/60/13/644346013.db2.gz HTGRLYHLFXJFNX-UHFFFAOYSA-N 1 0 291.439 2.491 20 10 CECDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000877796605 650913820 /nfs/dbraw/zinc/91/38/20/650913820.db2.gz KGBJZLGXKPOUPV-LBPRGKRZSA-N 1 0 293.363 2.104 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H](CO)CC2CC2)cc1F ZINC000754832604 644437389 /nfs/dbraw/zinc/43/73/89/644437389.db2.gz GRWZRNIGLAHAIL-CYBMUJFWSA-N 1 0 266.360 2.142 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)cc1F ZINC000877835762 650927908 /nfs/dbraw/zinc/92/79/08/650927908.db2.gz WVFLEGFWLHSITF-CYBMUJFWSA-N 1 0 280.387 2.485 20 10 CECDRO CC(=O)NCCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756371783 644637181 /nfs/dbraw/zinc/63/71/81/644637181.db2.gz MHDORTMMNUIRTA-CABZTGNLSA-N 1 0 280.343 2.195 20 10 CECDRO COCCOCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756462680 644651671 /nfs/dbraw/zinc/65/16/71/644651671.db2.gz YPCKEVUJOZSPIO-JQWIXIFHSA-N 1 0 283.343 2.332 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cn2cncn2)c(O)c1 ZINC000756489033 644654370 /nfs/dbraw/zinc/65/43/70/644654370.db2.gz OJJUOUMMLJBICW-NEPJUHHUSA-N 1 0 260.341 2.031 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCOC[C@H]2C)c(O)c1 ZINC000756533051 644659478 /nfs/dbraw/zinc/65/94/78/644659478.db2.gz HOOHVXKISUMQMM-ZIAGYGMSSA-N 1 0 278.396 2.072 20 10 CECDRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(F)ccc1O ZINC000756565202 644668913 /nfs/dbraw/zinc/66/89/13/644668913.db2.gz WUVQCBNLKACSKZ-NWDGAFQWSA-N 1 0 283.343 2.235 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756577225 644670568 /nfs/dbraw/zinc/67/05/68/644670568.db2.gz QWVCETGBTNQRQR-CCUNJIBTSA-N 1 0 283.343 2.067 20 10 CECDRO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(F)ccc1O ZINC000756582981 644671493 /nfs/dbraw/zinc/67/14/93/644671493.db2.gz MMTCXSJRCZIZRC-AAEUAGOBSA-N 1 0 283.343 2.378 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC2CCCC2)c1 ZINC000756703958 644684237 /nfs/dbraw/zinc/68/42/37/644684237.db2.gz CXPFPMWPLYHTKI-GFCCVEGCSA-N 1 0 276.380 2.410 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cccnc2)c1 ZINC000756756732 644689365 /nfs/dbraw/zinc/68/93/65/644689365.db2.gz AGIVCFWHHMOCIX-ZBEGNZNMSA-N 1 0 288.347 2.180 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2cccnc2)c1 ZINC000756756726 644689462 /nfs/dbraw/zinc/68/94/62/644689462.db2.gz AGIVCFWHHMOCIX-BDJLRTHQSA-N 1 0 288.347 2.180 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CO)CC2CC2)c1 ZINC000756768670 644690662 /nfs/dbraw/zinc/69/06/62/644690662.db2.gz FXXLYPGOPZJIIW-PWSUYJOCSA-N 1 0 265.353 2.212 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CCCn2cncn2)c2c1c(F)ccc2O ZINC000756830451 644696136 /nfs/dbraw/zinc/69/61/36/644696136.db2.gz QIGFVYMNBYJWOM-CMPLNLGQSA-N 1 0 290.342 2.351 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H](CO)CC(F)(F)F)cc1F ZINC000756996499 644716798 /nfs/dbraw/zinc/71/67/98/644716798.db2.gz QNNJOCGODZVVSS-JTQLQIEISA-N 1 0 294.292 2.295 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c1O ZINC000856792236 644727371 /nfs/dbraw/zinc/72/73/71/644727371.db2.gz LOTUOEOQUJTUAY-GWCFXTLKSA-N 1 0 295.354 2.184 20 10 CECDRO CCCNC(=O)CCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000839539100 644741563 /nfs/dbraw/zinc/74/15/63/644741563.db2.gz JEKNAWVHOVHMIT-GFCCVEGCSA-N 1 0 294.395 2.358 20 10 CECDRO C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000757659325 644833064 /nfs/dbraw/zinc/83/30/64/644833064.db2.gz YGBHBSZZFXGGMU-PROPWMHFSA-N 1 0 285.384 2.436 20 10 CECDRO COc1cc(Cl)cc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226737 644859677 /nfs/dbraw/zinc/85/96/77/644859677.db2.gz YGXJSOSILQBGOV-NHYWBVRUSA-N 1 0 296.798 2.367 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000758503277 644935317 /nfs/dbraw/zinc/93/53/17/644935317.db2.gz FFHHJUJTNHRTOU-JTQLQIEISA-N 1 0 277.755 2.416 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOC[C@@H]2OCC)c1 ZINC000759173900 644992570 /nfs/dbraw/zinc/99/25/70/644992570.db2.gz QOOBGJYEYIMGNQ-ZBFHGGJFSA-N 1 0 295.379 2.075 20 10 CECDRO CCOc1cccc(C[NH2+]CCN(C)CC(F)F)c1O ZINC000858336657 645124198 /nfs/dbraw/zinc/12/41/98/645124198.db2.gz OZXCREXNYHHJKJ-UHFFFAOYSA-N 1 0 288.338 2.077 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](CO)c2ccnn2C)c(O)c1 ZINC000858435367 645158441 /nfs/dbraw/zinc/15/84/41/645158441.db2.gz GRIYFCXEQNROFE-QWHCGFSZSA-N 1 0 289.379 2.127 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](CO)c2ccnn2C)c(O)c1 ZINC000858435365 645158891 /nfs/dbraw/zinc/15/88/91/645158891.db2.gz GRIYFCXEQNROFE-CHWSQXEVSA-N 1 0 289.379 2.127 20 10 CECDRO C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(Cl)cc1O ZINC000858435820 645158936 /nfs/dbraw/zinc/15/89/36/645158936.db2.gz UMFDFNHPJRQPII-SKDRFNHKSA-N 1 0 295.770 2.163 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000858470513 645171787 /nfs/dbraw/zinc/17/17/87/645171787.db2.gz IBRPVLGQRWAFIL-PWSUYJOCSA-N 1 0 291.347 2.313 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc2ccccc2c1O ZINC000858494563 645180823 /nfs/dbraw/zinc/18/08/23/645180823.db2.gz KVKKEINFQAJLKI-DRZSPHRISA-N 1 0 284.359 2.460 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000760890382 645207056 /nfs/dbraw/zinc/20/70/56/645207056.db2.gz XDDAFZINNRVPCD-HZUKXOBISA-N 1 0 295.379 2.245 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(F)ccc1O ZINC000858602648 645218384 /nfs/dbraw/zinc/21/83/84/645218384.db2.gz FSCBPVWCGMJUID-IINYFYTJSA-N 1 0 292.354 2.335 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000763617967 645560529 /nfs/dbraw/zinc/56/05/29/645560529.db2.gz YGXSCDJBBBUDAB-CYBMUJFWSA-N 1 0 278.396 2.317 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000763784432 645577655 /nfs/dbraw/zinc/57/76/55/645577655.db2.gz ZQPHTIJJBIJLJL-SWLSCSKDSA-N 1 0 288.391 2.499 20 10 CECDRO Cc1cc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)ccc1N(C)C ZINC000859969662 645667162 /nfs/dbraw/zinc/66/71/62/645667162.db2.gz BELXWKDCSWEMFB-GASCZTMLSA-N 1 0 262.397 2.264 20 10 CECDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000765607945 645791800 /nfs/dbraw/zinc/79/18/00/645791800.db2.gz FVVNTXYXUXSSJX-CYBMUJFWSA-N 1 0 290.407 2.358 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)cc1 ZINC000766437534 645886151 /nfs/dbraw/zinc/88/61/51/645886151.db2.gz PAZXPFKBNLCGHK-CZUORRHYSA-N 1 0 289.423 2.414 20 10 CECDRO COc1cccc(O)c1C[NH+]1CCC(OC)CC1 ZINC000768215456 646098277 /nfs/dbraw/zinc/09/82/77/646098277.db2.gz GZBSUYUSDOXHBK-UHFFFAOYSA-N 1 0 251.326 2.012 20 10 CECDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000768404065 646120727 /nfs/dbraw/zinc/12/07/27/646120727.db2.gz UQEMQDZRUFLRAG-GFCCVEGCSA-N 1 0 290.386 2.346 20 10 CECDRO CCC[NH+](CCC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441410 646122438 /nfs/dbraw/zinc/12/24/38/646122438.db2.gz LGAJKYKJBNCQIQ-CQSZACIVSA-N 1 0 265.353 2.440 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCS1 ZINC000768465619 646127546 /nfs/dbraw/zinc/12/75/46/646127546.db2.gz JCRAVYHGFYBPGT-RISCZKNCSA-N 1 0 295.404 2.145 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@@H](N3CC=CC3)C2)c(O)cc1C ZINC000768465790 646127930 /nfs/dbraw/zinc/12/79/30/646127930.db2.gz LHVJNGUBGBMEJG-OAHLLOKOSA-N 1 0 288.391 2.155 20 10 CECDRO CC[N@@H+]1C[C@H](C)N(Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000769467826 646272485 /nfs/dbraw/zinc/27/24/85/646272485.db2.gz ZRGINNBMGHMFGP-NEPJUHHUSA-N 1 0 292.379 2.035 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC)c(O)c1 ZINC000769483440 646275785 /nfs/dbraw/zinc/27/57/85/646275785.db2.gz NFVJDWWEMYHYDL-CYBMUJFWSA-N 1 0 293.363 2.318 20 10 CECDRO CN(C)c1cc(F)c(C[N@H+](C)C[C@H]2CCOC2)cc1F ZINC000862250687 646380607 /nfs/dbraw/zinc/38/06/07/646380607.db2.gz OIDUAFSZCPDUSX-LLVKDONJSA-N 1 0 284.350 2.499 20 10 CECDRO C[C@@H](CCO)[N@H+](C)Cc1c(O)cccc1Br ZINC000862402516 646441785 /nfs/dbraw/zinc/44/17/85/646441785.db2.gz OOPURCZRBXVFNR-VIFPVBQESA-N 1 0 288.185 2.357 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)cc1Cl ZINC000862428426 646455786 /nfs/dbraw/zinc/45/57/86/646455786.db2.gz QBVDVKXPMSSFAO-LBPRGKRZSA-N 1 0 296.798 2.407 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000862465739 646470047 /nfs/dbraw/zinc/47/00/47/646470047.db2.gz KWAJEJBYFRFFPQ-CYBMUJFWSA-N 1 0 261.321 2.052 20 10 CECDRO OC[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC000862529062 646485001 /nfs/dbraw/zinc/48/50/01/646485001.db2.gz OTNKFMYXBZGZPG-SWLSCSKDSA-N 1 0 265.328 2.126 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)cc1 ZINC000773834900 646778684 /nfs/dbraw/zinc/77/86/84/646778684.db2.gz VJPHDZQXKIQPIY-UKRRQHHQSA-N 1 0 262.397 2.345 20 10 CECDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000119619617 646805800 /nfs/dbraw/zinc/80/58/00/646805800.db2.gz KJILQGJASKYBCH-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1 ZINC000775370593 646946529 /nfs/dbraw/zinc/94/65/29/646946529.db2.gz XAHZYVGHEBKTBZ-OLZOCXBDSA-N 1 0 278.396 2.393 20 10 CECDRO COC(=O)/C(C)=C\C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775372006 646946555 /nfs/dbraw/zinc/94/65/55/646946555.db2.gz XMJYWHWPYPVDAF-ZJRUKIMVSA-N 1 0 279.336 2.171 20 10 CECDRO CC[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[NH+](C)C ZINC000775409313 646951705 /nfs/dbraw/zinc/95/17/05/646951705.db2.gz DTXJWVIOCZPCNS-SWLSCSKDSA-N 1 0 277.412 2.270 20 10 CECDRO CC[C@@H]([NH2+]CC1(CO)COC1)c1cc(Cl)ccc1O ZINC000775522528 646962752 /nfs/dbraw/zinc/96/27/52/646962752.db2.gz SLYXKEHSNGCBRL-GFCCVEGCSA-N 1 0 285.771 2.095 20 10 CECDRO COc1cc(O)c(C[N@H+](C)C2CCOCC2)cc1OC ZINC000775658875 646976842 /nfs/dbraw/zinc/97/68/42/646976842.db2.gz RAEWJLMWFAFNEB-UHFFFAOYSA-N 1 0 281.352 2.020 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000775735673 646986139 /nfs/dbraw/zinc/98/61/39/646986139.db2.gz BFMHNYDZRGIPGF-IUODEOHRSA-N 1 0 277.364 2.402 20 10 CECDRO CC[C@@H]1CCN(C(=[NH2+])NCc2cc(OC)ccc2O)C1 ZINC000864460874 647015314 /nfs/dbraw/zinc/01/53/14/647015314.db2.gz KQXQNDQMOSBZLT-LLVKDONJSA-N 1 0 277.368 2.157 20 10 CECDRO Cc1cccc(C[NH2+]C(C)(C)c2cnn(C)c2)c1O ZINC000776177669 647032405 /nfs/dbraw/zinc/03/24/05/647032405.db2.gz SIKRFZMRFCQMJQ-UHFFFAOYSA-N 1 0 259.353 2.459 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@]2(C)CCCOC2)cc1OC ZINC000777508019 647142866 /nfs/dbraw/zinc/14/28/66/647142866.db2.gz WJJUJKQKZQYHPL-HNNXBMFYSA-N 1 0 281.352 2.068 20 10 CECDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1cc(F)ccc1O ZINC000779059401 647283624 /nfs/dbraw/zinc/28/36/24/647283624.db2.gz FIBAABUUQZFHSA-JTQLQIEISA-N 1 0 261.300 2.042 20 10 CECDRO CNC(=O)C1([NH2+]Cc2ccc(N(C)C)c(F)c2)CCCC1 ZINC000779176072 647294752 /nfs/dbraw/zinc/29/47/52/647294752.db2.gz JEQMOISIYDGWHG-UHFFFAOYSA-N 1 0 293.386 2.040 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1 ZINC000865712130 647435019 /nfs/dbraw/zinc/43/50/19/647435019.db2.gz XEBUDRZUSRFIDP-PRHODGIISA-N 1 0 293.285 2.192 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H](C)C[C@@H](C)O)CC2)cc1 ZINC000783535287 647726237 /nfs/dbraw/zinc/72/62/37/647726237.db2.gz LKXNXNMRCKKNME-UONOGXRCSA-N 1 0 292.423 2.413 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1O ZINC000866639196 647851664 /nfs/dbraw/zinc/85/16/64/647851664.db2.gz PGZMMEUHSNGPTL-RTXFEEFZSA-N 1 0 265.353 2.355 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H]([NH3+])C[C@@H]2C)c1O ZINC000866684008 647867439 /nfs/dbraw/zinc/86/74/39/647867439.db2.gz UIXCNYRFRFXZPS-UFBFGSQYSA-N 1 0 282.771 2.170 20 10 CECDRO CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868013459 648021319 /nfs/dbraw/zinc/02/13/19/648021319.db2.gz HMCNXQDQEZZNQF-STQMWFEESA-N 1 0 291.395 2.237 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)[C@@H]1C ZINC000787247292 648090418 /nfs/dbraw/zinc/09/04/18/648090418.db2.gz SOBTUBHZQVQKGT-TZMCWYRMSA-N 1 0 277.364 2.392 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000787421824 648107681 /nfs/dbraw/zinc/10/76/81/648107681.db2.gz XFPYCGRKSXQSCV-DGCLKSJQSA-N 1 0 294.370 2.275 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)c1O ZINC000787420298 648107997 /nfs/dbraw/zinc/10/79/97/648107997.db2.gz GFAYYFAZOWNGHQ-WCQYABFASA-N 1 0 293.363 2.174 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cc1 ZINC000788270932 648168291 /nfs/dbraw/zinc/16/82/91/648168291.db2.gz XHBFETXFRURZQS-BBRMVZONSA-N 1 0 262.397 2.488 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CCOC(C)C)c1 ZINC000788276742 648169104 /nfs/dbraw/zinc/16/91/04/648169104.db2.gz UYANTEQZFMHQDV-OLZOCXBDSA-N 1 0 297.395 2.227 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000792202533 648625557 /nfs/dbraw/zinc/62/55/57/648625557.db2.gz PDKAACPCZFSMGZ-CHWSQXEVSA-N 1 0 294.370 2.323 20 10 CECDRO Cc1ccc(C[N@H+](CCO)Cc2cc(F)ccc2O)o1 ZINC000793364300 648746650 /nfs/dbraw/zinc/74/66/50/648746650.db2.gz DKKDFCCPXFIESZ-UHFFFAOYSA-N 1 0 279.311 2.427 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000793619143 648782704 /nfs/dbraw/zinc/78/27/04/648782704.db2.gz FVFZYCZWMOKDMH-INIZCTEOSA-N 1 0 277.364 2.403 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC000794657572 648899582 /nfs/dbraw/zinc/89/95/82/648899582.db2.gz BGXPSEDQKSTCAO-YOEHRIQHSA-N 1 0 291.391 2.389 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000870881691 648942559 /nfs/dbraw/zinc/94/25/59/648942559.db2.gz GVGYFTAFSWVTDW-SRVKXCTJSA-N 1 0 292.379 2.096 20 10 CECDRO C[C@H](NC(=O)C1(C[NH3+])CCCC1)c1ccccc1O ZINC000870987718 648971315 /nfs/dbraw/zinc/97/13/15/648971315.db2.gz BENSKHHPQRKLNC-NSHDSACASA-N 1 0 262.353 2.089 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)CC(C)(C)O)cc1 ZINC000872200934 649312945 /nfs/dbraw/zinc/31/29/45/649312945.db2.gz NDIIXENWBOUXOU-MRXNPFEDSA-N 1 0 294.439 2.144 20 10 CECDRO CN1CC[N@H+](Cc2cc(F)ccc2O)Cc2cccnc21 ZINC000872267147 649334531 /nfs/dbraw/zinc/33/45/31/649334531.db2.gz KYGRSSGUYNIGEN-UHFFFAOYSA-N 1 0 287.338 2.378 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCC[C@@H]2CCOC2=O)c1 ZINC000873161233 649575698 /nfs/dbraw/zinc/57/56/98/649575698.db2.gz MFTJHKQWIXXULN-GFCCVEGCSA-N 1 0 263.337 2.134 20 10 CECDRO CN(C)c1ccc(/C=C/CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000873229408 649600581 /nfs/dbraw/zinc/60/05/81/649600581.db2.gz XILMARRPSWDJRM-HRMTXBTBSA-N 1 0 285.435 2.307 20 10 CECDRO CCOc1ccc(O)c(CN[C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873229913 649601419 /nfs/dbraw/zinc/60/14/19/649601419.db2.gz IVGLSJRFOSLHPC-HOTGVXAUSA-N 1 0 276.380 2.165 20 10 CECDRO CCOc1ccc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)c(O)c1 ZINC000873229749 649601634 /nfs/dbraw/zinc/60/16/34/649601634.db2.gz FMCFARBONPJKCR-JKSUJKDBSA-N 1 0 276.380 2.165 20 10 CECDRO COc1ccc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)cc1C ZINC000873230231 649602070 /nfs/dbraw/zinc/60/20/70/649602070.db2.gz NSKWETAAYFZRQB-JKSUJKDBSA-N 1 0 260.381 2.378 20 10 CECDRO Oc1ccc(Cl)cc1CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230791 649602580 /nfs/dbraw/zinc/60/25/80/649602580.db2.gz YDPRVNWGZIYVND-KBPBESRZSA-N 1 0 266.772 2.420 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1[O-] ZINC000873258784 649613615 /nfs/dbraw/zinc/61/36/15/649613615.db2.gz VZNGENRJGZZHRU-IRUJWGPZSA-N 1 0 252.333 2.309 20 10 CECDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000127213591 651135880 /nfs/dbraw/zinc/13/58/80/651135880.db2.gz JZPYTDKGJSYDGW-OLZOCXBDSA-N 1 0 298.452 2.226 20 10 CECDRO C[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)c1ccccc1O ZINC000879649088 651335180 /nfs/dbraw/zinc/33/51/80/651335180.db2.gz IBRNCGLWLUCDGJ-SECBINFHSA-N 1 0 290.285 2.111 20 10 CECDRO C[NH2+]C[C@@H]1CCCN1Cc1cc(Cl)ccc1O ZINC000133023888 652586397 /nfs/dbraw/zinc/58/63/97/652586397.db2.gz MPGDRGUTAABVCN-LBPRGKRZSA-N 1 0 254.761 2.229 20 10 CECDRO CC[C@@]1(C(=O)NCc2ccc(N(C)C)cc2C)CCC[NH2+]1 ZINC000134607382 652861536 /nfs/dbraw/zinc/86/15/36/652861536.db2.gz YXSHIWGMDHSJOQ-KRWDZBQOSA-N 1 0 289.423 2.209 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]([C@@H]3CCCO3)C1)OCO2 ZINC000884483151 652879047 /nfs/dbraw/zinc/87/90/47/652879047.db2.gz ORNFAHDOVGLATM-RISCZKNCSA-N 1 0 291.347 2.122 20 10 CECDRO CC1(C)C=Cc2c(O)c(CN3CCC[NH2+]CC3)ccc2O1 ZINC001204691706 806207600 /nfs/dbraw/zinc/20/76/00/806207600.db2.gz KNVMZWFZKMSGPB-UHFFFAOYSA-N 1 0 288.391 2.372 20 10 CECDRO CC[N@@H+]1CCN(Cc2cc(F)c(F)cc2O)[C@H](C)C1 ZINC001142534624 806623446 /nfs/dbraw/zinc/62/34/46/806623446.db2.gz QDLNIBISALLLQS-SNVBAGLBSA-N 1 0 270.323 2.196 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](CO)C2)c1 ZINC000382327915 802632881 /nfs/dbraw/zinc/63/28/81/802632881.db2.gz WRQZPMPVKCYILS-YPMHNXCESA-N 1 0 265.353 2.042 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c1 ZINC000382327913 802632961 /nfs/dbraw/zinc/63/29/61/802632961.db2.gz WRQZPMPVKCYILS-DGCLKSJQSA-N 1 0 265.353 2.042 20 10 CECDRO CC1(O)CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461032 802934723 /nfs/dbraw/zinc/93/47/23/802934723.db2.gz BVCAOSSEDRXLSD-UHFFFAOYSA-N 1 0 255.745 2.392 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1O ZINC000724814558 803302169 /nfs/dbraw/zinc/30/21/69/803302169.db2.gz QYPKVPVOFYLABX-YPMHNXCESA-N 1 0 263.337 2.012 20 10 CECDRO COC(OC)[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000127331264 803302662 /nfs/dbraw/zinc/30/26/62/803302662.db2.gz JVDIECHVBDITEE-QMMMGPOBSA-N 1 0 259.733 2.143 20 10 CECDRO Cc1c(O)ccc(C[N@@H+](C)C2CCOCC2)c1O ZINC001140742795 803512829 /nfs/dbraw/zinc/51/28/29/803512829.db2.gz ZLDMBEWLBIQPMU-UHFFFAOYSA-N 1 0 251.326 2.017 20 10 CECDRO COC[C@@H](CC[NH2+][C@H](C)c1cc(OC)ccc1O)OC ZINC000694363093 803540339 /nfs/dbraw/zinc/54/03/39/803540339.db2.gz XYAIOXXBKBVNIO-DGCLKSJQSA-N 1 0 283.368 2.103 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@]2(C)OC)c1O ZINC000694428285 803552599 /nfs/dbraw/zinc/55/25/99/803552599.db2.gz UZLWFPOBSOYUKB-OCCSQVGLSA-N 1 0 251.326 2.058 20 10 CECDRO CCN(CC)c1ccc(C[N@H+]2C[C@@H](OC)[C@@H](F)C2)c(O)c1 ZINC001140850748 803583580 /nfs/dbraw/zinc/58/35/80/803583580.db2.gz SHSJJIGCLPULGG-GOEBONIOSA-N 1 0 296.386 2.407 20 10 CECDRO Oc1ccc(O)c(C[NH+]2CCC3(CCCO3)CC2)c1 ZINC001141159491 803759900 /nfs/dbraw/zinc/75/99/00/803759900.db2.gz HUTHONXDGKDRBN-UHFFFAOYSA-N 1 0 263.337 2.243 20 10 CECDRO Oc1ccc(O)c(C[NH+]2CC3(C2)C[C@@H](F)CS3)c1 ZINC001141160961 803760837 /nfs/dbraw/zinc/76/08/37/803760837.db2.gz KYMDZAUFICHGNA-SNVBAGLBSA-N 1 0 269.341 2.127 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CO[C@H](C)C2)c1O ZINC000402008573 804641900 /nfs/dbraw/zinc/64/19/00/804641900.db2.gz RIYOXBRVZOEFBJ-KCJUWKMLSA-N 1 0 271.744 2.321 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)n[nH]2)c1 ZINC000716493208 815132834 /nfs/dbraw/zinc/13/28/34/815132834.db2.gz KHPLCCNYFNQGHC-SNVBAGLBSA-N 1 0 261.325 2.283 20 10 CECDRO Cc1cc(O)c(CN2C[C@H]3CC[C@@]3([NH3+])C2)cc1Cl ZINC001235986709 807907319 /nfs/dbraw/zinc/90/73/19/807907319.db2.gz CXTXWMIRRGIPQA-BXUZGUMPSA-N 1 0 266.772 2.277 20 10 CECDRO CCN(CC)c1ccc(CN2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001236026677 807937707 /nfs/dbraw/zinc/93/77/07/807937707.db2.gz YQLMUPMYSALMHZ-HOCLYGCPSA-N 1 0 259.397 2.066 20 10 CECDRO CC[C@H]1COCC[N@@H+]1Cc1c(C)cc(OC)cc1O ZINC001236811627 808168874 /nfs/dbraw/zinc/16/88/74/808168874.db2.gz UECJXQDHVCWOMT-LBPRGKRZSA-N 1 0 265.353 2.320 20 10 CECDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(OC)cc(OC)c1O ZINC001237675634 808238772 /nfs/dbraw/zinc/23/87/72/808238772.db2.gz ZQPORCDZUNUODR-LBPRGKRZSA-N 1 0 281.352 2.020 20 10 CECDRO CCCN(CC)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001120030595 815189836 /nfs/dbraw/zinc/18/98/36/815189836.db2.gz DMKXRFJEOXXZAM-UHFFFAOYSA-N 1 0 296.411 2.231 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)C2CC=CC2)cc1C ZINC001125153191 808337691 /nfs/dbraw/zinc/33/76/91/808337691.db2.gz XMAIFMSAXIDYKL-UHFFFAOYSA-N 1 0 288.391 2.176 20 10 CECDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001272764561 808628803 /nfs/dbraw/zinc/62/88/03/808628803.db2.gz AZKPNGVTASOJFJ-CQSZACIVSA-N 1 0 288.391 2.049 20 10 CECDRO Cc1cc(C)c(C[NH2+][C@H]2CCN(C3CC3)C(=O)C2)c(O)c1 ZINC001172013018 815264459 /nfs/dbraw/zinc/26/44/59/815264459.db2.gz ODXJSVXVPDOHPN-ZDUSSCGKSA-N 1 0 288.391 2.252 20 10 CECDRO C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CC[NH+](C)C1 ZINC000703499994 809653095 /nfs/dbraw/zinc/65/30/95/809653095.db2.gz BCPRRKWTBKFCCV-JTQLQIEISA-N 1 0 270.323 2.054 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000704370982 809731260 /nfs/dbraw/zinc/73/12/60/809731260.db2.gz JFLJFPXRXNYNAY-IUODEOHRSA-N 1 0 275.396 2.024 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707129482 809880637 /nfs/dbraw/zinc/88/06/37/809880637.db2.gz AFORGOOKHAQVNE-SECBINFHSA-N 1 0 286.169 2.375 20 10 CECDRO C[NH+](C)[C@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC000707154738 809881191 /nfs/dbraw/zinc/88/11/91/809881191.db2.gz LXUIQKSJQPCCGG-JTQLQIEISA-N 1 0 299.212 2.291 20 10 CECDRO OC[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000707546827 809911764 /nfs/dbraw/zinc/91/17/64/809911764.db2.gz QNNULMWMTINRCW-DKTWLAJQSA-N 1 0 286.169 2.015 20 10 CECDRO C[C@@H](O)CC[NH2+]Cc1cc(Br)ccc1O ZINC000114770871 810479674 /nfs/dbraw/zinc/47/96/74/810479674.db2.gz YAJDXWGFRQPKTK-MRVPVSSYSA-N 1 0 274.158 2.015 20 10 CECDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001120262828 810614973 /nfs/dbraw/zinc/61/49/73/810614973.db2.gz FEIVSFVYAFOGGO-OAHLLOKOSA-N 1 0 289.423 2.397 20 10 CECDRO CCC[C@@H](C[NH2+]Cc1ccc(OC)cc1O)OC ZINC000378710659 810668359 /nfs/dbraw/zinc/66/83/59/810668359.db2.gz SUQLJLYMEWVYRW-ZDUSSCGKSA-N 1 0 253.342 2.306 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2cccc(C)n2)c1 ZINC000280555491 810731331 /nfs/dbraw/zinc/73/13/31/810731331.db2.gz KLCGMDUPTFUOFN-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO C[C@H]1[NH2+]CCN(Cc2cc(Cl)ccc2O)[C@@H]1C ZINC000379501893 811050552 /nfs/dbraw/zinc/05/05/52/811050552.db2.gz WWQPNGIJJIBBJI-NXEZZACHSA-N 1 0 254.761 2.228 20 10 CECDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001172592634 815467220 /nfs/dbraw/zinc/46/72/20/815467220.db2.gz ISXKESIMGILRIC-CABCVRRESA-N 1 0 289.375 2.443 20 10 CECDRO C[C@H](CCCO)[NH2+]Cc1ccc(Br)cc1O ZINC000691453595 811858091 /nfs/dbraw/zinc/85/80/91/811858091.db2.gz IUGMLSWREJQOEJ-SECBINFHSA-N 1 0 288.185 2.405 20 10 CECDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172745584 815501130 /nfs/dbraw/zinc/50/11/30/815501130.db2.gz GCFUJYBIXALYQC-GFCCVEGCSA-N 1 0 295.379 2.350 20 10 CECDRO CN(c1ccc2c(c1)OCCCO2)C(C)(C)C[NH3+] ZINC000258712062 815522470 /nfs/dbraw/zinc/52/24/70/815522470.db2.gz CVEMNGTZVZSANX-UHFFFAOYSA-N 1 0 250.342 2.021 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2C[C@H]2C)cc1C ZINC001133357360 813036124 /nfs/dbraw/zinc/03/61/24/813036124.db2.gz XEJDDESSABZSTA-IUODEOHRSA-N 1 0 290.407 2.256 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1O ZINC000384978272 813127451 /nfs/dbraw/zinc/12/74/51/813127451.db2.gz UHNODNVPYPEYIF-NQBHXWOUSA-N 1 0 265.353 2.446 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCc1cnccn1 ZINC000389985442 813258155 /nfs/dbraw/zinc/25/81/55/813258155.db2.gz CYRDGZQXYIGLDS-UHFFFAOYSA-N 1 0 263.728 2.168 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)C(C)(C)O)c1O ZINC000393969933 813333843 /nfs/dbraw/zinc/33/38/43/813333843.db2.gz ZEGWRURXJPBEPF-JTQLQIEISA-N 1 0 253.342 2.040 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CS1 ZINC000397819816 813640188 /nfs/dbraw/zinc/64/01/88/813640188.db2.gz DLXAKJUHAPULHC-PSASIEDQSA-N 1 0 267.350 2.105 20 10 CECDRO c1cc(N2CCCC2)ccc1CN[C@H]1CCC[NH2+]C1 ZINC001246173433 813718790 /nfs/dbraw/zinc/71/87/90/813718790.db2.gz HBLPUJGYGHIDPX-HNNXBMFYSA-N 1 0 259.397 2.128 20 10 CECDRO C[N@H+](Cc1ccc(Cl)nc1)Cc1c(O)cc(O)cc1O ZINC001144514743 814098237 /nfs/dbraw/zinc/09/82/37/814098237.db2.gz QLVNKVLQLHTLRR-UHFFFAOYSA-N 1 0 294.738 2.484 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOC2CC2)c1 ZINC000714982091 814920216 /nfs/dbraw/zinc/92/02/16/814920216.db2.gz IHJWNWWUCXZVJA-SNVBAGLBSA-N 1 0 251.326 2.230 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CC[C@@]1(C)O ZINC001138123807 815730308 /nfs/dbraw/zinc/73/03/08/815730308.db2.gz MTEUBPAKYDLYDT-QMTHXVAHSA-N 1 0 253.317 2.124 20 10 CECDRO Cc1c(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3C)c2ccccc2n1C ZINC001138253737 815754599 /nfs/dbraw/zinc/75/45/99/815754599.db2.gz FBUWLYBHTLNMHK-MSOLQXFVSA-N 1 0 299.418 2.002 20 10 CECDRO C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138494992 815816496 /nfs/dbraw/zinc/81/64/96/815816496.db2.gz AOIPPCVISLMSNA-HIFRSBDPSA-N 1 0 278.371 2.456 20 10 CECDRO COC(=O)c1ccc(O)c(Nc2cc[nH+]cc2C)c1 ZINC001174539634 816026596 /nfs/dbraw/zinc/02/65/96/816026596.db2.gz NZHJIFLMMOWHJY-UHFFFAOYSA-N 1 0 258.277 2.048 20 10 CECDRO C[N@@H+](Cc1c(F)ccc(F)c1[O-])CC1CC[NH+](C)CC1 ZINC001139685055 816081881 /nfs/dbraw/zinc/08/18/81/816081881.db2.gz URFOGAGLOJCFIL-UHFFFAOYSA-N 1 0 284.350 2.444 20 10 CECDRO CNc1nccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)n1 ZINC001140049216 816174885 /nfs/dbraw/zinc/17/48/85/816174885.db2.gz MIPYMIZVPKABOW-UHFFFAOYSA-N 1 0 285.395 2.216 20 10 CECDRO CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001140053707 816177192 /nfs/dbraw/zinc/17/71/92/816177192.db2.gz AJJSMRLVKNQRLL-MRXNPFEDSA-N 1 0 292.354 2.118 20 10 CECDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cc(F)ccc1O ZINC001140055340 816179650 /nfs/dbraw/zinc/17/96/50/816179650.db2.gz SGAUYWLPDVOBDM-FZMZJTMJSA-N 1 0 264.344 2.057 20 10 CECDRO OC[C@]1(F)CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC001140058221 816181348 /nfs/dbraw/zinc/18/13/48/816181348.db2.gz VMDQDGJNXBDECA-AWEZNQCLSA-N 1 0 271.307 2.218 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1O ZINC001140184059 816205837 /nfs/dbraw/zinc/20/58/37/816205837.db2.gz LKAKQCUHFBHYOL-CYBMUJFWSA-N 1 0 297.420 2.018 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCC3(CNC(=O)O3)CC2)c1O ZINC001140182025 816206032 /nfs/dbraw/zinc/20/60/32/816206032.db2.gz GAPLWGLGMCENRU-UHFFFAOYSA-N 1 0 290.363 2.083 20 10 CECDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@]12CCOC2 ZINC001140342287 816238249 /nfs/dbraw/zinc/23/82/49/816238249.db2.gz BOLCUCDFZZEHRA-ZDUSSCGKSA-N 1 0 253.729 2.410 20 10 CECDRO Oc1cccc(Cl)c1C[NH+]1CCC(n2cnnc2)CC1 ZINC001140341193 816238726 /nfs/dbraw/zinc/23/87/26/816238726.db2.gz BOVZZBSBYYMPRA-UHFFFAOYSA-N 1 0 292.770 2.474 20 10 CECDRO CC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464455 816259465 /nfs/dbraw/zinc/25/94/65/816259465.db2.gz QQZHGPWSDDTHHD-SNVBAGLBSA-N 1 0 253.729 2.457 20 10 CECDRO COC(C[N@H+](C)Cc1ccc(Cl)cc1O)OC ZINC001140465575 816259537 /nfs/dbraw/zinc/25/95/37/816259537.db2.gz NUYBRCMSJKKYKA-UHFFFAOYSA-N 1 0 259.733 2.096 20 10 CECDRO OCC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140462811 816261179 /nfs/dbraw/zinc/26/11/79/816261179.db2.gz LISOTYNXPQQWFS-UHFFFAOYSA-N 1 0 255.745 2.250 20 10 CECDRO CO[C@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140579938 816288894 /nfs/dbraw/zinc/28/88/94/816288894.db2.gz NCUIAKBODYFJKR-JTQLQIEISA-N 1 0 257.280 2.281 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)[C@@H]1C ZINC001140623298 816305984 /nfs/dbraw/zinc/30/59/84/816305984.db2.gz NCPVTMDVHCEDCP-TZMCWYRMSA-N 1 0 277.364 2.474 20 10 CECDRO Cc1ncc2n1CCN(Cc1cc(C)ccc1O)C2 ZINC001140619982 816306559 /nfs/dbraw/zinc/30/65/59/816306559.db2.gz XTINOAXKKIJDRB-UHFFFAOYSA-N 1 0 257.337 2.221 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)c1O ZINC001140748017 816341289 /nfs/dbraw/zinc/34/12/89/816341289.db2.gz RHKRKEJCZWKJNY-AWEZNQCLSA-N 1 0 265.353 2.263 20 10 CECDRO Cc1c(O)ccc(C[N@H+]2CC[C@H](OC(C)C)C2)c1O ZINC001140748022 816342139 /nfs/dbraw/zinc/34/21/39/816342139.db2.gz RNPHCMZPXIFWNG-ZDUSSCGKSA-N 1 0 265.353 2.406 20 10 CECDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)cc2O)C1 ZINC001140954517 816423544 /nfs/dbraw/zinc/42/35/44/816423544.db2.gz VKQKVVNGFUMNFY-HNNXBMFYSA-N 1 0 276.380 2.143 20 10 CECDRO Cc1ccc(C[NH+]2CCC3(CCC(=O)O3)CC2)c(O)c1 ZINC001140951018 816424041 /nfs/dbraw/zinc/42/40/41/816424041.db2.gz UGXFARKHDORXCR-UHFFFAOYSA-N 1 0 275.348 2.372 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(OC)c1 ZINC001141029491 816450364 /nfs/dbraw/zinc/45/03/64/816450364.db2.gz UKTDDKJWRXMIDG-ABAIWWIYSA-N 1 0 293.363 2.020 20 10 CECDRO CC(C)[NH+]1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141138947 816483348 /nfs/dbraw/zinc/48/33/48/816483348.db2.gz FNWAZMAURQFQRC-UHFFFAOYSA-N 1 0 289.423 2.041 20 10 CECDRO Oc1ccc(O)c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1 ZINC001141156213 816490589 /nfs/dbraw/zinc/49/05/89/816490589.db2.gz HFRRTUPEMCNGJQ-KOLCDFICSA-N 1 0 255.264 2.185 20 10 CECDRO Oc1ccc(O)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC001141159188 816490665 /nfs/dbraw/zinc/49/06/65/816490665.db2.gz BMTQDQRPCYRKCC-CQSZACIVSA-N 1 0 276.380 2.158 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](CCO)C(C)(C)C)c1 ZINC000231073221 344574514 /nfs/dbraw/zinc/57/45/14/344574514.db2.gz NEGOJULONZPKGB-CQSZACIVSA-N 1 0 267.369 2.288 20 10 CECDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1C ZINC000280901008 344674771 /nfs/dbraw/zinc/67/47/71/344674771.db2.gz OLBXEXJWSOVKNL-MBNYWOFBSA-N 1 0 277.364 2.460 20 10 CECDRO COC[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093337900 260275583 /nfs/dbraw/zinc/27/55/83/260275583.db2.gz DDZNIQCMJVIWRL-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000217779216 538888078 /nfs/dbraw/zinc/88/80/78/538888078.db2.gz FASLEKXTSXJBQP-WDEREUQCSA-N 1 0 251.326 2.010 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)CCC2CC2)cc1 ZINC000135303254 366424263 /nfs/dbraw/zinc/42/42/63/366424263.db2.gz AZRBZNRWFUBLCO-UHFFFAOYSA-N 1 0 289.423 2.101 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[C@H]([NH3+])c2ccccc2)cc1 ZINC000237082909 370688658 /nfs/dbraw/zinc/68/86/58/370688658.db2.gz MLVBSJCFGWPAEK-KRWDZBQOSA-N 1 0 297.402 2.459 20 10 CECDRO CN1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000089647962 363987612 /nfs/dbraw/zinc/98/76/12/363987612.db2.gz PWYAWZBYYVNFBI-UHFFFAOYSA-N 1 0 254.761 2.229 20 10 CECDRO C[N@H+](CC(=O)N1CCCCCC1)Cc1ccccc1O ZINC000111236160 364725132 /nfs/dbraw/zinc/72/51/32/364725132.db2.gz BSJJJUVNJFGNJG-UHFFFAOYSA-N 1 0 276.380 2.227 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCOC(C)(C)C2)c1O ZINC000160630888 367022263 /nfs/dbraw/zinc/02/22/63/367022263.db2.gz GUWGTDRJIICNKK-LBPRGKRZSA-N 1 0 265.353 2.448 20 10 CECDRO C[N@H+](Cc1ccccc1O)[C@@H]1Cc2ccccc2[C@H]1O ZINC000245868984 370881787 /nfs/dbraw/zinc/88/17/87/370881787.db2.gz RBSQWFADHBJVNR-NVXWUHKLSA-N 1 0 269.344 2.482 20 10 CECDRO COc1cccc(C[NH2+]CCC(=O)OC(C)(C)C)c1O ZINC000174434548 368023526 /nfs/dbraw/zinc/02/35/26/368023526.db2.gz MWBTXTNBTCUTJE-UHFFFAOYSA-N 1 0 281.352 2.222 20 10 CECDRO COc1cccc(C[N@@H+]2CCSC[C@@H]2C)c1O ZINC000179664500 368345959 /nfs/dbraw/zinc/34/59/59/368345959.db2.gz PXHNGYDIGCVDOW-JTQLQIEISA-N 1 0 253.367 2.338 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@H](C)OC)ccc1OC ZINC000191138154 369683280 /nfs/dbraw/zinc/68/32/80/369683280.db2.gz WZTKACKIPXAYFH-LBPRGKRZSA-N 1 0 267.369 2.356 20 10 CECDRO COC[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000191381076 369707982 /nfs/dbraw/zinc/70/79/82/369707982.db2.gz JOKLGXRMIVOUQD-SECBINFHSA-N 1 0 289.734 2.032 20 10 CECDRO Cn1cc([C@@H]2CSCC[N@@H+]2Cc2ccccc2O)cn1 ZINC000191735217 369737887 /nfs/dbraw/zinc/73/78/87/369737887.db2.gz UBRXFEBYCRWTOH-AWEZNQCLSA-N 1 0 289.404 2.416 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000192098365 369772653 /nfs/dbraw/zinc/77/26/53/369772653.db2.gz CURZCHLKRVDXMO-STQMWFEESA-N 1 0 277.412 2.132 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](CO)C(C)(C)C)c1O ZINC000193102473 369892831 /nfs/dbraw/zinc/89/28/31/369892831.db2.gz PUCYGXWKTMTJKJ-CYBMUJFWSA-N 1 0 283.343 2.231 20 10 CECDRO CN1CCCN(C(=O)C2=CC[C@@H]([NH3+])C2)c2ccc(F)cc21 ZINC000638120416 370316627 /nfs/dbraw/zinc/31/66/27/370316627.db2.gz DMVGDRODWGPJPO-CYBMUJFWSA-N 1 0 289.354 2.046 20 10 CECDRO COCCCCC[NH2+]Cc1cc(OC)ccc1O ZINC000224573111 370281355 /nfs/dbraw/zinc/28/13/55/370281355.db2.gz GRSBHDLXIYBIII-UHFFFAOYSA-N 1 0 253.342 2.307 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCSC1 ZINC000226375172 370338481 /nfs/dbraw/zinc/33/84/81/370338481.db2.gz NJGORIMHNVBWSC-HNNXBMFYSA-N 1 0 292.448 2.366 20 10 CECDRO Cc1cccc2c1N(C1CC1)CCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638318357 370442417 /nfs/dbraw/zinc/44/24/17/370442417.db2.gz VDIHGJBPBWRUOM-CQSZACIVSA-N 1 0 297.402 2.358 20 10 CECDRO CN(C)c1ccc(C[N@H+](CCn2cncn2)C2CC2)cc1 ZINC000263876176 371953310 /nfs/dbraw/zinc/95/33/10/371953310.db2.gz JKVPCDYHRUVPIB-UHFFFAOYSA-N 1 0 285.395 2.009 20 10 CECDRO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(N(C)C)cc1 ZINC000268919249 372287698 /nfs/dbraw/zinc/28/76/98/372287698.db2.gz OSSLQDRBZYYISC-ZDUSSCGKSA-N 1 0 289.423 2.449 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1O ZINC000269865263 372582716 /nfs/dbraw/zinc/58/27/16/372582716.db2.gz XAEDWTJQQPEQQD-QMTHXVAHSA-N 1 0 295.354 2.469 20 10 CECDRO Oc1cccc(Cl)c1CN1CCO[C@@H]2CCOC[C@H]21 ZINC000366495800 373071188 /nfs/dbraw/zinc/07/11/88/373071188.db2.gz HLQVSQIXWPTQQA-TZMCWYRMSA-N 1 0 283.755 2.035 20 10 CECDRO CCCOc1ccc(C[N@H+]2C[C@@H](CC)[C@H](O)C2)c(O)c1 ZINC000271279563 373187881 /nfs/dbraw/zinc/18/78/81/373187881.db2.gz LTBPWZQOCBBGRX-MLGOLLRUSA-N 1 0 279.380 2.384 20 10 CECDRO CC[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccccc1O ZINC000271710370 373198036 /nfs/dbraw/zinc/19/80/36/373198036.db2.gz OGRSJQWURRJHPC-LBPRGKRZSA-N 1 0 272.352 2.171 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(N(C)C)cc1 ZINC000368608681 373249393 /nfs/dbraw/zinc/24/93/93/373249393.db2.gz QWSKNXWBMNCYCG-VCOSZWKGSA-N 1 0 260.381 2.296 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1C ZINC000368963201 373301288 /nfs/dbraw/zinc/30/12/88/373301288.db2.gz IOSZHQATWLYBJD-JGGQBBKZSA-N 1 0 288.391 2.095 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](COC)OC)cc1 ZINC000272642449 373597326 /nfs/dbraw/zinc/59/73/26/373597326.db2.gz CXSHJFBFPAHGRT-BBRMVZONSA-N 1 0 280.412 2.455 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2[C@@H](C)CCC[C@H]2CO)c1O ZINC000272697732 373618677 /nfs/dbraw/zinc/61/86/77/373618677.db2.gz VPHMXEKKOIMKPZ-HZMBPMFUSA-N 1 0 295.354 2.469 20 10 CECDRO C[C@@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCO[C@@H]1C1CC1 ZINC000273133951 373745708 /nfs/dbraw/zinc/74/57/08/373745708.db2.gz NCZGNVASYIBBNV-HZPDHXFCSA-N 1 0 291.347 2.168 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1 ZINC000273450700 373757694 /nfs/dbraw/zinc/75/76/94/373757694.db2.gz FYTNCGNWXBFCRK-PELKAZGASA-N 1 0 293.285 2.365 20 10 CECDRO CNC(=O)CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273465207 373759808 /nfs/dbraw/zinc/75/98/08/373759808.db2.gz DPEZBKKJZYDLGX-LBPRGKRZSA-N 1 0 264.369 2.186 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[S@](C)=O)c(O)c1C ZINC000273470136 373759870 /nfs/dbraw/zinc/75/98/70/373759870.db2.gz RVMIBZZQFYSYDF-MYFIVHGGSA-N 1 0 269.410 2.427 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273516871 373762483 /nfs/dbraw/zinc/76/24/83/373762483.db2.gz SSHFQHLKPVQLAD-VXGBXAGGSA-N 1 0 292.379 2.061 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c1 ZINC000371412437 373872139 /nfs/dbraw/zinc/87/21/39/373872139.db2.gz GTHMWTQISWVFBJ-QEJZJMRPSA-N 1 0 288.391 2.319 20 10 CECDRO COCCOCC[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374776098 374629842 /nfs/dbraw/zinc/62/98/42/374629842.db2.gz DOCZMHPTQASYHY-UHFFFAOYSA-N 1 0 290.407 2.115 20 10 CECDRO Cc1cccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c1O ZINC000375472588 374660252 /nfs/dbraw/zinc/66/02/52/374660252.db2.gz WZIBSEGEINBOLY-CABCVRRESA-N 1 0 289.375 2.271 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1C ZINC000375555980 374662231 /nfs/dbraw/zinc/66/22/31/374662231.db2.gz DBCRLFIUHIRNNF-INIZCTEOSA-N 1 0 290.363 2.083 20 10 CECDRO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccccc1O ZINC000281402563 375376746 /nfs/dbraw/zinc/37/67/46/375376746.db2.gz XRCBALWLMNVJPF-NSHDSACASA-N 1 0 251.326 2.166 20 10 CECDRO CC[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccccc1O ZINC000282504003 375501337 /nfs/dbraw/zinc/50/13/37/375501337.db2.gz YIXAUYMSDLWTMN-KZULUSFZSA-N 1 0 267.394 2.344 20 10 CECDRO Cc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)n(C)n1 ZINC000284520727 375830020 /nfs/dbraw/zinc/83/00/20/375830020.db2.gz WQGNCOBNBNDKRZ-JTQLQIEISA-N 1 0 263.316 2.424 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1 ZINC000285435745 375839074 /nfs/dbraw/zinc/83/90/74/375839074.db2.gz HRDYYJINPZROES-UHFFFAOYSA-N 1 0 297.420 2.148 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H](c2nncn2C)C(C)C)c1 ZINC000285580076 375840168 /nfs/dbraw/zinc/84/01/68/375840168.db2.gz TXVKFWDFRXGXEE-CQSZACIVSA-N 1 0 274.368 2.316 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000287166527 376163800 /nfs/dbraw/zinc/16/38/00/376163800.db2.gz UHBWVHZTIOZGKJ-OLZOCXBDSA-N 1 0 297.420 2.176 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)OCCO)c(O)c1 ZINC000287367627 376216412 /nfs/dbraw/zinc/21/64/12/376216412.db2.gz ONBXVWKGXCJKGE-LBPRGKRZSA-N 1 0 267.369 2.139 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CO)C2CCCC2)c1O ZINC000289673329 376439678 /nfs/dbraw/zinc/43/96/78/376439678.db2.gz RPWIVTFXSYSHSP-AWEZNQCLSA-N 1 0 279.380 2.432 20 10 CECDRO C[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccc(N(C)C)cc1 ZINC000293720830 377723195 /nfs/dbraw/zinc/72/31/95/377723195.db2.gz NRKSRUQISBKJMU-CYBMUJFWSA-N 1 0 287.411 2.165 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2CF)cc1OC ZINC000293845358 377785052 /nfs/dbraw/zinc/78/50/52/377785052.db2.gz BGKJUMQRIINEKV-LLVKDONJSA-N 1 0 269.316 2.343 20 10 CECDRO Oc1cccc(Cl)c1C[NH+]1CC2(C1)CCOC2 ZINC000293997896 377863824 /nfs/dbraw/zinc/86/38/24/377863824.db2.gz MDDVFMBZPRCTQA-UHFFFAOYSA-N 1 0 253.729 2.268 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)ccc1N(C)C ZINC000294757051 378018619 /nfs/dbraw/zinc/01/86/19/378018619.db2.gz YBTGOTVDDQRGPD-WBMJQRKESA-N 1 0 262.397 2.264 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000295119838 378043750 /nfs/dbraw/zinc/04/37/50/378043750.db2.gz NAWKDJDTTPYIEM-HNNXBMFYSA-N 1 0 275.323 2.225 20 10 CECDRO COc1cccc(C[N@@H+]2CCN(C3CC3)C[C@H](C)C2)c1O ZINC000295946707 378363942 /nfs/dbraw/zinc/36/39/42/378363942.db2.gz GREMDJIAXPEVNQ-CYBMUJFWSA-N 1 0 290.407 2.317 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1O ZINC000295995772 378385615 /nfs/dbraw/zinc/38/56/15/378385615.db2.gz KNWPXLHBDMUFOW-JFGNBEQYSA-N 1 0 251.326 2.056 20 10 CECDRO O=C1CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C2(CCC2)N1 ZINC000296299603 378482723 /nfs/dbraw/zinc/48/27/23/378482723.db2.gz DOJKPZLYZKAWPW-TZMCWYRMSA-N 1 0 286.375 2.170 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[NH+](C)C ZINC000298682500 378799372 /nfs/dbraw/zinc/79/93/72/378799372.db2.gz CPRDGPDTAPCMHS-UHFFFAOYSA-N 1 0 277.412 2.051 20 10 CECDRO CC[C@H](CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000305070880 379620377 /nfs/dbraw/zinc/62/03/77/379620377.db2.gz LMBJJWHILDMXQQ-CYBMUJFWSA-N 1 0 278.396 2.025 20 10 CECDRO CC[C@@H](CO)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000305071281 379622436 /nfs/dbraw/zinc/62/24/36/379622436.db2.gz LMBJJWHILDMXQQ-ZDUSSCGKSA-N 1 0 278.396 2.025 20 10 CECDRO OC[C@]1([NH2+]Cc2ccccc2O)CCc2ccccc21 ZINC000305190203 379679197 /nfs/dbraw/zinc/67/91/97/379679197.db2.gz UYYWZCVGZZUSCW-QGZVFWFLSA-N 1 0 269.344 2.316 20 10 CECDRO CC1(N2CCOCC2)CC[NH+](Cc2ccccc2O)CC1 ZINC000529663347 380182229 /nfs/dbraw/zinc/18/22/29/380182229.db2.gz JZPFQQZPOBXSNT-UHFFFAOYSA-N 1 0 290.407 2.079 20 10 CECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000273363269 292013948 /nfs/dbraw/zinc/01/39/48/292013948.db2.gz AUFQVJNPHHBURH-NWDGAFQWSA-N 1 0 294.395 2.170 20 10 CECDRO COc1ccc(C[NH2+]C[C@](C)(O)CSC)cc1C ZINC000217862038 394456193 /nfs/dbraw/zinc/45/61/93/394456193.db2.gz WUHNSYBMVJEDRG-AWEZNQCLSA-N 1 0 269.410 2.207 20 10 CECDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000093481986 394667588 /nfs/dbraw/zinc/66/75/88/394667588.db2.gz GBKHNOHONYHFIY-CJNGLKHVSA-N 1 0 262.397 2.488 20 10 CECDRO CC(C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000111385809 394740152 /nfs/dbraw/zinc/74/01/52/394740152.db2.gz VQQLDTJGGQUSNQ-UHFFFAOYSA-N 1 0 274.158 2.015 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)C[C@H]2CCCCO2)c1 ZINC000132603019 394933829 /nfs/dbraw/zinc/93/38/29/394933829.db2.gz BYCSAXVJTOSZJV-CQSZACIVSA-N 1 0 265.353 2.402 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000373216272 395056793 /nfs/dbraw/zinc/05/67/93/395056793.db2.gz MVALKBTUZHMZEU-CQSZACIVSA-N 1 0 287.363 2.434 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCCO[C@H]3CCC[C@@H]31)OCO2 ZINC000374256687 395077625 /nfs/dbraw/zinc/07/76/25/395077625.db2.gz WYUQPFROSRWUON-JSGCOSHPSA-N 1 0 291.347 2.264 20 10 CECDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000174553278 395125045 /nfs/dbraw/zinc/12/50/45/395125045.db2.gz NGGANHQTTBEXQZ-SNVBAGLBSA-N 1 0 281.352 2.414 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2cncn2C)cc1 ZINC000175582510 395133170 /nfs/dbraw/zinc/13/31/70/395133170.db2.gz JRXIWDSDNYDBAE-UHFFFAOYSA-N 1 0 258.369 2.118 20 10 CECDRO Cc1cc(O)c(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1C ZINC000174640128 395126538 /nfs/dbraw/zinc/12/65/38/395126538.db2.gz KFRGHIYFWAFLLY-UHFFFAOYSA-N 1 0 299.436 2.312 20 10 CECDRO COCCOC[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000173398821 395112893 /nfs/dbraw/zinc/11/28/93/395112893.db2.gz PKDXOELKEWHBKD-HNNXBMFYSA-N 1 0 293.407 2.494 20 10 CECDRO CC[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(N(C)C)cc1 ZINC000178213092 395163158 /nfs/dbraw/zinc/16/31/58/395163158.db2.gz YNSDVWKGHSVVIJ-MRXNPFEDSA-N 1 0 289.423 2.320 20 10 CECDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293490050 395235516 /nfs/dbraw/zinc/23/55/16/395235516.db2.gz ANGJQGKKWDAVBM-DTWKUNHWSA-N 1 0 273.735 2.387 20 10 CECDRO CCOC(=O)C[N@@H+](Cc1ccccc1O)CC(C)C ZINC000179559663 395194911 /nfs/dbraw/zinc/19/49/11/395194911.db2.gz FZDPAILVPPZCBP-UHFFFAOYSA-N 1 0 265.353 2.413 20 10 CECDRO Oc1ccccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000179564881 395195390 /nfs/dbraw/zinc/19/53/90/395195390.db2.gz IVTICMGUHAKXJI-UHFFFAOYSA-N 1 0 257.337 2.426 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000179556652 395195462 /nfs/dbraw/zinc/19/54/62/395195462.db2.gz FUZGAKUYKLEFFZ-UHFFFAOYSA-N 1 0 288.313 2.462 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2(SC)CC2)c1 ZINC000193365316 395406516 /nfs/dbraw/zinc/40/65/16/395406516.db2.gz GDHVRUCLGVKBPJ-UHFFFAOYSA-N 1 0 253.367 2.386 20 10 CECDRO CSC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000193662716 395412846 /nfs/dbraw/zinc/41/28/46/395412846.db2.gz NJVXZFWHZOCHIS-UHFFFAOYSA-N 1 0 267.350 2.106 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CCCC2)c1 ZINC000020126894 171012477 /nfs/dbraw/zinc/01/24/77/171012477.db2.gz GZGYILQXFZUZAC-LBPRGKRZSA-N 1 0 264.369 2.147 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000035134264 172000772 /nfs/dbraw/zinc/00/07/72/172000772.db2.gz ZMBBXKXCEPERIW-ZDUSSCGKSA-N 1 0 277.412 2.147 20 10 CECDRO COc1ncccc1C[NH2+]Cc1cc(C)ccc1O ZINC000071407996 176156934 /nfs/dbraw/zinc/15/69/34/176156934.db2.gz XIMFDBCCZTVXGK-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2cnn(C)c2C)c1 ZINC000037167364 260072316 /nfs/dbraw/zinc/07/23/16/260072316.db2.gz JJVSCNYOURTIAN-JTQLQIEISA-N 1 0 275.352 2.294 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)c2cnn(C)c2C)c1 ZINC000037167363 260072340 /nfs/dbraw/zinc/07/23/40/260072340.db2.gz JJVSCNYOURTIAN-SNVBAGLBSA-N 1 0 275.352 2.294 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccccc1O ZINC000156563093 261126356 /nfs/dbraw/zinc/12/63/56/261126356.db2.gz WKDVJAZHISCEDK-WCQYABFASA-N 1 0 285.409 2.256 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOC(C)C)c1 ZINC000163985374 261336473 /nfs/dbraw/zinc/33/64/73/261336473.db2.gz CIJMHMZXYPJSOS-LLVKDONJSA-N 1 0 253.342 2.476 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCOC(C)C)c1 ZINC000163985309 261336610 /nfs/dbraw/zinc/33/66/10/261336610.db2.gz CIJMHMZXYPJSOS-NSHDSACASA-N 1 0 253.342 2.476 20 10 CECDRO CCOC(=O)N1CCC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC000179748924 261813006 /nfs/dbraw/zinc/81/30/06/261813006.db2.gz HLOHGQNQJJSJGN-UHFFFAOYSA-N 1 0 292.379 2.365 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)CC[C@H](C)O)c1O ZINC000184695373 262025982 /nfs/dbraw/zinc/02/59/82/262025982.db2.gz YMBGXPPMFAXEGL-VIFPVBQESA-N 1 0 273.760 2.257 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c1 ZINC000185333666 262050912 /nfs/dbraw/zinc/05/09/12/262050912.db2.gz OGMVDMJFXCOGNG-CQSZACIVSA-N 1 0 292.423 2.462 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1 ZINC000185449709 262055069 /nfs/dbraw/zinc/05/50/69/262055069.db2.gz XNMHQZBCHUITAM-CQSZACIVSA-N 1 0 292.423 2.462 20 10 CECDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)CN1CCOCC1 ZINC000185505617 262058134 /nfs/dbraw/zinc/05/81/34/262058134.db2.gz KGOWRUVTZNMLLX-STQMWFEESA-N 1 0 296.386 2.150 20 10 CECDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000186520306 262096549 /nfs/dbraw/zinc/09/65/49/262096549.db2.gz YTLTYINZTHCIDD-GKUNOOHESA-N 1 0 265.353 2.379 20 10 CECDRO COc1cc(O)c(C[N@H+]2CC[C@@H](OC)C[C@H]2C)cc1OC ZINC000282364297 263076154 /nfs/dbraw/zinc/07/61/54/263076154.db2.gz PVYMTIWKKMZDDS-DGCLKSJQSA-N 1 0 295.379 2.409 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCOC[C@H]2C)c1O ZINC000285655836 263094711 /nfs/dbraw/zinc/09/47/11/263094711.db2.gz YRKHMGYFWPYWDV-VXGBXAGGSA-N 1 0 265.353 2.163 20 10 CECDRO C[N@H+](C[C@@H](O)COc1ccc(N2CCCC2)cc1)C1CC1 ZINC000290851478 263118905 /nfs/dbraw/zinc/11/89/05/263118905.db2.gz XLFGJYHMCCELID-MRXNPFEDSA-N 1 0 290.407 2.121 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000368028317 267137546 /nfs/dbraw/zinc/13/75/46/267137546.db2.gz CPLFLXXWTMOKAE-YUTCNCBUSA-N 1 0 293.363 2.106 20 10 CECDRO CN1CCc2cc(C[NH2+][C@@H]3CCc4nc[nH]c4C3)ccc21 ZINC000368091847 267145476 /nfs/dbraw/zinc/14/54/76/267145476.db2.gz YAHFCXOXIMADIW-CQSZACIVSA-N 1 0 282.391 2.049 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCOCC[C@H]2C)c1 ZINC000368131989 267146374 /nfs/dbraw/zinc/14/63/74/267146374.db2.gz OYHMFXZVEIKICM-LLVKDONJSA-N 1 0 251.326 2.012 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000369215093 267226650 /nfs/dbraw/zinc/22/66/50/267226650.db2.gz NSYCVICMZMSNSB-SMDDNHRTSA-N 1 0 263.337 2.012 20 10 CECDRO Oc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000369393369 267239489 /nfs/dbraw/zinc/23/94/89/267239489.db2.gz WZOZKHBEYGLIJM-OAHLLOKOSA-N 1 0 270.332 2.441 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000374271982 267770397 /nfs/dbraw/zinc/77/03/97/267770397.db2.gz PPICKJXBDVJUQQ-RDJZCZTQSA-N 1 0 290.407 2.180 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1C ZINC000374268274 267770580 /nfs/dbraw/zinc/77/05/80/267770580.db2.gz FRTYETOKRYBSBP-DOTOQJQBSA-N 1 0 291.391 2.437 20 10 CECDRO CC[N@@H+]1CCN(Cc2cc(F)ccc2O)[C@H](C)C1 ZINC000289186230 276196461 /nfs/dbraw/zinc/19/64/61/276196461.db2.gz AOGHHHPUTGLORB-LLVKDONJSA-N 1 0 252.333 2.057 20 10 CECDRO COc1cccc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1O ZINC000289698712 278011512 /nfs/dbraw/zinc/01/15/12/278011512.db2.gz OLWJJLGCBULLNZ-UKRRQHHQSA-N 1 0 290.407 2.459 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297794714 278159565 /nfs/dbraw/zinc/15/95/65/278159565.db2.gz QBMMJPIAADOBRT-SUZMYJTESA-N 1 0 267.394 2.082 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000271842462 328197954 /nfs/dbraw/zinc/19/79/54/328197954.db2.gz RDZBTHDBFOTLBM-RYUDHWBXSA-N 1 0 265.353 2.306 20 10 CECDRO COc1cccc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1O ZINC000273090079 328203935 /nfs/dbraw/zinc/20/39/35/328203935.db2.gz KUWKAAOCLHJROT-CVEARBPZSA-N 1 0 277.364 2.448 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000226618175 329262470 /nfs/dbraw/zinc/26/24/70/329262470.db2.gz VCKXSESNABGUED-JSGCOSHPSA-N 1 0 251.301 2.188 20 10 CECDRO CCCN(CC(=O)OCC)Cc1cccc(OC)c1O ZINC000092380488 327193575 /nfs/dbraw/zinc/19/35/75/327193575.db2.gz ZEDZXXPUDKXEHR-UHFFFAOYSA-N 1 0 281.352 2.176 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1 ZINC000294002306 327194488 /nfs/dbraw/zinc/19/44/88/327194488.db2.gz MHLSOKBPUJHNHG-IAQYHMDHSA-N 1 0 265.353 2.042 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)cc1 ZINC000377389143 329013638 /nfs/dbraw/zinc/01/36/38/329013638.db2.gz FYRNSTBTXRKQOC-AWEZNQCLSA-N 1 0 285.395 2.250 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000180316410 329219556 /nfs/dbraw/zinc/21/95/56/329219556.db2.gz NDCJJSOAEMAPBU-MLGOLLRUSA-N 1 0 277.364 2.402 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccccc1O ZINC000359990933 329644829 /nfs/dbraw/zinc/64/48/29/329644829.db2.gz CSRKREDUKSDROC-FMSGJZPZSA-N 1 0 274.364 2.052 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527804827 330284371 /nfs/dbraw/zinc/28/43/71/330284371.db2.gz BTZOFNWYZWYTOH-OAHLLOKOSA-N 1 0 260.381 2.499 20 10 CECDRO CCn1nncc1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000527920312 330295687 /nfs/dbraw/zinc/29/56/87/330295687.db2.gz NVYZSBNIMSNNCN-NSHDSACASA-N 1 0 260.341 2.163 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC(C)(C)O)c1O ZINC000081747347 330352140 /nfs/dbraw/zinc/35/21/40/330352140.db2.gz OFNMIXOUTHRNKG-UHFFFAOYSA-N 1 0 285.771 2.451 20 10 CECDRO C=Cn1cc(C[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000194343800 330841716 /nfs/dbraw/zinc/84/17/16/330841716.db2.gz RJZUWAUXCGZCDG-UHFFFAOYSA-N 1 0 256.353 2.339 20 10 CECDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000227712548 333287459 /nfs/dbraw/zinc/28/74/59/333287459.db2.gz DHZMEYPZPCAQKT-SWLSCSKDSA-N 1 0 266.385 2.065 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1O ZINC000230315846 333316500 /nfs/dbraw/zinc/31/65/00/333316500.db2.gz MCWWLFMFOZJNAV-WFASDCNBSA-N 1 0 263.337 2.058 20 10 CECDRO CCc1cnc(C[NH2+]Cc2cc3c(cc2O)OCO3)s1 ZINC000230706418 333321346 /nfs/dbraw/zinc/32/13/46/333321346.db2.gz HQYWCSQNKSRFJU-UHFFFAOYSA-N 1 0 292.360 2.430 20 10 CECDRO Oc1cccc2c1[C@@H](N[C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530217564 333528585 /nfs/dbraw/zinc/52/85/85/333528585.db2.gz UAVNJYAOGDBZSK-GXTWGEPZSA-N 1 0 258.365 2.254 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c1 ZINC000133943184 334074188 /nfs/dbraw/zinc/07/41/88/334074188.db2.gz XEKIGIOASHTNML-OAHLLOKOSA-N 1 0 260.381 2.371 20 10 CECDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000131276283 519801234 /nfs/dbraw/zinc/80/12/34/519801234.db2.gz WWQDPRRVXYHHOF-WFASDCNBSA-N 1 0 250.386 2.420 20 10 CECDRO CCCOc1ccc(C[NH+]2CCN(C3CC3)CC2)c(O)c1 ZINC000127934877 520346852 /nfs/dbraw/zinc/34/68/52/520346852.db2.gz STKVCNREMRBSHA-UHFFFAOYSA-N 1 0 290.407 2.461 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)CO)cc1 ZINC000289480417 520892011 /nfs/dbraw/zinc/89/20/11/520892011.db2.gz QKLYJIHNRMRMNM-ZDUSSCGKSA-N 1 0 250.386 2.345 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](C)C(=O)NC)cc1 ZINC000093899672 520892497 /nfs/dbraw/zinc/89/24/97/520892497.db2.gz XYFYVMNLLYZCTM-CQSZACIVSA-N 1 0 291.439 2.347 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1 ZINC000293001626 521151746 /nfs/dbraw/zinc/15/17/46/521151746.db2.gz NBNXEQPXOYDBPE-WBMJQRKESA-N 1 0 279.380 2.432 20 10 CECDRO CCC[N@H+](CCO)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000050145958 521666916 /nfs/dbraw/zinc/66/69/16/521666916.db2.gz DBYLNFAXMHFELF-UHFFFAOYSA-N 1 0 285.771 2.453 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280282049 521745640 /nfs/dbraw/zinc/74/56/40/521745640.db2.gz YOIBUOJHZHJGIK-AAEUAGOBSA-N 1 0 264.369 2.266 20 10 CECDRO CN(C)c1ccc(CN2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000130142275 522175369 /nfs/dbraw/zinc/17/53/69/522175369.db2.gz ITTHGDRWVQMISZ-AWEZNQCLSA-N 1 0 279.403 2.418 20 10 CECDRO CN(C)c1ccc(C[NH2+]C(C)(C)CCO)cc1F ZINC000266172393 522205508 /nfs/dbraw/zinc/20/55/08/522205508.db2.gz RQNNILGWZQDUIE-UHFFFAOYSA-N 1 0 254.349 2.142 20 10 CECDRO CC[C@H]([NH3+])C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000236914162 522326234 /nfs/dbraw/zinc/32/62/34/522326234.db2.gz MWRRWUKJODOJHK-ZDUSSCGKSA-N 1 0 281.375 2.025 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCCO1 ZINC000278928504 522361609 /nfs/dbraw/zinc/36/16/09/522361609.db2.gz USMWMBXFYMTMCR-ZBFHGGJFSA-N 1 0 296.386 2.175 20 10 CECDRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(C)cc1O ZINC000280277968 522639569 /nfs/dbraw/zinc/63/95/69/522639569.db2.gz YGPSQPAXCNQPHK-DUVNUKRYSA-N 1 0 279.380 2.281 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccccc1O ZINC000036976949 522750418 /nfs/dbraw/zinc/75/04/18/522750418.db2.gz RSUDVEGYJVJYAW-STQMWFEESA-N 1 0 262.353 2.102 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@@H]1CCCO1 ZINC000278616631 522751866 /nfs/dbraw/zinc/75/18/66/522751866.db2.gz JHFJRBJULNNSFE-HOCLYGCPSA-N 1 0 279.380 2.287 20 10 CECDRO CC[C@@H]([NH2+]CC(=O)N(C)CC)c1ccc(C)cc1O ZINC000280056280 522811374 /nfs/dbraw/zinc/81/13/74/522811374.db2.gz JZNPSADZLLJUJM-CYBMUJFWSA-N 1 0 264.369 2.220 20 10 CECDRO COC(=O)C1CCC([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000264408799 522904699 /nfs/dbraw/zinc/90/46/99/522904699.db2.gz OBQOHJKMXQDKEZ-UHFFFAOYSA-N 1 0 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294.395 2.404 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC(=O)NC2(C)C)c1 ZINC000802313749 631424607 /nfs/dbraw/zinc/42/46/07/631424607.db2.gz OAAJTYHRDYSKEA-YGRLFVJLSA-N 1 0 292.379 2.109 20 10 CECDRO COCCO[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000802652386 631440399 /nfs/dbraw/zinc/44/03/99/631440399.db2.gz FVIBXSLXXAOIEA-AWEZNQCLSA-N 1 0 265.353 2.020 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CC[C@H](C3CC3)O1)OCO2 ZINC000897511709 631603162 /nfs/dbraw/zinc/60/31/62/631603162.db2.gz OVTQIHRRTFUUDP-GXTWGEPZSA-N 1 0 291.347 2.168 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000897511722 631603169 /nfs/dbraw/zinc/60/31/69/631603169.db2.gz PCICEUHYYRPTOQ-IUODEOHRSA-N 1 0 277.364 2.448 20 10 CECDRO Oc1ccc(Br)cc1CNC[C@H]1CCCC[NH2+]1 ZINC000841032337 631820378 /nfs/dbraw/zinc/82/03/78/631820378.db2.gz CPXZDJQUHUWGEE-GFCCVEGCSA-N 1 0 299.212 2.386 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cc1Cl ZINC000897680656 631865697 /nfs/dbraw/zinc/86/56/97/631865697.db2.gz UTVIYQJQEWXDMK-ZANVPECISA-N 1 0 255.745 2.167 20 10 CECDRO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)cc1F ZINC000897683360 631869184 /nfs/dbraw/zinc/86/91/84/631869184.db2.gz CCEMDFFMKVOQDR-LRDDRELGSA-N 1 0 280.387 2.485 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H](O)C2CC2)c1 ZINC000898199001 632111973 /nfs/dbraw/zinc/11/19/73/632111973.db2.gz XXJFTHXEUIDTRS-HZMBPMFUSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc(O)c1CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000809724182 632133499 /nfs/dbraw/zinc/13/34/99/632133499.db2.gz GBPSQPZUAYCSQL-DZGCQCFKSA-N 1 0 290.407 2.459 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc3n2CCC3)c1 ZINC000825935560 635735327 /nfs/dbraw/zinc/73/53/27/635735327.db2.gz XYKRHZIFLCXCCV-NSHDSACASA-N 1 0 287.363 2.394 20 10 CECDRO CC[C@](C)(C[NH2+]Cc1ccc(OC)cc1O)OC ZINC000322509250 632214360 /nfs/dbraw/zinc/21/43/60/632214360.db2.gz ILXVIDZNZONLDV-CQSZACIVSA-N 1 0 253.342 2.306 20 10 CECDRO COCC[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000812299371 632505661 /nfs/dbraw/zinc/50/56/61/632505661.db2.gz IREWSVIDIIICRC-INIZCTEOSA-N 1 0 291.391 2.118 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccnn2C)c(O)c1C ZINC000927136325 632532013 /nfs/dbraw/zinc/53/20/13/632532013.db2.gz QNBOLFOGVKRLLQ-DOMZBBRYSA-N 1 0 289.379 2.127 20 10 CECDRO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000898547338 632532915 /nfs/dbraw/zinc/53/29/15/632532915.db2.gz FVOGRXDLOUVIJO-MRXNPFEDSA-N 1 0 289.423 2.162 20 10 CECDRO C[C@H](NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1O ZINC000899181402 632726762 /nfs/dbraw/zinc/72/67/62/632726762.db2.gz BREZCXSZXWJQSW-WCQYABFASA-N 1 0 276.380 2.442 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899267133 632765497 /nfs/dbraw/zinc/76/54/97/632765497.db2.gz JFYHJNIHSFBKPI-LBPRGKRZSA-N 1 0 274.412 2.473 20 10 CECDRO C[C@@H](CF)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000814301203 632821449 /nfs/dbraw/zinc/82/14/49/632821449.db2.gz YRVVCDQVTNNISM-NSHDSACASA-N 1 0 270.323 2.110 20 10 CECDRO COCC1([NH2+]Cc2cc(C)c(C)cc2O)CCOCC1 ZINC000814301707 632821888 /nfs/dbraw/zinc/82/18/88/632821888.db2.gz BRRLESNUYMJVQL-UHFFFAOYSA-N 1 0 279.380 2.294 20 10 CECDRO C[C@](O)(C[NH2+]Cc1ccc(N2CC=CC2)cc1)C(F)F ZINC000905133951 635839742 /nfs/dbraw/zinc/83/97/42/635839742.db2.gz NBMYERXGPULEQN-HNNXBMFYSA-N 1 0 282.334 2.169 20 10 CECDRO Cc1cc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)ccc1N(C)C ZINC000815105978 632960434 /nfs/dbraw/zinc/96/04/34/632960434.db2.gz NXYHKSQZKVVFST-RHSMWYFYSA-N 1 0 292.423 2.033 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)cc1 ZINC000815118159 632962231 /nfs/dbraw/zinc/96/22/31/632962231.db2.gz GCDDADJUQCLODK-HNNXBMFYSA-N 1 0 262.397 2.488 20 10 CECDRO C[NH+]1CCN(c2ccc(CNCC(C)(F)F)cc2)CC1 ZINC000815146749 632972360 /nfs/dbraw/zinc/97/23/60/632972360.db2.gz IXXGDCRAWAMEPD-UHFFFAOYSA-N 1 0 283.366 2.183 20 10 CECDRO COc1cc(O)c(C[NH2+]CC[C@H](C)F)cc1OC ZINC000816643894 633455654 /nfs/dbraw/zinc/45/56/54/633455654.db2.gz UZTNTRAMLLACSQ-VIFPVBQESA-N 1 0 257.305 2.247 20 10 CECDRO CCCN1C[C@@H](C[NH2+]Cc2cc(C)ccc2O)CC1=O ZINC000817411007 633651257 /nfs/dbraw/zinc/65/12/57/633651257.db2.gz LALDKHNUPQFQAU-CYBMUJFWSA-N 1 0 276.380 2.049 20 10 CECDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000817414635 633652969 /nfs/dbraw/zinc/65/29/69/633652969.db2.gz MZNRWTMUEKUBEU-BXKDBHETSA-N 1 0 255.745 2.391 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2OC)CCO1 ZINC000817415395 633654629 /nfs/dbraw/zinc/65/46/29/633654629.db2.gz RZPSGRJTMFGDDQ-VXGBXAGGSA-N 1 0 265.353 2.448 20 10 CECDRO CC[C@@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000817896388 633757901 /nfs/dbraw/zinc/75/79/01/633757901.db2.gz ICVCTLOSAVGGEP-CVEARBPZSA-N 1 0 261.413 2.373 20 10 CECDRO C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817941795 633790096 /nfs/dbraw/zinc/79/00/96/633790096.db2.gz RSRAJJDRWQNCDL-VIFPVBQESA-N 1 0 270.323 2.321 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCC([NH3+])CC2)c1 ZINC000817947792 633793314 /nfs/dbraw/zinc/79/33/14/633793314.db2.gz RDWNZWGIAMCBKL-PKSQDBQZSA-N 1 0 292.379 2.099 20 10 CECDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817948296 633793322 /nfs/dbraw/zinc/79/33/22/633793322.db2.gz WUMKMQKYRGQTAD-SRVKXCTJSA-N 1 0 293.367 2.339 20 10 CECDRO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1cc(F)ccc1O ZINC000817950803 633796465 /nfs/dbraw/zinc/79/64/65/633796465.db2.gz ZGECGCNAYHRQBA-ZYHUDNBSSA-N 1 0 252.333 2.324 20 10 CECDRO CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817960931 633802361 /nfs/dbraw/zinc/80/23/61/633802361.db2.gz UPNMRDLHAVKRBC-NSHDSACASA-N 1 0 294.395 2.347 20 10 CECDRO CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817966994 633810127 /nfs/dbraw/zinc/81/01/27/633810127.db2.gz BJXXCLITSGDXMH-CQSZACIVSA-N 1 0 264.344 2.492 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000817972656 633815687 /nfs/dbraw/zinc/81/56/87/633815687.db2.gz ZHJVJGDTMADSBO-KKZNHRDASA-N 1 0 270.323 2.462 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000817972658 633816212 /nfs/dbraw/zinc/81/62/12/633816212.db2.gz ZHJVJGDTMADSBO-YWVKMMECSA-N 1 0 270.323 2.462 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cc(F)cc(F)c1[O-] ZINC000817982704 633826235 /nfs/dbraw/zinc/82/62/35/633826235.db2.gz VOVRPENVPIYNIG-ATZCPNFKSA-N 1 0 270.323 2.448 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CNCCO1)c1cc(Cl)ccc1O ZINC000817982992 633826499 /nfs/dbraw/zinc/82/64/99/633826499.db2.gz JHFSTQMAOKGLLS-WCQYABFASA-N 1 0 284.787 2.075 20 10 CECDRO CSC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818954537 634015062 /nfs/dbraw/zinc/01/50/62/634015062.db2.gz UUEDVUUPMJMOAK-OAHLLOKOSA-N 1 0 280.437 2.100 20 10 CECDRO COCC(C)(C)[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000822497911 634931312 /nfs/dbraw/zinc/93/13/12/634931312.db2.gz OBASTCIPGLZIJQ-UHFFFAOYSA-N 1 0 296.386 2.074 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCOC13CCOCC3)CC2 ZINC000903391146 635087637 /nfs/dbraw/zinc/08/76/37/635087637.db2.gz WFTOZEYGIMKFIT-UKRRQHHQSA-N 1 0 289.375 2.307 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccccc1O ZINC000903387304 635097838 /nfs/dbraw/zinc/09/78/38/635097838.db2.gz GRTFNBYKOWNZSE-DOMZBBRYSA-N 1 0 277.364 2.381 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H]([NH3+])C(C)(C)C2)c1O ZINC000903551497 635165589 /nfs/dbraw/zinc/16/55/89/635165589.db2.gz MSKLGGFPRLIGPE-CYBMUJFWSA-N 1 0 296.798 2.417 20 10 CECDRO Cc1cc(O)c(CN(C)CC(=O)NC(C)C)cc1Cl ZINC000824535703 635444708 /nfs/dbraw/zinc/44/47/08/635444708.db2.gz USVYFHWPMBOPKG-UHFFFAOYSA-N 1 0 284.787 2.310 20 10 CECDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000824709728 635483404 /nfs/dbraw/zinc/48/34/04/635483404.db2.gz SHVIXFFWFMRXIU-CJNGLKHVSA-N 1 0 296.386 2.033 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCSC[C@@H]1C1CC1)OCO2 ZINC000824914321 635523609 /nfs/dbraw/zinc/52/36/09/635523609.db2.gz PGVHMJIXSWERQX-GFCCVEGCSA-N 1 0 293.388 2.448 20 10 CECDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1cc(Cl)ccc1O ZINC000825046020 635548163 /nfs/dbraw/zinc/54/81/63/635548163.db2.gz OGIVYONZPHOXEV-SNVBAGLBSA-N 1 0 279.771 2.500 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCCCNC2=O)cc1Cl ZINC000825096799 635566042 /nfs/dbraw/zinc/56/60/42/635566042.db2.gz JIHOSOUBNGPDBI-LBPRGKRZSA-N 1 0 282.771 2.112 20 10 CECDRO CC[C@@H](C)[NH+]1CCN(Cc2c(O)cccc2OC)CC1 ZINC000825098351 635566343 /nfs/dbraw/zinc/56/63/43/635566343.db2.gz HJSYLISPVXYLCB-CYBMUJFWSA-N 1 0 278.396 2.317 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)CN2CCCC2=O)cc1Cl ZINC000825127645 635574617 /nfs/dbraw/zinc/57/46/17/635574617.db2.gz ZAPBAGYSMHQXGE-NSHDSACASA-N 1 0 296.798 2.455 20 10 CECDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000904355013 635586791 /nfs/dbraw/zinc/58/67/91/635586791.db2.gz JSYYZLDTDMWJMZ-WFASDCNBSA-N 1 0 260.381 2.099 20 10 CECDRO c1cc2c(cc1CN[C@@]13CCC[C@@H]1[NH2+]CC3)CCCO2 ZINC000904383736 635605760 /nfs/dbraw/zinc/60/57/60/635605760.db2.gz CZHJMRKMGWJXPR-DLBZAZTESA-N 1 0 272.392 2.386 20 10 CECDRO O=C(N1Cc2cccc(O)c2C1)C12CCC[NH+](CCC1)C2 ZINC000825356547 635624623 /nfs/dbraw/zinc/62/46/23/635624623.db2.gz XSAFADJFMKOLEQ-UHFFFAOYSA-N 1 0 286.375 2.110 20 10 CECDRO COc1cccc(O)c1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904430069 635625689 /nfs/dbraw/zinc/62/56/89/635625689.db2.gz DVAYHWCJHCRYES-MRXNPFEDSA-N 1 0 276.380 2.119 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420179 635631521 /nfs/dbraw/zinc/63/15/21/635631521.db2.gz FSWRJRVOZOYQPI-CMPLNLGQSA-N 1 0 266.772 2.087 20 10 CECDRO [NH3+]C1(CNCc2ccc(N3CCCCC3)cc2)CC1 ZINC000904450280 635642173 /nfs/dbraw/zinc/64/21/73/635642173.db2.gz QPURGCITQUAYHA-UHFFFAOYSA-N 1 0 259.397 2.258 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCCON)cc1F ZINC000904458217 635643252 /nfs/dbraw/zinc/64/32/52/635643252.db2.gz VNJAUPRJGQOEAB-UHFFFAOYSA-N 1 0 269.364 2.042 20 10 CECDRO NOCCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000904457738 635643300 /nfs/dbraw/zinc/64/33/00/635643300.db2.gz UKQCBEWYJPWISS-UHFFFAOYSA-N 1 0 263.385 2.047 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)N2CCCC2)cc1Cl ZINC000825768702 635710578 /nfs/dbraw/zinc/71/05/78/635710578.db2.gz VYWNENDYSRUUTJ-NSHDSACASA-N 1 0 296.798 2.455 20 10 CECDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000825942566 635736695 /nfs/dbraw/zinc/73/66/95/635736695.db2.gz CWTVZOOOCNSROC-HZPDHXFCSA-N 1 0 289.423 2.099 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1O ZINC000826791240 635847662 /nfs/dbraw/zinc/84/76/62/635847662.db2.gz UTFGCVHJSWCGRB-UHFFFAOYSA-N 1 0 286.375 2.324 20 10 CECDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826846398 635860742 /nfs/dbraw/zinc/86/07/42/635860742.db2.gz UNNQAZGECMLCIA-LLVKDONJSA-N 1 0 292.770 2.159 20 10 CECDRO COC[C@@H]([NH2+]Cc1cccc(C)c1O)C1CCOCC1 ZINC000826872119 635867418 /nfs/dbraw/zinc/86/74/18/635867418.db2.gz GXLQTYVKBMQTRZ-OAHLLOKOSA-N 1 0 279.380 2.232 20 10 CECDRO COC[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CCOCC1 ZINC000826872870 635867533 /nfs/dbraw/zinc/86/75/33/635867533.db2.gz ZCAURXKRITUXLR-CQSZACIVSA-N 1 0 283.343 2.063 20 10 CECDRO O=C1CC[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CC[C@H]2N1 ZINC000827133909 636230438 /nfs/dbraw/zinc/23/04/38/636230438.db2.gz XUHDXGXXWROJPD-ZWNOBZJWSA-N 1 0 294.782 2.146 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)C[C@@H]2COCCO2)c(Cl)c1 ZINC000827139462 636231471 /nfs/dbraw/zinc/23/14/71/636231471.db2.gz BBQMLTPCYMZNSY-LLVKDONJSA-N 1 0 285.771 2.201 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@]1(C)CO ZINC000827699282 636398319 /nfs/dbraw/zinc/39/83/19/636398319.db2.gz GGMGMJJCNLNUQR-WBMJQRKESA-N 1 0 280.387 2.342 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCCN(C=O)CC2)c(Cl)c1 ZINC000827867650 636447449 /nfs/dbraw/zinc/44/74/49/636447449.db2.gz LJPABANUTAJCDC-UHFFFAOYSA-N 1 0 282.771 2.018 20 10 CECDRO C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1(CO)CC1 ZINC000827903054 636455608 /nfs/dbraw/zinc/45/56/08/636455608.db2.gz AGWCBFIRYFYVFF-UHFFFAOYSA-N 1 0 259.708 2.141 20 10 CECDRO C[N@H+](Cc1cc(Cl)ccc1O)C1(CO)CCOCC1 ZINC000827908857 636457300 /nfs/dbraw/zinc/45/73/00/636457300.db2.gz RDWFSBGHTVDWHK-UHFFFAOYSA-N 1 0 285.771 2.019 20 10 CECDRO C[C@H](CC(=O)NCc1ccccc1O)C1CC[NH2+]CC1 ZINC000828016057 636486520 /nfs/dbraw/zinc/48/65/20/636486520.db2.gz SMQUHALBHFPXQS-GFCCVEGCSA-N 1 0 276.380 2.034 20 10 CECDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876510417 650297146 /nfs/dbraw/zinc/29/71/46/650297146.db2.gz VBZWHWFDHFVGND-CQSZACIVSA-N 1 0 277.364 2.476 20 10 CECDRO CC/C=C(\F)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506845 650294917 /nfs/dbraw/zinc/29/49/17/650294917.db2.gz PFMYAQPOWASOEV-MECSIWFOSA-N 1 0 279.359 2.132 20 10 CECDRO [NH3+]CCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597454 637107826 /nfs/dbraw/zinc/10/78/26/637107826.db2.gz JGRYQLFEUZTAFA-UHFFFAOYSA-N 1 0 276.380 2.016 20 10 CECDRO COc1ccc2c(c1)CCN2C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876630789 650367645 /nfs/dbraw/zinc/36/76/45/650367645.db2.gz KUTYWPAGVHMOLO-IRBQFCFKSA-N 1 0 286.375 2.140 20 10 CECDRO COC1([C@H](C)[NH2+]Cc2ccccc2O)CCOCC1 ZINC000834555007 637865075 /nfs/dbraw/zinc/86/50/75/637865075.db2.gz JPEAGTYGXRGKFL-LBPRGKRZSA-N 1 0 265.353 2.066 20 10 CECDRO C[C@@H]1CCN(CC[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834611532 637889985 /nfs/dbraw/zinc/88/99/85/637889985.db2.gz MJHJMRIJJLRFKQ-OCCSQVGLSA-N 1 0 260.381 2.311 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)C[C@]1(OC)CCOC1 ZINC000876654766 650378579 /nfs/dbraw/zinc/37/85/79/650378579.db2.gz OTGMZTOGULIZSF-MRXNPFEDSA-N 1 0 279.380 2.410 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000834880809 637977034 /nfs/dbraw/zinc/97/70/34/637977034.db2.gz ROJLTCSPXNBOSX-XJKCOSOUSA-N 1 0 279.380 2.403 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000834881019 637977108 /nfs/dbraw/zinc/97/71/08/637977108.db2.gz JONYWMNGCZLFMP-UKPHBRMFSA-N 1 0 292.423 2.455 20 10 CECDRO CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834901179 637981701 /nfs/dbraw/zinc/98/17/01/637981701.db2.gz QRZIYUUBQPGPIZ-YWVKMMECSA-N 1 0 280.343 2.194 20 10 CECDRO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(N(C)C)cc1 ZINC000834908149 637985085 /nfs/dbraw/zinc/98/50/85/637985085.db2.gz HGCWGJGBVGRLJR-LRDDRELGSA-N 1 0 275.396 2.072 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c1 ZINC000834910339 637985792 /nfs/dbraw/zinc/98/57/92/637985792.db2.gz WMPZDSWORBROLB-NHYWBVRUSA-N 1 0 262.353 2.020 20 10 CECDRO C[C@@H]1CN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000876657654 650382488 /nfs/dbraw/zinc/38/24/88/650382488.db2.gz QLKAEOODXWAYKU-GIBSZGAASA-N 1 0 286.375 2.356 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCN(C)C2)cc1 ZINC000835036142 638032935 /nfs/dbraw/zinc/03/29/35/638032935.db2.gz ACVDPIFMSALRJI-RGDDUWESSA-N 1 0 259.397 2.060 20 10 CECDRO CC[S@@](=O)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835040023 638033899 /nfs/dbraw/zinc/03/38/99/638033899.db2.gz OTUOIUCMXZAHGX-ZMBJWTFHSA-N 1 0 280.437 2.124 20 10 CECDRO CNC(=O)[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC000835040492 638035383 /nfs/dbraw/zinc/03/53/83/638035383.db2.gz DHMMWIWQCMJQAR-MOEXGYKKSA-N 1 0 289.423 2.126 20 10 CECDRO COC(=O)C1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835045917 638036046 /nfs/dbraw/zinc/03/60/46/638036046.db2.gz LOWFARQQKHWQBW-SNAWJCMRSA-N 1 0 288.391 2.309 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1 ZINC000835061726 638044371 /nfs/dbraw/zinc/04/43/71/638044371.db2.gz NLBWEEFODPRTMN-QGZVFWFLSA-N 1 0 289.423 2.291 20 10 CECDRO Nc1ccc(CCNC(=O)[C@@H]([NH3+])C2CCCCCC2)cc1 ZINC000911782993 638407639 /nfs/dbraw/zinc/40/76/39/638407639.db2.gz NOBREBCISQTLEV-INIZCTEOSA-N 1 0 289.423 2.225 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000876805658 650440541 /nfs/dbraw/zinc/44/05/41/650440541.db2.gz DSHRYPBTZZAKPL-HZPDHXFCSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1ccc(C(=O)NCCCC[N@@H+](C)C2CC2)c(O)c1O ZINC000837225326 639134942 /nfs/dbraw/zinc/13/49/42/639134942.db2.gz QFLMNUROBWVNTC-UHFFFAOYSA-N 1 0 292.379 2.010 20 10 CECDRO Cc1cccc(O)c1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000876885833 650474107 /nfs/dbraw/zinc/47/41/07/650474107.db2.gz REOJTBBHHUBICX-UHFFFAOYSA-N 1 0 286.379 2.308 20 10 CECDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000876905517 650480574 /nfs/dbraw/zinc/48/05/74/650480574.db2.gz IDBLBCHNZZJHMY-KRWDZBQOSA-N 1 0 292.423 2.284 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]CC1(O)CCC1 ZINC000163954666 639339828 /nfs/dbraw/zinc/33/98/28/639339828.db2.gz FHUMAASQHPSSCI-UHFFFAOYSA-N 1 0 286.169 2.159 20 10 CECDRO CCCNC(=O)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000045072556 639386742 /nfs/dbraw/zinc/38/67/42/639386742.db2.gz JNNNAPIGQGPYTR-GFCCVEGCSA-N 1 0 264.369 2.268 20 10 CECDRO OCCC1(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000157352804 639483432 /nfs/dbraw/zinc/48/34/32/639483432.db2.gz FPTMHZHUCSHGQR-UHFFFAOYSA-N 1 0 255.745 2.298 20 10 CECDRO CCN1CCC([N@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000226562089 639553502 /nfs/dbraw/zinc/55/35/02/639553502.db2.gz HJJARPRMWBZYOR-UHFFFAOYSA-N 1 0 266.360 2.447 20 10 CECDRO C[C@@H](C[NH2+]Cc1cc(F)ccc1O)N1CCCCC1 ZINC000226585833 639554382 /nfs/dbraw/zinc/55/43/82/639554382.db2.gz KZOPMUKJVVVDFP-LBPRGKRZSA-N 1 0 266.360 2.495 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000226611440 639555826 /nfs/dbraw/zinc/55/58/26/639555826.db2.gz OUUIPSQCGNKDSD-ZWNOBZJWSA-N 1 0 253.317 2.172 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000840883107 639571261 /nfs/dbraw/zinc/57/12/61/639571261.db2.gz DJUUJQBOTIYHIZ-SNVBAGLBSA-N 1 0 283.677 2.367 20 10 CECDRO CCCNC(=O)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840883614 639572792 /nfs/dbraw/zinc/57/27/92/639572792.db2.gz UCJYJOGETOKYKE-UHFFFAOYSA-N 1 0 284.787 2.360 20 10 CECDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000840888167 639573497 /nfs/dbraw/zinc/57/34/97/639573497.db2.gz BTCPNDJJWZEUQC-LBPRGKRZSA-N 1 0 285.409 2.176 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)COCC2CC2)c(Cl)c1 ZINC000840887060 639574352 /nfs/dbraw/zinc/57/43/52/639574352.db2.gz GPEFXCAWIHTAMR-GFCCVEGCSA-N 1 0 299.798 2.231 20 10 CECDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000840892047 639574948 /nfs/dbraw/zinc/57/49/48/639574948.db2.gz XKRAPBNOOYUUOR-RKDXNWHRSA-N 1 0 286.322 2.234 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCNc2cnccn2)c(Cl)c1 ZINC000840905052 639579817 /nfs/dbraw/zinc/57/98/17/639579817.db2.gz FRXHNIIJXUOPJX-UHFFFAOYSA-N 1 0 292.770 2.346 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000840908802 639580776 /nfs/dbraw/zinc/58/07/76/639580776.db2.gz JWUYKYFEKVTYHK-NSHDSACASA-N 1 0 296.798 2.455 20 10 CECDRO CSC[C@@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933058 639590083 /nfs/dbraw/zinc/59/00/83/639590083.db2.gz FBGIONKBXNOAND-CQSZACIVSA-N 1 0 282.453 2.265 20 10 CECDRO CN1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000227439031 639590562 /nfs/dbraw/zinc/59/05/62/639590562.db2.gz WPMYUCULHVFJOC-GFCCVEGCSA-N 1 0 299.212 2.339 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000840938369 639592179 /nfs/dbraw/zinc/59/21/79/639592179.db2.gz OEYSCSSRGMKKGF-HNNXBMFYSA-N 1 0 284.407 2.362 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000840938208 639592859 /nfs/dbraw/zinc/59/28/59/639592859.db2.gz LTLUDTHOGDUNBF-CZUORRHYSA-N 1 0 262.397 2.264 20 10 CECDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840942022 639595463 /nfs/dbraw/zinc/59/54/63/639595463.db2.gz ZVLBPFOGALIIDS-QGZVFWFLSA-N 1 0 289.423 2.019 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c1 ZINC000840974843 639607071 /nfs/dbraw/zinc/60/70/71/639607071.db2.gz IREPPMPHPXLBGF-UHFFFAOYSA-N 1 0 297.420 2.005 20 10 CECDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000840975010 639607783 /nfs/dbraw/zinc/60/77/83/639607783.db2.gz RYGVJURURYRLMA-HNNXBMFYSA-N 1 0 288.391 2.369 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CN)C2CC2)c1O ZINC000841027660 639620096 /nfs/dbraw/zinc/62/00/96/639620096.db2.gz DUNKQESFKHYCLM-LBPRGKRZSA-N 1 0 254.761 2.181 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](CN)C2CC2)cc1 ZINC000841028093 639621434 /nfs/dbraw/zinc/62/14/34/639621434.db2.gz LNPFCCIIWAVSSC-MRXNPFEDSA-N 1 0 261.413 2.360 20 10 CECDRO Cc1cccc(C[NH2+]C[C@@H](N)c2ccccc2)c1O ZINC000841034246 639626095 /nfs/dbraw/zinc/62/60/95/639626095.db2.gz BNOZVKAIWLVCGW-OAHLLOKOSA-N 1 0 256.349 2.490 20 10 CECDRO CCOC(=O)c1ccc(C[NH2+]CCc2ccc(N)cc2)o1 ZINC000841037091 639629028 /nfs/dbraw/zinc/62/90/28/639629028.db2.gz YGWAIGIDOCBOGM-UHFFFAOYSA-N 1 0 288.347 2.371 20 10 CECDRO CN(C)c1ccc([C@@H](N)C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000841046261 639631114 /nfs/dbraw/zinc/63/11/14/639631114.db2.gz YQKPPYSBDZGIAR-WFASDCNBSA-N 1 0 279.453 2.095 20 10 CECDRO COC1CCC([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000841044898 639631328 /nfs/dbraw/zinc/63/13/28/639631328.db2.gz FSJPQVYGTAZNJJ-PREGVCBESA-N 1 0 291.439 2.300 20 10 CECDRO Cc1cc(O)c(CN[C@H]2C[NH2+]CCC2(F)F)c(Cl)c1 ZINC000841080296 639648394 /nfs/dbraw/zinc/64/83/94/639648394.db2.gz OJWAYGQMHBNRQX-LBPRGKRZSA-N 1 0 290.741 2.441 20 10 CECDRO [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000841085054 639649374 /nfs/dbraw/zinc/64/93/74/639649374.db2.gz SVYIYKRXSMRIKO-ONGXEEELSA-N 1 0 299.212 2.372 20 10 CECDRO Cc1ccc(O)c(CN[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000841090544 639653408 /nfs/dbraw/zinc/65/34/08/639653408.db2.gz KFRZPHYULFIHFW-NSHDSACASA-N 1 0 262.275 2.070 20 10 CECDRO CN(C)c1ccc(/C=C/CN[C@H]2CCCC[NH2+]C2)cc1 ZINC000841091473 639654592 /nfs/dbraw/zinc/65/45/92/639654592.db2.gz YRPUPVYVEAZQMA-JFDDCEBESA-N 1 0 273.424 2.498 20 10 CECDRO COCC(C)(C)C[NH2+]Cc1ccc(OC)cc1O ZINC000311197847 639682839 /nfs/dbraw/zinc/68/28/39/639682839.db2.gz GXRHDRQEJXBVHQ-UHFFFAOYSA-N 1 0 253.342 2.163 20 10 CECDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(N)cc1 ZINC000841299987 639733351 /nfs/dbraw/zinc/73/33/51/639733351.db2.gz PSDACFVRJOAKHV-IUODEOHRSA-N 1 0 288.395 2.359 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COC(C)(C)O2)c1 ZINC000230206461 639746545 /nfs/dbraw/zinc/74/65/45/639746545.db2.gz RBGIZOVBYZLWAR-PWSUYJOCSA-N 1 0 281.352 2.203 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ccccc1O ZINC000230206242 639746695 /nfs/dbraw/zinc/74/66/95/639746695.db2.gz QZZFOKUVORUCME-GHMZBOCLSA-N 1 0 251.326 2.194 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCOC2)c1 ZINC000230672499 639778274 /nfs/dbraw/zinc/77/82/74/639778274.db2.gz AWKNSDHXVJRQOJ-RYUDHWBXSA-N 1 0 265.353 2.478 20 10 CECDRO Cc1cnc(C[NH2+]Cc2cc3c(cc2O)OCO3)s1 ZINC000230686361 639781516 /nfs/dbraw/zinc/78/15/16/639781516.db2.gz XLHZXAAVEIDPSJ-UHFFFAOYSA-N 1 0 278.333 2.176 20 10 CECDRO C[C@@H]([NH2+]CCc1ccn(C)n1)c1cc(F)ccc1O ZINC000230899366 639804741 /nfs/dbraw/zinc/80/47/41/639804741.db2.gz UPPUAULYUSXUPI-SNVBAGLBSA-N 1 0 263.316 2.158 20 10 CECDRO CCn1nncc1C[NH2+]CCCSc1nccs1 ZINC000841865570 639891035 /nfs/dbraw/zinc/89/10/35/639891035.db2.gz UGKRXIWAOMMOSD-UHFFFAOYSA-N 1 0 283.426 2.027 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000877029638 650537923 /nfs/dbraw/zinc/53/79/23/650537923.db2.gz JKTLNAJXRHTJGV-UHFFFAOYSA-N 1 0 290.407 2.439 20 10 CECDRO CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000842224699 639978327 /nfs/dbraw/zinc/97/83/27/639978327.db2.gz FBXVXNGDBXAWHY-DLBZAZTESA-N 1 0 294.439 2.144 20 10 CECDRO Cc1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)c(O)c1 ZINC000877035511 650541349 /nfs/dbraw/zinc/54/13/49/650541349.db2.gz HOOHCMQPTSNNLM-UHFFFAOYSA-N 1 0 283.371 2.320 20 10 CECDRO CC(C)C[C@@H]([NH3+])c1noc(Cc2ccc(N)cc2)n1 ZINC000842588640 640110767 /nfs/dbraw/zinc/11/07/67/640110767.db2.gz NRRLRBZEXFPQRX-GFCCVEGCSA-N 1 0 260.341 2.289 20 10 CECDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1c(O)cccc1OC ZINC000842753376 640169595 /nfs/dbraw/zinc/16/95/95/640169595.db2.gz FEYLCAFIFROCMR-VXGBXAGGSA-N 1 0 267.369 2.288 20 10 CECDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1c(O)cccc1OC ZINC000842753374 640169842 /nfs/dbraw/zinc/16/98/42/640169842.db2.gz FEYLCAFIFROCMR-RYUDHWBXSA-N 1 0 267.369 2.288 20 10 CECDRO C[N@H+](Cc1cccc(F)c1[O-])C1CCC([NH3+])CC1 ZINC000843055938 640258624 /nfs/dbraw/zinc/25/86/24/640258624.db2.gz SIPLYDMFQRHYBC-UHFFFAOYSA-N 1 0 252.333 2.233 20 10 CECDRO C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000843056807 640258782 /nfs/dbraw/zinc/25/87/82/640258782.db2.gz AICTXFDFMZVADI-BDAKNGLRSA-N 1 0 272.751 2.354 20 10 CECDRO C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000843057876 640260270 /nfs/dbraw/zinc/26/02/70/640260270.db2.gz NFFQESDXLDGPEL-ZJUUUORDSA-N 1 0 299.212 2.324 20 10 CECDRO CN(C)c1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000843104991 640282737 /nfs/dbraw/zinc/28/27/37/640282737.db2.gz OLNCERMNJMIUBP-GASCZTMLSA-N 1 0 259.397 2.079 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000877084398 650565052 /nfs/dbraw/zinc/56/50/52/650565052.db2.gz MOAFOVRQRHZDSC-GFCCVEGCSA-N 1 0 257.337 2.071 20 10 CECDRO Cc1cc(Cl)cc(CN2CC[NH2+]C[C@](C)(F)C2)c1O ZINC000843124826 640290290 /nfs/dbraw/zinc/29/02/90/640290290.db2.gz IHKJIBNWEMCPTH-AWEZNQCLSA-N 1 0 286.778 2.487 20 10 CECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCCCC[NH3+])c1 ZINC000843343356 640396319 /nfs/dbraw/zinc/39/63/19/640396319.db2.gz ZRUSKTCOEFZNSU-GFCCVEGCSA-N 1 0 294.395 2.349 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c1O ZINC000843351837 640399706 /nfs/dbraw/zinc/39/97/06/640399706.db2.gz GSERZFBGXYXICM-NXEZZACHSA-N 1 0 296.798 2.430 20 10 CECDRO CC(C)n1ncnc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843350824 640399749 /nfs/dbraw/zinc/39/97/49/640399749.db2.gz WAMVCNMFPQSCBP-UHFFFAOYSA-N 1 0 285.395 2.271 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])c1O ZINC000843353398 640400830 /nfs/dbraw/zinc/40/08/30/640400830.db2.gz HIPLHNNOIJZURT-BMIGLBTASA-N 1 0 294.370 2.293 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000843487475 640441181 /nfs/dbraw/zinc/44/11/81/640441181.db2.gz GUFUYADNBMCCOY-OAHLLOKOSA-N 1 0 289.423 2.099 20 10 CECDRO Cc1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c(O)c1 ZINC000877121395 650581482 /nfs/dbraw/zinc/58/14/82/650581482.db2.gz SJYAPXYNMUMGLR-NSHDSACASA-N 1 0 263.259 2.104 20 10 CECDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)c(O)c1 ZINC000877150438 650597098 /nfs/dbraw/zinc/59/70/98/650597098.db2.gz SFSMEZPYRFGFJT-LBPRGKRZSA-N 1 0 288.347 2.088 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(C3(O)CC3)CC2)c1 ZINC000846006724 641149238 /nfs/dbraw/zinc/14/92/38/641149238.db2.gz CLROSFSNNPTLSX-UHFFFAOYSA-N 1 0 261.365 2.438 20 10 CECDRO Cc1cc(C[NH2+]Cc2cc(Cl)ccc2O)nn1C ZINC000846054686 641165637 /nfs/dbraw/zinc/16/56/37/641165637.db2.gz DOKSXRKCVMBXNC-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c1O ZINC000846145142 641200288 /nfs/dbraw/zinc/20/02/88/641200288.db2.gz LTAKUNWAHBWLDQ-GHMZBOCLSA-N 1 0 252.358 2.002 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cn2cccn2)c1O ZINC000846146775 641202113 /nfs/dbraw/zinc/20/21/13/641202113.db2.gz LLENTPHDJSUDAF-NEPJUHHUSA-N 1 0 275.352 2.337 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1O ZINC000846168448 641210230 /nfs/dbraw/zinc/21/02/30/641210230.db2.gz CTWQEYUAUZGJIG-MNOVXSKESA-N 1 0 287.363 2.332 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1O ZINC000846168042 641210902 /nfs/dbraw/zinc/21/09/02/641210902.db2.gz QIMDJTRKGRWBMJ-PRWKNARSSA-N 1 0 297.420 2.353 20 10 CECDRO CC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000846190480 641218247 /nfs/dbraw/zinc/21/82/47/641218247.db2.gz QIFQZSNUCAOYAX-GUTXKFCHSA-N 1 0 275.396 2.057 20 10 CECDRO C[C@@H]([NH2+][C@H](CO)CCF)c1ccc(Cl)cc1O ZINC000846209984 641223472 /nfs/dbraw/zinc/22/34/72/641223472.db2.gz VEPJRASIVAFROI-SCZZXKLOSA-N 1 0 261.724 2.417 20 10 CECDRO C[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1ccccc1O ZINC000877256313 650644048 /nfs/dbraw/zinc/64/40/48/650644048.db2.gz RZRFSGNXWJHJDE-BLLLJJGKSA-N 1 0 296.370 2.284 20 10 CECDRO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccccc1O ZINC000877255450 650644134 /nfs/dbraw/zinc/64/41/34/650644134.db2.gz DGIBUIMAFKGQTE-MXYBEHONSA-N 1 0 288.391 2.490 20 10 CECDRO C[C@@H](CC(=O)Nc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000237596648 641357557 /nfs/dbraw/zinc/35/75/57/641357557.db2.gz FKDRRVDWCAYFNR-NWDGAFQWSA-N 1 0 261.369 2.233 20 10 CECDRO Cc1cc(C(=O)N2CC[NH2+]CC2)c(C)n1-c1ccccc1C ZINC000237729497 641377182 /nfs/dbraw/zinc/37/71/82/641377182.db2.gz WPCMFALQQDHUGP-UHFFFAOYSA-N 1 0 297.402 2.448 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000846698517 641400345 /nfs/dbraw/zinc/40/03/45/641400345.db2.gz IHEOOZHPALTUAG-DGCLKSJQSA-N 1 0 264.369 2.103 20 10 CECDRO CNC(=O)CCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000846775862 641419708 /nfs/dbraw/zinc/41/97/08/641419708.db2.gz DALIYVUETIXNJO-UHFFFAOYSA-N 1 0 289.423 2.243 20 10 CECDRO COC[C@@H](O)C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000071263818 641731739 /nfs/dbraw/zinc/73/17/39/641731739.db2.gz FTTNODWOTYFZCO-KRWDZBQOSA-N 1 0 288.391 2.191 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1 ZINC000071407924 641762760 /nfs/dbraw/zinc/76/27/60/641762760.db2.gz AYTXQIQXQRACTJ-UHFFFAOYSA-N 1 0 288.391 2.191 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000184266043 641850671 /nfs/dbraw/zinc/85/06/71/641850671.db2.gz WRICUNMVWVQDKQ-CQSZACIVSA-N 1 0 287.411 2.475 20 10 CECDRO O=C(CC[NH2+]C1CC1)NCc1ccc(N2CCCC2)cc1 ZINC000848410590 641982556 /nfs/dbraw/zinc/98/25/56/641982556.db2.gz HRZDOCBKZMIKJM-UHFFFAOYSA-N 1 0 287.407 2.045 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cnc(Cl)n2C)c1 ZINC000848535680 642041035 /nfs/dbraw/zinc/04/10/35/642041035.db2.gz FXDWONZMLVFAKV-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO CCc1cccc(C[NH2+]CCCNc2ncccn2)c1O ZINC000848890439 642174589 /nfs/dbraw/zinc/17/45/89/642174589.db2.gz IXKKWOGOQBRBIZ-UHFFFAOYSA-N 1 0 286.379 2.336 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)[C@H](C)N2CCOCC2)c1O ZINC000848894951 642176122 /nfs/dbraw/zinc/17/61/22/642176122.db2.gz ITYNSGJPHARXOJ-KGLIPLIRSA-N 1 0 292.423 2.153 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](C)CN2CCOCC2)c1O ZINC000848897079 642177056 /nfs/dbraw/zinc/17/70/56/642177056.db2.gz MSYAWOPWGCQATN-AWEZNQCLSA-N 1 0 292.423 2.013 20 10 CECDRO CCc1cccc(C[NH2+][C@]2(CCOC)CCOC2)c1O ZINC000848908235 642184071 /nfs/dbraw/zinc/18/40/71/642184071.db2.gz ZIEMTVAUPFMWLW-MRXNPFEDSA-N 1 0 279.380 2.240 20 10 CECDRO C[C@H](CN)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817966585 642184623 /nfs/dbraw/zinc/18/46/23/642184623.db2.gz QNDSMZWLMLDLEB-RNFRBKRXSA-N 1 0 291.164 2.292 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000848911168 642186635 /nfs/dbraw/zinc/18/66/35/642186635.db2.gz QUQSZIUFFRKRCJ-LLVKDONJSA-N 1 0 297.420 2.010 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1O ZINC000848917704 642190802 /nfs/dbraw/zinc/19/08/02/642190802.db2.gz JSSQVGNRKIMXCA-OAHLLOKOSA-N 1 0 286.379 2.383 20 10 CECDRO CCc1cccc(C[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)c1O ZINC000848918554 642192163 /nfs/dbraw/zinc/19/21/63/642192163.db2.gz DBWOGSDHPZCYQB-HUUCEWRRSA-N 1 0 291.391 2.333 20 10 CECDRO C[C@H](O)C[N@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000848928837 642199256 /nfs/dbraw/zinc/19/92/56/642199256.db2.gz PBTCRSWFHGNEEV-VIFPVBQESA-N 1 0 255.745 2.391 20 10 CECDRO CCCN(C[C@@H](OC)[C@@H]1CCOC1)c1ccc(C[NH3+])cc1 ZINC000877477385 650739838 /nfs/dbraw/zinc/73/98/38/650739838.db2.gz CEGRBYHTPHHUMF-NVXWUHKLSA-N 1 0 292.423 2.413 20 10 CECDRO CC1(C)[C@H]([NH2+]Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000128187618 651382219 /nfs/dbraw/zinc/38/22/19/651382219.db2.gz GTVBHBAFISVKRL-NEPJUHHUSA-N 1 0 255.745 2.295 20 10 CECDRO COCCO[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877502972 650754478 /nfs/dbraw/zinc/75/44/78/650754478.db2.gz XMOQOPVQGCDONC-HNNXBMFYSA-N 1 0 279.380 2.328 20 10 CECDRO c1cc2c(cc1C[NH2+]CCOC[C@@H]1CCOC1)CCCO2 ZINC000921721445 642561363 /nfs/dbraw/zinc/56/13/63/642561363.db2.gz IRFVEXKPAATITR-OAHLLOKOSA-N 1 0 291.391 2.154 20 10 CECDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c(O)c1 ZINC000877530984 650770541 /nfs/dbraw/zinc/77/05/41/650770541.db2.gz HFDWRDIIQHJVIZ-UKRRQHHQSA-N 1 0 262.397 2.473 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000850343905 642674457 /nfs/dbraw/zinc/67/44/57/642674457.db2.gz TWPDKIZFDVQZSG-GFCCVEGCSA-N 1 0 278.396 2.363 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](CO)C2CCC2)ccc1OC ZINC000850349514 642676469 /nfs/dbraw/zinc/67/64/69/642676469.db2.gz GSLIACHJOAQLBR-INIZCTEOSA-N 1 0 293.407 2.482 20 10 CECDRO CCOCc1cc(C[NH2+][C@H](C)C2(CO)CC2)ccc1OC ZINC000850361625 642682224 /nfs/dbraw/zinc/68/22/24/642682224.db2.gz UGOOSKLVOWRXFO-CYBMUJFWSA-N 1 0 293.407 2.482 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCO[C@H]2CC2(F)F)cc1F ZINC000850365084 642682977 /nfs/dbraw/zinc/68/29/77/642682977.db2.gz AUSHMXSLRAOSSS-ZDUSSCGKSA-N 1 0 288.313 2.406 20 10 CECDRO COc1cccc(C[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1O ZINC000850378732 642689316 /nfs/dbraw/zinc/68/93/16/642689316.db2.gz QWAPBDWWRMGPHA-OCCSQVGLSA-N 1 0 299.317 2.305 20 10 CECDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850409363 642703510 /nfs/dbraw/zinc/70/35/10/642703510.db2.gz SCLSKLJRMPLOFK-KGLIPLIRSA-N 1 0 252.333 2.159 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)CCCCO)C2)cc1 ZINC000850489210 642730111 /nfs/dbraw/zinc/73/01/11/642730111.db2.gz RZNIMBLNGRLIGL-CABCVRRESA-N 1 0 292.423 2.415 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)C2(CO)CC2)c1O ZINC000850513873 642735655 /nfs/dbraw/zinc/73/56/55/642735655.db2.gz HRGLCSOWSNXQGX-WDEREUQCSA-N 1 0 265.353 2.212 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC000850544573 642747367 /nfs/dbraw/zinc/74/73/67/642747367.db2.gz IHGQLBOLBWKUMN-AAEUAGOBSA-N 1 0 279.380 2.460 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)CC2CC2)c1 ZINC000850544575 642747798 /nfs/dbraw/zinc/74/77/98/642747798.db2.gz IHGQLBOLBWKUMN-WCQYABFASA-N 1 0 279.380 2.460 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000850547458 642748510 /nfs/dbraw/zinc/74/85/10/642748510.db2.gz GJEJJAQFSGGYFJ-LBPRGKRZSA-N 1 0 280.368 2.358 20 10 CECDRO OC1CCN(c2ccc(C[NH2+][C@H]3CCSC3)cc2)CC1 ZINC000850566516 642753813 /nfs/dbraw/zinc/75/38/13/642753813.db2.gz ORNULGOEBUJDRR-AWEZNQCLSA-N 1 0 292.448 2.243 20 10 CECDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000109772789 642925708 /nfs/dbraw/zinc/92/57/08/642925708.db2.gz OFNZSZMIQQUKAC-UHFFFAOYSA-N 1 0 284.359 2.384 20 10 CECDRO COC(OC)[C@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000922314489 643020821 /nfs/dbraw/zinc/02/08/21/643020821.db2.gz ZBLDXOGFJHZIMA-VIFPVBQESA-N 1 0 273.760 2.451 20 10 CECDRO COCCN1[C@H](C)C[N@@H+](Cc2ccc(C)cc2O)C[C@@H]1C ZINC000877606102 650811500 /nfs/dbraw/zinc/81/15/00/650811500.db2.gz OMHPWIKHROAIJE-GASCZTMLSA-N 1 0 292.423 2.242 20 10 CECDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1c(O)cccc1Cl ZINC000922590883 643148164 /nfs/dbraw/zinc/14/81/64/643148164.db2.gz WLDRNGQWFHFMEN-GFCCVEGCSA-N 1 0 298.814 2.246 20 10 CECDRO Cc1ccc(C[N@H+](CCOCCO)C2CCC2)c(O)c1 ZINC000877630136 650822248 /nfs/dbraw/zinc/82/22/48/650822248.db2.gz ZEEBBOWKAOUKDO-UHFFFAOYSA-N 1 0 279.380 2.064 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(O)c1 ZINC000922722909 643229738 /nfs/dbraw/zinc/22/97/38/643229738.db2.gz KBOCGUWROAGOIG-CFVMTHIKSA-N 1 0 289.375 2.472 20 10 CECDRO CCC[C@H](O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000922825841 643277787 /nfs/dbraw/zinc/27/77/87/643277787.db2.gz QFNNZKRANLFKGH-KRWDZBQOSA-N 1 0 292.423 2.164 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000877636835 650827809 /nfs/dbraw/zinc/82/78/09/650827809.db2.gz BUJWQPWVGZHANG-KRWDZBQOSA-N 1 0 293.407 2.358 20 10 CECDRO CCN(C)c1ccc(C[NH2+]C2(COC)CCOCC2)cc1 ZINC000852089218 643295710 /nfs/dbraw/zinc/29/57/10/643295710.db2.gz DIGXVYWTPSNJEQ-UHFFFAOYSA-N 1 0 292.423 2.428 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1O ZINC000852500648 643445847 /nfs/dbraw/zinc/44/58/47/643445847.db2.gz BZYHNMCNSOTHLM-UWVGGRQHSA-N 1 0 295.354 2.183 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 ZINC000877665524 650840720 /nfs/dbraw/zinc/84/07/20/650840720.db2.gz AHDZARHQOVLZSL-QZTJIDSGSA-N 1 0 299.370 2.325 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)C12CCOCC2 ZINC000923021212 643514374 /nfs/dbraw/zinc/51/43/74/643514374.db2.gz RLFJPOFTIZYJKP-UONOGXRCSA-N 1 0 297.782 2.065 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@H](O)C23CCOCC3)cc1C ZINC000923024820 643519185 /nfs/dbraw/zinc/51/91/85/643519185.db2.gz RDWPOTKRAHBXIM-HOTGVXAUSA-N 1 0 291.391 2.023 20 10 CECDRO CN(C)c1ccc(CNC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000852855847 643579750 /nfs/dbraw/zinc/57/97/50/643579750.db2.gz PMDHZUSUVMUGCM-UHFFFAOYSA-N 1 0 287.407 2.044 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)CC2([NH3+])CC2)cc1 ZINC000852857340 643580702 /nfs/dbraw/zinc/58/07/02/643580702.db2.gz PYACDWLTFWUFKE-UHFFFAOYSA-N 1 0 289.423 2.373 20 10 CECDRO C[NH2+][C@@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923284865 643639486 /nfs/dbraw/zinc/63/94/86/643639486.db2.gz WDFSKVXVIJYJRJ-OAHLLOKOSA-N 1 0 261.413 2.245 20 10 CECDRO CC(=O)c1cc(F)cc(CN2[C@H](C)C[NH2+][C@H](C)[C@@H]2C)c1O ZINC000923446330 643714270 /nfs/dbraw/zinc/71/42/70/643714270.db2.gz YGUGNBAIYUNQHQ-MXWKQRLJSA-N 1 0 294.370 2.305 20 10 CECDRO CC(=O)c1cc(F)cc(CN2[C@H](C)C[NH2+][C@H](C)[C@H]2C)c1O ZINC000923446329 643714331 /nfs/dbraw/zinc/71/43/31/643714331.db2.gz YGUGNBAIYUNQHQ-GMTAPVOTSA-N 1 0 294.370 2.305 20 10 CECDRO C[NH2+]C[C@@H](C)NCc1cc(C)cc(Br)c1O ZINC000853248629 643721913 /nfs/dbraw/zinc/72/19/13/643721913.db2.gz HZGAVYPUPKEPBF-SECBINFHSA-N 1 0 287.201 2.161 20 10 CECDRO CN1CCCc2cc(C[NH2+]CC3(O)CCCC3)ccc21 ZINC000087015749 643738576 /nfs/dbraw/zinc/73/85/76/643738576.db2.gz MOUZPJLOXKAKFV-UHFFFAOYSA-N 1 0 274.408 2.464 20 10 CECDRO CCOc1ccc(C[N@H+](C)[C@H]2CN3CCC2CC3)c(O)c1 ZINC000877707152 650862853 /nfs/dbraw/zinc/86/28/53/650862853.db2.gz YCYUEBLSMKJVCF-INIZCTEOSA-N 1 0 290.407 2.317 20 10 CECDRO COC(=O)C1CC([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000877721587 650870432 /nfs/dbraw/zinc/87/04/32/650870432.db2.gz SNVCFMRSVIBVFS-UHFFFAOYSA-N 1 0 269.728 2.087 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3COC[C@H]3C1)CCC2 ZINC000853586894 643823820 /nfs/dbraw/zinc/82/38/20/643823820.db2.gz ZAFLHQLTIPQVJY-GOEBONIOSA-N 1 0 273.376 2.349 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000877729782 650875950 /nfs/dbraw/zinc/87/59/50/650875950.db2.gz ZSTQSSHCZZDEME-CQSZACIVSA-N 1 0 295.354 2.207 20 10 CECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cccc(C)c1O)C2 ZINC000877723352 650871711 /nfs/dbraw/zinc/87/17/11/650871711.db2.gz ACIALKRZLWOGHP-WWGRRREGSA-N 1 0 275.348 2.132 20 10 CECDRO COc1ccc(N2CC[C@@H](N[C@@H](C)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000854216633 644013414 /nfs/dbraw/zinc/01/34/14/644013414.db2.gz BNZPQFYZGXGJFZ-JJRVBVJISA-N 1 0 289.423 2.004 20 10 CECDRO CCOC(=O)CC(C)(C)C[NH2+]Cc1cc(OC)ccc1O ZINC000838947369 644079914 /nfs/dbraw/zinc/07/99/14/644079914.db2.gz LNBOWEPLIUALAA-UHFFFAOYSA-N 1 0 295.379 2.470 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH+]2CC(CCO)C2)cc1 ZINC000839137050 644170947 /nfs/dbraw/zinc/17/09/47/644170947.db2.gz XPGOGZLDWLPULA-ARJAWSKDSA-N 1 0 260.381 2.080 20 10 CECDRO CCN(CC)c1ccc(C[NH+]2CC(CCO)C2)cc1 ZINC000839140410 644171603 /nfs/dbraw/zinc/17/16/03/644171603.db2.gz MTOVDIRPDSLJAL-UHFFFAOYSA-N 1 0 262.397 2.347 20 10 CECDRO CCOc1ccc(C[NH+]2CC(C(F)F)C2)c(O)c1 ZINC000839140159 644171814 /nfs/dbraw/zinc/17/18/14/644171814.db2.gz AVJLXMVWLJARAL-UHFFFAOYSA-N 1 0 257.280 2.488 20 10 CECDRO CC(C)(C[NH+]1CCCC1)NC(=O)C1=CC(=O)CS1 ZINC000854894093 644198094 /nfs/dbraw/zinc/19/80/94/644198094.db2.gz OQGUCHPFDUNEPE-UHFFFAOYSA-N 1 0 268.382 2.058 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)c1ccccc1O ZINC000877757183 650899975 /nfs/dbraw/zinc/89/99/75/650899975.db2.gz LYGQXXDNSNEZQP-NSHDSACASA-N 1 0 287.363 2.273 20 10 CECDRO Cc1cc(C)c(O)c(C[NH+]2CCC3(CNC(=O)C3)CC2)c1 ZINC000754735846 644422327 /nfs/dbraw/zinc/42/23/27/644422327.db2.gz DQFJRHOPPGUYSV-UHFFFAOYSA-N 1 0 288.391 2.111 20 10 CECDRO Cc1nccnc1[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000877828599 650924436 /nfs/dbraw/zinc/92/44/36/650924436.db2.gz MPEIFJVYWUDINF-JTQLQIEISA-N 1 0 261.300 2.481 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCOC[C@@H]2C)c(O)c1C ZINC000756534466 644659797 /nfs/dbraw/zinc/65/97/97/644659797.db2.gz KVQLKUZPKTXBFG-ZFWWWQNUSA-N 1 0 292.423 2.380 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c(O)c1 ZINC000756542564 644660543 /nfs/dbraw/zinc/66/05/43/644660543.db2.gz BIRMEUWWDYKFJB-UONOGXRCSA-N 1 0 278.396 2.072 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCOC[C@H]2CCOC2)c1 ZINC000756565809 644668563 /nfs/dbraw/zinc/66/85/63/644668563.db2.gz YTBTVPNPRKDUOP-STQMWFEESA-N 1 0 295.379 2.105 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2c1c(F)ccc2O ZINC000756595492 644673328 /nfs/dbraw/zinc/67/33/28/644673328.db2.gz WCEWIJUZSCBAFR-JFGNBEQYSA-N 1 0 292.354 2.290 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)c2c1c(F)ccc2O ZINC000756637192 644676804 /nfs/dbraw/zinc/67/68/04/644676804.db2.gz HCXGVRWFIPUXGB-JLLWLGSASA-N 1 0 292.354 2.290 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCCc3c(cnn3C)C2)cc1 ZINC000839624476 644757842 /nfs/dbraw/zinc/75/78/42/644757842.db2.gz HDNHUSKEPHWRLP-UHFFFAOYSA-N 1 0 284.407 2.435 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)Cc1ccncc1 ZINC000757886502 644854021 /nfs/dbraw/zinc/85/40/21/644854021.db2.gz DEDIEPDSQKRVJT-UHFFFAOYSA-N 1 0 258.321 2.428 20 10 CECDRO CC(=O)N1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000115629084 644969324 /nfs/dbraw/zinc/96/93/24/644969324.db2.gz DEZZRYVTGUNGAE-UHFFFAOYSA-N 1 0 289.423 2.162 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCCO2)cc1F ZINC000858087144 645055541 /nfs/dbraw/zinc/05/55/41/645055541.db2.gz UNBMEVJYFYGHOO-LLVKDONJSA-N 1 0 270.323 2.299 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CCC2(CO)CC2)cc1F ZINC000858172374 645080475 /nfs/dbraw/zinc/08/04/75/645080475.db2.gz RZMJOKAODOLFIY-UHFFFAOYSA-N 1 0 284.350 2.283 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000858470514 645171847 /nfs/dbraw/zinc/17/18/47/645171847.db2.gz IBRPVLGQRWAFIL-ZYHUDNBSSA-N 1 0 291.347 2.313 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc2c(cc1O)CCCC2 ZINC000858494237 645180966 /nfs/dbraw/zinc/18/09/66/645180966.db2.gz GESKGGIGNFTQJC-BPNCWPANSA-N 1 0 288.391 2.186 20 10 CECDRO C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)c2c1c(F)ccc2O ZINC000858545805 645196939 /nfs/dbraw/zinc/19/69/39/645196939.db2.gz VHCGOZYDJTZSCO-GUDRVLHUSA-N 1 0 265.328 2.440 20 10 CECDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000858580623 645209105 /nfs/dbraw/zinc/20/91/05/645209105.db2.gz SIOSNKRTAGTQDF-RYUDHWBXSA-N 1 0 280.368 2.068 20 10 CECDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000858580192 645209237 /nfs/dbraw/zinc/20/92/37/645209237.db2.gz XNBBJGTUWVJCSB-ATZCPNFKSA-N 1 0 296.342 2.078 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](OC)C2)c1O ZINC000858584493 645212507 /nfs/dbraw/zinc/21/25/07/645212507.db2.gz RTANYTXBKZCTHP-DCAQKATOSA-N 1 0 251.326 2.229 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)c1O ZINC000858592979 645216411 /nfs/dbraw/zinc/21/64/11/645216411.db2.gz QBXLDPVKSHAFNA-SDDRHHMPSA-N 1 0 265.353 2.476 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC2CC(O)C2)cc1F ZINC000762502571 645422001 /nfs/dbraw/zinc/42/20/01/645422001.db2.gz GGJIWKMRCSRMFU-UHFFFAOYSA-N 1 0 266.360 2.142 20 10 CECDRO CO[C@]1(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CCOC1 ZINC000763570466 645558614 /nfs/dbraw/zinc/55/86/14/645558614.db2.gz FEFZJCSOYIJWJQ-IETSOEAISA-N 1 0 295.354 2.475 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C)C2)cc1 ZINC000765767795 645805555 /nfs/dbraw/zinc/80/55/55/645805555.db2.gz HMUVLMCPKXGCTG-ZFWWWQNUSA-N 1 0 261.413 2.497 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C)C2)cc1 ZINC000765767790 645805766 /nfs/dbraw/zinc/80/57/66/645805766.db2.gz HMUVLMCPKXGCTG-DZGCQCFKSA-N 1 0 261.413 2.497 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000767717739 646033821 /nfs/dbraw/zinc/03/38/21/646033821.db2.gz NFXVEQUPSBBGQW-HNNXBMFYSA-N 1 0 291.322 2.363 20 10 CECDRO CC(C)[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CC1 ZINC000768441813 646122639 /nfs/dbraw/zinc/12/26/39/646122639.db2.gz NTFGZJTXLSWKEA-AWEZNQCLSA-N 1 0 263.337 2.191 20 10 CECDRO COC[C@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768444801 646124234 /nfs/dbraw/zinc/12/42/34/646124234.db2.gz CUPWDHUKEUNGAJ-LBPRGKRZSA-N 1 0 265.353 2.178 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000769101695 646205958 /nfs/dbraw/zinc/20/59/58/646205958.db2.gz UJDYSRWCKMZKDV-NSHDSACASA-N 1 0 265.353 2.400 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)c(O)c1 ZINC000769468986 646274224 /nfs/dbraw/zinc/27/42/24/646274224.db2.gz RUUOXJIKSUJPLQ-HNNXBMFYSA-N 1 0 265.353 2.138 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1 ZINC000769526468 646282624 /nfs/dbraw/zinc/28/26/24/646282624.db2.gz LTUUDGCQIUFADW-INIZCTEOSA-N 1 0 291.391 2.471 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC1(CO)CCCC1 ZINC000769934357 646337210 /nfs/dbraw/zinc/33/72/10/646337210.db2.gz BEMRRJFOXPSILJ-UHFFFAOYSA-N 1 0 265.353 2.043 20 10 CECDRO C[C@]1(O)CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862249958 646380730 /nfs/dbraw/zinc/38/07/30/646380730.db2.gz BGXDRNGFXJWIHV-LBPRGKRZSA-N 1 0 286.169 2.111 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1O ZINC000862253782 646383448 /nfs/dbraw/zinc/38/34/48/646383448.db2.gz SNIDHYFQROJIMU-BONVTDFDSA-N 1 0 284.350 2.234 20 10 CECDRO C[C@@](CO)([NH2+]Cc1cc(F)ccc1O)c1cccc(O)c1 ZINC000862432438 646458119 /nfs/dbraw/zinc/45/81/19/646458119.db2.gz CMDRXUCTVJSTDT-INIZCTEOSA-N 1 0 291.322 2.234 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000862464610 646469388 /nfs/dbraw/zinc/46/93/88/646469388.db2.gz CVGMRTRCDNAKDC-CQSZACIVSA-N 1 0 274.364 2.104 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000862467318 646471438 /nfs/dbraw/zinc/47/14/38/646471438.db2.gz NTSRDYWAQYVIQF-HNNXBMFYSA-N 1 0 288.391 2.412 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000862467677 646471784 /nfs/dbraw/zinc/47/17/84/646471784.db2.gz WZGGHTVEXAXYAJ-CYBMUJFWSA-N 1 0 292.354 2.243 20 10 CECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000862488624 646478707 /nfs/dbraw/zinc/47/87/07/646478707.db2.gz NDKAPQSYKFRHQW-AWEZNQCLSA-N 1 0 275.348 2.442 20 10 CECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000862488940 646480058 /nfs/dbraw/zinc/48/00/58/646480058.db2.gz VFOKUXPQSREMRX-ZDUSSCGKSA-N 1 0 279.311 2.273 20 10 CECDRO C[NH+]1CCN(c2ccc(/C=C\c3ccncn3)cc2)CC1 ZINC000771527164 646528408 /nfs/dbraw/zinc/52/84/08/646528408.db2.gz FTUSBYWLFQYNDQ-DJWKRKHSSA-N 1 0 280.375 2.399 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000773415171 646736043 /nfs/dbraw/zinc/73/60/43/646736043.db2.gz LVRGYMMQOUUNBW-GFCCVEGCSA-N 1 0 293.363 2.176 20 10 CECDRO CCOc1ccc(CN[C@@H]2CC[C@H](C)[NH2+]C2)c(O)c1 ZINC000863484230 646740777 /nfs/dbraw/zinc/74/07/77/646740777.db2.gz IGXFETKMYMSBMT-WCQYABFASA-N 1 0 264.369 2.021 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@H](COC)C2)cc1 ZINC000773888789 646784600 /nfs/dbraw/zinc/78/46/00/646784600.db2.gz OJMUBHAPMJHAIH-PBHICJAKSA-N 1 0 292.423 2.378 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)C[N@H+](C)C1CCC1 ZINC000863876310 646839321 /nfs/dbraw/zinc/83/93/21/646839321.db2.gz UUIRYONKPXSFRU-UHFFFAOYSA-N 1 0 289.423 2.162 20 10 CECDRO COCC[C@@]1([NH2+]Cc2ccc(N(C)C)c(F)c2)CCOC1 ZINC000775032180 646917858 /nfs/dbraw/zinc/91/78/58/646917858.db2.gz FXTUAKNQFCWYJL-MRXNPFEDSA-N 1 0 296.386 2.177 20 10 CECDRO CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775403609 646950411 /nfs/dbraw/zinc/95/04/11/646950411.db2.gz JNOSSVSHMBUKOR-ZDUSSCGKSA-N 1 0 277.412 2.272 20 10 CECDRO CC[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(Cl)ccc1O ZINC000775522915 646962571 /nfs/dbraw/zinc/96/25/71/646962571.db2.gz BQDGEZGNEGPESF-OCCSQVGLSA-N 1 0 285.771 2.238 20 10 CECDRO COc1ccc(O)c(CN2CCC[N@@H+](C(C)C)CC2)c1 ZINC000775637239 646974745 /nfs/dbraw/zinc/97/47/45/646974745.db2.gz LVKZHGQPSYEANB-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO Cc1cc(Br)cc(CN2CC[NH2+][C@H](C)C2)c1O ZINC000775638872 646975402 /nfs/dbraw/zinc/97/54/02/646975402.db2.gz JVLRZSFXNVAANN-SNVBAGLBSA-N 1 0 299.212 2.257 20 10 CECDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)CS(C)(=O)=O ZINC000775826778 646996765 /nfs/dbraw/zinc/99/67/65/646996765.db2.gz HHGFFQWYLAHMLU-STQMWFEESA-N 1 0 298.452 2.084 20 10 CECDRO C[C@H]1C[C@H]1NC(=[NH2+])NCc1ccc2c(c1)CCCN2C ZINC000864457814 647012117 /nfs/dbraw/zinc/01/21/17/647012117.db2.gz UZCSHDRFYJGLAO-SMDDNHRTSA-N 1 0 272.396 2.091 20 10 CECDRO CC(C)N1C(=O)C[N@H+](Cc2ccccc2O)CC1(C)C ZINC000779018859 647282639 /nfs/dbraw/zinc/28/26/39/647282639.db2.gz IDIUSDANCWTUGK-UHFFFAOYSA-N 1 0 276.380 2.223 20 10 CECDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(F)ccc1O ZINC000779088636 647286175 /nfs/dbraw/zinc/28/61/75/647286175.db2.gz SPIJDKVWCPCRTD-GXFFZTMASA-N 1 0 255.333 2.418 20 10 CECDRO C[C@H](CCn1cccn1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000779399139 647319078 /nfs/dbraw/zinc/31/90/78/647319078.db2.gz HJIMGHFOYNCJRZ-CYBMUJFWSA-N 1 0 271.364 2.386 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)C(F)(F)F ZINC000865711616 647434138 /nfs/dbraw/zinc/43/41/38/647434138.db2.gz PKGWFZRXYPBRAZ-PRHODGIISA-N 1 0 275.270 2.023 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)C[C@@H](C)O)c1 ZINC000865871769 647514493 /nfs/dbraw/zinc/51/44/93/647514493.db2.gz GGWJAIMALUIGHQ-YPMHNXCESA-N 1 0 267.369 2.430 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)C[C@@H](C)O)c(O)c1 ZINC000782977133 647667670 /nfs/dbraw/zinc/66/76/70/647667670.db2.gz BYRIHBZSDVLKOB-GHMZBOCLSA-N 1 0 253.342 2.040 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccccc1O ZINC000783502611 647722550 /nfs/dbraw/zinc/72/25/50/647722550.db2.gz NRJXZCMQABJGEF-LBPRGKRZSA-N 1 0 295.346 2.219 20 10 CECDRO C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccccc1O ZINC000866437576 647786781 /nfs/dbraw/zinc/78/67/81/647786781.db2.gz KBNAUYRRHCBDKD-GFCCVEGCSA-N 1 0 295.379 2.401 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@@H](O)C(F)(F)F ZINC000866463182 647795939 /nfs/dbraw/zinc/79/59/39/647795939.db2.gz KQJQQKOABFKFSC-MVKOHCKWSA-N 1 0 281.249 2.494 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCNC2=O)c2c1c(F)ccc2O ZINC000840826181 647886860 /nfs/dbraw/zinc/88/68/60/647886860.db2.gz RYEILTMQNIMCPC-SCVCMEIPSA-N 1 0 292.354 2.195 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)[C@H]1C ZINC000787243386 648090281 /nfs/dbraw/zinc/09/02/81/648090281.db2.gz WJXUJEUAIYUQSH-WCQYABFASA-N 1 0 293.363 2.093 20 10 CECDRO C[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccccc1O ZINC000868367156 648109678 /nfs/dbraw/zinc/10/96/78/648109678.db2.gz GBXPGMGWTPCFKF-QWHCGFSZSA-N 1 0 291.395 2.094 20 10 CECDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788590759 648204496 /nfs/dbraw/zinc/20/44/96/648204496.db2.gz GOOFDMAMBOOOLE-KPZWWZAWSA-N 1 0 269.410 2.428 20 10 CECDRO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000788582278 648204943 /nfs/dbraw/zinc/20/49/43/648204943.db2.gz FRQMCTJCCKXHDG-ZDUSSCGKSA-N 1 0 291.374 2.052 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)COCC2CC2)c(O)c1 ZINC000788584286 648204958 /nfs/dbraw/zinc/20/49/58/648204958.db2.gz NIFVZRJSEJXWJR-ZFWWWQNUSA-N 1 0 293.407 2.447 20 10 CECDRO CCn1ncnc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788803784 648224997 /nfs/dbraw/zinc/22/49/97/648224997.db2.gz HJZABWWXOYKGPV-GFCCVEGCSA-N 1 0 274.368 2.471 20 10 CECDRO CCn1ncnc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788803798 648225156 /nfs/dbraw/zinc/22/51/56/648225156.db2.gz HJZABWWXOYKGPV-LBPRGKRZSA-N 1 0 274.368 2.471 20 10 CECDRO C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1O ZINC000868750606 648250334 /nfs/dbraw/zinc/25/03/34/648250334.db2.gz RZDBXCKIVPBUGC-RWMBFGLXSA-N 1 0 291.395 2.093 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@]2(C)CO)c1 ZINC000789558600 648317049 /nfs/dbraw/zinc/31/70/49/648317049.db2.gz ZTYBSLUEPUHDGU-OAHLLOKOSA-N 1 0 265.353 2.138 20 10 CECDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790976682 648467062 /nfs/dbraw/zinc/46/70/62/648467062.db2.gz LAXOSGXQYXKYGR-DCXZOGHSSA-N 1 0 293.791 2.431 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)C(F)(F)F)c1O ZINC000792193475 648623300 /nfs/dbraw/zinc/62/33/00/648623300.db2.gz VDSCIHRTKPZOFY-SECBINFHSA-N 1 0 283.677 2.367 20 10 CECDRO CC(C)(CNC(=O)C1=CC(=O)CS1)C[NH+]1CCCC1 ZINC000792520533 648649694 /nfs/dbraw/zinc/64/96/94/648649694.db2.gz DMADBTDUJHWCSI-UHFFFAOYSA-N 1 0 282.409 2.306 20 10 CECDRO COc1ccc(N(C)CC23CC(C2)C[NH2+]3)cc1F ZINC000873209061 649591020 /nfs/dbraw/zinc/59/10/20/649591020.db2.gz IBCZTWGSVTWMRP-UHFFFAOYSA-N 1 0 250.317 2.023 20 10 CECDRO CCOc1cccc(CN[C@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230016 649601460 /nfs/dbraw/zinc/60/14/60/649601460.db2.gz KWGDYYVHESDAQA-HOCLYGCPSA-N 1 0 276.380 2.165 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000020208529 649739694 /nfs/dbraw/zinc/73/96/94/649739694.db2.gz IEBBKHYDBSJTRF-PBHICJAKSA-N 1 0 290.407 2.180 20 10 CECDRO C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C)[NH2+]1 ZINC000125064333 649788897 /nfs/dbraw/zinc/78/88/97/649788897.db2.gz XZEFIMLYNCMWGW-AOOOYVTPSA-N 1 0 254.761 2.228 20 10 CECDRO COc1ccc(N(C)CC[N@@H+](C)C[C@H]2C[C@@H](OC)C2)cc1 ZINC000878805590 651189365 /nfs/dbraw/zinc/18/93/65/651189365.db2.gz QTAXMIVIUCODRR-KDYLLFBJSA-N 1 0 292.423 2.488 20 10 CECDRO C[C@@H]([NH2+]CCC1OCCCO1)c1ccccc1O ZINC000879648160 651334984 /nfs/dbraw/zinc/33/49/84/651334984.db2.gz ANHYQPLXKUSXSY-LLVKDONJSA-N 1 0 251.326 2.196 20 10 CECDRO Cc1cccnc1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879649693 651335300 /nfs/dbraw/zinc/33/53/00/651335300.db2.gz BZJFRPOPPNZWIS-LBPRGKRZSA-N 1 0 285.347 2.385 20 10 CECDRO CC(C)OCC[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879650686 651335575 /nfs/dbraw/zinc/33/55/75/651335575.db2.gz NESDVBVVCLJNJQ-STQMWFEESA-N 1 0 267.369 2.219 20 10 CECDRO Cc1csc(=O)n1CC[NH2+][C@@H](C)c1ccccc1O ZINC000879650560 651335786 /nfs/dbraw/zinc/33/57/86/651335786.db2.gz HFLCFMXWBGPTPR-NSHDSACASA-N 1 0 278.377 2.275 20 10 CECDRO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)on1 ZINC000879651945 651336087 /nfs/dbraw/zinc/33/60/87/651336087.db2.gz QILPLDACNGOXCK-WDEREUQCSA-N 1 0 289.335 2.366 20 10 CECDRO CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000130854466 652348884 /nfs/dbraw/zinc/34/88/84/652348884.db2.gz XBMODZUKVDQZFR-XIKOKIGWSA-N 1 0 268.426 2.172 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1CCCOC1 ZINC000883352421 652438695 /nfs/dbraw/zinc/43/86/95/652438695.db2.gz AMWLMRLRSBAQMQ-WCQYABFASA-N 1 0 293.363 2.416 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c1[O-] ZINC000883442915 652472120 /nfs/dbraw/zinc/47/21/20/652472120.db2.gz VWHJRZDGMIUNNC-STQMWFEESA-N 1 0 296.798 2.464 20 10 CECDRO COC[C@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000131904178 652479950 /nfs/dbraw/zinc/47/99/50/652479950.db2.gz VQXGDXOPMRYJID-CYBMUJFWSA-N 1 0 250.386 2.467 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000133389822 652624132 /nfs/dbraw/zinc/62/41/32/652624132.db2.gz LVDYHQLETMMSCG-CQSZACIVSA-N 1 0 266.385 2.206 20 10 CECDRO CCO[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000133650241 652698684 /nfs/dbraw/zinc/69/86/84/652698684.db2.gz CWORGWWPTNVVJW-AWEZNQCLSA-N 1 0 265.353 2.402 20 10 CECDRO CC(C)(C)NC(=O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000134591805 652857804 /nfs/dbraw/zinc/85/78/04/652857804.db2.gz NNVIBLWPZUNCHM-UHFFFAOYSA-N 1 0 284.787 2.440 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204782781 805955595 /nfs/dbraw/zinc/95/55/95/805955595.db2.gz IYOUBNBEYPWPJJ-MRXNPFEDSA-N 1 0 277.412 2.162 20 10 CECDRO C[NH+]1CCN(c2ccc(CNc3ccc(N)nc3)cc2)CC1 ZINC001167434757 802812650 /nfs/dbraw/zinc/81/26/50/802812650.db2.gz WEGHVQITUCHZAZ-UHFFFAOYSA-N 1 0 297.406 2.028 20 10 CECDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1c(O)cccc1Br ZINC000706852059 802843130 /nfs/dbraw/zinc/84/31/30/802843130.db2.gz KEBJUEVEQMCORL-LDYMZIIASA-N 1 0 285.185 2.076 20 10 CECDRO CCc1cccc(C[NH2+]CC(=O)NCc2ccccc2)c1O ZINC000691438645 811766837 /nfs/dbraw/zinc/76/68/37/811766837.db2.gz QNVZVEDUTPNHDQ-UHFFFAOYSA-N 1 0 298.386 2.361 20 10 CECDRO CN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466497 802958959 /nfs/dbraw/zinc/95/89/59/802958959.db2.gz HNUKKEWYPCNHOI-GFCCVEGCSA-N 1 0 296.798 2.346 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000690727117 803032259 /nfs/dbraw/zinc/03/22/59/803032259.db2.gz PBIWEXKANGCGRH-NSHDSACASA-N 1 0 261.243 2.045 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)cc1 ZINC000690732040 803079172 /nfs/dbraw/zinc/07/91/72/803079172.db2.gz NSMHWVRLONBUEF-CYBMUJFWSA-N 1 0 270.323 2.266 20 10 CECDRO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccccc1O ZINC000724348305 803088550 /nfs/dbraw/zinc/08/85/50/803088550.db2.gz ZTWIEYJCBRQHBZ-WODVXLOZSA-N 1 0 295.404 2.151 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c(O)c1 ZINC000724604305 803194683 /nfs/dbraw/zinc/19/46/83/803194683.db2.gz OBEDGZXCYNKNIH-VLXAULBPSA-N 1 0 277.364 2.155 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724917391 803347441 /nfs/dbraw/zinc/34/74/41/803347441.db2.gz GRUSNDLAKAMHKA-YXMLORGKSA-N 1 0 298.180 2.158 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1O ZINC000690799648 803617377 /nfs/dbraw/zinc/61/73/77/803617377.db2.gz RNVXJPSXECBTCK-KBPBESRZSA-N 1 0 277.364 2.259 20 10 CECDRO Cc1n[nH]c(=O)c(C[NH2+][C@H]2CCc3cccc(O)c32)c1C ZINC001117831009 814957909 /nfs/dbraw/zinc/95/79/09/814957909.db2.gz JVIDMKSUHZQDBI-ZDUSSCGKSA-N 1 0 285.347 2.282 20 10 CECDRO CCCCC[C@H]([NH2+]C)C(=O)NCc1ccccc1O ZINC001219923158 803684359 /nfs/dbraw/zinc/68/43/59/803684359.db2.gz DOLJNOXNMTZTDW-ZDUSSCGKSA-N 1 0 264.369 2.177 20 10 CECDRO Cc1cc(C)c(O)c(C[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000125558569 804111111 /nfs/dbraw/zinc/11/11/11/804111111.db2.gz YIVPRFUDJOEDIO-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO CC(C)C[NH2+]CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001118218240 814994657 /nfs/dbraw/zinc/99/46/57/814994657.db2.gz DQSSCHZZBOXMBS-UHFFFAOYSA-N 1 0 289.423 2.149 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CC1SCCS1)OCO2 ZINC000692849791 804189657 /nfs/dbraw/zinc/18/96/57/804189657.db2.gz DXEQCCMUOAFJMK-UHFFFAOYSA-N 1 0 285.390 2.017 20 10 CECDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1=O ZINC000722355843 804352779 /nfs/dbraw/zinc/35/27/79/804352779.db2.gz HFARTLFKRFEZTR-ZWNOBZJWSA-N 1 0 280.343 2.193 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1 ZINC000037152784 815018098 /nfs/dbraw/zinc/01/80/98/815018098.db2.gz YCLKKUFWVDDMNP-PNESKVBLSA-N 1 0 276.380 2.395 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C2(CO)CC2)c1 ZINC000696063730 807131602 /nfs/dbraw/zinc/13/16/02/807131602.db2.gz PDHNDDBKTYQRIL-WDEREUQCSA-N 1 0 265.353 2.212 20 10 CECDRO CC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232263110 807238935 /nfs/dbraw/zinc/23/89/35/807238935.db2.gz HGLWXTFWAOLLJW-SECBINFHSA-N 1 0 269.728 2.162 20 10 CECDRO CC[N@H+](Cc1cnn(C)c1)Cc1cc(C)cc(OC)c1O ZINC001119446021 815113977 /nfs/dbraw/zinc/11/39/77/815113977.db2.gz PKIQVRSIYFQUDG-UHFFFAOYSA-N 1 0 289.379 2.465 20 10 CECDRO CN1CC[C@@]2(CCC[N@@H+]2Cc2cc(Cl)ccc2O)C1=O ZINC001272638791 807844323 /nfs/dbraw/zinc/84/43/23/807844323.db2.gz UYWOFHRPCZDRRZ-HNNXBMFYSA-N 1 0 294.782 2.242 20 10 CECDRO CC(C)C[C@H]1CN(Cc2cc(F)c(F)cc2O)CC[NH2+]1 ZINC001235881713 807868369 /nfs/dbraw/zinc/86/83/69/807868369.db2.gz PWIQRCMSFGYXIU-LBPRGKRZSA-N 1 0 284.350 2.490 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2COC[C@@H]2C)c1O ZINC000699846503 807877198 /nfs/dbraw/zinc/87/71/98/807877198.db2.gz IQEGEMYVMBSZSY-GZMMTYOYSA-N 1 0 271.744 2.179 20 10 CECDRO CCN(CC)c1ccc(CN2CC([NH3+])(CC)C2)c(OC)c1 ZINC001236185383 808008317 /nfs/dbraw/zinc/00/83/17/808008317.db2.gz IOJIFBUSGXJMDT-UHFFFAOYSA-N 1 0 291.439 2.465 20 10 CECDRO COc1ccc(C[NH2+]CC=C(C)C)c(O)c1OC ZINC001120040909 815191758 /nfs/dbraw/zinc/19/17/58/815191758.db2.gz SGYDYCLRAXRIDW-UHFFFAOYSA-N 1 0 251.326 2.465 20 10 CECDRO c1cc2c(cc1C[NH2+][C@H]1CCCC13OCCO3)CCCO2 ZINC000922256883 809088294 /nfs/dbraw/zinc/08/82/94/809088294.db2.gz BJPNNBGFPCMMGF-INIZCTEOSA-N 1 0 289.375 2.397 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CC1CC2(C1)OCCO2 ZINC000922797378 809184690 /nfs/dbraw/zinc/18/46/90/809184690.db2.gz DYSZAXMEHHOOKD-UHFFFAOYSA-N 1 0 283.755 2.288 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2CCOCC1CC1 ZINC000700945171 809371620 /nfs/dbraw/zinc/37/16/20/809371620.db2.gz RJZKPNLCJYBFPF-UHFFFAOYSA-N 1 0 260.381 2.325 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@H]2SC)c1 ZINC000701991717 809483170 /nfs/dbraw/zinc/48/31/70/809483170.db2.gz FBPCCXLDXIKABV-WCQYABFASA-N 1 0 253.367 2.384 20 10 CECDRO CCOc1cccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206157180 815298516 /nfs/dbraw/zinc/29/85/16/815298516.db2.gz XATYWGWDJQKBJK-OLZOCXBDSA-N 1 0 282.359 2.052 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(CO)OC)cc1 ZINC000702527546 809564132 /nfs/dbraw/zinc/56/41/32/809564132.db2.gz JVQDJEYMHMZLMJ-MRXNPFEDSA-N 1 0 280.412 2.020 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1O ZINC001172158001 815323900 /nfs/dbraw/zinc/32/39/00/815323900.db2.gz BIDDXRQBMDGASI-FRRDWIJNSA-N 1 0 274.364 2.196 20 10 CECDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706805241 809854461 /nfs/dbraw/zinc/85/44/61/809854461.db2.gz TXSTZJIDCJATPI-KCJUWKMLSA-N 1 0 286.169 2.279 20 10 CECDRO Cc1n[nH]cc1C[NH2+]Cc1c(O)cccc1Br ZINC000706818683 809855395 /nfs/dbraw/zinc/85/53/95/809855395.db2.gz RICFQWAKCLKZJP-UHFFFAOYSA-N 1 0 296.168 2.476 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CO1 ZINC000706835616 809856837 /nfs/dbraw/zinc/85/68/37/809856837.db2.gz CEMZIDMGYNCVSM-RKDXNWHRSA-N 1 0 286.169 2.422 20 10 CECDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Br)N(C)C ZINC000706863383 809858717 /nfs/dbraw/zinc/85/87/17/809858717.db2.gz FLLVJHCJAPKAAA-VIFPVBQESA-N 1 0 287.201 2.194 20 10 CECDRO CCc1cccc(CN2CC[NH+](C(C)C)CC2)c1O ZINC000709289176 809959376 /nfs/dbraw/zinc/95/93/76/809959376.db2.gz IJNNCROIFCSUFO-UHFFFAOYSA-N 1 0 262.397 2.481 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCC(C)(C)OC)c1 ZINC000711883950 810104131 /nfs/dbraw/zinc/10/41/31/810104131.db2.gz LBXFZBOQVKRHTQ-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO CCOc1cccc(C[NH2+][C@@]2(CC)CCOC2)c1O ZINC000378775918 810671655 /nfs/dbraw/zinc/67/16/55/810671655.db2.gz NBCDICAQZYQENQ-HNNXBMFYSA-N 1 0 265.353 2.450 20 10 CECDRO CCOCC(C)(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000379113680 810686547 /nfs/dbraw/zinc/68/65/47/810686547.db2.gz KVGKYUMVNMDNAS-UHFFFAOYSA-N 1 0 292.423 2.428 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)[C@H]2CCCCO2)c1O ZINC000379238197 810689186 /nfs/dbraw/zinc/68/91/86/810689186.db2.gz UPQMCZCBJOEORJ-DGCLKSJQSA-N 1 0 265.353 2.448 20 10 CECDRO C[C@@H](NC(=O)C1(C2CC[NH2+]CC2)CC1)c1ccccc1O ZINC001122192394 815391305 /nfs/dbraw/zinc/39/13/05/815391305.db2.gz SLDPOMAPAZXSRC-GFCCVEGCSA-N 1 0 288.391 2.349 20 10 CECDRO CC(C)OCC[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172435460 815412242 /nfs/dbraw/zinc/41/22/42/815412242.db2.gz DJZZPGHVSQMXJO-GFCCVEGCSA-N 1 0 267.369 2.434 20 10 CECDRO CC(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001169511545 811546326 /nfs/dbraw/zinc/54/63/26/811546326.db2.gz WPAFWWAGMIGVPH-INIZCTEOSA-N 1 0 284.359 2.256 20 10 CECDRO CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC001169580919 811588315 /nfs/dbraw/zinc/58/83/15/811588315.db2.gz ZZWPPQWLTCLDSK-YPMHNXCESA-N 1 0 262.353 2.054 20 10 CECDRO C[C@@H](NCc1ccc(N(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000386111700 813152791 /nfs/dbraw/zinc/15/27/91/813152791.db2.gz LOBGNYIJJXMDJT-CZUORRHYSA-N 1 0 261.413 2.373 20 10 CECDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000386248199 813161641 /nfs/dbraw/zinc/16/16/41/813161641.db2.gz IUGXPYFKSCWXTH-NHYWBVRUSA-N 1 0 295.354 2.327 20 10 CECDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc2ccccc2c1O ZINC000386973547 813197000 /nfs/dbraw/zinc/19/70/00/813197000.db2.gz RDFTXUIWGBPXIL-AAEUAGOBSA-N 1 0 284.359 2.427 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCCOC1 ZINC000388733966 813243113 /nfs/dbraw/zinc/24/31/13/813243113.db2.gz CGYHEYBMXXXAJW-GHMZBOCLSA-N 1 0 253.317 2.436 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc[nH]c(=O)c2)c1 ZINC000392691238 813306973 /nfs/dbraw/zinc/30/69/73/813306973.db2.gz QMDYGCMMGONMHS-JTQLQIEISA-N 1 0 274.320 2.352 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H](CO)C(C)C)c1O ZINC000394049346 813334587 /nfs/dbraw/zinc/33/45/87/813334587.db2.gz YXDOROVTSGJDFI-CYBMUJFWSA-N 1 0 267.369 2.145 20 10 CECDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000394073297 813336278 /nfs/dbraw/zinc/33/62/78/813336278.db2.gz RTLVYMFYGKOFGO-MNOVXSKESA-N 1 0 255.333 2.446 20 10 CECDRO CC1(C)C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CO1 ZINC000396581141 813575526 /nfs/dbraw/zinc/57/55/26/813575526.db2.gz HZKBYCXAFJHDNT-HNNXBMFYSA-N 1 0 290.407 2.180 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCc3c(O)cccc3C2)c(O)c1 ZINC001144499446 814090064 /nfs/dbraw/zinc/09/00/64/814090064.db2.gz GNJZDAFMOQSLOZ-UHFFFAOYSA-N 1 0 287.315 2.067 20 10 CECDRO Oc1cc(O)c(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(O)c1 ZINC001144500608 814091144 /nfs/dbraw/zinc/09/11/44/814091144.db2.gz WPGDUVMVCHQCTA-QWRGUYRKSA-N 1 0 263.337 2.425 20 10 CECDRO CCC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144504069 814092909 /nfs/dbraw/zinc/09/29/09/814092909.db2.gz KPGOACMPXABPEO-UHFFFAOYSA-N 1 0 251.326 2.425 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)[C@H]1C ZINC001144509120 814096940 /nfs/dbraw/zinc/09/69/40/814096940.db2.gz LJMQNVHCAHUDHI-UWVGGRQHSA-N 1 0 251.326 2.424 20 10 CECDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144509121 814098734 /nfs/dbraw/zinc/09/87/34/814098734.db2.gz LJMQNVHCAHUDHI-VHSXEESVSA-N 1 0 251.326 2.424 20 10 CECDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000712571656 814767070 /nfs/dbraw/zinc/76/70/70/814767070.db2.gz KPWIXYHJCGGUDQ-VXGBXAGGSA-N 1 0 264.369 2.146 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001116444084 814853654 /nfs/dbraw/zinc/85/36/54/814853654.db2.gz QDYJVIYBEUIIAG-DOMZBBRYSA-N 1 0 277.364 2.402 20 10 CECDRO CN1CCN(c2ccc(C[N@H+]3CC=CCC3)cc2F)CC1 ZINC001116506810 814858757 /nfs/dbraw/zinc/85/87/57/814858757.db2.gz HOXWTBVYUASZIH-UHFFFAOYSA-N 1 0 289.398 2.339 20 10 CECDRO C[N@@H+]1CCC[C@@H]2CN(Cc3c(O)cccc3F)C[C@@H]21 ZINC001137840243 815696038 /nfs/dbraw/zinc/69/60/38/815696038.db2.gz UKTRTTVWNATNAY-RISCZKNCSA-N 1 0 264.344 2.057 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CCC[C@H]1O ZINC001138123712 815731378 /nfs/dbraw/zinc/73/13/78/815731378.db2.gz ILYQKPFYZPBJSU-ZWNOBZJWSA-N 1 0 253.317 2.124 20 10 CECDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@H](F)C2)c(O)c1 ZINC001249201136 815739083 /nfs/dbraw/zinc/73/90/83/815739083.db2.gz GVSOIRZAZSUSQQ-ZDUSSCGKSA-N 1 0 281.327 2.042 20 10 CECDRO OCC1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219831 815750665 /nfs/dbraw/zinc/75/06/65/815750665.db2.gz PQLPNQCWCOTCFB-UHFFFAOYSA-N 1 0 260.381 2.101 20 10 CECDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356423 815774268 /nfs/dbraw/zinc/77/42/68/815774268.db2.gz NXUBSDAKCPCXCJ-BBRMVZONSA-N 1 0 274.408 2.414 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CC[C@]34CCOC4)ccc21 ZINC001138358986 815774831 /nfs/dbraw/zinc/77/48/31/815774831.db2.gz GFIREDUIGOUUEW-QGZVFWFLSA-N 1 0 272.392 2.434 20 10 CECDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354834 815775533 /nfs/dbraw/zinc/77/55/33/815775533.db2.gz WLJDZMUYBDSXBC-CJNGLKHVSA-N 1 0 274.408 2.272 20 10 CECDRO C[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)CC[N@@H+]1C ZINC001138356135 815775544 /nfs/dbraw/zinc/77/55/44/815775544.db2.gz IJEAINDZROOWJM-CQSZACIVSA-N 1 0 273.424 2.205 20 10 CECDRO C[NH+](C)Cc1ccccc1N(CCO)c1ccc(N)cc1 ZINC001173930139 815863494 /nfs/dbraw/zinc/86/34/94/815863494.db2.gz RWRJKYXKOQANIV-UHFFFAOYSA-N 1 0 285.391 2.461 20 10 CECDRO CC[N@@H+]1CCCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139685638 816075361 /nfs/dbraw/zinc/07/53/61/816075361.db2.gz RBBTZQSSJGVWKK-UHFFFAOYSA-N 1 0 270.323 2.198 20 10 CECDRO Cc1cc(C[NH+]2CCC(n3cnnc3)CC2)ccc1N(C)C ZINC001139673594 816077638 /nfs/dbraw/zinc/07/76/38/816077638.db2.gz VJPHWIDQEIGOBA-UHFFFAOYSA-N 1 0 299.422 2.490 20 10 CECDRO CC[N@H+](Cc1cn2ccncc2n1)Cc1ccccc1O ZINC001139699411 816089170 /nfs/dbraw/zinc/08/91/70/816089170.db2.gz XOWQHDGMSSPEPV-UHFFFAOYSA-N 1 0 282.347 2.457 20 10 CECDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055139 816179025 /nfs/dbraw/zinc/17/90/25/816179025.db2.gz LDIBWPCDAMSINB-JQWIXIFHSA-N 1 0 281.327 2.162 20 10 CECDRO Oc1cccc(Br)c1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001140102780 816191089 /nfs/dbraw/zinc/19/10/89/816191089.db2.gz ZGFNIXHBXQCVPJ-JTQLQIEISA-N 1 0 297.196 2.045 20 10 CECDRO C[C@@H]1CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140282908 816226121 /nfs/dbraw/zinc/22/61/21/816226121.db2.gz KGXJYFSOMNHLDD-CYBMUJFWSA-N 1 0 260.381 2.242 20 10 CECDRO CC[NH+]1C[C@@H]2CN(Cc3c(O)cccc3Cl)C[C@H]2C1 ZINC001140342573 816238197 /nfs/dbraw/zinc/23/81/97/816238197.db2.gz PPSBTMVCOXYMST-VXGBXAGGSA-N 1 0 280.799 2.429 20 10 CECDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140342325 816238304 /nfs/dbraw/zinc/23/83/04/816238304.db2.gz DEZQQMJCLHKMII-LBPRGKRZSA-N 1 0 282.771 2.146 20 10 CECDRO Oc1cc(Cl)ccc1C[NH+]1CC2(CC(O)C2)C1 ZINC001140461396 816260671 /nfs/dbraw/zinc/26/06/71/816260671.db2.gz KUCVFLXYDSIMOY-UHFFFAOYSA-N 1 0 253.729 2.002 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c1 ZINC001140623678 816306624 /nfs/dbraw/zinc/30/66/24/816306624.db2.gz PJGVTCWCKJZSRA-UHFFFAOYSA-N 1 0 288.391 2.145 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(N3CC(F)C3)CC2)c1 ZINC001140622590 816307214 /nfs/dbraw/zinc/30/72/14/816307214.db2.gz BGTRKYFAKMBWFM-UHFFFAOYSA-N 1 0 278.371 2.319 20 10 CECDRO COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc(C)ccc1O ZINC001140623946 816307255 /nfs/dbraw/zinc/30/72/55/816307255.db2.gz YEYOWZXXDYBOQJ-AWEZNQCLSA-N 1 0 265.353 2.330 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1O ZINC001140744361 816339691 /nfs/dbraw/zinc/33/96/91/816339691.db2.gz UUYQJRWRXQXSMS-SWLSCSKDSA-N 1 0 277.364 2.407 20 10 CECDRO Cc1c(O)ccc(CN2CC[NH+](C3CCCC3)CC2)c1O ZINC001140746002 816341533 /nfs/dbraw/zinc/34/15/33/816341533.db2.gz SBBCOSWSSQLTDN-UHFFFAOYSA-N 1 0 290.407 2.466 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CC3(C2)CCOCC3)c1O ZINC001140745341 816341652 /nfs/dbraw/zinc/34/16/52/816341652.db2.gz GILZUOOHYRQWSI-UHFFFAOYSA-N 1 0 263.337 2.019 20 10 CECDRO CCO[C@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140745591 816342095 /nfs/dbraw/zinc/34/20/95/816342095.db2.gz LYTRYRJJABFKOG-ZDUSSCGKSA-N 1 0 265.353 2.407 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(O)c1 ZINC001140850070 816383088 /nfs/dbraw/zinc/38/30/88/816383088.db2.gz CHQZWSWLAALAJP-HOCLYGCPSA-N 1 0 296.386 2.143 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)c(OC)c1 ZINC001141031719 816450389 /nfs/dbraw/zinc/45/03/89/816450389.db2.gz ITFIEMNSPIJUTD-NEPJUHHUSA-N 1 0 295.379 2.002 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c(OC)c1 ZINC001141031782 816453049 /nfs/dbraw/zinc/45/30/49/816453049.db2.gz LERYHDFCEUCSDV-SKDRFNHKSA-N 1 0 269.316 2.199 20 10 CECDRO CC[NH+](CC)CCN(C)Cc1c(O)cc(OC)cc1OC ZINC001141032121 816453191 /nfs/dbraw/zinc/45/31/91/816453191.db2.gz TWOCKDDRXXJADD-UHFFFAOYSA-N 1 0 296.411 2.183 20 10 CECDRO C[C@]1(O)CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074979 816469105 /nfs/dbraw/zinc/46/91/05/816469105.db2.gz GPGKDADWONXEEK-SFHVURJKSA-N 1 0 286.419 2.342 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H]3C(C)(C)O)ccc21 ZINC001141145315 816485615 /nfs/dbraw/zinc/48/56/15/816485615.db2.gz TXYXVRKABJYLGV-MRXNPFEDSA-N 1 0 290.407 2.251 20 10 CECDRO CCCO[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159035 816490912 /nfs/dbraw/zinc/49/09/12/816490912.db2.gz WUWNTHNVIHYJON-ZDUSSCGKSA-N 1 0 251.326 2.099 20 10 CECDRO Oc1ccc(O)c(C[NH+]2CCC(n3cccn3)CC2)c1 ZINC001141160964 816491274 /nfs/dbraw/zinc/49/12/74/816491274.db2.gz LBVTZRRADVNISJ-UHFFFAOYSA-N 1 0 273.336 2.131 20 10 CECDRO CC(C)(C)[NH+]1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141160414 816492441 /nfs/dbraw/zinc/49/24/41/816492441.db2.gz XTWPYTWJMWWFDA-UHFFFAOYSA-N 1 0 264.369 2.014 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1F ZINC001177548872 816582494 /nfs/dbraw/zinc/58/24/94/816582494.db2.gz VLCAATFQSNDRKM-ZDUSSCGKSA-N 1 0 266.360 2.408 20 10 CECDRO Cc1cc(C)c(CNC(=O)[C@H]2CC3CC[NH+]2CC3)c(O)c1 ZINC001142637847 816698663 /nfs/dbraw/zinc/69/86/63/816698663.db2.gz RVDCBSCUXQZVFI-OAHLLOKOSA-N 1 0 288.391 2.110 20 10 CECDRO CN1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143102100 816785332 /nfs/dbraw/zinc/78/53/32/816785332.db2.gz YEBXMCVKUCBPJF-UHFFFAOYSA-N 1 0 262.397 2.437 20 10 CECDRO CC(=O)[C@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCO1 ZINC001143116797 816787683 /nfs/dbraw/zinc/78/76/83/816787683.db2.gz KYMVMCNEWDZKEV-OAHLLOKOSA-N 1 0 291.391 2.480 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@](F)(C[NH3+])C2)c1 ZINC001206351655 816803916 /nfs/dbraw/zinc/80/39/16/816803916.db2.gz HKHXULCKZCTCCJ-HNNXBMFYSA-N 1 0 266.360 2.354 20 10 CECDRO Cc1cc(F)cc(CN2CCCC[C@](F)(C[NH3+])C2)c1O ZINC001206371698 816839491 /nfs/dbraw/zinc/83/94/91/816839491.db2.gz UYWLBVNTFAYNKA-HNNXBMFYSA-N 1 0 284.350 2.493 20 10 CECDRO CC(C)N(C(=O)/C=C/c1ccc(O)c(O)c1)C(C)(C)C[NH3+] ZINC001179690318 816889634 /nfs/dbraw/zinc/88/96/34/816889634.db2.gz JOOCIXKBFBNNBG-SOFGYWHQSA-N 1 0 292.379 2.085 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccccc1O ZINC000037782036 361936244 /nfs/dbraw/zinc/93/62/44/361936244.db2.gz IWVFYIFRMQJMNZ-NWDGAFQWSA-N 1 0 262.353 2.054 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCSC[C@H]2C)cc1OC ZINC000179444574 344504900 /nfs/dbraw/zinc/50/49/00/344504900.db2.gz OAIMJDFKQQEHHY-SNVBAGLBSA-N 1 0 283.393 2.347 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C2(COC)CCC2)c1 ZINC000283798941 344677662 /nfs/dbraw/zinc/67/76/62/344677662.db2.gz AGAYBAPTAOWBNG-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000077204365 363545821 /nfs/dbraw/zinc/54/58/21/363545821.db2.gz XJVRFIPPMPHEIT-ZBFHGGJFSA-N 1 0 262.397 2.393 20 10 CECDRO CC[C@](C)(CCO)[NH2+]Cc1cccc(OC)c1O ZINC000134472330 366327145 /nfs/dbraw/zinc/32/71/45/366327145.db2.gz KEWAWMANRDEGQS-CQSZACIVSA-N 1 0 253.342 2.042 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N(C)C ZINC000076073963 283297506 /nfs/dbraw/zinc/29/75/06/283297506.db2.gz SVOVDMBZBNUGOV-GFCCVEGCSA-N 1 0 264.369 2.081 20 10 CECDRO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000017318067 361508676 /nfs/dbraw/zinc/50/86/76/361508676.db2.gz KGPBOLFAXJGLLQ-UHFFFAOYSA-N 1 0 272.396 2.393 20 10 CECDRO CCOc1cccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1O ZINC000156080799 366827058 /nfs/dbraw/zinc/82/70/58/366827058.db2.gz UQHCVLNXZKGYIT-OAHLLOKOSA-N 1 0 290.407 2.461 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)c(O)c1 ZINC000020120756 361582312 /nfs/dbraw/zinc/58/23/12/361582312.db2.gz FKYJOJANCMMKQG-AWEZNQCLSA-N 1 0 292.423 2.462 20 10 CECDRO CCOc1ccc(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000092757220 364104514 /nfs/dbraw/zinc/10/45/14/364104514.db2.gz FJHCNPLWAIZAPD-HNNXBMFYSA-N 1 0 290.407 2.461 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1O ZINC000160630790 367022097 /nfs/dbraw/zinc/02/20/97/367022097.db2.gz GUWGTDRJIICNKK-GFCCVEGCSA-N 1 0 265.353 2.448 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C(C)(C)[NH3+])cc1F ZINC000167740131 367342602 /nfs/dbraw/zinc/34/26/02/367342602.db2.gz NHVHGBMJLHJQCD-UHFFFAOYSA-N 1 0 281.375 2.025 20 10 CECDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000168771259 367360404 /nfs/dbraw/zinc/36/04/04/367360404.db2.gz DGXDICSGKLLZNU-WDEREUQCSA-N 1 0 253.342 2.212 20 10 CECDRO CCCCC[N@H+](CCO)Cc1cc(OC)c(OC)cc1O ZINC000179667830 368346493 /nfs/dbraw/zinc/34/64/93/368346493.db2.gz HHRBMFMABOWTMV-UHFFFAOYSA-N 1 0 297.395 2.394 20 10 CECDRO CCCCC[N@H+](CC(N)=O)Cc1cc(C)ccc1O ZINC000180805041 368396475 /nfs/dbraw/zinc/39/64/75/368396475.db2.gz ABMQEMLKVBSWND-UHFFFAOYSA-N 1 0 264.369 2.178 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000180418853 368380375 /nfs/dbraw/zinc/38/03/75/368380375.db2.gz GGNUQQWRSBZQKV-ZDUSSCGKSA-N 1 0 263.337 2.228 20 10 CECDRO Cc1noc(CC[NH2+][C@@H](C)c2cc(C)ccc2O)n1 ZINC000185972062 368895958 /nfs/dbraw/zinc/89/59/58/368895958.db2.gz IVNXMAICAYDJLY-JTQLQIEISA-N 1 0 261.325 2.285 20 10 CECDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000188906144 369427843 /nfs/dbraw/zinc/42/78/43/369427843.db2.gz YNZBOCBONNPOPV-GDBMZVCRSA-N 1 0 297.370 2.187 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c(O)c1 ZINC000189346617 369503180 /nfs/dbraw/zinc/50/31/80/369503180.db2.gz YXXVVGSRVMLFET-GJZGRUSLSA-N 1 0 279.380 2.430 20 10 CECDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)C(F)(F)F ZINC000189863860 369573212 /nfs/dbraw/zinc/57/32/12/369573212.db2.gz DICRVRBMPBDWOK-NSHDSACASA-N 1 0 263.259 2.137 20 10 CECDRO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000189994722 369586092 /nfs/dbraw/zinc/58/60/92/369586092.db2.gz MLWBWGYWPJXZJI-OAHLLOKOSA-N 1 0 263.337 2.228 20 10 CECDRO CCCN(CC[NH+](CC)CC)C(=O)c1cccc(O)c1O ZINC000193164246 369899929 /nfs/dbraw/zinc/89/99/29/369899929.db2.gz GYFGZEKWDRLCBB-UHFFFAOYSA-N 1 0 294.395 2.292 20 10 CECDRO C[N@H+]1C[C@H]2CN(Cc3cc(Cl)ccc3O)C[C@H]2C1 ZINC000194536520 370048442 /nfs/dbraw/zinc/04/84/42/370048442.db2.gz ZGGDMSBDONNTJE-TXEJJXNPSA-N 1 0 266.772 2.039 20 10 CECDRO C[C@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)c2c(O)cccc21 ZINC000638317610 370442692 /nfs/dbraw/zinc/44/26/92/370442692.db2.gz MLVJHBZSRXJFEB-CMPLNLGQSA-N 1 0 272.348 2.280 20 10 CECDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(C)ccc3O)[C@@H]2C1 ZINC000247260902 371084735 /nfs/dbraw/zinc/08/47/35/371084735.db2.gz XQNCVYVCCLLOJH-BFYDXBDKSA-N 1 0 291.391 2.469 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCSC2)cc1 ZINC000267098038 372055572 /nfs/dbraw/zinc/05/55/72/372055572.db2.gz WFCFZCHDTREBIS-INIZCTEOSA-N 1 0 294.464 2.490 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)cc1 ZINC000268899186 372278426 /nfs/dbraw/zinc/27/84/26/372278426.db2.gz ZPUMCZSUWPLJEP-TZMCWYRMSA-N 1 0 275.396 2.024 20 10 CECDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000269057619 372328698 /nfs/dbraw/zinc/32/86/98/372328698.db2.gz WYMMUZPULDSVRQ-MNOVXSKESA-N 1 0 254.349 2.405 20 10 CECDRO CC(=O)N1CC[N@H+](Cc2cc(C)c(C)cc2O)[C@H](C)C1 ZINC000271175196 373161881 /nfs/dbraw/zinc/16/18/81/373161881.db2.gz JFMFMVWWHTUXNX-CYBMUJFWSA-N 1 0 276.380 2.062 20 10 CECDRO CC(=O)NCC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000271152223 373146151 /nfs/dbraw/zinc/14/61/51/373146151.db2.gz UXJJMJZWQDTWNM-UHFFFAOYSA-N 1 0 289.423 2.101 20 10 CECDRO COCCN1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000271873089 373203913 /nfs/dbraw/zinc/20/39/13/373203913.db2.gz YJBCBYOWRJRGPJ-CQSZACIVSA-N 1 0 298.814 2.164 20 10 CECDRO COC(=O)[C@]1(F)CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000271879117 373204535 /nfs/dbraw/zinc/20/45/35/373204535.db2.gz UODSFTNXRYJYDO-ZDUSSCGKSA-N 1 0 287.718 2.133 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1F ZINC000272322538 373428776 /nfs/dbraw/zinc/42/87/76/373428776.db2.gz IRCLUYIBASXTLJ-ZIAGYGMSSA-N 1 0 266.360 2.141 20 10 CECDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3O)C2)[nH]1 ZINC000272478890 373508253 /nfs/dbraw/zinc/50/82/53/373508253.db2.gz SLURWOSCHHQNEZ-LLVKDONJSA-N 1 0 290.342 2.337 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000272513071 373526079 /nfs/dbraw/zinc/52/60/79/373526079.db2.gz XGQDJFSQQDMZLH-ZDUSSCGKSA-N 1 0 281.327 2.307 20 10 CECDRO Oc1cccc(Cl)c1CN1CCCC2(C1)OCCO2 ZINC000272717801 373627819 /nfs/dbraw/zinc/62/78/19/373627819.db2.gz DTOGHJGIMDJZQW-UHFFFAOYSA-N 1 0 283.755 2.385 20 10 CECDRO CC[N@H+](CCCO)Cc1cc(Cl)cc(OC)c1O ZINC000273791466 373770053 /nfs/dbraw/zinc/77/00/53/373770053.db2.gz VJIQBQJMDUJICO-UHFFFAOYSA-N 1 0 273.760 2.259 20 10 CECDRO COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273347918 373751959 /nfs/dbraw/zinc/75/19/59/373751959.db2.gz BBHLHQWMNUBPDS-OLZOCXBDSA-N 1 0 267.369 2.057 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)c1 ZINC000273359260 373754031 /nfs/dbraw/zinc/75/40/31/373754031.db2.gz ACUFWHADJCXYEG-NWDGAFQWSA-N 1 0 260.341 2.031 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Cl)ccc1O ZINC000273464218 373759789 /nfs/dbraw/zinc/75/97/89/373759789.db2.gz DIAOWOVZGVCLMI-OTYXRUKQSA-N 1 0 295.770 2.163 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)c1 ZINC000273556263 373764155 /nfs/dbraw/zinc/76/41/55/373764155.db2.gz GXADQPZMGDCAAN-UTUOFQBUSA-N 1 0 295.379 2.236 20 10 CECDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273581534 373764437 /nfs/dbraw/zinc/76/44/37/373764437.db2.gz MTLGGLRZRUQPDU-XJKSGUPXSA-N 1 0 281.396 2.447 20 10 CECDRO Cc1cc(C(=O)N[C@H](C)C[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000274411151 373910676 /nfs/dbraw/zinc/91/06/76/373910676.db2.gz IWRKXPVRUNVMRA-SNVBAGLBSA-N 1 0 289.354 2.310 20 10 CECDRO CNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1O ZINC000374872750 374633721 /nfs/dbraw/zinc/63/37/21/374633721.db2.gz FHZMKZZZAMLHNW-MRXNPFEDSA-N 1 0 296.370 2.065 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)CCCO1 ZINC000281276186 375369207 /nfs/dbraw/zinc/36/92/07/375369207.db2.gz OCAFCQFGHSVBNS-ZDUSSCGKSA-N 1 0 295.379 2.410 20 10 CECDRO Cc1cccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1O ZINC000282159753 375417461 /nfs/dbraw/zinc/41/74/61/375417461.db2.gz DHPUYOUMVWKVTC-GOSISDBHSA-N 1 0 299.370 2.461 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)c(O)c1C ZINC000282773567 375571538 /nfs/dbraw/zinc/57/15/38/375571538.db2.gz PAUWIEZEIWBBKN-NEPJUHHUSA-N 1 0 282.359 2.134 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC2(O)CCC2)c1 ZINC000284410882 375828196 /nfs/dbraw/zinc/82/81/96/375828196.db2.gz QMMZTVWZUCVIHX-NSHDSACASA-N 1 0 265.353 2.357 20 10 CECDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294245681 377954044 /nfs/dbraw/zinc/95/40/44/377954044.db2.gz UHKHUMIKKOROBB-QGZVFWFLSA-N 1 0 289.423 2.019 20 10 CECDRO Cc1cc(O)c(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1C ZINC000294725427 378016404 /nfs/dbraw/zinc/01/64/04/378016404.db2.gz FVJLDPAPSKVHTM-UHFFFAOYSA-N 1 0 272.352 2.294 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)NCC2CC2)c(O)c1 ZINC000294381248 377985478 /nfs/dbraw/zinc/98/54/78/377985478.db2.gz RLPZDNMCHOCKBA-GFCCVEGCSA-N 1 0 276.380 2.186 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CC(C)(C)CO)cc1F ZINC000294775668 378018172 /nfs/dbraw/zinc/01/81/72/378018172.db2.gz KPBFYXFLKSSKEL-UHFFFAOYSA-N 1 0 268.376 2.342 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H](C)CCO)c1 ZINC000295150691 378044786 /nfs/dbraw/zinc/04/47/86/378044786.db2.gz RAXSXQLSJMECLF-GFCCVEGCSA-N 1 0 267.369 2.289 20 10 CECDRO C[C@H]([N@H+](C)Cc1ccc(N(C)C)cc1)C(C)(C)O ZINC000295189587 378047579 /nfs/dbraw/zinc/04/75/79/378047579.db2.gz QWAKBVYIFULKSH-LBPRGKRZSA-N 1 0 250.386 2.344 20 10 CECDRO CC1(C[NH2+][C@@H]2CCc3cccc(O)c32)OCCCO1 ZINC000296558988 378574511 /nfs/dbraw/zinc/57/45/11/378574511.db2.gz UDNQDOIEJWRWLC-GFCCVEGCSA-N 1 0 263.337 2.122 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000298603472 378776962 /nfs/dbraw/zinc/77/69/62/378776962.db2.gz ZITXKEFQJWSBGH-UHFFFAOYSA-N 1 0 281.363 2.085 20 10 CECDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000527783820 379812564 /nfs/dbraw/zinc/81/25/64/379812564.db2.gz WGLPZGNROAOGOV-OCCSQVGLSA-N 1 0 251.326 2.058 20 10 CECDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000529652804 380182048 /nfs/dbraw/zinc/18/20/48/380182048.db2.gz QJQMMHCMMPKSBN-CABCVRRESA-N 1 0 281.352 2.067 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CCc3nccn3C1)CC2 ZINC000296253577 285397580 /nfs/dbraw/zinc/39/75/80/285397580.db2.gz BJYHTYLRPFJZGU-TZMCWYRMSA-N 1 0 283.375 2.428 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1 ZINC000270478165 394736011 /nfs/dbraw/zinc/73/60/11/394736011.db2.gz IZAIDTUWBOXUBI-LLVKDONJSA-N 1 0 263.259 2.104 20 10 CECDRO COc1cccc(C[NH2+]C[C@H](C)Cn2ccnc2C)c1O ZINC000105442782 394722066 /nfs/dbraw/zinc/72/20/66/394722066.db2.gz PIDVXGMTEAFENB-LBPRGKRZSA-N 1 0 289.379 2.332 20 10 CECDRO COCCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000120448125 394779469 /nfs/dbraw/zinc/77/94/69/394779469.db2.gz GCFUKIHHIHGYKA-UHFFFAOYSA-N 1 0 254.349 2.360 20 10 CECDRO C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273502079 394788368 /nfs/dbraw/zinc/78/83/68/394788368.db2.gz QHHQSXDOIWPELX-NSHDSACASA-N 1 0 291.351 2.213 20 10 CECDRO Cc1cccc(C[NH2+]CC2([S@@](C)=O)CCC2)c1O ZINC000281873162 394865920 /nfs/dbraw/zinc/86/59/20/394865920.db2.gz UVQTWUAKJKKZTH-GOSISDBHSA-N 1 0 267.394 2.091 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CSCCS2)c1O ZINC000125227625 394842086 /nfs/dbraw/zinc/84/20/86/394842086.db2.gz MDFNAFPLUJAHDN-NSHDSACASA-N 1 0 285.434 2.339 20 10 CECDRO CC[C@H]1CO[C@H](C)CN1Cc1cc2c(cc1O)OCO2 ZINC000131513838 394912544 /nfs/dbraw/zinc/91/25/44/394912544.db2.gz SKQACKSKQZDFOL-PWSUYJOCSA-N 1 0 279.336 2.120 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCOC2)cc1F ZINC000132076745 394923858 /nfs/dbraw/zinc/92/38/58/394923858.db2.gz QTUCFWUYSJYWGF-GFCCVEGCSA-N 1 0 252.333 2.112 20 10 CECDRO COCC[N@H+](C)Cc1cc(Br)ccc1O ZINC000132707773 394935829 /nfs/dbraw/zinc/93/58/29/394935829.db2.gz WINQCKICQRXBQI-UHFFFAOYSA-N 1 0 274.158 2.233 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@]2(CCOC2)O1 ZINC000373483712 395061557 /nfs/dbraw/zinc/06/15/57/395061557.db2.gz VUEYXNMJDVPQFJ-GDBMZVCRSA-N 1 0 277.364 2.162 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000373498197 395062120 /nfs/dbraw/zinc/06/21/20/395062120.db2.gz OPDRCUCBZJXXDT-DGCLKSJQSA-N 1 0 294.370 2.133 20 10 CECDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000375857755 395101488 /nfs/dbraw/zinc/10/14/88/395101488.db2.gz DLMCWRSPLQSNSM-JKSUJKDBSA-N 1 0 288.391 2.368 20 10 CECDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000374284939 395079851 /nfs/dbraw/zinc/07/98/51/395079851.db2.gz WTLRSFMQSYEVIH-HNNXBMFYSA-N 1 0 288.391 2.369 20 10 CECDRO COc1ccc(O)c(C[N@H+](CC2CCC2)[C@H](C)CO)c1 ZINC000289537133 395080457 /nfs/dbraw/zinc/08/04/57/395080457.db2.gz QFEMIWNYVAKSSL-GFCCVEGCSA-N 1 0 279.380 2.384 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC[S@@](C)=O)c1 ZINC000168840240 395089047 /nfs/dbraw/zinc/08/90/47/395089047.db2.gz RCYJNUVGLHCXJD-FDMGOTLNSA-N 1 0 285.409 2.209 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000376200506 395112500 /nfs/dbraw/zinc/11/25/00/395112500.db2.gz XFGMDTSOQWXVAO-CYBMUJFWSA-N 1 0 287.363 2.161 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000178711713 395172010 /nfs/dbraw/zinc/17/20/10/395172010.db2.gz LWBUNWZDHPBQRW-LSDHHAIUSA-N 1 0 289.423 2.276 20 10 CECDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000179335552 395190861 /nfs/dbraw/zinc/19/08/61/395190861.db2.gz VJTKONLUYOSGDY-CQSZACIVSA-N 1 0 276.380 2.110 20 10 CECDRO COc1ccc(N2CC[NH+](CC[C@@H]3CCCO3)CC2)cc1 ZINC000188601225 395317377 /nfs/dbraw/zinc/31/73/77/395317377.db2.gz TZDKLRMNVCKYBQ-KRWDZBQOSA-N 1 0 290.407 2.386 20 10 CECDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1O)N1CCOCC1 ZINC000183395206 395256055 /nfs/dbraw/zinc/25/60/55/395256055.db2.gz NVQMOTGOVJXQCD-ZBFHGGJFSA-N 1 0 292.423 2.400 20 10 CECDRO COc1c(O)c(C[N@@H+]2CCSC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278232071 286186990 /nfs/dbraw/zinc/18/69/90/286186990.db2.gz MYKUWKLQIMXZOW-SECBINFHSA-N 1 0 298.364 2.246 20 10 CECDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617705 286829713 /nfs/dbraw/zinc/82/97/13/286829713.db2.gz JWQITPJMKIVZKH-QWRGUYRKSA-N 1 0 280.343 2.193 20 10 CECDRO CC[C@@H]([NH2+][C@H](CCO)COC)c1ccc(N(C)C)cc1 ZINC000269048538 286930313 /nfs/dbraw/zinc/93/03/13/286930313.db2.gz WYAHFYQIAKKAJD-GDBMZVCRSA-N 1 0 280.412 2.191 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000020208955 171073422 /nfs/dbraw/zinc/07/34/22/171073422.db2.gz ASOCTUIMADJRAU-HZMBPMFUSA-N 1 0 251.326 2.058 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1O ZINC000128267985 260373359 /nfs/dbraw/zinc/37/33/59/260373359.db2.gz YSWJFDPQFQHZAC-QWHCGFSZSA-N 1 0 265.353 2.040 20 10 CECDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000154010261 261086841 /nfs/dbraw/zinc/08/68/41/261086841.db2.gz XRPTWACNSOSLQL-CQSZACIVSA-N 1 0 292.379 2.411 20 10 CECDRO CC[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccccc1O ZINC000155280396 261100113 /nfs/dbraw/zinc/10/01/13/261100113.db2.gz CVAKHGFATHGFKO-MRXNPFEDSA-N 1 0 292.423 2.280 20 10 CECDRO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000155602110 261104612 /nfs/dbraw/zinc/10/46/12/261104612.db2.gz UGTJWMXOTSDPRL-INIZCTEOSA-N 1 0 289.423 2.101 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccccc1O ZINC000155936752 261109875 /nfs/dbraw/zinc/10/98/75/261109875.db2.gz PKOXZESLHKKWAD-GDBMZVCRSA-N 1 0 292.423 2.401 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccccc1O ZINC000155936626 261110222 /nfs/dbraw/zinc/11/02/22/261110222.db2.gz PKOXZESLHKKWAD-ZBFHGGJFSA-N 1 0 292.423 2.401 20 10 CECDRO COc1cc(O)c(CN2CCO[C@H](C)[C@H]2C)cc1OC ZINC000160431989 261214238 /nfs/dbraw/zinc/21/42/38/261214238.db2.gz BCNOQCBPZBMSJE-GHMZBOCLSA-N 1 0 281.352 2.019 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000166458616 261389691 /nfs/dbraw/zinc/38/96/91/261389691.db2.gz ZENKZZNWBJGFJI-OLZOCXBDSA-N 1 0 293.386 2.025 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000367435101 261964460 /nfs/dbraw/zinc/96/44/60/261964460.db2.gz AQNRKWQNXMIFJC-UHFFFAOYSA-N 1 0 287.363 2.223 20 10 CECDRO CC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000184705963 262026770 /nfs/dbraw/zinc/02/67/70/262026770.db2.gz KIIJXCXVYWGDEP-ZDUSSCGKSA-N 1 0 273.760 2.305 20 10 CECDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185438734 262054586 /nfs/dbraw/zinc/05/45/86/262054586.db2.gz ZKOGZCWKLILRRZ-PGUXBMHVSA-N 1 0 267.369 2.458 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000185787864 262070734 /nfs/dbraw/zinc/07/07/34/262070734.db2.gz YTIBJUGELYAXCX-RYUDHWBXSA-N 1 0 292.379 2.062 20 10 CECDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186030303 262076382 /nfs/dbraw/zinc/07/63/82/262076382.db2.gz JRNQKXLOSYITFV-NWDGAFQWSA-N 1 0 285.409 2.174 20 10 CECDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(C)ccc2O)C1(C)C ZINC000186590014 262100954 /nfs/dbraw/zinc/10/09/54/262100954.db2.gz XRBGLKOSUAWNJC-WBVHZDCISA-N 1 0 293.407 2.356 20 10 CECDRO Oc1ccccc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274275355 263022648 /nfs/dbraw/zinc/02/26/48/263022648.db2.gz SPDORPVYHMRRRX-UHFFFAOYSA-N 1 0 275.377 2.027 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nnc3n2CCC3)c(O)c1 ZINC000283846034 263084616 /nfs/dbraw/zinc/08/46/16/263084616.db2.gz AZSVDYXVPVZADX-GFCCVEGCSA-N 1 0 286.379 2.398 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c1 ZINC000361991434 266915024 /nfs/dbraw/zinc/91/50/24/266915024.db2.gz NYFJDSORELUJEK-AWEZNQCLSA-N 1 0 299.374 2.146 20 10 CECDRO O=C(NC1CC[NH+](Cc2ccccc2O)CC1)c1ccc[nH]1 ZINC000367529986 267097410 /nfs/dbraw/zinc/09/74/10/267097410.db2.gz YHCHDMKPALLZGT-UHFFFAOYSA-N 1 0 299.374 2.115 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1O ZINC000369397468 267240577 /nfs/dbraw/zinc/24/05/77/267240577.db2.gz GZOIPBXZJAFVNR-OAHLLOKOSA-N 1 0 294.782 2.066 20 10 CECDRO CC[C@H](c1ccccc1O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000369612423 267255011 /nfs/dbraw/zinc/25/50/11/267255011.db2.gz IAZUKXYYBZTXNP-UKRRQHHQSA-N 1 0 278.396 2.106 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H](C)C2)c1 ZINC000370054488 267286964 /nfs/dbraw/zinc/28/69/64/267286964.db2.gz WIMCPDAECSJCEE-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO C[C@H]1COCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000370188056 267296807 /nfs/dbraw/zinc/29/68/07/267296807.db2.gz ZXVBPRURZFFRKF-GFCCVEGCSA-N 1 0 266.360 2.360 20 10 CECDRO COc1cc(O)c(C[N@H+]2CCC[C@H](OC)CC2)cc1OC ZINC000377242723 268059183 /nfs/dbraw/zinc/05/91/83/268059183.db2.gz HVLUKYKDCAJXAE-ZDUSSCGKSA-N 1 0 295.379 2.410 20 10 CECDRO CNC(=O)C1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297823680 277223485 /nfs/dbraw/zinc/22/34/85/277223485.db2.gz RNIJQXXIACUQJE-RUXDESIVSA-N 1 0 288.391 2.274 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H]2CCOC[C@H]21 ZINC000366498134 288167558 /nfs/dbraw/zinc/16/75/58/288167558.db2.gz RFJXWONGZIOFLT-FMKPAKJESA-N 1 0 277.364 2.333 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CCCO)c1 ZINC000094941813 295168318 /nfs/dbraw/zinc/16/83/18/295168318.db2.gz ANWWKFZPSRKPCU-MNOVXSKESA-N 1 0 253.342 2.212 20 10 CECDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185377555 327839267 /nfs/dbraw/zinc/83/92/67/327839267.db2.gz MHSSGGWKKNWKNK-NSHDSACASA-N 1 0 294.370 2.440 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C3CC3)CC2)c1 ZINC000179732546 329208088 /nfs/dbraw/zinc/20/80/88/329208088.db2.gz ANGCSDHKJATIQU-UHFFFAOYSA-N 1 0 260.381 2.371 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000090181695 327177692 /nfs/dbraw/zinc/17/76/92/327177692.db2.gz COCMTYZNVRRTET-TZMCWYRMSA-N 1 0 287.407 2.167 20 10 CECDRO Cc1cccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1O ZINC000377706834 329026405 /nfs/dbraw/zinc/02/64/05/329026405.db2.gz ZHRJAIVLNYIQDY-CABCVRRESA-N 1 0 277.364 2.080 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000377887665 329033402 /nfs/dbraw/zinc/03/34/02/329033402.db2.gz GODMANCTRTYKAO-CYBMUJFWSA-N 1 0 271.364 2.424 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCn2ccnc2)c1O ZINC000228669554 329059049 /nfs/dbraw/zinc/05/90/49/329059049.db2.gz NZEIIYKITJFVFB-UHFFFAOYSA-N 1 0 281.743 2.041 20 10 CECDRO Cc1cccc(C[N@@H+]2CCCN(C3CC3)CC2)c1O ZINC000179923445 329213595 /nfs/dbraw/zinc/21/35/95/329213595.db2.gz IDYQRQVSZADAMS-UHFFFAOYSA-N 1 0 260.381 2.371 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]CCn1ccnc1 ZINC000227434644 329272850 /nfs/dbraw/zinc/27/28/50/329272850.db2.gz MLZMIOUVMWDNSL-UHFFFAOYSA-N 1 0 296.168 2.141 20 10 CECDRO CCn1ncc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)n1 ZINC000527925561 330296454 /nfs/dbraw/zinc/29/64/54/330296454.db2.gz VEQAHRBJGFAFMH-GFCCVEGCSA-N 1 0 274.368 2.471 20 10 CECDRO CC1(C)C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000160631319 330870304 /nfs/dbraw/zinc/87/03/04/330870304.db2.gz MXLPMGCHOJBWRZ-LLVKDONJSA-N 1 0 279.336 2.168 20 10 CECDRO Cc1c2ccccc2n(C)c1CNC(=O)/C=C\C[NH+](C)C ZINC000491967584 332377549 /nfs/dbraw/zinc/37/75/49/332377549.db2.gz YEMFCJUYTRPALH-YFHOEESVSA-N 1 0 285.391 2.221 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000217860982 333124569 /nfs/dbraw/zinc/12/45/69/333124569.db2.gz QIBWTWMWYHNSLH-GDBMZVCRSA-N 1 0 290.407 2.250 20 10 CECDRO CC(=O)NCC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000219488350 333151157 /nfs/dbraw/zinc/15/11/57/333151157.db2.gz AUDQWVGRXCEPRM-UHFFFAOYSA-N 1 0 276.380 2.049 20 10 CECDRO CCOc1cccc(C[NH2+]CCOCC2CC2)c1O ZINC000224529930 333222163 /nfs/dbraw/zinc/22/21/63/333222163.db2.gz QUHXQBGOYDUEIQ-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCOCC1 ZINC000134496367 334092099 /nfs/dbraw/zinc/09/20/99/334092099.db2.gz WJOLQRCWTJZLBY-JTQLQIEISA-N 1 0 279.336 2.026 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CO)c1ccc(Br)cc1O ZINC000134926058 334108658 /nfs/dbraw/zinc/10/86/58/334108658.db2.gz RTNXFNJTAWYOGD-JGVFFNPUSA-N 1 0 274.158 2.186 20 10 CECDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1O ZINC000291787102 520413498 /nfs/dbraw/zinc/41/34/98/520413498.db2.gz GKZNIUUEMQOZPZ-CYBMUJFWSA-N 1 0 293.411 2.312 20 10 CECDRO CC1(C)C[N@H+](Cc2ccccc2O)C[C@@]2(CCOC2)O1 ZINC000280248352 520481872 /nfs/dbraw/zinc/48/18/72/520481872.db2.gz KYLBLBUOTHDSMK-MRXNPFEDSA-N 1 0 277.364 2.162 20 10 CECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cccc(OC)c1O ZINC000292746924 520607778 /nfs/dbraw/zinc/60/77/78/520607778.db2.gz RBWNUIPRCYFPGJ-GFCCVEGCSA-N 1 0 294.395 2.043 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1 ZINC000227975315 520905787 /nfs/dbraw/zinc/90/57/87/520905787.db2.gz YQLWHSWYEOUZFQ-PBHICJAKSA-N 1 0 292.423 2.162 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H]2CCCO2)c1 ZINC000128099752 521142294 /nfs/dbraw/zinc/14/22/94/521142294.db2.gz FPQFMMKXQHAHMC-CQSZACIVSA-N 1 0 265.353 2.402 20 10 CECDRO CCC[C@]1(CO)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000290235470 521319233 /nfs/dbraw/zinc/31/92/33/521319233.db2.gz UAFWONBHTZRDPL-INIZCTEOSA-N 1 0 279.380 2.385 20 10 CECDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@H](C)OC ZINC000291105867 521329062 /nfs/dbraw/zinc/32/90/62/521329062.db2.gz SCVCCTFNHRRPPQ-JTQLQIEISA-N 1 0 298.339 2.166 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CC)COC)c1O ZINC000079737116 521371970 /nfs/dbraw/zinc/37/19/70/521371970.db2.gz DSTYKXODQMBQIG-LBPRGKRZSA-N 1 0 253.342 2.306 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H](OCC)[C@H]2OC)c1O ZINC000274965488 521373750 /nfs/dbraw/zinc/37/37/50/521373750.db2.gz VFQNHEVUTMQPNM-INWMFGNUSA-N 1 0 295.379 2.073 20 10 CECDRO CCCN(CC)CC[NH2+]Cc1cccc(OC)c1O ZINC000223229342 521608354 /nfs/dbraw/zinc/60/83/54/521608354.db2.gz FFGQBBLKNRTLAF-UHFFFAOYSA-N 1 0 266.385 2.222 20 10 CECDRO CCOC1CC(O)(C[NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000278547859 521652503 /nfs/dbraw/zinc/65/25/03/521652503.db2.gz VOTBWOIXMMYVPW-VEAWUBTESA-N 1 0 279.380 2.281 20 10 CECDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000278547856 521652616 /nfs/dbraw/zinc/65/26/16/521652616.db2.gz VOTBWOIXMMYVPW-FUJMWEONSA-N 1 0 279.380 2.281 20 10 CECDRO CCNC(=O)C1(C[NH2+]Cc2cccc(C)c2O)CCC1 ZINC000277269140 521733569 /nfs/dbraw/zinc/73/35/69/521733569.db2.gz POJIPDQKHHXOJE-UHFFFAOYSA-N 1 0 276.380 2.097 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCN2CC=CCC2)cc1F ZINC000279866775 522206580 /nfs/dbraw/zinc/20/65/80/522206580.db2.gz SYCGOFZBJMHWKU-UHFFFAOYSA-N 1 0 277.387 2.243 20 10 CECDRO CC[C@H]([NH2+]CC(=O)N(C)CC)c1ccc(C)cc1O ZINC000280056281 522563196 /nfs/dbraw/zinc/56/31/96/522563196.db2.gz JZNPSADZLLJUJM-ZDUSSCGKSA-N 1 0 264.369 2.220 20 10 CECDRO CC[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(C)cc1O ZINC000280054235 522587306 /nfs/dbraw/zinc/58/73/06/522587306.db2.gz JTEVOWCZMXFXQS-ZDUSSCGKSA-N 1 0 285.409 2.176 20 10 CECDRO COC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H]1CCCO1 ZINC000278620809 522760290 /nfs/dbraw/zinc/76/02/90/522760290.db2.gz CFVMYACKCUKUTE-XEGUGMAKSA-N 1 0 283.343 2.376 20 10 CECDRO COCCCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000044655755 523176808 /nfs/dbraw/zinc/17/68/08/523176808.db2.gz XDSYDXFYXZQLNX-LLVKDONJSA-N 1 0 253.342 2.478 20 10 CECDRO CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000275620629 523562891 /nfs/dbraw/zinc/56/28/91/523562891.db2.gz RNYXOYOQMDFRTN-ZFWWWQNUSA-N 1 0 287.363 2.228 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292994476 523688290 /nfs/dbraw/zinc/68/82/90/523688290.db2.gz GHBBNBMZZMLALG-OAHLLOKOSA-N 1 0 290.407 2.446 20 10 CECDRO C[NH+](C)C1(CNC(=O)c2cccc(O)c2O)CCCCC1 ZINC000279122372 524037035 /nfs/dbraw/zinc/03/70/35/524037035.db2.gz LVZQOCXFYOZKTM-UHFFFAOYSA-N 1 0 292.379 2.092 20 10 CECDRO COc1ccc(C[NH2+]CC2(C)OCCCO2)cc1C ZINC000277159059 524069599 /nfs/dbraw/zinc/06/95/99/524069599.db2.gz GNTANXWAGPRNAR-UHFFFAOYSA-N 1 0 265.353 2.246 20 10 CECDRO C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000097436155 524208358 /nfs/dbraw/zinc/20/83/58/524208358.db2.gz NZZXUXNTTYJURT-OLZOCXBDSA-N 1 0 250.386 2.422 20 10 CECDRO C[C@@H](C(=O)NCc1ccccc1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000263696162 524215066 /nfs/dbraw/zinc/21/50/66/524215066.db2.gz NLOMJAQNUFAERQ-XQQFMLRXSA-N 1 0 276.380 2.270 20 10 CECDRO C[C@H](CNC(=O)Cc1ccc(N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237566651 524388888 /nfs/dbraw/zinc/38/88/88/524388888.db2.gz AEQDWMSFTBERDZ-ZIAGYGMSSA-N 1 0 289.423 2.048 20 10 CECDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000248333279 524500014 /nfs/dbraw/zinc/50/00/14/524500014.db2.gz FRBRFIUXISJAAR-KGLIPLIRSA-N 1 0 289.423 2.099 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000085962933 524754310 /nfs/dbraw/zinc/75/43/10/524754310.db2.gz HDMYAPKIMRKFPA-RISCZKNCSA-N 1 0 265.353 2.042 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2nnc(C)s2)c1 ZINC000289659580 524763740 /nfs/dbraw/zinc/76/37/40/524763740.db2.gz GPWPDCNHWUFARS-SECBINFHSA-N 1 0 293.392 2.454 20 10 CECDRO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000275321162 524878103 /nfs/dbraw/zinc/87/81/03/524878103.db2.gz SIQHJYGTSMJPQV-WLRWDXFRSA-N 1 0 286.416 2.091 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000290527302 525346326 /nfs/dbraw/zinc/34/63/26/525346326.db2.gz QJKHOFIXOVQCOG-AWEZNQCLSA-N 1 0 288.391 2.145 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)C(C)C)c1 ZINC000290193934 525361447 /nfs/dbraw/zinc/36/14/47/525361447.db2.gz GCQONKXTMYKQEI-LBPRGKRZSA-N 1 0 285.409 2.174 20 10 CECDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cc(Cl)ccc1O ZINC000278909022 525403247 /nfs/dbraw/zinc/40/32/47/525403247.db2.gz VPAQOIHPWHZEPJ-RBZYPMLTSA-N 1 0 285.771 2.236 20 10 CECDRO COc1cccc(C[N@H+](C)CC2(O)CCCC2)c1O ZINC000093503164 525914924 /nfs/dbraw/zinc/91/49/24/525914924.db2.gz LEVOLUDXJROJRZ-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CC2)c(O)c1 ZINC000278511777 525916730 /nfs/dbraw/zinc/91/67/30/525916730.db2.gz RMOWYERFHSWBNB-AWEZNQCLSA-N 1 0 290.407 2.216 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)F)c(O)c1C ZINC000280427598 525917239 /nfs/dbraw/zinc/91/72/39/525917239.db2.gz BOJHVLDBPJKCGK-JTQLQIEISA-N 1 0 286.322 2.041 20 10 CECDRO COc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000126892101 525953474 /nfs/dbraw/zinc/95/34/74/525953474.db2.gz ZXBGKVPFWXJSAK-PHIMTYICSA-N 1 0 251.326 2.010 20 10 CECDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(C)ccc2O)o1 ZINC000265985895 525976845 /nfs/dbraw/zinc/97/68/45/525976845.db2.gz NFWJROHFYCBVLC-CQSZACIVSA-N 1 0 261.321 2.425 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3C)c1O ZINC000037087340 526033941 /nfs/dbraw/zinc/03/39/41/526033941.db2.gz IIBPTDIZNUFOGV-CYBMUJFWSA-N 1 0 287.363 2.302 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCCc3c2cnn3C)c1O ZINC000037087341 526039912 /nfs/dbraw/zinc/03/99/12/526039912.db2.gz IIBPTDIZNUFOGV-ZDUSSCGKSA-N 1 0 287.363 2.302 20 10 CECDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])c(C)n1-c1ccccn1 ZINC000237692262 526248424 /nfs/dbraw/zinc/24/84/24/526248424.db2.gz YFRHKANGLRWWKY-CQSZACIVSA-N 1 0 298.390 2.052 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000289764701 526348181 /nfs/dbraw/zinc/34/81/81/526348181.db2.gz KEPHMJALRATBGV-HNNXBMFYSA-N 1 0 275.323 2.225 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000290270831 526351891 /nfs/dbraw/zinc/35/18/91/526351891.db2.gz XVULRCQUPRLMSQ-CZUORRHYSA-N 1 0 289.306 2.116 20 10 CECDRO c1cc(C[NH2+]CCN2CCCCC2)cc2c1OCC2 ZINC000048400304 526426506 /nfs/dbraw/zinc/42/65/06/526426506.db2.gz GNBONLQZDWDMAB-UHFFFAOYSA-N 1 0 260.381 2.197 20 10 CECDRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000063218891 527581007 /nfs/dbraw/zinc/58/10/07/527581007.db2.gz ASHVQJGFCRPIAP-QGZVFWFLSA-N 1 0 283.371 2.315 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000729530432 574489320 /nfs/dbraw/zinc/48/93/20/574489320.db2.gz CIQXROPXZSYCAH-CQSZACIVSA-N 1 0 276.380 2.083 20 10 CECDRO CCC[N@H+](C)CC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000730098470 574501567 /nfs/dbraw/zinc/50/15/67/574501567.db2.gz HANRZDUSFYPANS-UHFFFAOYSA-N 1 0 291.439 2.443 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccccc1O ZINC000760884211 574518139 /nfs/dbraw/zinc/51/81/39/574518139.db2.gz FIXNYMICFTWSDV-OSAQELSMSA-N 1 0 265.353 2.237 20 10 CECDRO COC[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000754741799 574602445 /nfs/dbraw/zinc/60/24/45/574602445.db2.gz NOEDZYAIIPWXEW-LBPRGKRZSA-N 1 0 265.353 2.178 20 10 CECDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C1=CC(=O)CS1 ZINC000732271615 574616812 /nfs/dbraw/zinc/61/68/12/574616812.db2.gz LSSCMWGEUCSZLI-JTQLQIEISA-N 1 0 268.382 2.058 20 10 CECDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000733328862 574664440 /nfs/dbraw/zinc/66/44/40/574664440.db2.gz FVOSEVUCIRKQES-LBPRGKRZSA-N 1 0 276.302 2.420 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)COC)cc1F ZINC000740007027 574938763 /nfs/dbraw/zinc/93/87/63/574938763.db2.gz RFQMMBVLJSLFTI-INIZCTEOSA-N 1 0 298.402 2.159 20 10 CECDRO C[NH+](C)Cc1cccc(C(=O)NCc2ccccc2O)c1 ZINC000741277609 574980617 /nfs/dbraw/zinc/98/06/17/574980617.db2.gz IDKGCEQLGNUAAK-UHFFFAOYSA-N 1 0 284.359 2.384 20 10 CECDRO COCCOC[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000742377402 575018699 /nfs/dbraw/zinc/01/86/99/575018699.db2.gz UFBFXZMCGALWNV-LBPRGKRZSA-N 1 0 284.375 2.033 20 10 CECDRO COC(C)(C)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000742380127 575018750 /nfs/dbraw/zinc/01/87/50/575018750.db2.gz INVMVOZEOPZRTN-UHFFFAOYSA-N 1 0 296.386 2.177 20 10 CECDRO C[C@H]1C[C@H](N(C)C(=O)C2=CC(=O)CS2)CC[N@@H+]1C ZINC000743536494 575106046 /nfs/dbraw/zinc/10/60/46/575106046.db2.gz KYBVIOOJAJVIST-VHSXEESVSA-N 1 0 268.382 2.008 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H](OC)C(C)C ZINC000744448896 575121516 /nfs/dbraw/zinc/12/15/16/575121516.db2.gz NYTCPWJIMSSWER-CQSZACIVSA-N 1 0 253.342 2.161 20 10 CECDRO CCOc1ccc(C[NH2+]CCN2CC[C@@H](C)C2)c(O)c1 ZINC000744450041 575121699 /nfs/dbraw/zinc/12/16/99/575121699.db2.gz JPICRHACBLDCMR-CYBMUJFWSA-N 1 0 278.396 2.222 20 10 CECDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1c(O)ccc2ccccc21 ZINC000748263585 575181590 /nfs/dbraw/zinc/18/15/90/575181590.db2.gz WJEWXRCLDAYHNS-KGLIPLIRSA-N 1 0 296.370 2.398 20 10 CECDRO C[NH+](C)C[C@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000748374365 575185114 /nfs/dbraw/zinc/18/51/14/575185114.db2.gz YRDGZGKNLXMYSR-SNVBAGLBSA-N 1 0 268.382 2.010 20 10 CECDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875592625 649923407 /nfs/dbraw/zinc/92/34/07/649923407.db2.gz MHQBAHHFRWSACP-LBPRGKRZSA-N 1 0 291.395 2.146 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C(C)C)C2)cc1C ZINC000967207680 617259358 /nfs/dbraw/zinc/25/93/58/617259358.db2.gz ICLSTTWZGXFQTQ-OAHLLOKOSA-N 1 0 290.407 2.350 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2cc[nH]c(=O)c2)cc1 ZINC000891397468 623594068 /nfs/dbraw/zinc/59/40/68/623594068.db2.gz QMPYYCAVWKVJOU-UHFFFAOYSA-N 1 0 271.364 2.485 20 10 CECDRO C[N@@H+](Cc1cc2c(cc1O)CCC2)C[C@H]1CCOC1 ZINC000176104336 624025424 /nfs/dbraw/zinc/02/54/24/624025424.db2.gz ODMKMRWZLROEJN-GFCCVEGCSA-N 1 0 261.365 2.349 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1C ZINC000092588582 624098778 /nfs/dbraw/zinc/09/87/78/624098778.db2.gz XFEURKDBURZGHM-CQSZACIVSA-N 1 0 276.380 2.239 20 10 CECDRO C[C@@H](NC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1O ZINC000892057744 624284952 /nfs/dbraw/zinc/28/49/52/624284952.db2.gz QLIMMQYFKVQPMD-WBMJQRKESA-N 1 0 291.395 2.142 20 10 CECDRO C[C@H](NC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccccc1O ZINC000892057741 624285200 /nfs/dbraw/zinc/28/52/00/624285200.db2.gz QLIMMQYFKVQPMD-BLLLJJGKSA-N 1 0 291.395 2.142 20 10 CECDRO COc1ccc(C[N@H+](C)Cc2cccn2C)c(O)c1OC ZINC000892092335 624311668 /nfs/dbraw/zinc/31/16/68/624311668.db2.gz DDUPUZAYWAPSNK-UHFFFAOYSA-N 1 0 290.363 2.380 20 10 CECDRO CCC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000050125469 624597327 /nfs/dbraw/zinc/59/73/27/624597327.db2.gz XVQPCWHAQKJHMN-UHFFFAOYSA-N 1 0 259.353 2.440 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)CC(=O)NC(C)(C)C)cc1C ZINC000052582580 624989191 /nfs/dbraw/zinc/98/91/91/624989191.db2.gz HTGPMBCUJRHCKM-UHFFFAOYSA-N 1 0 278.396 2.356 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)cc1C ZINC000066080671 625762170 /nfs/dbraw/zinc/76/21/70/625762170.db2.gz JTSQYPFAAJYQKF-CQSZACIVSA-N 1 0 290.407 2.487 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCc1ccc(O)cc1 ZINC000725848632 625816107 /nfs/dbraw/zinc/81/61/07/625816107.db2.gz ZUVNKQCZQIYRNT-UHFFFAOYSA-N 1 0 273.332 2.439 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C(C)=O)cc1C ZINC001024835727 625846032 /nfs/dbraw/zinc/84/60/32/625846032.db2.gz OZZBSRPGGXJUJS-MRXNPFEDSA-N 1 0 290.407 2.494 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCOC(C)(C)C ZINC000725850206 625943589 /nfs/dbraw/zinc/94/35/89/625943589.db2.gz QPRNPBLTBKBTMG-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO Oc1cccc(Cl)c1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000311210129 627391037 /nfs/dbraw/zinc/39/10/37/627391037.db2.gz KZKNJEBSCHJXAB-GXFFZTMASA-N 1 0 266.772 2.229 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccccc2O)c(O)c1OC ZINC000892793112 627776177 /nfs/dbraw/zinc/77/61/77/627776177.db2.gz WKRDUPACGBUBCR-UHFFFAOYSA-N 1 0 289.331 2.405 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CO)CC2)cc1OC ZINC000293993769 627867922 /nfs/dbraw/zinc/86/79/22/627867922.db2.gz LVSVVVDASCXWAV-LBPRGKRZSA-N 1 0 295.379 2.004 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c(O)c1OC ZINC000893131148 628026573 /nfs/dbraw/zinc/02/65/73/628026573.db2.gz AGUDSCKZQRKUKO-BJHJDKERSA-N 1 0 295.379 2.050 20 10 CECDRO COc1ccc(C[NH2+][C@@H](CO)CC(C)(C)C)c(O)c1OC ZINC000893202801 628125636 /nfs/dbraw/zinc/12/56/36/628125636.db2.gz OGSMIGXGXOSCQJ-GFCCVEGCSA-N 1 0 297.395 2.296 20 10 CECDRO Oc1ccc(Br)cc1CNCc1cocn1 ZINC000310041814 628273584 /nfs/dbraw/zinc/27/35/84/628273584.db2.gz YZZSSQRTWRIFGY-UHFFFAOYSA-N 1 0 283.125 2.433 20 10 CECDRO CCCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775833534 628343542 /nfs/dbraw/zinc/34/35/42/628343542.db2.gz CXPYZKOLYYDBTR-ZDUSSCGKSA-N 1 0 298.452 2.228 20 10 CECDRO CN(C)c1ccc2c(c1)OCCN2CC1CC[NH+](C)CC1 ZINC000893614419 628802676 /nfs/dbraw/zinc/80/26/76/628802676.db2.gz NNIIYMOCNJXPIE-UHFFFAOYSA-N 1 0 289.423 2.293 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000840948231 628837567 /nfs/dbraw/zinc/83/75/67/628837567.db2.gz FWRUPWGCMCSOCM-CYBMUJFWSA-N 1 0 290.329 2.416 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCN(C)C(C)C)c1 ZINC000054110845 628879419 /nfs/dbraw/zinc/87/94/19/628879419.db2.gz YEQXFBIRTUIEAW-LBPRGKRZSA-N 1 0 266.385 2.392 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)c2ccc(C[NH3+])o2)cc1 ZINC000094567810 628928775 /nfs/dbraw/zinc/92/87/75/628928775.db2.gz SXDAKPXMCBMICV-UHFFFAOYSA-N 1 0 287.363 2.077 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)C(C)C ZINC000840967050 628935932 /nfs/dbraw/zinc/93/59/32/628935932.db2.gz CSMABXLGPBWROL-JSGCOSHPSA-N 1 0 255.333 2.416 20 10 CECDRO COc1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c(O)c1OC ZINC000893900778 629034429 /nfs/dbraw/zinc/03/44/29/629034429.db2.gz APHMGACXIBPDSW-JOCQHMNTSA-N 1 0 295.379 2.145 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccc(OC)cc2O)o1 ZINC000894184968 629196866 /nfs/dbraw/zinc/19/68/66/629196866.db2.gz IEFOEBIDTUTKLY-UHFFFAOYSA-N 1 0 263.293 2.292 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2nccs2)c1O ZINC000894200877 629204728 /nfs/dbraw/zinc/20/47/28/629204728.db2.gz XPEKLJAXEVGPIH-UHFFFAOYSA-N 1 0 264.350 2.456 20 10 CECDRO COc1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c(O)c1OC ZINC000894254763 629264398 /nfs/dbraw/zinc/26/43/98/629264398.db2.gz UWGSYEBTOWEWKG-WCQYABFASA-N 1 0 295.379 2.409 20 10 CECDRO COC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(C)C ZINC000894268444 629286125 /nfs/dbraw/zinc/28/61/25/629286125.db2.gz DYQGJEMEYSAMKX-CYBMUJFWSA-N 1 0 267.369 2.470 20 10 CECDRO COC(=O)CC(C)(C)[NH2+]Cc1cc(C)ccc1O ZINC000237128476 629290507 /nfs/dbraw/zinc/29/05/07/629290507.db2.gz ABAINZQRAFUZLQ-UHFFFAOYSA-N 1 0 251.326 2.132 20 10 CECDRO CC[C@H]([NH2+][C@@H](CO)COC)c1cc(Cl)ccc1O ZINC000794839132 629334102 /nfs/dbraw/zinc/33/41/02/629334102.db2.gz YVDCSWMHJJYMBG-JQWIXIFHSA-N 1 0 273.760 2.094 20 10 CECDRO COc1cccc(C[NH2+]Cc2cn(C)nc2C2CC2)c1O ZINC000894457814 629471249 /nfs/dbraw/zinc/47/12/49/629471249.db2.gz IHDZFZIDCNNQCB-UHFFFAOYSA-N 1 0 287.363 2.302 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@@H]1CCO ZINC000894501339 629502272 /nfs/dbraw/zinc/50/22/72/629502272.db2.gz WYYYJGDJLBTDFO-LLVKDONJSA-N 1 0 257.280 2.017 20 10 CECDRO COc1ccc(C[NH2+]CCC[C@H]2CCOC2)c(O)c1OC ZINC000894769229 629624905 /nfs/dbraw/zinc/62/49/05/629624905.db2.gz SGDKQGVKYDRSGW-LBPRGKRZSA-N 1 0 295.379 2.316 20 10 CECDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(OC)c(OC)c1O ZINC000894763926 629631604 /nfs/dbraw/zinc/63/16/04/629631604.db2.gz QBRRPEAMHSRQFC-NSHDSACASA-N 1 0 283.368 2.002 20 10 CECDRO COc1cc(C[N@@H+](C)C[C@@H](C)OC)c(O)cc1C ZINC000795748666 629663972 /nfs/dbraw/zinc/66/39/72/629663972.db2.gz DMFKEEOXZSOUSS-LLVKDONJSA-N 1 0 253.342 2.176 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1O ZINC000894914207 629751470 /nfs/dbraw/zinc/75/14/70/629751470.db2.gz LIHLIEUGQOVSNN-OCCSQVGLSA-N 1 0 279.380 2.350 20 10 CECDRO CC1=NO[C@@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000895299412 630088085 /nfs/dbraw/zinc/08/80/85/630088085.db2.gz CTALVIAJOXIQKF-SECBINFHSA-N 1 0 299.168 2.409 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H]2CC(C)=NO2)c1O ZINC000895309527 630098117 /nfs/dbraw/zinc/09/81/17/630098117.db2.gz CADHZWNGZABWIL-LBPRGKRZSA-N 1 0 264.325 2.045 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@]23C[C@H]2COC3(C)C)c1O ZINC000895391362 630160465 /nfs/dbraw/zinc/16/04/65/630160465.db2.gz YDRCIMSXLIRQQE-BLLLJJGKSA-N 1 0 277.364 2.366 20 10 CECDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895393803 630162292 /nfs/dbraw/zinc/16/22/92/630162292.db2.gz PCSCJZPBKZDYAC-HIFRSBDPSA-N 1 0 265.353 2.366 20 10 CECDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841299621 630220293 /nfs/dbraw/zinc/22/02/93/630220293.db2.gz LNDKCTQRFHWYGR-WFASDCNBSA-N 1 0 288.395 2.359 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000895841627 630365535 /nfs/dbraw/zinc/36/55/35/630365535.db2.gz AIICKGAKEZFQJK-OCCSQVGLSA-N 1 0 277.364 2.402 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1O ZINC000895841623 630365626 /nfs/dbraw/zinc/36/56/26/630365626.db2.gz AIICKGAKEZFQJK-GXTWGEPZSA-N 1 0 277.364 2.402 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1O ZINC000895841625 630365987 /nfs/dbraw/zinc/36/59/87/630365987.db2.gz AIICKGAKEZFQJK-JSGCOSHPSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1 ZINC000895923622 630404770 /nfs/dbraw/zinc/40/47/70/630404770.db2.gz XOCLTXMALAQZRI-JHJVBQTASA-N 1 0 276.380 2.140 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000896304339 630522946 /nfs/dbraw/zinc/52/29/46/630522946.db2.gz HULBCXNOWUANBF-AWEZNQCLSA-N 1 0 289.423 2.019 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](C)CC2)c1 ZINC000896583816 630603645 /nfs/dbraw/zinc/60/36/45/630603645.db2.gz HNIDDTAIWSOFLH-GFCCVEGCSA-N 1 0 265.353 2.402 20 10 CECDRO CCOCCOCC[NH2+]Cc1cccc(CC)c1O ZINC000897203717 630988706 /nfs/dbraw/zinc/98/87/06/630988706.db2.gz CFKHOOMKNLHODZ-UHFFFAOYSA-N 1 0 267.369 2.097 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(C)cc1O ZINC000800498476 631131490 /nfs/dbraw/zinc/13/14/90/631131490.db2.gz LCIVVKOZGWIATI-AAEUAGOBSA-N 1 0 282.359 2.216 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](C)CS(C)(=O)=O ZINC000163378883 631343900 /nfs/dbraw/zinc/34/39/00/631343900.db2.gz MILMJWOJTGHMSR-ZDUSSCGKSA-N 1 0 299.436 2.285 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)cc1O ZINC000841747537 631573893 /nfs/dbraw/zinc/57/38/93/631573893.db2.gz CFYDCDGUSUQFSM-MWLCHTKSSA-N 1 0 294.782 2.460 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(Cl)cc1O ZINC000841748811 631646893 /nfs/dbraw/zinc/64/68/93/631646893.db2.gz ZDMXSNRGPDQYPX-MFKMUULPSA-N 1 0 299.798 2.484 20 10 CECDRO C[C@@H]1C[C@@H](CN2CCOc3cc(N(C)C)ccc32)CC[NH2+]1 ZINC000841011245 631710858 /nfs/dbraw/zinc/71/08/58/631710858.db2.gz FVJOXHDAFRONSJ-KGLIPLIRSA-N 1 0 289.423 2.340 20 10 CECDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000806662244 631762839 /nfs/dbraw/zinc/76/28/39/631762839.db2.gz AYVSNIBVADTKFL-AAEUAGOBSA-N 1 0 296.436 2.219 20 10 CECDRO CSCC[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)C ZINC000806661799 631763055 /nfs/dbraw/zinc/76/30/55/631763055.db2.gz FANUZANKVRTOGF-AAEUAGOBSA-N 1 0 296.436 2.253 20 10 CECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CC[NH2+]CC1 ZINC000841031279 631816827 /nfs/dbraw/zinc/81/68/27/631816827.db2.gz ZUKKHSCSJUQBDA-UHFFFAOYSA-N 1 0 258.724 2.026 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](CC)CCC(=O)NC)cc1 ZINC000897710621 631881174 /nfs/dbraw/zinc/88/11/74/631881174.db2.gz ZFFOOISKJUXOCU-UHFFFAOYSA-N 1 0 291.439 2.491 20 10 CECDRO [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897843753 631941453 /nfs/dbraw/zinc/94/14/53/631941453.db2.gz HWVFZMOULUYNFE-ATVVMRJVSA-N 1 0 271.719 2.188 20 10 CECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841036493 631961699 /nfs/dbraw/zinc/96/16/99/631961699.db2.gz OXSZYXKHBBPLOY-VIFPVBQESA-N 1 0 272.751 2.274 20 10 CECDRO Cn1cnc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000898045458 632009931 /nfs/dbraw/zinc/00/99/31/632009931.db2.gz OLDSVDRQVCRFMM-UHFFFAOYSA-N 1 0 251.717 2.069 20 10 CECDRO COC(=O)c1cc(C[N@H+](C)Cc2ccccc2O)cn1C ZINC000809548411 632097914 /nfs/dbraw/zinc/09/79/14/632097914.db2.gz CKAYSXPYAYNHHJ-UHFFFAOYSA-N 1 0 288.347 2.149 20 10 CECDRO COCCN(CC[NH+](C)C)Cc1cc(Cl)ccc1O ZINC000809740850 632136771 /nfs/dbraw/zinc/13/67/71/632136771.db2.gz KJRFFLSHNVATBF-UHFFFAOYSA-N 1 0 286.803 2.056 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)CCCn2ccnc2)c1 ZINC000809753303 632140471 /nfs/dbraw/zinc/14/04/71/632140471.db2.gz PXLDMNCZJGVHNQ-UHFFFAOYSA-N 1 0 275.352 2.119 20 10 CECDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)C1CC1 ZINC000809752418 632140884 /nfs/dbraw/zinc/14/08/84/632140884.db2.gz RSFQVOLPLZQKCL-CYBMUJFWSA-N 1 0 255.745 2.248 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CO)C2CCCC2)c(O)c1 ZINC000810178601 632191844 /nfs/dbraw/zinc/19/18/44/632191844.db2.gz SINUFJPDSCWKSM-HNNXBMFYSA-N 1 0 279.380 2.432 20 10 CECDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826130152 635764773 /nfs/dbraw/zinc/76/47/73/635764773.db2.gz DRUVZHNAGJURMY-LBPRGKRZSA-N 1 0 282.771 2.064 20 10 CECDRO COCC(C)(C)C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841043313 632337355 /nfs/dbraw/zinc/33/73/55/632337355.db2.gz RETXYKBQVPNUFQ-OAHLLOKOSA-N 1 0 279.428 2.015 20 10 CECDRO C[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000927082775 632451186 /nfs/dbraw/zinc/45/11/86/632451186.db2.gz DFESOSRACABWFM-CJNGLKHVSA-N 1 0 278.396 2.209 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(C)cc1O ZINC000927125573 632473063 /nfs/dbraw/zinc/47/30/63/632473063.db2.gz AEFLQSGFOYWOGQ-CZUORRHYSA-N 1 0 289.379 2.208 20 10 CECDRO COc1ccc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)cc1C ZINC000898467900 632507665 /nfs/dbraw/zinc/50/76/65/632507665.db2.gz RXOGJXYJLJWUPA-DOTOQJQBSA-N 1 0 288.391 2.295 20 10 CECDRO COc1cccc(C[NH2+]CCO[C@@H]2CCCCO2)c1O ZINC000813334042 632671854 /nfs/dbraw/zinc/67/18/54/632671854.db2.gz VLIJYPQQEZMSMA-CQSZACIVSA-N 1 0 281.352 2.034 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCO[C@@H]2CCCCO2)cc1 ZINC000813333211 632672066 /nfs/dbraw/zinc/67/20/66/632672066.db2.gz KQZMAMHVADILOY-MRXNPFEDSA-N 1 0 278.396 2.385 20 10 CECDRO C[C@H]1C[C@H]([NH2+]C2COCCOC2)c2c1c(F)ccc2O ZINC000813879003 632751591 /nfs/dbraw/zinc/75/15/91/632751591.db2.gz IFVXTIBXSOJOOD-CABZTGNLSA-N 1 0 281.327 2.085 20 10 CECDRO C[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)S(C)(=O)=O ZINC000816558564 633413158 /nfs/dbraw/zinc/41/31/58/633413158.db2.gz DHUDHYXXGNXQMW-NSHDSACASA-N 1 0 293.388 2.068 20 10 CECDRO CN1CCC[C@H]1C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000817372910 633643783 /nfs/dbraw/zinc/64/37/83/633643783.db2.gz LLOAGNAZRIGWBI-INIZCTEOSA-N 1 0 274.408 2.407 20 10 CECDRO CC[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2OC)CCO1 ZINC000817415394 633655000 /nfs/dbraw/zinc/65/50/00/633655000.db2.gz RZPSGRJTMFGDDQ-RYUDHWBXSA-N 1 0 265.353 2.448 20 10 CECDRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817941437 633790120 /nfs/dbraw/zinc/79/01/20/633790120.db2.gz QHJACSDRZYVOLU-GXSJLCMTSA-N 1 0 254.761 2.448 20 10 CECDRO C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817948286 633793177 /nfs/dbraw/zinc/79/31/77/633793177.db2.gz WQBFLJOUPCPXPJ-KPPDAEKUSA-N 1 0 279.340 2.221 20 10 CECDRO C[C@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccccc1O ZINC000817950156 633794597 /nfs/dbraw/zinc/79/45/97/633794597.db2.gz WZBQURVVKGYMGI-ZDUSSCGKSA-N 1 0 298.390 2.370 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000817949866 633794627 /nfs/dbraw/zinc/79/46/27/633794627.db2.gz OMHAWZBAXBPGHZ-NEPJUHHUSA-N 1 0 264.369 2.194 20 10 CECDRO CCn1cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)cn1 ZINC000817955915 633799409 /nfs/dbraw/zinc/79/94/09/633799409.db2.gz LESJHHSAMQRNAT-GFCCVEGCSA-N 1 0 258.369 2.379 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817969202 633812148 /nfs/dbraw/zinc/81/21/48/633812148.db2.gz RQDGZVJSTWGYBE-MWLCHTKSSA-N 1 0 270.323 2.463 20 10 CECDRO C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817973456 633816617 /nfs/dbraw/zinc/81/66/17/633816617.db2.gz UCMPBEUIHOOPHI-RQJHMYQMSA-N 1 0 291.164 2.292 20 10 CECDRO COC[C@@]1(CN[C@@H](C)c2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000817974210 633817222 /nfs/dbraw/zinc/81/72/22/633817222.db2.gz JKIWGHGFFOIEOQ-YOEHRIQHSA-N 1 0 291.439 2.172 20 10 CECDRO COC[C@]1(CN[C@@H](C)c2ccc(C)cc2O)CCC[NH2+]1 ZINC000817974199 633817332 /nfs/dbraw/zinc/81/73/32/633817332.db2.gz JIBZNEXUEWTQQY-XJKSGUPXSA-N 1 0 278.396 2.120 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CNCCO1)c1cc(Cl)ccc1O ZINC000817982993 633827471 /nfs/dbraw/zinc/82/74/71/633827471.db2.gz JHFSTQMAOKGLLS-YPMHNXCESA-N 1 0 284.787 2.075 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCO[C@@H]3C)C2)cc1 ZINC000818221457 633887683 /nfs/dbraw/zinc/88/76/83/633887683.db2.gz MUFAEKODGHTQQA-CPUCHLNUSA-N 1 0 290.407 2.289 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+]CC3(O)CCC3)C2)cc1 ZINC000819379010 634162368 /nfs/dbraw/zinc/16/23/68/634162368.db2.gz BVMNTODKZRMXNY-CQSZACIVSA-N 1 0 290.407 2.026 20 10 CECDRO CCOc1ccc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c(O)c1 ZINC000822520459 634935646 /nfs/dbraw/zinc/93/56/46/634935646.db2.gz CDNGZGKAPLBAOR-XJKSGUPXSA-N 1 0 290.407 2.317 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(C)cc1O ZINC000903226531 635014615 /nfs/dbraw/zinc/01/46/15/635014615.db2.gz GZGBOTCGRCJFLL-MRXNPFEDSA-N 1 0 292.423 2.464 20 10 CECDRO COc1nn(C)cc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000903337665 635067986 /nfs/dbraw/zinc/06/79/86/635067986.db2.gz KYYQPGQVFNBPGC-SECBINFHSA-N 1 0 279.315 2.124 20 10 CECDRO CN(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc2c(c1)OCO2 ZINC000903902527 635339540 /nfs/dbraw/zinc/33/95/40/635339540.db2.gz IPOKRYQSKDJWLH-YHWZYXNKSA-N 1 0 274.364 2.382 20 10 CECDRO C[N@@H+]1CC[C@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000824213515 635377116 /nfs/dbraw/zinc/37/71/16/635377116.db2.gz QBUAHUAXAFFAPH-SNVBAGLBSA-N 1 0 282.771 2.004 20 10 CECDRO Cc1ncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)n1C ZINC000824474750 635433876 /nfs/dbraw/zinc/43/38/76/635433876.db2.gz RZXBAHXNDWGHHJ-UHFFFAOYSA-N 1 0 272.396 2.427 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC[C@H]2C(=O)OC)c1 ZINC000824703171 635480899 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CN(C)c1ccc(/C=C/CN[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000904462129 635634590 /nfs/dbraw/zinc/63/45/90/635634590.db2.gz NKSDAFLXLKZLLK-SQRWCISFSA-N 1 0 273.424 2.353 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc1Cl ZINC000825666088 635689064 /nfs/dbraw/zinc/68/90/64/635689064.db2.gz GWCKXIWNWMVLBU-ONGXEEELSA-N 1 0 255.745 2.309 20 10 CECDRO [NH3+][C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000827007734 636187508 /nfs/dbraw/zinc/18/75/08/636187508.db2.gz AIDCXKYITMHEBK-MRXNPFEDSA-N 1 0 287.407 2.030 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC(=O)N(C)CC2)cc1Cl ZINC000827359663 636304480 /nfs/dbraw/zinc/30/44/80/636304480.db2.gz RCLGHQDVXNBHPL-UHFFFAOYSA-N 1 0 282.771 2.018 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000827594000 636362136 /nfs/dbraw/zinc/36/21/36/636362136.db2.gz DIKPZUPKUVWRAX-JSGCOSHPSA-N 1 0 277.364 2.259 20 10 CECDRO Cc1cccc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c1O ZINC000827687620 636391405 /nfs/dbraw/zinc/39/14/05/636391405.db2.gz RPYZSDDNYWRRPO-HNNXBMFYSA-N 1 0 290.407 2.437 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1O ZINC000827936937 636463894 /nfs/dbraw/zinc/46/38/94/636463894.db2.gz HHXXRBLQNPCBOT-YPMHNXCESA-N 1 0 262.353 2.054 20 10 CECDRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1O ZINC000827968867 636473504 /nfs/dbraw/zinc/47/35/04/636473504.db2.gz BGXCZECCBAPCME-AVGNSLFASA-N 1 0 276.380 2.300 20 10 CECDRO Cc1cc(Br)c([O-])c(C[NH2+]C2CC([NH3+])C2)c1 ZINC000906510135 636760779 /nfs/dbraw/zinc/76/07/79/636760779.db2.gz NETXQHDZJZFWRY-UHFFFAOYSA-N 1 0 285.185 2.042 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000829251487 636812235 /nfs/dbraw/zinc/81/22/35/636812235.db2.gz ZAUPYWXMUDZQPP-INIZCTEOSA-N 1 0 292.448 2.461 20 10 CECDRO Cc1cocc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507146 650294926 /nfs/dbraw/zinc/29/49/26/650294926.db2.gz WORKRFOHRYTHDY-OAHLLOKOSA-N 1 0 287.363 2.084 20 10 CECDRO CN(C)c1ccc([C@H](CNC(=O)OCCF)[NH+](C)C)cc1 ZINC000908460697 637351996 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ZINC000834651015 637904696 /nfs/dbraw/zinc/90/46/96/637904696.db2.gz UFUDQQHSYUWXDP-LBPRGKRZSA-N 1 0 295.379 2.075 20 10 CECDRO CC[C@H]([NH2+][C@H](C)CC(=O)NC)c1ccc(C)cc1O ZINC000834898662 637981145 /nfs/dbraw/zinc/98/11/45/637981145.db2.gz ATVNGDOAAKENNX-YPMHNXCESA-N 1 0 264.369 2.266 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)CC(=O)NC)cc1 ZINC000834898764 637981629 /nfs/dbraw/zinc/98/16/29/637981629.db2.gz GNFAGTNTIRQGMT-STQMWFEESA-N 1 0 277.412 2.318 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c1 ZINC000834910343 637985895 /nfs/dbraw/zinc/98/58/95/637985895.db2.gz WMPZDSWORBROLB-XHDPSFHLSA-N 1 0 262.353 2.020 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(=O)NC ZINC000834913986 637987036 /nfs/dbraw/zinc/98/70/36/637987036.db2.gz RTJRKAQCEKPHHY-AAEUAGOBSA-N 1 0 264.369 2.184 20 10 CECDRO CO[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835028507 638030123 /nfs/dbraw/zinc/03/01/23/638030123.db2.gz KVDDAKLRBVPNML-AWFCHZOYSA-N 1 0 260.381 2.487 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@](C)(O)C2)cc1 ZINC000835027842 638030262 /nfs/dbraw/zinc/03/02/62/638030262.db2.gz GVCWHBHFRXMXPA-DWTRPJMMSA-N 1 0 260.381 2.223 20 10 CECDRO CN(C)c1ccc(/C=C/CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC000835029444 638030910 /nfs/dbraw/zinc/03/09/10/638030910.db2.gz RESLSXKFMKGNAZ-HRMTXBTBSA-N 1 0 285.435 2.450 20 10 CECDRO CC(C)[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCO ZINC000835026638 638031212 /nfs/dbraw/zinc/03/12/12/638031212.db2.gz YXRDHKMDVQGXCX-AATRIKPKSA-N 1 0 262.397 2.469 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCSCCCO)cc1 ZINC000835037739 638032869 /nfs/dbraw/zinc/03/28/69/638032869.db2.gz MJFZAVMPZMJXFB-HYXAFXHYSA-N 1 0 294.464 2.471 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCOC2)cc1 ZINC000835036075 638033220 /nfs/dbraw/zinc/03/32/20/638033220.db2.gz NAHMWWUVPZHEAB-BWPKMQGJSA-N 1 0 260.381 2.392 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCCN2C)cc1 ZINC000835038925 638033736 /nfs/dbraw/zinc/03/37/36/638033736.db2.gz ZQHWQBKPEHHXSG-XQDHMALISA-N 1 0 273.424 2.450 20 10 CECDRO C[C@H](C[S@@](C)=O)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835047272 638037776 /nfs/dbraw/zinc/03/77/76/638037776.db2.gz FBHKTHQIYNADRF-MUIAWISWSA-N 1 0 294.464 2.465 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000835054206 638040681 /nfs/dbraw/zinc/04/06/81/638040681.db2.gz SLPCABPRSIOFDE-MJSXRHKHSA-N 1 0 260.381 2.126 20 10 CECDRO Cc1ccc2c(c1)OCCN2C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876669820 650391998 /nfs/dbraw/zinc/39/19/98/650391998.db2.gz YXTPQXFGHSJVED-HZRUHFOJSA-N 1 0 286.375 2.276 20 10 CECDRO COc1ccc(N(C)C(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1F ZINC000876691698 650402699 /nfs/dbraw/zinc/40/26/99/650402699.db2.gz OLBCBADNHIJYCZ-ZCRIDZFUSA-N 1 0 292.354 2.353 20 10 CECDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876757366 650422546 /nfs/dbraw/zinc/42/25/46/650422546.db2.gz CKSXTTHFHBDPKL-CYBMUJFWSA-N 1 0 295.404 2.181 20 10 CECDRO CN(C)c1ccc(NCc2cc3c(cc2O)OCO3)nc1 ZINC000150914223 639004121 /nfs/dbraw/zinc/00/41/21/639004121.db2.gz CRQPZQBSVUDJMN-UHFFFAOYSA-N 1 0 287.319 2.194 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000151077183 639192818 /nfs/dbraw/zinc/19/28/18/639192818.db2.gz LXWHAHLAEDGMAO-KRWDZBQOSA-N 1 0 290.407 2.038 20 10 CECDRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000151421297 639297063 /nfs/dbraw/zinc/29/70/63/639297063.db2.gz CCKZNNJCKSZGOT-WMLDXEAASA-N 1 0 294.439 2.437 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000164272359 639357134 /nfs/dbraw/zinc/35/71/34/639357134.db2.gz RBOLAHWWCPFDQI-AWEZNQCLSA-N 1 0 290.407 2.487 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCN(C)C[C@@H]2C(C)C)c1O ZINC000164397468 639366413 /nfs/dbraw/zinc/36/64/13/639366413.db2.gz RIJGSJLYMUAJEM-OAHLLOKOSA-N 1 0 292.423 2.481 20 10 CECDRO CC(C)C[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000058062734 639482343 /nfs/dbraw/zinc/48/23/43/639482343.db2.gz KMSQXONDCLVLKK-OAHLLOKOSA-N 1 0 289.423 2.134 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(C)cc1O ZINC000840825806 639553343 /nfs/dbraw/zinc/55/33/43/639553343.db2.gz MOTWYCXWAWUPDL-JSGCOSHPSA-N 1 0 276.380 2.268 20 10 CECDRO OC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000226608729 639556040 /nfs/dbraw/zinc/55/60/40/639556040.db2.gz ILSBBFJTYODUHU-CQSZACIVSA-N 1 0 261.296 2.355 20 10 CECDRO Cc1ccc(C[NH2+]CCCCn2ccnc2)c(O)c1 ZINC000876958445 650506160 /nfs/dbraw/zinc/50/61/60/650506160.db2.gz DDXDOMQGHJIRQS-UHFFFAOYSA-N 1 0 259.353 2.467 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)CN2CCCC2=O)c(Cl)c1 ZINC000840882974 639571271 /nfs/dbraw/zinc/57/12/71/639571271.db2.gz XNZQAKBFRSQUOI-NSHDSACASA-N 1 0 296.798 2.455 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@@H](C)CCO ZINC000840894097 639575747 /nfs/dbraw/zinc/57/57/47/639575747.db2.gz PBLFFNIXLSUARV-UONOGXRCSA-N 1 0 264.413 2.353 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](CCO)CC1CC1 ZINC000840912497 639582331 /nfs/dbraw/zinc/58/23/31/639582331.db2.gz PPSBFRUKXVAYGW-UHFFFAOYSA-N 1 0 262.397 2.265 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCn1ccnc1 ZINC000840928551 639588897 /nfs/dbraw/zinc/58/88/97/639588897.db2.gz YGVJSIHBQOQNEF-UHFFFAOYSA-N 1 0 272.396 2.437 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840930142 639589299 /nfs/dbraw/zinc/58/92/99/639589299.db2.gz JDZKOZPRVHOEPP-AWEZNQCLSA-N 1 0 291.439 2.455 20 10 CECDRO CC[C@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933237 639590295 /nfs/dbraw/zinc/59/02/95/639590295.db2.gz FXXCGIVLEFERDH-CQSZACIVSA-N 1 0 250.386 2.312 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000840949831 639597512 /nfs/dbraw/zinc/59/75/12/639597512.db2.gz CNMRCIAEKMZVPY-RHSMWYFYSA-N 1 0 292.423 2.033 20 10 CECDRO COc1cccc(C[NH2+][C@H]2C[C@H](OC)C2(C)C)c1O ZINC000227827930 639606280 /nfs/dbraw/zinc/60/62/80/639606280.db2.gz HRSSEDQWSHKVHF-STQMWFEESA-N 1 0 265.353 2.304 20 10 CECDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000840978243 639607639 /nfs/dbraw/zinc/60/76/39/639607639.db2.gz MQBPYAVYAYLSGJ-GXTWGEPZSA-N 1 0 280.387 2.485 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c(O)c1 ZINC000876967310 650511355 /nfs/dbraw/zinc/51/13/55/650511355.db2.gz FZYNUAGGOMIEGA-DLBZAZTESA-N 1 0 269.344 2.449 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCCNCc1cccnc1 ZINC000841041958 639629775 /nfs/dbraw/zinc/62/97/75/639629775.db2.gz KIJIMWSTHSTORZ-UHFFFAOYSA-N 1 0 289.354 2.196 20 10 CECDRO CN(C)c1ccc(/C=C/CNC[C@@H]([NH3+])C2CC2)cc1 ZINC000841051625 639633596 /nfs/dbraw/zinc/63/35/96/639633596.db2.gz SVVAYTBAEWVNOF-QDLOVBKTSA-N 1 0 259.397 2.093 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC[NH2+]1 ZINC000841062836 639638209 /nfs/dbraw/zinc/63/82/09/639638209.db2.gz YHLORBPXJAURFS-KCJUWKMLSA-N 1 0 272.751 2.415 20 10 CECDRO C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841065227 639640471 /nfs/dbraw/zinc/64/04/71/639640471.db2.gz ZFOQCLZYMSMPLK-BXKDBHETSA-N 1 0 254.761 2.133 20 10 CECDRO CN(C)c1ccc(CN[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC000841090881 639653737 /nfs/dbraw/zinc/65/37/37/639653737.db2.gz PHHYGUQYYYWOEE-LBPRGKRZSA-N 1 0 275.318 2.122 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@@H]([NH3+])C[C@@H]2C)c1O ZINC000229104718 639676581 /nfs/dbraw/zinc/67/65/81/639676581.db2.gz LZNIGIMYPJFGHQ-JOYOIKCWSA-N 1 0 284.787 2.366 20 10 CECDRO CCOc1ccc(O)c(CN2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000841105265 639677266 /nfs/dbraw/zinc/67/72/66/639677266.db2.gz DQNAGNDIQXPILD-MRXNPFEDSA-N 1 0 276.380 2.119 20 10 CECDRO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(Cl)cc1O ZINC000841748368 639857157 /nfs/dbraw/zinc/85/71/57/639857157.db2.gz XBISIOMNDISBJQ-RYUDHWBXSA-N 1 0 298.814 2.417 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccccc1O ZINC000841765336 639861291 /nfs/dbraw/zinc/86/12/91/639861291.db2.gz PPCSOUJHDPBDCQ-MNOVXSKESA-N 1 0 270.323 2.382 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(CC(F)F)C2)c1 ZINC000841893675 639901480 /nfs/dbraw/zinc/90/14/80/639901480.db2.gz HVLGJXCOMRNFQP-GFCCVEGCSA-N 1 0 270.323 2.130 20 10 CECDRO OC[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000083445578 639912085 /nfs/dbraw/zinc/91/20/85/639912085.db2.gz ILSBBFJTYODUHU-AWEZNQCLSA-N 1 0 261.296 2.355 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H]3CO[C@H](C)C3)CC2)cc1 ZINC000842673333 640145616 /nfs/dbraw/zinc/14/56/16/640145616.db2.gz JNMBPRCQGADIHB-HIFRSBDPSA-N 1 0 290.407 2.431 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H]3CO[C@@H](C)C3)CC2)cc1 ZINC000842673332 640145875 /nfs/dbraw/zinc/14/58/75/640145875.db2.gz JNMBPRCQGADIHB-DZGCQCFKSA-N 1 0 290.407 2.431 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CO[C@H](C)C3)C2)cc1 ZINC000842713888 640156864 /nfs/dbraw/zinc/15/68/64/640156864.db2.gz JYQPDLKOCCQTQD-RBSFLKMASA-N 1 0 290.407 2.289 20 10 CECDRO CC(C)(C[NH2+]Cc1cc(Cl)ccc1O)[C@@]1(O)CCOC1 ZINC000842757842 640171492 /nfs/dbraw/zinc/17/14/92/640171492.db2.gz AWCAMEAVWNZIFZ-OAHLLOKOSA-N 1 0 299.798 2.313 20 10 CECDRO COc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1C ZINC000842759571 640172250 /nfs/dbraw/zinc/17/22/50/640172250.db2.gz XRKPXRJWJCTBTQ-QGZVFWFLSA-N 1 0 293.407 2.271 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CCS[C@@H]1C ZINC000842779914 640180470 /nfs/dbraw/zinc/18/04/70/640180470.db2.gz SUPGQCLCSWXSHT-KOLCDFICSA-N 1 0 253.367 2.384 20 10 CECDRO Cn1cnc(CC[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000313308731 640201260 /nfs/dbraw/zinc/20/12/60/640201260.db2.gz UURORULWRPNCJZ-UHFFFAOYSA-N 1 0 265.744 2.111 20 10 CECDRO CCCN(Cc1cccc(F)c1O)[C@@H]1CC[NH2+]C1 ZINC000843051624 640255130 /nfs/dbraw/zinc/25/51/30/640255130.db2.gz AHIIHKCSQYMGTG-GFCCVEGCSA-N 1 0 252.333 2.105 20 10 CECDRO COc1cccc(O)c1CN1CCC([NH2+]CC2CC2)CC1 ZINC000843054655 640257524 /nfs/dbraw/zinc/25/75/24/640257524.db2.gz ZQOXEWWVJHRQPJ-UHFFFAOYSA-N 1 0 290.407 2.365 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000843054522 640257734 /nfs/dbraw/zinc/25/77/34/640257734.db2.gz QDDSUXHDJUVOMV-KGLIPLIRSA-N 1 0 277.387 2.218 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000843128379 640295204 /nfs/dbraw/zinc/29/52/04/640295204.db2.gz WZDUGRNAEFMYIT-ZBPSDOBBSA-N 1 0 285.435 2.450 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c(O)c1 ZINC000843129871 640296542 /nfs/dbraw/zinc/29/65/42/640296542.db2.gz SHIIGFHECYENIL-QWRGUYRKSA-N 1 0 252.358 2.006 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843353955 640400254 /nfs/dbraw/zinc/40/02/54/640400254.db2.gz RUQGEWPQYLFFLR-ZYHUDNBSSA-N 1 0 294.370 2.293 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2COC[C@H]2C2CC2)c1O ZINC000914432974 640404075 /nfs/dbraw/zinc/40/40/75/640404075.db2.gz INOWKGZQEBAZQS-KBPBESRZSA-N 1 0 277.364 2.306 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc1F ZINC000914433417 640405133 /nfs/dbraw/zinc/40/51/33/640405133.db2.gz PANOEUPOHKGSHV-DZGCQCFKSA-N 1 0 278.371 2.406 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000877120802 650581396 /nfs/dbraw/zinc/58/13/96/650581396.db2.gz IVDNZIATCANTMX-CQSZACIVSA-N 1 0 283.375 2.464 20 10 CECDRO Cc1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)c(O)c1 ZINC000877119846 650581688 /nfs/dbraw/zinc/58/16/88/650581688.db2.gz AZYSTKINZYYUDU-UHFFFAOYSA-N 1 0 297.420 2.005 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000877121242 650581732 /nfs/dbraw/zinc/58/17/32/650581732.db2.gz MEBYVCMLNSCXGH-UHFFFAOYSA-N 1 0 297.420 2.005 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000877132960 650588147 /nfs/dbraw/zinc/58/81/47/650588147.db2.gz SBUOCHRJQMMWKE-XJKSGUPXSA-N 1 0 277.364 2.128 20 10 CECDRO Cc1ccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c(O)c1 ZINC000877133451 650589072 /nfs/dbraw/zinc/58/90/72/650589072.db2.gz BIZLSRHBWVUQNP-AWEZNQCLSA-N 1 0 277.364 2.476 20 10 CECDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877145744 650593836 /nfs/dbraw/zinc/59/38/36/650593836.db2.gz BJHYLUPLBJQXKU-RYUDHWBXSA-N 1 0 264.369 2.093 20 10 CECDRO CS[C@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844163327 640621131 /nfs/dbraw/zinc/62/11/31/640621131.db2.gz YZIXQPUVHOVVDC-RISCZKNCSA-N 1 0 295.452 2.010 20 10 CECDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877147674 650594816 /nfs/dbraw/zinc/59/48/16/650594816.db2.gz ZIBMZWJXLFCKPX-NWDGAFQWSA-N 1 0 264.369 2.093 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CCOC(C)C)cc1 ZINC000844398787 640707029 /nfs/dbraw/zinc/70/70/29/640707029.db2.gz CLWFQJZQIXNCON-UHFFFAOYSA-N 1 0 280.412 2.488 20 10 CECDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000846019517 641154871 /nfs/dbraw/zinc/15/48/71/641154871.db2.gz ZRFRHRURFPBZRN-BXUZGUMPSA-N 1 0 267.369 2.288 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2COC)cc1 ZINC000846048175 641164653 /nfs/dbraw/zinc/16/46/53/641164653.db2.gz XPCJTLRHDMBOAL-DLBZAZTESA-N 1 0 292.423 2.114 20 10 CECDRO C[C@@H](CCO)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000846110605 641185371 /nfs/dbraw/zinc/18/53/71/641185371.db2.gz IVVXOVKCSBEUMF-GJBLVYBDSA-N 1 0 262.397 2.469 20 10 CECDRO C[C@@H](CCO)[N@H+](C)Cc1cc(Br)ccc1O ZINC000846113068 641187163 /nfs/dbraw/zinc/18/71/63/641187163.db2.gz YTHJVCVGMQCICE-VIFPVBQESA-N 1 0 288.185 2.357 20 10 CECDRO C[C@H](CCO)[N@H+](C)Cc1cc(Br)ccc1O ZINC000846113067 641187367 /nfs/dbraw/zinc/18/73/67/641187367.db2.gz YTHJVCVGMQCICE-SECBINFHSA-N 1 0 288.185 2.357 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846112851 641187389 /nfs/dbraw/zinc/18/73/89/641187389.db2.gz TVPNERYWZNWJQG-PHIMTYICSA-N 1 0 255.264 2.098 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN2C)c1O ZINC000846142208 641198639 /nfs/dbraw/zinc/19/86/39/641198639.db2.gz DFQJEPNWQLGGAU-VXGBXAGGSA-N 1 0 264.369 2.146 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCN2C)c1O ZINC000846142205 641198929 /nfs/dbraw/zinc/19/89/29/641198929.db2.gz DFQJEPNWQLGGAU-NWDGAFQWSA-N 1 0 264.369 2.146 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1O ZINC000846145797 641201522 /nfs/dbraw/zinc/20/15/22/641201522.db2.gz PGZMMEUHSNGPTL-UHTWSYAYSA-N 1 0 265.353 2.355 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)C[C@H](C)O)c1O ZINC000846145145 641202309 /nfs/dbraw/zinc/20/23/09/641202309.db2.gz MYINUAQMRMBVGF-WOPDTQHZSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC(=O)NC2CCCC2)c1O ZINC000846150267 641202871 /nfs/dbraw/zinc/20/28/71/641202871.db2.gz COXFQHXPYCZPTG-LLVKDONJSA-N 1 0 292.379 2.110 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](CO)CC2CC2)c1O ZINC000846157377 641206644 /nfs/dbraw/zinc/20/66/44/641206644.db2.gz MARSSZCLNNVSBG-JQWIXIFHSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)c1O ZINC000846165081 641209334 /nfs/dbraw/zinc/20/93/34/641209334.db2.gz KOIFMHIGLKRZOT-NTZNESFSSA-N 1 0 265.353 2.476 20 10 CECDRO COC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@H]1CCCO1 ZINC000846167583 641210924 /nfs/dbraw/zinc/21/09/24/641210924.db2.gz LAMLJILOGNGODE-KWCYVHTRSA-N 1 0 295.379 2.245 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)CCCO)c1O ZINC000846170553 641211454 /nfs/dbraw/zinc/21/14/54/641211454.db2.gz OTKZQMGRITVHJP-NEPJUHHUSA-N 1 0 267.369 2.460 20 10 CECDRO CC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000846190481 641217514 /nfs/dbraw/zinc/21/75/14/641217514.db2.gz QIFQZSNUCAOYAX-VNHYZAJKSA-N 1 0 275.396 2.057 20 10 CECDRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(N(C)C)cc1 ZINC000846214250 641225595 /nfs/dbraw/zinc/22/55/95/641225595.db2.gz LJEDTOAZYSDCRG-RHSMWYFYSA-N 1 0 292.423 2.335 20 10 CECDRO CC[NH+](CC)C[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000921117925 641227920 /nfs/dbraw/zinc/22/79/20/641227920.db2.gz GDCBTQUKGRSXMZ-ZDUSSCGKSA-N 1 0 293.411 2.264 20 10 CECDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccccc1O ZINC000188930874 641399428 /nfs/dbraw/zinc/39/94/28/641399428.db2.gz BKOHSBCTBKJUOB-INIZCTEOSA-N 1 0 271.360 2.394 20 10 CECDRO Cc1cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)ccc1N(C)C ZINC000846920103 641482886 /nfs/dbraw/zinc/48/28/86/641482886.db2.gz FPOPTQYJVNNULJ-OAHLLOKOSA-N 1 0 289.423 2.114 20 10 CECDRO COc1cccc(C[NH2+]CC2(OC)CCC2)c1O ZINC000181082657 641505680 /nfs/dbraw/zinc/50/56/80/641505680.db2.gz XNTYDVCDFOVIEA-UHFFFAOYSA-N 1 0 251.326 2.060 20 10 CECDRO COC[C@H](O)C[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000071263820 641731686 /nfs/dbraw/zinc/73/16/86/641731686.db2.gz FTTNODWOTYFZCO-QGZVFWFLSA-N 1 0 288.391 2.191 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccnn2C)c1 ZINC000184011804 641827803 /nfs/dbraw/zinc/82/78/03/641827803.db2.gz OHILMZFQZPQJIK-GFCCVEGCSA-N 1 0 259.353 2.327 20 10 CECDRO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185330461 641966178 /nfs/dbraw/zinc/96/61/78/641966178.db2.gz ATHOBWJJPVMVBB-GXTWGEPZSA-N 1 0 296.386 2.293 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)CSC)c1 ZINC000185530365 641989851 /nfs/dbraw/zinc/98/98/51/641989851.db2.gz BIRAITGTEBUKGF-GHMZBOCLSA-N 1 0 285.409 2.165 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1O ZINC000848886421 642172224 /nfs/dbraw/zinc/17/22/24/642172224.db2.gz FGROLYTUMQTHSD-VXGBXAGGSA-N 1 0 299.436 2.208 20 10 CECDRO CCc1cccc(C[NH2+]CCOC[C@H]2CCCO2)c1O ZINC000848896748 642176801 /nfs/dbraw/zinc/17/68/01/642176801.db2.gz ILHAXPPQQHUEQC-OAHLLOKOSA-N 1 0 279.380 2.240 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@]2(N(C)C)CCSC2)c1O ZINC000848897433 642177030 /nfs/dbraw/zinc/17/70/30/642177030.db2.gz ITAWVKPECSRQRW-INIZCTEOSA-N 1 0 294.464 2.482 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1O ZINC000848913213 642186989 /nfs/dbraw/zinc/18/69/89/642186989.db2.gz RGJIPCCZQQGIBC-ZDUSSCGKSA-N 1 0 285.334 2.404 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000848926054 642196507 /nfs/dbraw/zinc/19/65/07/642196507.db2.gz KGUDTURZCBVRHK-LLVKDONJSA-N 1 0 295.379 2.468 20 10 CECDRO [NH2+]=C(NCc1cc(Cl)ccc1O)NCC1CCC1 ZINC000849049572 642258475 /nfs/dbraw/zinc/25/84/75/642258475.db2.gz SAXPOBGOXMKJFQ-UHFFFAOYSA-N 1 0 267.760 2.460 20 10 CECDRO Cc1cccc(O)c1C[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000877484413 650743495 /nfs/dbraw/zinc/74/34/95/650743495.db2.gz ALBNQRVOJRRVCW-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO Cc1nnc2n1C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000921633470 642290156 /nfs/dbraw/zinc/29/01/56/642290156.db2.gz PJLHRCGFAVIISG-OAHLLOKOSA-N 1 0 298.390 2.016 20 10 CECDRO Nc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000849353100 642341801 /nfs/dbraw/zinc/34/18/01/642341801.db2.gz YQXRHZWKFOZGCU-CQSZACIVSA-N 1 0 298.342 2.480 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000877485875 650744687 /nfs/dbraw/zinc/74/46/87/650744687.db2.gz BMROHJBTOVITQN-CJNGLKHVSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000877487088 650745675 /nfs/dbraw/zinc/74/56/75/650745675.db2.gz UQZVMEZTZKNZEF-ZQIUZPCESA-N 1 0 291.391 2.469 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCCN(C(C)=O)C2)cc1C ZINC000998336545 642389508 /nfs/dbraw/zinc/38/95/08/642389508.db2.gz HIJPFQVXBORZIO-HNNXBMFYSA-N 1 0 276.380 2.104 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c(O)c1 ZINC000877504065 650754527 /nfs/dbraw/zinc/75/45/27/650754527.db2.gz FSGCJKRMOYJPRT-CYBMUJFWSA-N 1 0 298.390 2.452 20 10 CECDRO Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c(O)c1 ZINC000877516144 650761034 /nfs/dbraw/zinc/76/10/34/650761034.db2.gz BPNDSLXQLVCEHR-GDBMZVCRSA-N 1 0 277.364 2.080 20 10 CECDRO COc1cc(C[NH2+][C@H](C)CC(N)=O)c(O)c(C(C)(C)C)c1 ZINC000850197077 642614941 /nfs/dbraw/zinc/61/49/41/642614941.db2.gz KCKDASMERDFHMZ-SNVBAGLBSA-N 1 0 294.395 2.052 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000850341139 642672067 /nfs/dbraw/zinc/67/20/67/642672067.db2.gz AEBWTCWDICUZJG-JTQLQIEISA-N 1 0 251.326 2.058 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCO[C@@H]3C)C2)cc1 ZINC000850347761 642675179 /nfs/dbraw/zinc/67/51/79/642675179.db2.gz WVNSRXWXGHGIJU-WWGRRREGSA-N 1 0 276.380 2.041 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]CC3=CCCOC3)C2)cc1 ZINC000850347715 642675264 /nfs/dbraw/zinc/67/52/64/642675264.db2.gz WPJZGDQWLHXDBM-HNNXBMFYSA-N 1 0 288.391 2.210 20 10 CECDRO COC[C@@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)OC ZINC000850345996 642675722 /nfs/dbraw/zinc/67/57/22/642675722.db2.gz PDRCKMDVLIVCMJ-CYBMUJFWSA-N 1 0 284.375 2.033 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCCOC3)C2)cc1 ZINC000850346266 642675769 /nfs/dbraw/zinc/67/57/69/642675769.db2.gz DLNTYRRGFKDSOW-GJZGRUSLSA-N 1 0 290.407 2.290 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1C ZINC000850352528 642678813 /nfs/dbraw/zinc/67/88/13/642678813.db2.gz ZSOJBHISONZIGT-DGCLKSJQSA-N 1 0 272.352 2.396 20 10 CECDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850382100 642692393 /nfs/dbraw/zinc/69/23/93/642692393.db2.gz NJHXVVDRCDMCHH-DOTOQJQBSA-N 1 0 290.407 2.038 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CO)CC2CC2)c1 ZINC000850388022 642695564 /nfs/dbraw/zinc/69/55/64/642695564.db2.gz FYSINALZAMOTET-CYBMUJFWSA-N 1 0 279.380 2.289 20 10 CECDRO CO[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)[C@H]1CCOC1 ZINC000850484236 642728914 /nfs/dbraw/zinc/72/89/14/642728914.db2.gz FPTVYNTYLXHXLD-DVOMOZLQSA-N 1 0 279.380 2.403 20 10 CECDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1O)[C@H]1CCOC1 ZINC000850484290 642728959 /nfs/dbraw/zinc/72/89/59/642728959.db2.gz GKEYJPUYBQXPCU-TYNCELHUSA-N 1 0 265.353 2.094 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000850547453 642748112 /nfs/dbraw/zinc/74/81/12/642748112.db2.gz GJEJJAQFSGGYFJ-GFCCVEGCSA-N 1 0 280.368 2.358 20 10 CECDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922183185 642941098 /nfs/dbraw/zinc/94/10/98/642941098.db2.gz ARABCGYWFJGFKT-GFCCVEGCSA-N 1 0 276.380 2.014 20 10 CECDRO COc1ccc(N(C)CC(C)(C)[NH+]2CCOCC2)cc1 ZINC000877609590 650813193 /nfs/dbraw/zinc/81/31/93/650813193.db2.gz MDMNONHUNKGBTG-UHFFFAOYSA-N 1 0 278.396 2.242 20 10 CECDRO Cc1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c(O)c1 ZINC000877622450 650817750 /nfs/dbraw/zinc/81/77/50/650817750.db2.gz NPXASMZZWXCXRK-LJQANCHMSA-N 1 0 295.326 2.101 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc1 ZINC000922723919 643230477 /nfs/dbraw/zinc/23/04/77/643230477.db2.gz QPNLIFKBZJRPMZ-UXLLHSPISA-N 1 0 272.392 2.433 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCS1 ZINC000922843104 643290148 /nfs/dbraw/zinc/29/01/48/643290148.db2.gz PJJXGIPKGAXDBD-MWLCHTKSSA-N 1 0 281.377 2.495 20 10 CECDRO COc1ccc(O)c(C[NH2+]C2CC(OC(C)C)C2)c1 ZINC000186594738 643309674 /nfs/dbraw/zinc/30/96/74/643309674.db2.gz QFVCJQRHHWAKCY-UHFFFAOYSA-N 1 0 265.353 2.446 20 10 CECDRO COC(=O)c1[nH]c(C[NH2+]Cc2cc(C)ccc2O)cc1C ZINC000877652499 650834714 /nfs/dbraw/zinc/83/47/14/650834714.db2.gz IQBNBSCJCDJWTI-UHFFFAOYSA-N 1 0 288.347 2.414 20 10 CECDRO CO[C@@]1(CO)CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000852408503 643418257 /nfs/dbraw/zinc/41/82/57/643418257.db2.gz BJNNDRYUKXMFMY-KRWDZBQOSA-N 1 0 292.423 2.034 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)cc1 ZINC000852557986 643471665 /nfs/dbraw/zinc/47/16/65/643471665.db2.gz DKGHQKRJMIVTTO-CZUORRHYSA-N 1 0 262.397 2.488 20 10 CECDRO O=C(C=C1CC[NH2+]CC1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000852860150 643581047 /nfs/dbraw/zinc/58/10/47/643581047.db2.gz LFEIZYBLLJYPPV-HNNXBMFYSA-N 1 0 297.402 2.312 20 10 CECDRO COC(=O)c1coc(C[NH2+]Cc2c(O)cccc2OC)c1 ZINC000877699845 650857173 /nfs/dbraw/zinc/85/71/73/650857173.db2.gz WWLQKELELZQXCP-UHFFFAOYSA-N 1 0 291.303 2.070 20 10 CECDRO Cc1cc(CN2CCC[C@H]3[NH2+]CC[C@@H]32)ccc1N(C)C ZINC000923417068 643699010 /nfs/dbraw/zinc/69/90/10/643699010.db2.gz UEDLJESNNGTWQC-WBVHZDCISA-N 1 0 273.424 2.387 20 10 CECDRO CC[C@@](C)(C[NH2+]Cc1c(O)cccc1OC)OC ZINC000824744077 643789711 /nfs/dbraw/zinc/78/97/11/643789711.db2.gz ZARHMKNLVZJEAY-AWEZNQCLSA-N 1 0 253.342 2.306 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c1O ZINC000853566127 643814037 /nfs/dbraw/zinc/81/40/37/643814037.db2.gz MCXDFDXPAFBRGS-XJKSGUPXSA-N 1 0 277.364 2.178 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000877729781 650876027 /nfs/dbraw/zinc/87/60/27/650876027.db2.gz ZSTQSSHCZZDEME-AWEZNQCLSA-N 1 0 295.354 2.207 20 10 CECDRO CCN(C)c1ccc(C[NH2+][C@@](C)(C(N)=O)C(C)C)cc1 ZINC000839007331 644122386 /nfs/dbraw/zinc/12/23/86/644122386.db2.gz GNZVZWNYSLAWMM-MRXNPFEDSA-N 1 0 277.412 2.132 20 10 CECDRO C[C@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1ccccc1O ZINC000877757958 650900080 /nfs/dbraw/zinc/90/00/80/650900080.db2.gz AQMYGQUXRCPCIQ-NSHDSACASA-N 1 0 286.331 2.409 20 10 CECDRO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839495665 644240904 /nfs/dbraw/zinc/24/09/04/644240904.db2.gz UALSJOLRPLHLDJ-ZIAGYGMSSA-N 1 0 289.423 2.099 20 10 CECDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113326921 644355402 /nfs/dbraw/zinc/35/54/02/644355402.db2.gz UIOJXEXZINSIAP-CYBMUJFWSA-N 1 0 268.376 2.388 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)cc1 ZINC000877835926 650928798 /nfs/dbraw/zinc/92/87/98/650928798.db2.gz ZDMYYADZLPXGLN-CQSZACIVSA-N 1 0 262.397 2.345 20 10 CECDRO CNC(=O)CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756483581 644653054 /nfs/dbraw/zinc/65/30/54/644653054.db2.gz PADHCWHQIXVZLS-KOLCDFICSA-N 1 0 280.343 2.195 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1cc(Cl)ccc1O ZINC000756533543 644659764 /nfs/dbraw/zinc/65/97/64/644659764.db2.gz IOMJWCFLJDVCFQ-KOLCDFICSA-N 1 0 254.761 2.400 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c(O)c1C ZINC000756544477 644661850 /nfs/dbraw/zinc/66/18/50/644661850.db2.gz ISDYYOKZPGSMFO-ZFWWWQNUSA-N 1 0 292.423 2.380 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOC[C@@H]2CCOC2)c1 ZINC000756564206 644667420 /nfs/dbraw/zinc/66/74/20/644667420.db2.gz RIQGVGMXKVXKRW-UONOGXRCSA-N 1 0 279.380 2.404 20 10 CECDRO CC[S@](=O)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756578041 644671499 /nfs/dbraw/zinc/67/14/99/644671499.db2.gz VQAUDESUXOXYQY-XLFHBGCDSA-N 1 0 275.801 2.465 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)CC2CC2)c1 ZINC000756768662 644690405 /nfs/dbraw/zinc/69/04/05/644690405.db2.gz FXXLYPGOPZJIIW-CMPLNLGQSA-N 1 0 265.353 2.212 20 10 CECDRO C[C@@H](O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756765063 644690649 /nfs/dbraw/zinc/69/06/49/644690649.db2.gz NHYWLOHTPRVLCN-FXPVBKGRSA-N 1 0 253.317 2.440 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)c2c1c(F)ccc2O ZINC000757630975 644827839 /nfs/dbraw/zinc/82/78/39/644827839.db2.gz AZUVSIXVRSFAPJ-SKDRFNHKSA-N 1 0 292.354 2.195 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)Cc2ccc(OC)nc2)c1 ZINC000757918195 644856983 /nfs/dbraw/zinc/85/69/83/644856983.db2.gz XLXQRBJSVRQKRU-UHFFFAOYSA-N 1 0 288.347 2.436 20 10 CECDRO COc1cccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c1O ZINC000758563514 644941365 /nfs/dbraw/zinc/94/13/65/644941365.db2.gz VYMQGBMQWNCQIN-ZDUSSCGKSA-N 1 0 285.343 2.363 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2cncn2C)c(Cl)c1 ZINC000857782909 644967431 /nfs/dbraw/zinc/96/74/31/644967431.db2.gz JGUJCTJAEURORE-UHFFFAOYSA-N 1 0 279.771 2.420 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCOC[C@@H]2OCC)c1O ZINC000759172223 644991698 /nfs/dbraw/zinc/99/16/98/644991698.db2.gz DRASEBJLHSPZQV-ZFWWWQNUSA-N 1 0 295.379 2.075 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H](O)c2ccco2)cc1F ZINC000858092564 645058255 /nfs/dbraw/zinc/05/82/55/645058255.db2.gz FTKBYMSFBIGFFX-CQSZACIVSA-N 1 0 296.317 2.447 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CCc2cnn(C)c2)cc1F ZINC000858102020 645061492 /nfs/dbraw/zinc/06/14/92/645061492.db2.gz OFVJJHQODGBZST-UHFFFAOYSA-N 1 0 294.349 2.097 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)cc1 ZINC000858226747 645092506 /nfs/dbraw/zinc/09/25/06/645092506.db2.gz PGIZVKAMCLKAGQ-IAGOWNOFSA-N 1 0 292.423 2.162 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C(=O)N(C)OC)cc1 ZINC000858325880 645119283 /nfs/dbraw/zinc/11/92/83/645119283.db2.gz QBPYZACOWRCCQI-CYBMUJFWSA-N 1 0 293.411 2.031 20 10 CECDRO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Cl)ccc1O ZINC000858434451 645157274 /nfs/dbraw/zinc/15/72/74/645157274.db2.gz HEGFRFHJATTWAY-JOYOIKCWSA-N 1 0 295.770 2.163 20 10 CECDRO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccccc1O ZINC000763558442 645557438 /nfs/dbraw/zinc/55/74/38/645557438.db2.gz PNICNWADXJXHPG-DOMZBBRYSA-N 1 0 279.380 2.220 20 10 CECDRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000765728638 645803356 /nfs/dbraw/zinc/80/33/56/645803356.db2.gz NOFQTORRCMGKMH-GJZGRUSLSA-N 1 0 291.439 2.124 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000765769588 645806864 /nfs/dbraw/zinc/80/68/64/645806864.db2.gz LHVHGFBIGZGCMC-ZBFHGGJFSA-N 1 0 261.413 2.497 20 10 CECDRO C[C@@H](CC(N)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000765791432 645811063 /nfs/dbraw/zinc/81/10/63/645811063.db2.gz RIXGLCICHNIFLC-LBPRGKRZSA-N 1 0 284.359 2.413 20 10 CECDRO CC(=O)OC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000127029014 651055179 /nfs/dbraw/zinc/05/51/79/651055179.db2.gz NTMVQPSAGYXCRU-UHFFFAOYSA-N 1 0 294.370 2.419 20 10 CECDRO C[C@@H]([NH2+]CCNc1cnccn1)c1ccc(N(C)C)cc1 ZINC000766591129 645903341 /nfs/dbraw/zinc/90/33/41/645903341.db2.gz NNMITWITKLOZHT-CYBMUJFWSA-N 1 0 285.395 2.305 20 10 CECDRO CC[C@H](C)C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444401 646123668 /nfs/dbraw/zinc/12/36/68/646123668.db2.gz AUOSGEKOHYULEF-IINYFYTJSA-N 1 0 265.353 2.296 20 10 CECDRO CC[C@@H](C)C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444404 646123920 /nfs/dbraw/zinc/12/39/20/646123920.db2.gz AUOSGEKOHYULEF-YGRLFVJLSA-N 1 0 265.353 2.296 20 10 CECDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)C2)c(O)cc1C ZINC000768446388 646124033 /nfs/dbraw/zinc/12/40/33/646124033.db2.gz NOFGUVBOHGNCJR-CQSZACIVSA-N 1 0 278.396 2.235 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CCC(C(F)F)CC1)[C@H](O)CO2 ZINC000768463368 646126963 /nfs/dbraw/zinc/12/69/63/646126963.db2.gz SCRAZICBDFAELP-CYBMUJFWSA-N 1 0 299.317 2.295 20 10 CECDRO C[NH+]1CCC2(CCCN2C(=O)C2=CC(=O)CS2)CC1 ZINC000768840070 646171932 /nfs/dbraw/zinc/17/19/32/646171932.db2.gz IAODFRHJURKYOF-UHFFFAOYSA-N 1 0 280.393 2.154 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)cc1F ZINC000769332371 646246852 /nfs/dbraw/zinc/24/68/52/646246852.db2.gz AXQHQUCGVFNLNN-ZDUSSCGKSA-N 1 0 280.387 2.486 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CCO)C2)cc1F ZINC000769332370 646247229 /nfs/dbraw/zinc/24/72/29/646247229.db2.gz AXQHQUCGVFNLNN-CYBMUJFWSA-N 1 0 280.387 2.486 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861700645 646250076 /nfs/dbraw/zinc/25/00/76/646250076.db2.gz HJXUIGFGZXWGPC-GXTWGEPZSA-N 1 0 291.395 2.064 20 10 CECDRO CCOc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 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COc1ccc(O)c(C[NH2+][C@@H](CO)CCC(C)C)c1 ZINC000862481117 646475070 /nfs/dbraw/zinc/47/50/70/646475070.db2.gz SHARPPBRMVUJHZ-CYBMUJFWSA-N 1 0 267.369 2.288 20 10 CECDRO CCOc1ccc(CN2CCO[C@@H](CCF)C2)c(O)c1 ZINC000862530122 646485240 /nfs/dbraw/zinc/48/52/40/646485240.db2.gz IZQUGMFMQISUKB-AWEZNQCLSA-N 1 0 283.343 2.351 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773130265 646709479 /nfs/dbraw/zinc/70/94/79/646709479.db2.gz HUAXDAGWXJSHSI-APHBMKBZSA-N 1 0 289.423 2.318 20 10 CECDRO CCOc1ccc(O)c(CN[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863484763 646740848 /nfs/dbraw/zinc/74/08/48/646740848.db2.gz LVAVVWFNKCRKCP-WCQYABFASA-N 1 0 264.369 2.021 20 10 CECDRO CCn1nnc(C)c1CN1CCCc2cc(C[NH3+])ccc21 ZINC000863539520 646750319 /nfs/dbraw/zinc/75/03/19/646750319.db2.gz DTGYCMAXFKVSFM-UHFFFAOYSA-N 1 0 285.395 2.018 20 10 CECDRO CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(F)cc1[O-] ZINC000863542159 646751921 /nfs/dbraw/zinc/75/19/21/646751921.db2.gz SHYTVBWLAIXUOK-ZDUSSCGKSA-N 1 0 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Cc1cc(Br)c(O)c(CN2CC[NH2+][C@H](C)C2)c1 ZINC000781894703 647569674 /nfs/dbraw/zinc/56/96/74/647569674.db2.gz LNOVKRBIUQLJRK-SNVBAGLBSA-N 1 0 299.212 2.257 20 10 CECDRO C[C@H]([NH2+]CCCNc1ncccn1)c1ccccc1O ZINC000783519491 647723693 /nfs/dbraw/zinc/72/36/93/647723693.db2.gz LUCPDNMBDJBQKA-LBPRGKRZSA-N 1 0 272.352 2.335 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1 ZINC000866412305 647777580 /nfs/dbraw/zinc/77/75/80/647777580.db2.gz HAXBEYJBTCPYPH-KBPBESRZSA-N 1 0 292.423 2.196 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CCCCO)c2c1c(F)ccc2O ZINC000786939685 648058329 /nfs/dbraw/zinc/05/83/29/648058329.db2.gz DZEFLXKQHLYTJX-ONGXEEELSA-N 1 0 253.317 2.442 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)[C@H]1C ZINC000787243380 648089953 /nfs/dbraw/zinc/08/99/53/648089953.db2.gz WJXUJEUAIYUQSH-AAEUAGOBSA-N 1 0 293.363 2.093 20 10 CECDRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)c1ccccc1O ZINC000868353620 648105634 /nfs/dbraw/zinc/10/56/34/648105634.db2.gz MWWFFNWIKVJPSX-CHWSQXEVSA-N 1 0 293.411 2.483 20 10 CECDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1O ZINC000868374391 648110883 /nfs/dbraw/zinc/11/08/83/648110883.db2.gz RBMHRNRPSHHQQW-RWMBFGLXSA-N 1 0 291.395 2.235 20 10 CECDRO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000788866883 648230950 /nfs/dbraw/zinc/23/09/50/648230950.db2.gz IWEMURGBFMRVKM-UHFFFAOYSA-N 1 0 286.379 2.347 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000792203399 648625455 /nfs/dbraw/zinc/62/54/55/648625455.db2.gz RXGLIZNBEBLNSF-ZIAGYGMSSA-N 1 0 275.348 2.053 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccnn2C(C)C)c1 ZINC000792981988 648694848 /nfs/dbraw/zinc/69/48/48/648694848.db2.gz KKFJPZQCOXUQTB-UHFFFAOYSA-N 1 0 275.352 2.468 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1COC[C@@H]1OC)c1ccc(C)cc1O ZINC000840826255 648776544 /nfs/dbraw/zinc/77/65/44/648776544.db2.gz JACBOJSUWBZUGS-NFAWXSAZSA-N 1 0 265.353 2.155 20 10 CECDRO C[C@@H](NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)c1ccccc1O ZINC000870988492 648971137 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CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649032 651335464 /nfs/dbraw/zinc/33/54/64/651335464.db2.gz JURGEQLKMRCNIW-IJLUTSLNSA-N 1 0 264.369 2.346 20 10 CECDRO C[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccccc1O ZINC000879651275 651335712 /nfs/dbraw/zinc/33/57/12/651335712.db2.gz PTDRFRAHGXQNJA-VIFPVBQESA-N 1 0 290.285 2.064 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1ccccc1O ZINC000879650912 651335864 /nfs/dbraw/zinc/33/58/64/651335864.db2.gz WLEWJUVRPTZGFJ-WDEREUQCSA-N 1 0 261.321 2.139 20 10 CECDRO COc1ccc(C[NH2+]CC[C@H](C)[S@@](C)=O)cc1C ZINC000129363862 651932535 /nfs/dbraw/zinc/93/25/35/651932535.db2.gz JPUGFMXMKOEVIX-SGTLLEGYSA-N 1 0 269.410 2.250 20 10 CECDRO CSCC[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000130768587 652330963 /nfs/dbraw/zinc/33/09/63/652330963.db2.gz MKUSECKVMMBCDB-SECBINFHSA-N 1 0 269.366 2.352 20 10 CECDRO CC[S@](=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000130854285 652349186 /nfs/dbraw/zinc/34/91/86/652349186.db2.gz XBMODZUKVDQZFR-KPZWWZAWSA-N 1 0 268.426 2.172 20 10 CECDRO COc1ccc(O)c(C[NH+]2CCC(OC)CC2)c1 ZINC000132143255 652498677 /nfs/dbraw/zinc/49/86/77/652498677.db2.gz DWTNSQIXHNBMHJ-UHFFFAOYSA-N 1 0 251.326 2.012 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000132222494 652506256 /nfs/dbraw/zinc/50/62/56/652506256.db2.gz LYEWKCMUKXMELX-CABCVRRESA-N 1 0 259.397 2.079 20 10 CECDRO Cc1ccc(C(=O)OCCC[NH+]2CCCCC2)c(O)c1O ZINC000800158346 652666163 /nfs/dbraw/zinc/66/61/63/652666163.db2.gz PTXFDRKGJDZYJF-UHFFFAOYSA-N 1 0 293.363 2.439 20 10 CECDRO Oc1ccccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000133964817 652751454 /nfs/dbraw/zinc/75/14/54/652751454.db2.gz CMCCUNZCMHRFMW-CQSZACIVSA-N 1 0 277.364 2.210 20 10 CECDRO COc1ccc(N(C)C[C@H]2CC[NH2+]C2)cc1Cl ZINC000215272251 652843983 /nfs/dbraw/zinc/84/39/83/652843983.db2.gz HPIHEPQTMLCENL-JTQLQIEISA-N 1 0 254.761 2.394 20 10 CECDRO C[C@@]1([NH3+])CCN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001204801093 806105220 /nfs/dbraw/zinc/10/52/20/806105220.db2.gz JEGQXGFFLKERSK-GFCCVEGCSA-N 1 0 274.286 2.334 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@H]3C)CC2)c(OC)c1 ZINC001209426380 802522602 /nfs/dbraw/zinc/52/26/02/802522602.db2.gz KEYIWQIRUAWVFF-ZIAGYGMSSA-N 1 0 290.407 2.482 20 10 CECDRO Cc1ccc(C)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC001140179785 802669270 /nfs/dbraw/zinc/66/92/70/802669270.db2.gz PAZYEWFIJXCAHE-CQSZACIVSA-N 1 0 260.381 2.289 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCCS(C)(=O)=O)c1 ZINC000710303221 809986405 /nfs/dbraw/zinc/98/64/05/809986405.db2.gz OQPODIPXYKWZGW-GFCCVEGCSA-N 1 0 285.409 2.176 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCOC2CCC2)c1 ZINC000690705055 802820010 /nfs/dbraw/zinc/82/00/10/802820010.db2.gz PJOOBYPETCVLGB-UHFFFAOYSA-N 1 0 251.326 2.060 20 10 CECDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CO1 ZINC000402293433 802824842 /nfs/dbraw/zinc/82/48/42/802824842.db2.gz NPXQYYQPOLRZJZ-KWQFWETISA-N 1 0 286.169 2.422 20 10 CECDRO CC(C)(C[NH2+][C@H]1CCc2cccc(O)c21)CS(C)(=O)=O ZINC000723878842 802960587 /nfs/dbraw/zinc/96/05/87/802960587.db2.gz OQTZWMASHCJPTK-LBPRGKRZSA-N 1 0 297.420 2.040 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC2CC2)cc1C ZINC001266918320 802995304 /nfs/dbraw/zinc/99/53/04/802995304.db2.gz WGJZRVNJJCESRB-ZDUSSCGKSA-N 1 0 290.407 2.398 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)[C@@H]1C ZINC001140749230 803514190 /nfs/dbraw/zinc/51/41/90/803514190.db2.gz SFZVWPRSADQXAI-DGCLKSJQSA-N 1 0 293.363 2.180 20 10 CECDRO CCNC(=O)OC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140958338 803629629 /nfs/dbraw/zinc/62/96/29/803629629.db2.gz YFTPNFZXEPIVKM-UHFFFAOYSA-N 1 0 292.379 2.411 20 10 CECDRO COc1ccc(C[NH2+]C[C@@](C)(NC(C)=O)C2CC2)cc1C ZINC001267846050 803771136 /nfs/dbraw/zinc/77/11/36/803771136.db2.gz BDDFFMOXIBERNB-QGZVFWFLSA-N 1 0 290.407 2.398 20 10 CECDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1=O ZINC000722344737 804328343 /nfs/dbraw/zinc/32/83/43/804328343.db2.gz CXZBUSSCMZOZGW-DGCLKSJQSA-N 1 0 262.353 2.054 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCCN(CC)C1=O)c1ccccc1O ZINC000722362084 804383653 /nfs/dbraw/zinc/38/36/53/804383653.db2.gz XCWNRRRNTFHBIH-KGLIPLIRSA-N 1 0 276.380 2.444 20 10 CECDRO C[N@H+](CCOC(C)(C)C)Cc1cc2c(cc1O)OCO2 ZINC000689894029 807016796 /nfs/dbraw/zinc/01/67/96/807016796.db2.gz HVPCMSJPXZQFMZ-UHFFFAOYSA-N 1 0 281.352 2.368 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CO[C@@H](C)C2)c1O ZINC000402008571 804641861 /nfs/dbraw/zinc/64/18/61/804641861.db2.gz RIYOXBRVZOEFBJ-GZMMTYOYSA-N 1 0 271.744 2.321 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CO[C@@H](C)C2)c1O ZINC000402008575 804642195 /nfs/dbraw/zinc/64/21/95/804642195.db2.gz RIYOXBRVZOEFBJ-KWQFWETISA-N 1 0 271.744 2.321 20 10 CECDRO CCC(=O)NC[C@@H](CC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269360431 805141148 /nfs/dbraw/zinc/14/11/48/805141148.db2.gz AQQGWMUKBFQHFX-CQSZACIVSA-N 1 0 278.396 2.398 20 10 CECDRO C[N@H+](Cc1[nH]nc2c1CCC2)Cc1ccccc1O ZINC001232431009 807258808 /nfs/dbraw/zinc/25/88/08/807258808.db2.gz GWYWASDKFLQHEK-UHFFFAOYSA-N 1 0 257.337 2.236 20 10 CECDRO CC[N@H+](Cc1c([O-])ccc(F)c1F)CC(C)(C)O ZINC001233335465 807396815 /nfs/dbraw/zinc/39/68/15/807396815.db2.gz WLIMWMPBXITNHH-UHFFFAOYSA-N 1 0 259.296 2.263 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc[nH]c2=O)c1O ZINC000714997582 807461430 /nfs/dbraw/zinc/46/14/30/807461430.db2.gz VMRVUQFFZPTYCX-UHFFFAOYSA-N 1 0 294.738 2.445 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)[C@@H](OC)C2CC2)c1O ZINC000388240160 807590628 /nfs/dbraw/zinc/59/06/28/807590628.db2.gz QJRJWVJHONMUFP-MEBBXXQBSA-N 1 0 265.353 2.304 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](O)C(F)F)c1 ZINC000716697637 815143440 /nfs/dbraw/zinc/14/34/40/815143440.db2.gz GSODKLXGZVHGPX-QPUJVOFHSA-N 1 0 275.295 2.068 20 10 CECDRO CN1CC[C@]2(CCC[N@@H+]2Cc2cc(Cl)ccc2O)C1=O ZINC001272638792 807844834 /nfs/dbraw/zinc/84/48/34/807844834.db2.gz UYWOFHRPCZDRRZ-OAHLLOKOSA-N 1 0 294.782 2.242 20 10 CECDRO COc1cc(O)c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(Cl)c1 ZINC001235902184 807881662 /nfs/dbraw/zinc/88/16/62/807881662.db2.gz WGLABTXNFXFXSS-AOOOYVTPSA-N 1 0 284.787 2.236 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2c3c(nn2C)CCC3)cc1 ZINC000921495618 808059882 /nfs/dbraw/zinc/05/98/82/808059882.db2.gz FMCVRYHOTZZWSY-UHFFFAOYSA-N 1 0 284.407 2.265 20 10 CECDRO CCc1ccc(CN2CC[NH2+]C[C@@H]2C(F)(F)F)c(O)c1 ZINC001236984321 808186989 /nfs/dbraw/zinc/18/69/89/808186989.db2.gz YEQZIDGVRLDSPK-CYBMUJFWSA-N 1 0 288.313 2.291 20 10 CECDRO Cc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1O ZINC000715589120 808829587 /nfs/dbraw/zinc/82/95/87/808829587.db2.gz PKYIJWKZSCGZGR-UHFFFAOYSA-N 1 0 277.364 2.476 20 10 CECDRO c1cc2c(cc1C[NH2+][C@@H]1CCCC13OCCO3)CCCO2 ZINC000922256884 809088656 /nfs/dbraw/zinc/08/86/56/809088656.db2.gz BJPNNBGFPCMMGF-MRXNPFEDSA-N 1 0 289.375 2.397 20 10 CECDRO CCN1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)CC1=O ZINC001172027361 815272200 /nfs/dbraw/zinc/27/22/00/815272200.db2.gz VLDNXDVTZVUWNC-VXGBXAGGSA-N 1 0 262.353 2.054 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cccnc1 ZINC000700898447 809369719 /nfs/dbraw/zinc/36/97/19/809369719.db2.gz HIFSMMARGKEYKG-UHFFFAOYSA-N 1 0 253.349 2.493 20 10 CECDRO COc1cc(CN2CCCc3cc(C[NH3+])ccc32)on1 ZINC000700899609 809370057 /nfs/dbraw/zinc/37/00/57/809370057.db2.gz SVGLJXRATMPNOD-UHFFFAOYSA-N 1 0 273.336 2.095 20 10 CECDRO CC(C)(CCO)[NH2+]Cc1c(O)cccc1Br ZINC000706875166 809859698 /nfs/dbraw/zinc/85/96/98/809859698.db2.gz OUFOAPLHJWZUJJ-UHFFFAOYSA-N 1 0 288.185 2.405 20 10 CECDRO COCC[N@H+](C)Cc1c(O)cccc1Br ZINC000707129494 809879972 /nfs/dbraw/zinc/87/99/72/809879972.db2.gz IZUKIAHZPCFXCJ-UHFFFAOYSA-N 1 0 274.158 2.233 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)cc1 ZINC000707554970 809911488 /nfs/dbraw/zinc/91/14/88/809911488.db2.gz BPKFITCPZXRPTG-GASCZTMLSA-N 1 0 262.397 2.393 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000708481125 809928476 /nfs/dbraw/zinc/92/84/76/809928476.db2.gz OKUMAVNSHDOCOH-SNVBAGLBSA-N 1 0 282.334 2.244 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCN(C(C)C)C2=O)c1O ZINC000708695496 809932752 /nfs/dbraw/zinc/93/27/52/809932752.db2.gz PAZQTHUCJJKUAD-CQSZACIVSA-N 1 0 276.380 2.054 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000709827331 809972045 /nfs/dbraw/zinc/97/20/45/809972045.db2.gz JUVUGYGSDQHRQL-INIZCTEOSA-N 1 0 260.381 2.276 20 10 CECDRO c1cc(CC[NH2+]Cc2ccc3c(c2)CCO3)sn1 ZINC000710001064 809978213 /nfs/dbraw/zinc/97/82/13/809978213.db2.gz ZNFKYPYHWDXLIN-UHFFFAOYSA-N 1 0 260.362 2.410 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381332405 810329747 /nfs/dbraw/zinc/32/97/47/810329747.db2.gz BTZNKBSPVGNBTI-GWCFXTLKSA-N 1 0 266.772 2.229 20 10 CECDRO C[N@@H+]1CCC=C(c2ccn(CC(F)(F)F)c(=O)c2)C1 ZINC001241572182 811117654 /nfs/dbraw/zinc/11/76/54/811117654.db2.gz SHVFIAOQPBZYHM-UHFFFAOYSA-N 1 0 272.270 2.130 20 10 CECDRO C[N@H+](Cc1ccccc1O)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035533 811345653 /nfs/dbraw/zinc/34/56/53/811345653.db2.gz BXXPYKBOIQOBCX-WCQYABFASA-N 1 0 264.325 2.269 20 10 CECDRO CC(C)COCC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172462672 815447884 /nfs/dbraw/zinc/44/78/84/815447884.db2.gz VJONGSJOHQQYDA-GFCCVEGCSA-N 1 0 297.395 2.387 20 10 CECDRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001172592635 815467024 /nfs/dbraw/zinc/46/70/24/815467024.db2.gz ISXKESIMGILRIC-GJZGRUSLSA-N 1 0 289.375 2.443 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC000691461207 811860210 /nfs/dbraw/zinc/86/02/10/811860210.db2.gz UKPSJQWWEBKTOJ-LBPRGKRZSA-N 1 0 276.380 2.055 20 10 CECDRO COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001172624562 815485912 /nfs/dbraw/zinc/48/59/12/815485912.db2.gz SFWICYQNUZFTLY-KGLIPLIRSA-N 1 0 289.375 2.482 20 10 CECDRO CC(C)[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)[NH3+] ZINC000399783430 812265866 /nfs/dbraw/zinc/26/58/66/812265866.db2.gz WILAMQREZCWWJJ-CJNGLKHVSA-N 1 0 291.439 2.330 20 10 CECDRO CCN(CC)c1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)c(OC)c1 ZINC001206058565 812529117 /nfs/dbraw/zinc/52/91/17/812529117.db2.gz FXPCBVXRVASQBB-CZUORRHYSA-N 1 0 291.439 2.320 20 10 CECDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001172916648 815544686 /nfs/dbraw/zinc/54/46/86/815544686.db2.gz CDGLFLWRFQKIJJ-VXGBXAGGSA-N 1 0 251.326 2.145 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1 ZINC000384819569 813124223 /nfs/dbraw/zinc/12/42/23/813124223.db2.gz LOUNJJSQLCURRH-KGLIPLIRSA-N 1 0 277.364 2.258 20 10 CECDRO C[C@@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000386111698 813153236 /nfs/dbraw/zinc/15/32/36/813153236.db2.gz LOBGNYIJJXMDJT-CJNGLKHVSA-N 1 0 261.413 2.373 20 10 CECDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000387386701 813208597 /nfs/dbraw/zinc/20/85/97/813208597.db2.gz IRFIKGSTUCTIEE-UHFFFAOYSA-N 1 0 276.384 2.263 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1ccccc1O ZINC000391464457 813285337 /nfs/dbraw/zinc/28/53/37/813285337.db2.gz BMYHGXNTUHXPSM-WCQYABFASA-N 1 0 262.353 2.054 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2ncc(Cl)n2C)c1 ZINC000393466315 813315228 /nfs/dbraw/zinc/31/52/28/813315228.db2.gz YPTLIPWZCLXRJP-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO CCOc1cccc(C[NH2+]C2(CN(C)C)CCC2)c1O ZINC000393486204 813315255 /nfs/dbraw/zinc/31/52/55/813315255.db2.gz PIEBZVMCGMULRZ-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO CC(C)(O)C(C)(C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000393583071 813316961 /nfs/dbraw/zinc/31/69/61/813316961.db2.gz LIIQEFFXDDRMSX-UHFFFAOYSA-N 1 0 281.352 2.008 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)C(C)C)c1 ZINC000394028017 813334388 /nfs/dbraw/zinc/33/43/88/813334388.db2.gz IFBNLBJBWGTOMR-VXGBXAGGSA-N 1 0 267.369 2.316 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2c(C)cnn2C)c1 ZINC000394076536 813335415 /nfs/dbraw/zinc/33/54/15/813335415.db2.gz BUOMVHDCSOQMDD-LLVKDONJSA-N 1 0 275.352 2.294 20 10 CECDRO CN(C)C1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000397885527 813645544 /nfs/dbraw/zinc/64/55/44/813645544.db2.gz MSDBQSQIDPTAMA-UHFFFAOYSA-N 1 0 254.761 2.229 20 10 CECDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514924 814097720 /nfs/dbraw/zinc/09/77/20/814097720.db2.gz XYSMWWSGMFGBSR-AOOOYVTPSA-N 1 0 251.326 2.281 20 10 CECDRO C[N@@H+](Cc1c(O)cc(O)cc1O)CC1CCCC1 ZINC001144514528 814097748 /nfs/dbraw/zinc/09/77/48/814097748.db2.gz JJVGXGCBABKECL-UHFFFAOYSA-N 1 0 251.326 2.425 20 10 CECDRO Oc1cc(O)c(C[NH+]2CCC3(CCCOC3)CC2)c(O)c1 ZINC001144515678 814100226 /nfs/dbraw/zinc/10/02/26/814100226.db2.gz VEZZYYOFRPMBHQ-UHFFFAOYSA-N 1 0 293.363 2.196 20 10 CECDRO Cc1cc(C[N@H+]2C[C@H](CO)C[C@H](F)C2)ccc1N(C)C ZINC001139669563 815617864 /nfs/dbraw/zinc/61/78/64/815617864.db2.gz AZJFOSJCMVXXBS-CABCVRRESA-N 1 0 280.387 2.213 20 10 CECDRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000693487982 814622494 /nfs/dbraw/zinc/62/24/94/814622494.db2.gz FASIDCGWRCGREL-LBPRGKRZSA-N 1 0 297.420 2.319 20 10 CECDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000712541343 814764602 /nfs/dbraw/zinc/76/46/02/814764602.db2.gz DPKFGAYMTDJWEP-ZYHUDNBSSA-N 1 0 252.333 2.276 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)c(O)c1 ZINC000714353665 814897389 /nfs/dbraw/zinc/89/73/89/814897389.db2.gz ZOCXKACUGWGOKB-QWHCGFSZSA-N 1 0 297.420 2.319 20 10 CECDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC001138122487 815730909 /nfs/dbraw/zinc/73/09/09/815730909.db2.gz IQYBWOJAKONZMI-GHMZBOCLSA-N 1 0 253.317 2.124 20 10 CECDRO CN1CCCc2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc21 ZINC001138356156 815774400 /nfs/dbraw/zinc/77/44/00/815774400.db2.gz IWDYHVFJSLINIW-CALCHBBNSA-N 1 0 285.435 2.347 20 10 CECDRO Cc1cc(C[N@H+](C)CCC2OCCO2)ccc1N(C)C ZINC001139673013 816076782 /nfs/dbraw/zinc/07/67/82/816076782.db2.gz OEQMFVPYDXLSHZ-UHFFFAOYSA-N 1 0 278.396 2.256 20 10 CECDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCC2(C1)OCCO2 ZINC001140059944 816180607 /nfs/dbraw/zinc/18/06/07/816180607.db2.gz BTXRYEDWNFZRCG-CYBMUJFWSA-N 1 0 281.327 2.259 20 10 CECDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140058954 816180818 /nfs/dbraw/zinc/18/08/18/816180818.db2.gz QSUZFNLWYSOAHQ-WDMOLILDSA-N 1 0 293.338 2.305 20 10 CECDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(F)ccc1O ZINC001140057617 816181406 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ZINC001176290976 816378448 /nfs/dbraw/zinc/37/84/48/816378448.db2.gz ZJJBPEJEVRYYQB-UHFFFAOYSA-N 1 0 285.391 2.461 20 10 CECDRO CCN(CC)c1ccc(C[NH+]2CCN(CC)CC2)c(O)c1 ZINC001140851351 816382995 /nfs/dbraw/zinc/38/29/95/816382995.db2.gz IGDNVYGOXFSCCH-UHFFFAOYSA-N 1 0 291.439 2.376 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CO)C2)c(Cl)c1 ZINC001140923843 816410808 /nfs/dbraw/zinc/41/08/08/816410808.db2.gz JCCNGKGELLWNCC-LLVKDONJSA-N 1 0 268.788 2.220 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC001140921581 816411001 /nfs/dbraw/zinc/41/10/01/816411001.db2.gz IRHOBKCGVIUZRC-LBPRGKRZSA-N 1 0 295.814 2.103 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@](O)(CF)CC2)c(O)c1 ZINC001140948091 816421864 /nfs/dbraw/zinc/42/18/64/816421864.db2.gz SGQCWRMJXSQPSR-OAHLLOKOSA-N 1 0 267.344 2.387 20 10 CECDRO COc1cc(O)c(C[N@H+](C)C[C@@H]2CCCCO2)c(OC)c1 ZINC001141028100 816449213 /nfs/dbraw/zinc/44/92/13/816449213.db2.gz BHSCQTKHRBEZEN-LBPRGKRZSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cc(O)c(C[N@H+](C)CCSC)c(OC)c1 ZINC001141030545 816451632 /nfs/dbraw/zinc/45/16/32/816451632.db2.gz AVBYXJIHJCNJMO-UHFFFAOYSA-N 1 0 271.382 2.204 20 10 CECDRO COc1cc(O)c(C[N@H+](C)CC2CCOCC2)c(OC)c1 ZINC001141032243 816452217 /nfs/dbraw/zinc/45/22/17/816452217.db2.gz XBASLTGQSULARB-UHFFFAOYSA-N 1 0 295.379 2.268 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C)c(OC)c1 ZINC001141032114 816452903 /nfs/dbraw/zinc/45/29/03/816452903.db2.gz SYIXUEONFDDZCH-JTQLQIEISA-N 1 0 251.326 2.394 20 10 CECDRO COc1cc(O)c(C[N@H+]2CC[C@H](OC)C[C@H]2C)c(OC)c1 ZINC001141032396 816452940 /nfs/dbraw/zinc/45/29/40/816452940.db2.gz ANCNBGSBOKHKMZ-NEPJUHHUSA-N 1 0 295.379 2.409 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c(OC)c1 ZINC001141032316 816452981 /nfs/dbraw/zinc/45/29/81/816452981.db2.gz XYSZINKVQTVDMG-BXUZGUMPSA-N 1 0 295.379 2.002 20 10 CECDRO OC1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141075064 816469653 /nfs/dbraw/zinc/46/96/53/816469653.db2.gz XLRGAOHLNFQCRU-UHFFFAOYSA-N 1 0 286.419 2.342 20 10 CECDRO CN1CCOc2cc(C[NH+]3CC4(C3)CCOCC4)ccc21 ZINC001141143244 816485348 /nfs/dbraw/zinc/48/53/48/816485348.db2.gz QOYCEXCUKHHSIG-UHFFFAOYSA-N 1 0 288.391 2.128 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H]3C(C)(C)O)ccc21 ZINC001141145312 816485933 /nfs/dbraw/zinc/48/59/33/816485933.db2.gz TXYXVRKABJYLGV-INIZCTEOSA-N 1 0 290.407 2.251 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC001141155787 816488142 /nfs/dbraw/zinc/48/81/42/816488142.db2.gz JREOZJFFPZWTOR-NHYWBVRUSA-N 1 0 263.337 2.099 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CCc3cnccc3C2)c1 ZINC001141155757 816489260 /nfs/dbraw/zinc/48/92/60/816489260.db2.gz IYIKBNNSLFZAHI-UHFFFAOYSA-N 1 0 256.305 2.051 20 10 CECDRO C[C@@]1(C[NH3+])CCC[N@H+](Cc2c([O-])cccc2F)CC1 ZINC001206305440 816580200 /nfs/dbraw/zinc/58/02/00/816580200.db2.gz ZLFQJHMVVJPZQB-OAHLLOKOSA-N 1 0 266.360 2.482 20 10 CECDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)c(F)cc3O)C[C@H]21 ZINC001142530650 816680516 /nfs/dbraw/zinc/68/05/16/816680516.db2.gz IYKKGBLMWJBRSG-QMTHXVAHSA-N 1 0 282.334 2.196 20 10 CECDRO CN1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)CC1=O ZINC001143110830 816787083 /nfs/dbraw/zinc/78/70/83/816787083.db2.gz QLJUNXWYSIXXKN-UHFFFAOYSA-N 1 0 290.407 2.354 20 10 CECDRO Cc1ccc(CN2CCCc3cc(O)c(O)cc3C2)c(N)n1 ZINC001143208088 816809938 /nfs/dbraw/zinc/80/99/38/816809938.db2.gz RXMKSIJNTVENBU-UHFFFAOYSA-N 1 0 299.374 2.332 20 10 CECDRO COc1ncccc1C[NH2+]Cc1cccc(C)c1O ZINC000124697505 365657490 /nfs/dbraw/zinc/65/74/90/365657490.db2.gz SHWNLEGIOCXLCX-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1C ZINC000072918214 343814971 /nfs/dbraw/zinc/81/49/71/343814971.db2.gz FAANIJCMTUCYNE-UHFFFAOYSA-N 1 0 288.391 2.111 20 10 CECDRO C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000137192265 344386610 /nfs/dbraw/zinc/38/66/10/344386610.db2.gz LQQLAGHUTSJXAB-CQSZACIVSA-N 1 0 289.423 2.101 20 10 CECDRO CCCOc1ccc(CN2CC[C@H]([NH+](C)C)C2)c(O)c1 ZINC000134182647 366294956 /nfs/dbraw/zinc/29/49/56/366294956.db2.gz CPMYTTYPZADFOK-AWEZNQCLSA-N 1 0 278.396 2.317 20 10 CECDRO C[C@@H](CO)C[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000134914491 366372334 /nfs/dbraw/zinc/37/23/34/366372334.db2.gz CIIQXKAZLGMDRG-RKDXNWHRSA-N 1 0 288.185 2.434 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@H]1CCCSC1)OCO2 ZINC000135702353 366470534 /nfs/dbraw/zinc/47/05/34/366470534.db2.gz UUQZAMRGMOAHIM-JTQLQIEISA-N 1 0 267.350 2.106 20 10 CECDRO OCC[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000000819187 361193354 /nfs/dbraw/zinc/19/33/54/361193354.db2.gz ARORWUIGDPBDTP-UHFFFAOYSA-N 1 0 257.333 2.387 20 10 CECDRO CC[N@H+](Cc1cc(C)c(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000016839692 361498391 /nfs/dbraw/zinc/49/83/91/361498391.db2.gz VBRDRJRLRNPYFY-AWEZNQCLSA-N 1 0 297.420 2.018 20 10 CECDRO CCC(=O)N1CCC[N@H+](Cc2cc(C)ccc2O)CC1 ZINC000092187168 364074597 /nfs/dbraw/zinc/07/45/97/364074597.db2.gz AXLMMTDPEDPDEB-UHFFFAOYSA-N 1 0 276.380 2.145 20 10 CECDRO COc1cccc(C[NH2+]CC2(N(C)C)CCCC2)c1O ZINC000112016920 364769450 /nfs/dbraw/zinc/76/94/50/364769450.db2.gz QCDLHUFMOFLVET-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](C)CO)c1O ZINC000169089716 367365445 /nfs/dbraw/zinc/36/54/45/367365445.db2.gz VNQBZCSHNALDRI-BDAKNGLRSA-N 1 0 273.760 2.161 20 10 CECDRO C[C@@H](O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180058597 368367015 /nfs/dbraw/zinc/36/70/15/368367015.db2.gz VYNSAUVVKIUDEC-SNVBAGLBSA-N 1 0 253.317 2.124 20 10 CECDRO CCCC[N@H+](CC(N)=O)Cc1cc(Cl)cc(C)c1O ZINC000179768384 368350040 /nfs/dbraw/zinc/35/00/40/368350040.db2.gz VKWVZTKBJIRURH-UHFFFAOYSA-N 1 0 284.787 2.441 20 10 CECDRO Cc1cccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1O ZINC000180683144 368392569 /nfs/dbraw/zinc/39/25/69/368392569.db2.gz RHFWDEYAKFTKBH-KBPBESRZSA-N 1 0 279.405 2.407 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(OC)c2O)C[C@@H]1C ZINC000188121882 369301315 /nfs/dbraw/zinc/30/13/15/369301315.db2.gz MZRWIYFWOFVVNW-AAEUAGOBSA-N 1 0 293.363 2.032 20 10 CECDRO C[C@H]1CCSCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000189912497 369578612 /nfs/dbraw/zinc/57/86/12/369578612.db2.gz VVNHOSCDHRQQRX-JTQLQIEISA-N 1 0 281.377 2.448 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCC[C@@H]2O)c1O ZINC000190265001 369608835 /nfs/dbraw/zinc/60/88/35/369608835.db2.gz PGSBXIFBABFXDX-RYUDHWBXSA-N 1 0 285.771 2.447 20 10 CECDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000191758013 369740163 /nfs/dbraw/zinc/74/01/63/369740163.db2.gz CQFOHCNFTBNOBH-SMDDNHRTSA-N 1 0 266.360 2.406 20 10 CECDRO Cc1ccc2c(c1)N(C(=O)C1=CC[C@H]([NH3+])C1)CCC2 ZINC000637992047 370222958 /nfs/dbraw/zinc/22/29/58/370222958.db2.gz FSNSXCHKBRNMCF-AWEZNQCLSA-N 1 0 256.349 2.322 20 10 CECDRO Cc1ccc2c(c1)N(C(=O)C1=CC[C@@H]([NH3+])C1)CCC2 ZINC000637992048 370223227 /nfs/dbraw/zinc/22/32/27/370223227.db2.gz FSNSXCHKBRNMCF-CQSZACIVSA-N 1 0 256.349 2.322 20 10 CECDRO CCC(CC)(CO)C[NH2+]Cc1cccc(OC)c1O ZINC000229210076 370421946 /nfs/dbraw/zinc/42/19/46/370421946.db2.gz ASGLITYZGCOYMP-UHFFFAOYSA-N 1 0 267.369 2.289 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(F)ccc1O ZINC000359956882 371494488 /nfs/dbraw/zinc/49/44/88/371494488.db2.gz FZFTVIOIWVGDDL-BXKDBHETSA-N 1 0 275.327 2.463 20 10 CECDRO COCCOCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000267500784 372073981 /nfs/dbraw/zinc/07/39/81/372073981.db2.gz SZJDOQXXVXTMNJ-UHFFFAOYSA-N 1 0 292.423 2.380 20 10 CECDRO O=C(NCCC[NH2+]Cc1c(O)cccc1Cl)C1CCC1 ZINC000267693432 372077727 /nfs/dbraw/zinc/07/77/27/372077727.db2.gz GDAYMCZNNCMGLR-UHFFFAOYSA-N 1 0 296.798 2.442 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000268739540 372203614 /nfs/dbraw/zinc/20/36/14/372203614.db2.gz RETFCABGMJFRJS-OLZOCXBDSA-N 1 0 277.412 2.318 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccccc1O ZINC000364357713 372736162 /nfs/dbraw/zinc/73/61/62/372736162.db2.gz DQBDHLGJBHGWKA-ZBFHGGJFSA-N 1 0 290.407 2.296 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1O ZINC000270835111 372974499 /nfs/dbraw/zinc/97/44/99/372974499.db2.gz DDYJJRNICYVRPI-IINYFYTJSA-N 1 0 297.782 2.451 20 10 CECDRO CCOc1ccc(O)c(CN2CC[NH+](C3CCC3)CC2)c1 ZINC000271174682 373161956 /nfs/dbraw/zinc/16/19/56/373161956.db2.gz KATUMRGZFAUEQF-UHFFFAOYSA-N 1 0 290.407 2.461 20 10 CECDRO C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)c1ccccc1O ZINC000367203195 373141188 /nfs/dbraw/zinc/14/11/88/373141188.db2.gz CHZYEBDIWKFSHM-UBHSHLNASA-N 1 0 274.364 2.196 20 10 CECDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccccc3O)C2)[nH]1 ZINC000271445909 373192061 /nfs/dbraw/zinc/19/20/61/373192061.db2.gz SXPTZJMKEKCLJB-ZDUSSCGKSA-N 1 0 272.352 2.198 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000272609188 373579845 /nfs/dbraw/zinc/57/98/45/373579845.db2.gz KDYYAKKCWJXRPJ-BBRMVZONSA-N 1 0 290.407 2.317 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](COC)OC)c1ccc(N(C)C)cc1 ZINC000272725523 373632519 /nfs/dbraw/zinc/63/25/19/373632519.db2.gz YOBPQWYRKALYLB-HOTGVXAUSA-N 1 0 280.412 2.455 20 10 CECDRO CC[C@H]([NH2+]C[C@H](COC)OC)c1ccc(N(C)C)cc1 ZINC000272725520 373632661 /nfs/dbraw/zinc/63/26/61/373632661.db2.gz YOBPQWYRKALYLB-CVEARBPZSA-N 1 0 280.412 2.455 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)[C@@]12CCCO2 ZINC000272650474 373598738 /nfs/dbraw/zinc/59/87/38/373598738.db2.gz FKXSDGITPSEBCV-XHSDSOJGSA-N 1 0 277.364 2.208 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](CCO)C(C)C)c1O ZINC000273738091 373771101 /nfs/dbraw/zinc/77/11/01/373771101.db2.gz LKRYUGWTDHUNQG-UHFFFAOYSA-N 1 0 273.760 2.257 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCOC2)c1 ZINC000273412866 373754620 /nfs/dbraw/zinc/75/46/20/373754620.db2.gz QEVIAIVYXAHOBR-RYUDHWBXSA-N 1 0 293.363 2.256 20 10 CECDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1O)OC ZINC000273392641 373755830 /nfs/dbraw/zinc/75/58/30/373755830.db2.gz DVWMDEMKMATAON-STQMWFEESA-N 1 0 267.369 2.321 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)c(O)c1C ZINC000273530773 373762394 /nfs/dbraw/zinc/76/23/94/373762394.db2.gz WEKUWDGFIOACTD-BBRMVZONSA-N 1 0 293.407 2.447 20 10 CECDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273563863 373765467 /nfs/dbraw/zinc/76/54/67/373765467.db2.gz IYBFXULVKCSSMX-LBPRGKRZSA-N 1 0 285.409 2.094 20 10 CECDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372590887 374163820 /nfs/dbraw/zinc/16/38/20/374163820.db2.gz GTCOYTZCWNGZMW-NEPJUHHUSA-N 1 0 288.351 2.000 20 10 CECDRO COc1ccc(C[NH2+]CCN2CC=CCC2)cc1C ZINC000279934169 375036129 /nfs/dbraw/zinc/03/61/29/375036129.db2.gz YIANROIYJPLLHZ-UHFFFAOYSA-N 1 0 260.381 2.355 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CO)CCOC)cc1 ZINC000281552313 375386745 /nfs/dbraw/zinc/38/67/45/375386745.db2.gz JKHHXIMKZVLEJF-UKRRQHHQSA-N 1 0 280.412 2.191 20 10 CECDRO CN(C)CC1([NH2+]Cc2ccc(N(C)C)cc2)CCC1 ZINC000282272328 375445595 /nfs/dbraw/zinc/44/55/95/375445595.db2.gz PYJKQBNYNDQIAJ-UHFFFAOYSA-N 1 0 261.413 2.327 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1C ZINC000282937525 375617968 /nfs/dbraw/zinc/61/79/68/375617968.db2.gz XAXGPECWJOMATM-OAHLLOKOSA-N 1 0 288.391 2.295 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1C ZINC000285162681 375836760 /nfs/dbraw/zinc/83/67/60/375836760.db2.gz SMACHVCYMFOTRG-KRWDZBQOSA-N 1 0 291.391 2.390 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000287128166 376156084 /nfs/dbraw/zinc/15/60/84/376156084.db2.gz RNOVYVBSQJIANP-OLZOCXBDSA-N 1 0 297.420 2.176 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CC1=CCCOC1 ZINC000288529515 376378818 /nfs/dbraw/zinc/37/88/18/376378818.db2.gz VMBDHMCGOUXVEA-UHFFFAOYSA-N 1 0 253.729 2.482 20 10 CECDRO COc1cccc(C[N@H+]2CC=C(c3ccnn3C)CC2)c1O ZINC000289097673 376387168 /nfs/dbraw/zinc/38/71/68/376387168.db2.gz BXLYULHXYCQJMM-UHFFFAOYSA-N 1 0 299.374 2.424 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293677669 377693987 /nfs/dbraw/zinc/69/39/87/377693987.db2.gz KDZAZHUYONOCTP-RYUDHWBXSA-N 1 0 264.369 2.184 20 10 CECDRO CC[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccccc1O ZINC000293766529 377746719 /nfs/dbraw/zinc/74/67/19/377746719.db2.gz RSGLUZGWUJSXIC-CQSZACIVSA-N 1 0 274.368 2.194 20 10 CECDRO CC[C@H](C)[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000294115514 377911077 /nfs/dbraw/zinc/91/10/77/377911077.db2.gz DFXDIFZVMOOCEC-ZUZCIYMTSA-N 1 0 281.352 2.272 20 10 CECDRO Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](C)O)ccc1N(C)C ZINC000294487805 377990515 /nfs/dbraw/zinc/99/05/15/377990515.db2.gz HQCHUTTXMXNWPG-HOCLYGCPSA-N 1 0 292.423 2.033 20 10 CECDRO CCCOc1ccc(C[N@H+](C)[C@H](CC)CO)c(O)c1 ZINC000295061634 378038707 /nfs/dbraw/zinc/03/87/07/378038707.db2.gz GPHACTKSESNPKB-CYBMUJFWSA-N 1 0 267.369 2.384 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(C)cc1O ZINC000296272334 378472209 /nfs/dbraw/zinc/47/22/09/378472209.db2.gz DQQVTQRFWFTUMR-OLZOCXBDSA-N 1 0 262.353 2.020 20 10 CECDRO CCN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000109779847 394734939 /nfs/dbraw/zinc/73/49/39/394734939.db2.gz KIQLWBHHAYDZKA-UHFFFAOYSA-N 1 0 257.717 2.041 20 10 CECDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)CN1CCOCC1 ZINC000120293422 394777275 /nfs/dbraw/zinc/77/72/75/394777275.db2.gz OMARJPGEFXYGLO-LBPRGKRZSA-N 1 0 298.814 2.104 20 10 CECDRO OCC1([NH2+]Cc2ccc3c(c2)CCO3)Cc2ccccc2C1 ZINC000363623664 394882016 /nfs/dbraw/zinc/88/20/16/394882016.db2.gz PNXBTUFDWUIUOY-UHFFFAOYSA-N 1 0 295.382 2.241 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCO[C@H](CC)C2)c1O ZINC000132016759 394923716 /nfs/dbraw/zinc/92/37/16/394923716.db2.gz FAGBPCMSNPYLRL-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1O ZINC000132195757 394926266 /nfs/dbraw/zinc/92/62/66/394926266.db2.gz PIXTUTQAJVVZTB-NWDGAFQWSA-N 1 0 265.353 2.400 20 10 CECDRO C[C@H]1CN(Cc2cc(Br)ccc2O)CCO1 ZINC000132477921 394931831 /nfs/dbraw/zinc/93/18/31/394931831.db2.gz RILUYMCRAZKUSL-VIFPVBQESA-N 1 0 286.169 2.375 20 10 CECDRO CN(CC[NH+](C)C)Cc1cc(Br)ccc1O ZINC000132737323 394936818 /nfs/dbraw/zinc/93/68/18/394936818.db2.gz JYOHTWHZPFKTBH-UHFFFAOYSA-N 1 0 287.201 2.148 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1cc(F)ccc1O ZINC000368329436 394984254 /nfs/dbraw/zinc/98/42/54/394984254.db2.gz DBUUUDXGXKJECY-SMDDNHRTSA-N 1 0 294.370 2.045 20 10 CECDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000285470132 394957626 /nfs/dbraw/zinc/95/76/26/394957626.db2.gz KMOWRLJADIOCAK-CJNGLKHVSA-N 1 0 292.448 2.364 20 10 CECDRO CC(C)NC(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000135103645 394963741 /nfs/dbraw/zinc/96/37/41/394963741.db2.gz AAHIOQYFTXSDHY-ZDUSSCGKSA-N 1 0 277.412 2.318 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cnccn1 ZINC000151064471 394975258 /nfs/dbraw/zinc/97/52/58/394975258.db2.gz NAJQPJWZDYMFGH-CQSZACIVSA-N 1 0 298.390 2.164 20 10 CECDRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)no1 ZINC000373128919 395055191 /nfs/dbraw/zinc/05/51/91/395055191.db2.gz WYBPPGMNPADYES-CYBMUJFWSA-N 1 0 273.336 2.463 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000374282217 395078741 /nfs/dbraw/zinc/07/87/41/395078741.db2.gz FJZLAVYVMIEEQF-AWEZNQCLSA-N 1 0 257.337 2.426 20 10 CECDRO Oc1ccccc1CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000374270836 395078822 /nfs/dbraw/zinc/07/88/22/395078822.db2.gz RDWFHXOXJXVQDM-AWEZNQCLSA-N 1 0 278.421 2.015 20 10 CECDRO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000374284940 395079559 /nfs/dbraw/zinc/07/95/59/395079559.db2.gz WTLRSFMQSYEVIH-OAHLLOKOSA-N 1 0 288.391 2.369 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H](CO)C2)cc1 ZINC000372399698 395041283 /nfs/dbraw/zinc/04/12/83/395041283.db2.gz SCLLIIYAKSUHLL-HNNXBMFYSA-N 1 0 262.397 2.347 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)CCO)c1 ZINC000174577447 395125184 /nfs/dbraw/zinc/12/51/84/395125184.db2.gz ATNGCGKAFAKUIM-UHFFFAOYSA-N 1 0 253.342 2.042 20 10 CECDRO CN(C)c1ccc(C[NH+]2CC([C@H]3CCOC3)C2)cc1F ZINC000376137277 395110561 /nfs/dbraw/zinc/11/05/61/395110561.db2.gz XCSXOSLEOOPRRH-ZDUSSCGKSA-N 1 0 278.371 2.360 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000178711236 395172335 /nfs/dbraw/zinc/17/23/35/395172335.db2.gz RLRYBHOENBKURP-OAHLLOKOSA-N 1 0 289.423 2.149 20 10 CECDRO CO[C@@H](C)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000182333847 395239555 /nfs/dbraw/zinc/23/95/55/395239555.db2.gz IYWJLRSLMXSZHH-ZFWWWQNUSA-N 1 0 279.380 2.408 20 10 CECDRO Cc1cccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1O ZINC000182492394 395241963 /nfs/dbraw/zinc/24/19/63/395241963.db2.gz UKHQZRGNMHYAJE-UHFFFAOYSA-N 1 0 285.409 2.004 20 10 CECDRO COCCCOCC[N@H+](C)Cc1cccc(C)c1O ZINC000181523984 395219311 /nfs/dbraw/zinc/21/93/11/395219311.db2.gz ABVWLXFUFBRUHR-UHFFFAOYSA-N 1 0 267.369 2.186 20 10 CECDRO COc1ccc(O)c(C[N@H+](CC(C)(C)O)C2CC2)c1 ZINC000189942749 286337854 /nfs/dbraw/zinc/33/78/54/286337854.db2.gz CTYDIPWCONILDQ-UHFFFAOYSA-N 1 0 265.353 2.136 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCc2ccccn2)cc1 ZINC000004781819 170016032 /nfs/dbraw/zinc/01/60/32/170016032.db2.gz ZVNDQPIRGWCLNU-UHFFFAOYSA-N 1 0 255.365 2.480 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)c2cnn(C)c2C)c1O ZINC000020352714 171157023 /nfs/dbraw/zinc/15/70/23/171157023.db2.gz FBVBDZJWKCKQGW-JTQLQIEISA-N 1 0 275.352 2.294 20 10 CECDRO CC[C@H](COC)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000079737186 260176976 /nfs/dbraw/zinc/17/69/76/260176976.db2.gz OVESWIIWKJWISV-OAHLLOKOSA-N 1 0 278.396 2.038 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1O ZINC000128267457 260373283 /nfs/dbraw/zinc/37/32/83/260373283.db2.gz YSWJFDPQFQHZAC-STQMWFEESA-N 1 0 265.353 2.040 20 10 CECDRO CC[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccccc1O ZINC000156689378 261129438 /nfs/dbraw/zinc/12/94/38/261129438.db2.gz KHHFQEYNAPNFDA-FZMZJTMJSA-N 1 0 274.364 2.196 20 10 CECDRO COC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000159176255 261179982 /nfs/dbraw/zinc/17/99/82/261179982.db2.gz VIMUSFBDJJFJPK-UHFFFAOYSA-N 1 0 276.380 2.138 20 10 CECDRO COc1cc(O)c(C[N@H+](C)CCOCC2CC2)cc1OC ZINC000160388095 261212556 /nfs/dbraw/zinc/21/25/56/261212556.db2.gz KUCXNHLUDDOPFS-UHFFFAOYSA-N 1 0 295.379 2.268 20 10 CECDRO C[N@H+](Cc1ccco1)Cc1cc2c(cc1O)OCO2 ZINC000162177243 261272320 /nfs/dbraw/zinc/27/23/20/261272320.db2.gz OOJFMWSPCVUTTJ-UHFFFAOYSA-N 1 0 261.277 2.346 20 10 CECDRO Oc1ccc2ccccc2c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000363889536 262010707 /nfs/dbraw/zinc/01/07/07/262010707.db2.gz PCFWGGVPQIQMGG-HNNXBMFYSA-N 1 0 298.386 2.062 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)CC[C@@H](C)O)c1O ZINC000184695390 262025920 /nfs/dbraw/zinc/02/59/20/262025920.db2.gz YMBGXPPMFAXEGL-SECBINFHSA-N 1 0 273.760 2.257 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1O ZINC000184744327 262027538 /nfs/dbraw/zinc/02/75/38/262027538.db2.gz CKMBZUWKEFSKKA-VHSXEESVSA-N 1 0 285.771 2.257 20 10 CECDRO C[C@H]([NH2+]CCCN1CCOCC1)c1cc(Cl)ccc1O ZINC000184837844 262030736 /nfs/dbraw/zinc/03/07/36/262030736.db2.gz DJNCOMLANWYTQF-LBPRGKRZSA-N 1 0 298.814 2.419 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)c(O)c1 ZINC000184889062 262032283 /nfs/dbraw/zinc/03/22/83/262032283.db2.gz PFXVIGNLQFLYJC-ZDUSSCGKSA-N 1 0 276.380 2.364 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2CCOC2=O)c1 ZINC000185332641 262051056 /nfs/dbraw/zinc/05/10/56/262051056.db2.gz HZFBSQNFHJGWHY-LBPRGKRZSA-N 1 0 278.352 2.194 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c1 ZINC000185504773 262057153 /nfs/dbraw/zinc/05/71/53/262057153.db2.gz GQSGABZFUCWGEE-GJZGRUSLSA-N 1 0 292.423 2.320 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000185788966 262070810 /nfs/dbraw/zinc/07/08/10/262070810.db2.gz PQJVQZARQCIGCA-ZYHUDNBSSA-N 1 0 280.343 2.193 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C[S@](C)=O)c(O)c1 ZINC000186540828 262097977 /nfs/dbraw/zinc/09/79/77/262097977.db2.gz ZTOHUEWDQBRXIX-AGKHESDQSA-N 1 0 255.383 2.118 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C[S@](C)=O)c1 ZINC000186540040 262098125 /nfs/dbraw/zinc/09/81/25/262098125.db2.gz PTZOGMSTAVEPIP-RVPKQNPDSA-N 1 0 255.383 2.118 20 10 CECDRO Oc1ccc(F)cc1CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000368590333 262112011 /nfs/dbraw/zinc/11/20/11/262112011.db2.gz KOTLCYFEGHXFTQ-CQSZACIVSA-N 1 0 296.411 2.154 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000283833580 263084683 /nfs/dbraw/zinc/08/46/83/263084683.db2.gz FHNMSPNXJBXHKB-GDBMZVCRSA-N 1 0 294.439 2.000 20 10 CECDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000290158704 263115032 /nfs/dbraw/zinc/11/50/32/263115032.db2.gz LTMAFXWMRVIMGF-CVEARBPZSA-N 1 0 289.423 2.003 20 10 CECDRO Cc1cc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)ccc1N(C)C ZINC000293427660 263140274 /nfs/dbraw/zinc/14/02/74/263140274.db2.gz JBQDPHANISVDRC-INIZCTEOSA-N 1 0 289.423 2.114 20 10 CECDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000188494536 264013263 /nfs/dbraw/zinc/01/32/63/264013263.db2.gz VNCAPQCYUJVBIB-VHSXEESVSA-N 1 0 268.332 2.049 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1C[C@H]3CCCC[C@H]31)OCO2 ZINC000367971631 267131731 /nfs/dbraw/zinc/13/17/31/267131731.db2.gz DCCXCJCTAPNQAB-ZYHUDNBSSA-N 1 0 261.321 2.495 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@]2(CO)CCc3ccccc32)c1 ZINC000305807299 268000875 /nfs/dbraw/zinc/00/08/75/268000875.db2.gz ZQDXXONDMIUUGS-SFHVURJKSA-N 1 0 299.370 2.324 20 10 CECDRO CC[C@H]([NH2+]CC(=O)N(C)CC)c1ccc(N(C)C)cc1 ZINC000186813457 327854753 /nfs/dbraw/zinc/85/47/53/327854753.db2.gz YDOMKUCUTWKHJW-HNNXBMFYSA-N 1 0 277.412 2.272 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1 ZINC000185179282 327914948 /nfs/dbraw/zinc/91/49/48/327914948.db2.gz VCEVUBMOSAKCIS-VIFPVBQESA-N 1 0 290.285 2.030 20 10 CECDRO CCOCC[C@H](O)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000571396320 328118797 /nfs/dbraw/zinc/11/87/97/328118797.db2.gz AISSZJBWQVEQRW-AWEZNQCLSA-N 1 0 290.407 2.364 20 10 CECDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCOC1=O ZINC000282492351 328242363 /nfs/dbraw/zinc/24/23/63/328242363.db2.gz PXJKIWRYBLMCID-ZDUSSCGKSA-N 1 0 263.337 2.310 20 10 CECDRO COc1ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1C ZINC000283800112 328245003 /nfs/dbraw/zinc/24/50/03/328245003.db2.gz AKDUUOJIWYCJEK-ZBFHGGJFSA-N 1 0 295.423 2.251 20 10 CECDRO O[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077204685 326922979 /nfs/dbraw/zinc/92/29/79/326922979.db2.gz PTHMOCDONDARFD-CABCVRRESA-N 1 0 261.365 2.262 20 10 CECDRO CC[C@@H](CO)[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000293876437 327172291 /nfs/dbraw/zinc/17/22/91/327172291.db2.gz FISWPQCVGVDEKM-LBPRGKRZSA-N 1 0 285.771 2.451 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CCCOCC2)c1O ZINC000228630516 329346183 /nfs/dbraw/zinc/34/61/83/329346183.db2.gz FBTCDCNSPHZLOH-UHFFFAOYSA-N 1 0 271.744 2.277 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1 ZINC000249958476 329912389 /nfs/dbraw/zinc/91/23/89/329912389.db2.gz JKTBDALNCIHXEQ-ARFHVFGLSA-N 1 0 260.381 2.410 20 10 CECDRO CCn1nncc1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000527729367 330277871 /nfs/dbraw/zinc/27/78/71/330277871.db2.gz OPTYMVGXGDFMJW-UHFFFAOYSA-N 1 0 280.759 2.255 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000527746577 330280383 /nfs/dbraw/zinc/28/03/83/330280383.db2.gz VRYPCEKEUYRMKJ-GFCCVEGCSA-N 1 0 285.269 2.482 20 10 CECDRO COc1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000527792991 330283582 /nfs/dbraw/zinc/28/35/82/330283582.db2.gz FQYWNCWQVOMEKS-UHFFFAOYSA-N 1 0 284.359 2.357 20 10 CECDRO CC(=O)NCC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000219487966 333151123 /nfs/dbraw/zinc/15/11/23/333151123.db2.gz WXYDVBWLZFSUTJ-UHFFFAOYSA-N 1 0 296.798 2.394 20 10 CECDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000227712553 333287490 /nfs/dbraw/zinc/28/74/90/333287490.db2.gz DHZMEYPZPCAQKT-WFASDCNBSA-N 1 0 266.385 2.065 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1O ZINC000230315200 333316496 /nfs/dbraw/zinc/31/64/96/333316496.db2.gz BNADWILIVRETDL-BBRMVZONSA-N 1 0 277.364 2.448 20 10 CECDRO CCC[C@H](CCO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000231383994 333324720 /nfs/dbraw/zinc/32/47/20/333324720.db2.gz XODOOUREIXQZEP-LLVKDONJSA-N 1 0 281.352 2.009 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cc(F)ccc1O ZINC000251791522 334369774 /nfs/dbraw/zinc/36/97/74/334369774.db2.gz VZBKCRZSEROYNE-FPMFFAJLSA-N 1 0 294.370 2.045 20 10 CECDRO CCOc1cccc(C[NH2+]CC[C@H](C)CCO)c1O ZINC000295145635 334902338 /nfs/dbraw/zinc/90/23/38/334902338.db2.gz QLGGEMPLJCOODD-LBPRGKRZSA-N 1 0 267.369 2.289 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@H](O)C2CC2)c(O)c1 ZINC000265254586 520366802 /nfs/dbraw/zinc/36/68/02/520366802.db2.gz PDPXFWZFQKMPCB-OAHLLOKOSA-N 1 0 265.353 2.042 20 10 CECDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000097987273 520847019 /nfs/dbraw/zinc/84/70/19/520847019.db2.gz OHFQEVNGKOUATK-CYBMUJFWSA-N 1 0 292.379 2.037 20 10 CECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(C)ccc1O ZINC000292517103 520998971 /nfs/dbraw/zinc/99/89/71/520998971.db2.gz DOYBQCZWXPTHFV-ZDUSSCGKSA-N 1 0 278.396 2.343 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCCOC2)c1 ZINC000236852310 521154035 /nfs/dbraw/zinc/15/40/35/521154035.db2.gz WRWJWBWQPQYPGD-LBPRGKRZSA-N 1 0 251.326 2.060 20 10 CECDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccccc1O ZINC000291078488 521611341 /nfs/dbraw/zinc/61/13/41/521611341.db2.gz XXAOARMUQVRWRC-CYBMUJFWSA-N 1 0 293.411 2.312 20 10 CECDRO COCCn1cc(C[NH2+]Cc2ccc(OC)c(C)c2)cn1 ZINC000266236539 522096363 /nfs/dbraw/zinc/09/63/63/522096363.db2.gz VYRDJSAMJBWQEU-UHFFFAOYSA-N 1 0 289.379 2.136 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H](CO)Cc2ccccc2)cc1 ZINC000063218008 522212008 /nfs/dbraw/zinc/21/20/08/522212008.db2.gz MWQHSIVSLBKSGA-KRWDZBQOSA-N 1 0 284.403 2.446 20 10 CECDRO COc1cc(Cl)cc(C[N@H+]2CC[C@H](OC)C2)c1O ZINC000234888725 522536849 /nfs/dbraw/zinc/53/68/49/522536849.db2.gz UPPHUEBXTJWRNH-NSHDSACASA-N 1 0 271.744 2.275 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@H](O)C(F)(F)F ZINC000271876157 522641811 /nfs/dbraw/zinc/64/18/11/522641811.db2.gz ZLKYJIRESIGLRT-JQWIXIFHSA-N 1 0 293.285 2.192 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccccc1O ZINC000084063229 522710135 /nfs/dbraw/zinc/71/01/35/522710135.db2.gz CKFZPAOQMBPRSH-YPMHNXCESA-N 1 0 262.353 2.054 20 10 CECDRO COC(=O)CC1([NH2+]Cc2ccccc2O)CCCC1 ZINC000279639375 522935816 /nfs/dbraw/zinc/93/58/16/522935816.db2.gz JCSZPFIJNIASQW-UHFFFAOYSA-N 1 0 263.337 2.358 20 10 CECDRO COCCN(C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293261026 523611224 /nfs/dbraw/zinc/61/12/24/523611224.db2.gz CAGKZVKSFIWPON-CQSZACIVSA-N 1 0 280.412 2.238 20 10 CECDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000290111805 524010036 /nfs/dbraw/zinc/01/00/36/524010036.db2.gz IRLIDWRZDORRDB-QWRKXWFKSA-N 1 0 271.744 2.110 20 10 CECDRO C[NH+](C)C1(CNC(=O)NCc2ccccc2O)CCCC1 ZINC000299481721 524036326 /nfs/dbraw/zinc/03/63/26/524036326.db2.gz HCCCCCUPRRCQAH-UHFFFAOYSA-N 1 0 291.395 2.066 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)CC(C)C)c1 ZINC000040774036 524775064 /nfs/dbraw/zinc/77/50/64/524775064.db2.gz KNIBODOAPATVDJ-NWDGAFQWSA-N 1 0 267.369 2.458 20 10 CECDRO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccccc1O ZINC000289740634 524789833 /nfs/dbraw/zinc/78/98/33/524789833.db2.gz QCYHBWOHOAYDMP-DZGCQCFKSA-N 1 0 260.381 2.451 20 10 CECDRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617560 524795004 /nfs/dbraw/zinc/79/50/04/524795004.db2.gz GNYIBNMUYZJYDL-GHMZBOCLSA-N 1 0 263.316 2.467 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000280254008 524997423 /nfs/dbraw/zinc/99/74/23/524997423.db2.gz LIZAENSJEZJFJV-PBHICJAKSA-N 1 0 290.407 2.132 20 10 CECDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000127311105 525036757 /nfs/dbraw/zinc/03/67/57/525036757.db2.gz QAMOOMGIVXKVOX-KCJUWKMLSA-N 1 0 286.169 2.422 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cc1C ZINC000280390749 525319585 /nfs/dbraw/zinc/31/95/85/525319585.db2.gz WWBAUHFHDZTODN-WMLDXEAASA-N 1 0 291.391 2.389 20 10 CECDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000290364735 525338326 /nfs/dbraw/zinc/33/83/26/525338326.db2.gz HBPSFSKQBPYTCX-ZFWWWQNUSA-N 1 0 262.397 2.473 20 10 CECDRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000280921508 525404280 /nfs/dbraw/zinc/40/42/80/525404280.db2.gz RCYZBFNLHJYTIC-SDDRHHMPSA-N 1 0 299.798 2.341 20 10 CECDRO C[C@@H](O)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000278876900 525758403 /nfs/dbraw/zinc/75/84/03/525758403.db2.gz SFRBBHOMJYDPDM-HUUCEWRRSA-N 1 0 292.423 2.335 20 10 CECDRO C[C@@](O)(C[NH2+]Cc1ccccc1O)c1cccs1 ZINC000265802926 525775862 /nfs/dbraw/zinc/77/58/62/525775862.db2.gz TWFHBAPJNHKNMO-CQSZACIVSA-N 1 0 263.362 2.451 20 10 CECDRO COc1cccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1O ZINC000290466437 525915979 /nfs/dbraw/zinc/91/59/79/525915979.db2.gz NGVPPFVBGGCZOK-OCCSQVGLSA-N 1 0 278.396 2.173 20 10 CECDRO COc1cccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1O ZINC000290466430 525917408 /nfs/dbraw/zinc/91/74/08/525917408.db2.gz NGVPPFVBGGCZOK-GXTWGEPZSA-N 1 0 278.396 2.173 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c(O)c1 ZINC000297385141 525945664 /nfs/dbraw/zinc/94/56/64/525945664.db2.gz RKLJQYVQGIUJOI-GJZGRUSLSA-N 1 0 292.423 2.198 20 10 CECDRO Cc1nocc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000293505551 526692703 /nfs/dbraw/zinc/69/27/03/526692703.db2.gz HQLDOQNXKBOARI-UHFFFAOYSA-N 1 0 287.363 2.109 20 10 CECDRO OC[C@H](CC1CCC1)[NH2+]Cc1cc(F)ccc1O ZINC000279831107 527605075 /nfs/dbraw/zinc/60/50/75/527605075.db2.gz QHOZWJCCCMRCNH-ZDUSSCGKSA-N 1 0 253.317 2.172 20 10 CECDRO CC[C@H](C(=O)NCCCSc1nccs1)[NH+](C)C ZINC000125216866 649872799 /nfs/dbraw/zinc/87/27/99/649872799.db2.gz QLJYJWBRMMVXCN-SNVBAGLBSA-N 1 0 287.454 2.082 20 10 CECDRO Fc1cc(C[NH+]2CCCC2)ccc1N1CCOCC1 ZINC000727465403 574451970 /nfs/dbraw/zinc/45/19/70/574451970.db2.gz DZXAJGARVUGQAN-UHFFFAOYSA-N 1 0 264.344 2.258 20 10 CECDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(OCC)cc1O ZINC000732821017 574632321 /nfs/dbraw/zinc/63/23/21/574632321.db2.gz UDPLPNPRUQIOJJ-HNNXBMFYSA-N 1 0 267.369 2.432 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CC)COC)c(O)c1 ZINC000738441051 574863240 /nfs/dbraw/zinc/86/32/40/574863240.db2.gz ZZIWDDKUWNQALS-LBPRGKRZSA-N 1 0 253.342 2.306 20 10 CECDRO CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000982947259 614949837 /nfs/dbraw/zinc/94/98/37/614949837.db2.gz RCUOMOVIZDPMFM-SHTZXODSSA-N 1 0 290.407 2.398 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)C2CC2)c(O)c1OC ZINC000892449175 625487440 /nfs/dbraw/zinc/48/74/40/625487440.db2.gz OJKROUZMCRIYJX-SECBINFHSA-N 1 0 251.326 2.298 20 10 CECDRO Cc1ccc(C)n1-c1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000120318611 622643177 /nfs/dbraw/zinc/64/31/77/622643177.db2.gz HFJKGXGXSRRNDB-UHFFFAOYSA-N 1 0 285.391 2.386 20 10 CECDRO Cn1cncc1C[NH2+]Cc1c(O)cccc1Cl ZINC000289689463 623379205 /nfs/dbraw/zinc/37/92/05/623379205.db2.gz CTTWEVVEPSNESQ-UHFFFAOYSA-N 1 0 251.717 2.069 20 10 CECDRO C[C@H](NC(=O)NC1CCC([NH3+])CC1)c1ccccc1O ZINC000892020881 624256923 /nfs/dbraw/zinc/25/69/23/624256923.db2.gz CLLFMIZVTHJAJO-UNXYVOJBSA-N 1 0 277.368 2.022 20 10 CECDRO CCOC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892180360 624384537 /nfs/dbraw/zinc/38/45/37/624384537.db2.gz OSOHURVJWISUNW-LBPRGKRZSA-N 1 0 295.379 2.268 20 10 CECDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1O ZINC000892275723 624592451 /nfs/dbraw/zinc/59/24/51/624592451.db2.gz ZVAGYTAYEOHSKM-SMDDNHRTSA-N 1 0 289.379 2.037 20 10 CECDRO COc1ccc(C[NH2+]CCc2nccs2)c(O)c1OC ZINC000892760790 627755648 /nfs/dbraw/zinc/75/56/48/627755648.db2.gz PYWRPCNVQPORTE-UHFFFAOYSA-N 1 0 294.376 2.198 20 10 CECDRO CCC[C@@H](CCO)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893073437 627979467 /nfs/dbraw/zinc/97/94/67/627979467.db2.gz KZQBIGMJENLURO-LBPRGKRZSA-N 1 0 297.395 2.298 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000020185958 628496106 /nfs/dbraw/zinc/49/61/06/628496106.db2.gz JHRUCMVIVOGWRP-UHFFFAOYSA-N 1 0 271.364 2.446 20 10 CECDRO Cc1cc(C(=O)NC[C@@H](C)[NH3+])c(C)n1-c1ccccc1C ZINC000194926231 628520220 /nfs/dbraw/zinc/52/02/20/628520220.db2.gz ZHTFJDIXOPUENF-GFCCVEGCSA-N 1 0 285.391 2.480 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCNc1ncccn1 ZINC000840928971 628738279 /nfs/dbraw/zinc/73/82/79/628738279.db2.gz CXGGREXXWASQDO-UHFFFAOYSA-N 1 0 299.422 2.443 20 10 CECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCO)c1O ZINC000186912842 628753277 /nfs/dbraw/zinc/75/32/77/628753277.db2.gz ZGXVEGROUCDTEX-VIFPVBQESA-N 1 0 288.185 2.496 20 10 CECDRO CCOC1CC(O)(C[NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000840940777 628775295 /nfs/dbraw/zinc/77/52/95/628775295.db2.gz LSKZOPNUODYGDP-UHFFFAOYSA-N 1 0 299.798 2.374 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840949948 628844719 /nfs/dbraw/zinc/84/47/19/628844719.db2.gz DEIVAEOBTKNVSL-NVXWUHKLSA-N 1 0 292.423 2.202 20 10 CECDRO C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(N(C)C)cc1 ZINC000902464640 634683336 /nfs/dbraw/zinc/68/33/36/634683336.db2.gz BAZURWOLPHESJN-DDUYRFODSA-N 1 0 259.397 2.296 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC000106917594 628856451 /nfs/dbraw/zinc/85/64/51/628856451.db2.gz UBQCQLYNWOCAHQ-IAQYHMDHSA-N 1 0 294.395 2.164 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](CO)C2)c1 ZINC000840979497 628988170 /nfs/dbraw/zinc/98/81/70/628988170.db2.gz SNBNACUPFKTNBY-JSGCOSHPSA-N 1 0 279.380 2.432 20 10 CECDRO c1cc2c(cc1CNC[C@@H]1CCCC[NH2+]1)CCCO2 ZINC000258966561 629216254 /nfs/dbraw/zinc/21/62/54/629216254.db2.gz SYCICBXNHZMXIF-HNNXBMFYSA-N 1 0 260.381 2.243 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@](C)(O)c2ccco2)c1O ZINC000894315078 629346169 /nfs/dbraw/zinc/34/61/69/629346169.db2.gz HJBNWFUYZFOAFA-INIZCTEOSA-N 1 0 291.347 2.300 20 10 CECDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000237137120 629390367 /nfs/dbraw/zinc/39/03/67/629390367.db2.gz GTHSMTVBVHEIDK-UHFFFAOYSA-N 1 0 263.337 2.053 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[N@@H+](CCO)C1CCC1 ZINC000894532932 629516856 /nfs/dbraw/zinc/51/68/56/629516856.db2.gz KTRQUNZIVGESEA-UHFFFAOYSA-N 1 0 257.280 2.017 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](CO)CC2CCC2)c1O ZINC000894616736 629560838 /nfs/dbraw/zinc/56/08/38/629560838.db2.gz HXKDJGZIDGNKQJ-CQSZACIVSA-N 1 0 279.380 2.350 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC[C@@H](O)C(F)(F)F)c1O ZINC000894770589 629625872 /nfs/dbraw/zinc/62/58/72/629625872.db2.gz RQTRJYOXECWWAJ-LLVKDONJSA-N 1 0 293.285 2.112 20 10 CECDRO Cc1nnc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)[nH]1 ZINC000894772496 629627150 /nfs/dbraw/zinc/62/71/50/629627150.db2.gz LWKRKWHWUFMHFP-SECBINFHSA-N 1 0 277.347 2.169 20 10 CECDRO COc1cc(C[N@@H+](C)C[C@H](C)OC)c(O)cc1C ZINC000795748680 629665135 /nfs/dbraw/zinc/66/51/35/629665135.db2.gz DMFKEEOXZSOUSS-NSHDSACASA-N 1 0 253.342 2.176 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@H](O)C(F)F ZINC000894882021 629716135 /nfs/dbraw/zinc/71/61/35/629716135.db2.gz UEWVQMCDYFHVBG-GWCFXTLKSA-N 1 0 289.322 2.203 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H](O)C(F)F ZINC000894882024 629716262 /nfs/dbraw/zinc/71/62/62/629716262.db2.gz UEWVQMCDYFHVBG-GXFFZTMASA-N 1 0 289.322 2.203 20 10 CECDRO Oc1cccc(Cl)c1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000310955065 629747677 /nfs/dbraw/zinc/74/76/77/629747677.db2.gz CDUMKFPTZWIQRN-AWEZNQCLSA-N 1 0 266.772 2.231 20 10 CECDRO Cc1nnc([C@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)[nH]1 ZINC000895012665 629795402 /nfs/dbraw/zinc/79/54/02/629795402.db2.gz TYIUITFQUGJPHO-ZDUSSCGKSA-N 1 0 272.352 2.117 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1O ZINC000895014738 629798455 /nfs/dbraw/zinc/79/84/55/629798455.db2.gz MUKNFLUTXUZYGW-OLZOCXBDSA-N 1 0 279.380 2.302 20 10 CECDRO COc1cc(C)cc(C[NH+]2CCC(C3(O)CC3)CC2)c1O ZINC000895133402 629941426 /nfs/dbraw/zinc/94/14/26/629941426.db2.gz IUASTHRDQHVZKZ-UHFFFAOYSA-N 1 0 291.391 2.446 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2ccccc2c1O)C1N=NC(=O)N1C ZINC000895173849 630001127 /nfs/dbraw/zinc/00/11/27/630001127.db2.gz CCRDHBHBTLKNNC-SNVBAGLBSA-N 1 0 298.346 2.230 20 10 CECDRO C[C@@H](CCNCc1cc(F)c(N(C)C)cc1F)[NH+](C)C ZINC000895293254 630084416 /nfs/dbraw/zinc/08/44/16/630084416.db2.gz XCOUGXHFTZKPRW-NSHDSACASA-N 1 0 285.382 2.461 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000895844966 630368475 /nfs/dbraw/zinc/36/84/75/630368475.db2.gz GGPKRYXAEGYLJA-LRDDRELGSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1ccc(C[NH2+]Cc2cc(N(C)C)ccn2)c(O)c1 ZINC000896299075 630521440 /nfs/dbraw/zinc/52/14/40/630521440.db2.gz QKWCXBSBXDODKB-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896384313 630549089 /nfs/dbraw/zinc/54/90/89/630549089.db2.gz JSDJHEDADRGINU-SNVBAGLBSA-N 1 0 283.755 2.240 20 10 CECDRO [O-]c1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000896636491 630620838 /nfs/dbraw/zinc/62/08/38/630620838.db2.gz DIWKUYKHRASDIA-VXGBXAGGSA-N 1 0 264.344 2.248 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)Cn2cncn2)cc1 ZINC000067504948 630999751 /nfs/dbraw/zinc/99/97/51/630999751.db2.gz INBFFIYSRIPGEE-CQSZACIVSA-N 1 0 287.411 2.303 20 10 CECDRO CCC[N@@H+]1CCC[C@H](C(=O)NCc2c(O)cccc2F)C1 ZINC000928712156 631130745 /nfs/dbraw/zinc/13/07/45/631130745.db2.gz ZUBAIQUHURMOKF-LBPRGKRZSA-N 1 0 294.370 2.270 20 10 CECDRO C[N@H+](CCCCO)Cc1ccc(Br)cc1O ZINC000825667138 635690142 /nfs/dbraw/zinc/69/01/42/635690142.db2.gz UQSBTPIGACLWRP-UHFFFAOYSA-N 1 0 288.185 2.359 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(=O)NC ZINC000841752829 631725219 /nfs/dbraw/zinc/72/52/19/631725219.db2.gz CKUQRUOGYQXCFD-KWQFWETISA-N 1 0 270.760 2.221 20 10 CECDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000840104060 631856426 /nfs/dbraw/zinc/85/64/26/631856426.db2.gz GPXRNFBGPOMSNT-CQSZACIVSA-N 1 0 292.379 2.282 20 10 CECDRO COCC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808717601 632005712 /nfs/dbraw/zinc/00/57/12/632005712.db2.gz FVRMRDNFTKJKKK-ZYHUDNBSSA-N 1 0 287.787 2.402 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CC[C@@H]2C)cc1OC ZINC000809719339 632132225 /nfs/dbraw/zinc/13/22/25/632132225.db2.gz YBHJLRPQTOIVSZ-ONGXEEELSA-N 1 0 251.326 2.298 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCCOCC1)c1ccccc1O ZINC000809751941 632140397 /nfs/dbraw/zinc/14/03/97/632140397.db2.gz YSXQXCGRTGQJTK-OAHLLOKOSA-N 1 0 278.396 2.155 20 10 CECDRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000809768727 632142839 /nfs/dbraw/zinc/14/28/39/632142839.db2.gz VIZICQVTKKPPPM-GFCCVEGCSA-N 1 0 287.787 2.263 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)n1cncn1 ZINC000810214772 632195787 /nfs/dbraw/zinc/19/57/87/632195787.db2.gz IQSVHGHIGMJCOE-GFCCVEGCSA-N 1 0 286.379 2.126 20 10 CECDRO CC(C)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000311036239 632310996 /nfs/dbraw/zinc/31/09/96/632310996.db2.gz FUCXFRDTLRVTRV-NSHDSACASA-N 1 0 254.349 2.350 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000040672933 632346859 /nfs/dbraw/zinc/34/68/59/632346859.db2.gz TVMBHJSPIVCMOT-DZGCQCFKSA-N 1 0 261.413 2.497 20 10 CECDRO C[C@@H]1C[C@@H](NCc2c(O)cccc2Cl)CC[NH2+]1 ZINC000841061608 632363746 /nfs/dbraw/zinc/36/37/46/632363746.db2.gz LNLHBYBOGBKJGO-ZJUUUORDSA-N 1 0 254.761 2.276 20 10 CECDRO C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000841065023 632399889 /nfs/dbraw/zinc/39/98/89/632399889.db2.gz LGTATRYFPZOMNF-RISCZKNCSA-N 1 0 265.376 2.122 20 10 CECDRO CN(C)c1ccc([C@@H](C[NH2+]CC2(F)CC2)N(C)C)cc1 ZINC000898451321 632499781 /nfs/dbraw/zinc/49/97/81/632499781.db2.gz XPBQVTSXUYKHGX-OAHLLOKOSA-N 1 0 279.403 2.447 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)cc1 ZINC000898466588 632507809 /nfs/dbraw/zinc/50/78/09/632507809.db2.gz CWXXWYRUTQMTFK-DOTOQJQBSA-N 1 0 287.407 2.044 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000812779263 632576295 /nfs/dbraw/zinc/57/62/95/632576295.db2.gz KIOLNICRDIKRHM-CQSZACIVSA-N 1 0 265.353 2.136 20 10 CECDRO CC[N@@H+](Cc1c(O)cccc1OC)C[C@H](C)OC ZINC000812807703 632587180 /nfs/dbraw/zinc/58/71/80/632587180.db2.gz ICRBTQCTTOEZFR-NSHDSACASA-N 1 0 253.342 2.258 20 10 CECDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815579743 633033060 /nfs/dbraw/zinc/03/30/60/633033060.db2.gz UBWLWZMJJGOBNJ-WFASDCNBSA-N 1 0 267.369 2.057 20 10 CECDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816593871 633419283 /nfs/dbraw/zinc/41/92/83/633419283.db2.gz HEYKCSKSDSIXEY-SJKOYZFVSA-N 1 0 287.359 2.175 20 10 CECDRO COc1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)c(O)c1 ZINC000816597313 633419444 /nfs/dbraw/zinc/41/94/44/633419444.db2.gz MVNPMEKCGSAHJK-UHFFFAOYSA-N 1 0 297.305 2.152 20 10 CECDRO Cc1cc(C[N@@H+]2C[C@H](CO)OC(C)(C)C2)ccc1N(C)C ZINC000817278430 633617021 /nfs/dbraw/zinc/61/70/21/633617021.db2.gz AYTHWEQBOKSCIN-OAHLLOKOSA-N 1 0 292.423 2.033 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c(O)c1 ZINC000817412576 633650857 /nfs/dbraw/zinc/65/08/57/633650857.db2.gz MVWFCQXTLISADQ-CHWSQXEVSA-N 1 0 279.380 2.241 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CN)CC(C)C)c1 ZINC000817959149 633800496 /nfs/dbraw/zinc/80/04/96/633800496.db2.gz PTWPTJPZAROCHO-VXGBXAGGSA-N 1 0 266.385 2.425 20 10 CECDRO C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817977255 633820494 /nfs/dbraw/zinc/82/04/94/633820494.db2.gz FQCVEMUFUAJRFJ-RKDXNWHRSA-N 1 0 258.312 2.448 20 10 CECDRO CC[C@@H]([NH3+])CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817980728 633822834 /nfs/dbraw/zinc/82/28/34/633822834.db2.gz WQAGZPJWMHTIJS-TZMCWYRMSA-N 1 0 295.402 2.050 20 10 CECDRO CCN(C)c1ccc([C@@H](C)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000817983238 633827525 /nfs/dbraw/zinc/82/75/25/633827525.db2.gz ZXXDMVRYXLITLC-RHSMWYFYSA-N 1 0 291.439 2.172 20 10 CECDRO COC(=O)CC1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000818330006 633909765 /nfs/dbraw/zinc/90/97/65/633909765.db2.gz KSWWXVBAZWLUQT-UHFFFAOYSA-N 1 0 275.348 2.053 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901055242 633941214 /nfs/dbraw/zinc/94/12/14/633941214.db2.gz LBVBMYVLINBUME-CABCVRRESA-N 1 0 288.391 2.368 20 10 CECDRO O[C@@H](C[NH2+]CCCSc1nccs1)C(F)(F)F ZINC000819064041 634057900 /nfs/dbraw/zinc/05/79/00/634057900.db2.gz SUBQNQQKBJXXAK-ZETCQYMHSA-N 1 0 286.344 2.138 20 10 CECDRO C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000822081201 634845604 /nfs/dbraw/zinc/84/56/04/634845604.db2.gz CYFGWLNXLQXGMQ-KGLIPLIRSA-N 1 0 289.423 2.272 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1O ZINC000903286673 635050759 /nfs/dbraw/zinc/05/07/59/635050759.db2.gz MEGUJHFUMZZQIO-PXYJVIPOSA-N 1 0 275.348 2.227 20 10 CECDRO C[N@@H+](Cc1ccccc1O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903886963 635327317 /nfs/dbraw/zinc/32/73/17/635327317.db2.gz WWAWQUZAIDZQDQ-LQDVMPOASA-N 1 0 260.381 2.355 20 10 CECDRO CC(C)([NH3+])CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000903940140 635372965 /nfs/dbraw/zinc/37/29/65/635372965.db2.gz YLQFJXFHUHAHAW-UHFFFAOYSA-N 1 0 260.740 2.402 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000824575866 635455657 /nfs/dbraw/zinc/45/56/57/635455657.db2.gz SMTBUAYEVCWKIP-GHMZBOCLSA-N 1 0 296.798 2.440 20 10 CECDRO CN(Cc1cn(C2CCC2)nn1)Cc1ccccc1O ZINC000824593986 635458797 /nfs/dbraw/zinc/45/87/97/635458797.db2.gz WUIJPLRADBUDCR-UHFFFAOYSA-N 1 0 272.352 2.341 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000825124827 635573726 /nfs/dbraw/zinc/57/37/26/635573726.db2.gz ZCNKOGIDLOYJRL-ZWNOBZJWSA-N 1 0 289.297 2.446 20 10 CECDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1cccc(Cl)c1[O-] ZINC000825129687 635575040 /nfs/dbraw/zinc/57/50/40/635575040.db2.gz ATCAKFWQASLBTA-GWCFXTLKSA-N 1 0 285.771 2.017 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCn2cccn2)cc1Cl ZINC000825132261 635575540 /nfs/dbraw/zinc/57/55/40/635575540.db2.gz ZIEGWWXSZJNAPR-UHFFFAOYSA-N 1 0 265.744 2.340 20 10 CECDRO FC1(F)CC[NH2+]C[C@@H]1CNCc1ccc2c(c1)CCCO2 ZINC000904386024 635608214 /nfs/dbraw/zinc/60/82/14/635608214.db2.gz NANWYOZZGLKGKP-CQSZACIVSA-N 1 0 296.361 2.346 20 10 CECDRO [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000904405117 635612716 /nfs/dbraw/zinc/61/27/16/635612716.db2.gz DLNNLZDHFOCRPL-JTQLQIEISA-N 1 0 299.212 2.325 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](C)CCO)cc1Cl ZINC000825320348 635615339 /nfs/dbraw/zinc/61/53/39/635615339.db2.gz JDZAXYUUVQIMBX-SECBINFHSA-N 1 0 257.761 2.462 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1Cl ZINC000825752996 635707433 /nfs/dbraw/zinc/70/74/33/635707433.db2.gz LDZHEBFAMJULDZ-AWEZNQCLSA-N 1 0 282.771 2.051 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1Cl ZINC000826120464 635763809 /nfs/dbraw/zinc/76/38/09/635763809.db2.gz DPUJLHPNBJNLRD-SMDDNHRTSA-N 1 0 299.798 2.231 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)c(O)c1 ZINC000842776763 635774838 /nfs/dbraw/zinc/77/48/38/635774838.db2.gz ZRIBUOZRXZLGSO-JQWIXIFHSA-N 1 0 251.326 2.058 20 10 CECDRO [NH3+][C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000827007732 636186980 /nfs/dbraw/zinc/18/69/80/636186980.db2.gz AIDCXKYITMHEBK-INIZCTEOSA-N 1 0 287.407 2.030 20 10 CECDRO O=C1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC[C@@H]2N1 ZINC000827140148 636233358 /nfs/dbraw/zinc/23/33/58/636233358.db2.gz IFXABRRMONNGTE-MFKMUULPSA-N 1 0 294.782 2.146 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1O ZINC000827151502 636237464 /nfs/dbraw/zinc/23/74/64/636237464.db2.gz CVHGLVKVFJQMDO-INIZCTEOSA-N 1 0 261.365 2.438 20 10 CECDRO C[N@@H+](Cc1cc(F)ccc1O)CC1=CCCOC1 ZINC000827189151 636249914 /nfs/dbraw/zinc/24/99/14/636249914.db2.gz GRNAMDOKDITTOF-UHFFFAOYSA-N 1 0 251.301 2.310 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c(O)c1 ZINC000827284303 636279518 /nfs/dbraw/zinc/27/95/18/636279518.db2.gz UPENTPDTLGREIL-XJKSGUPXSA-N 1 0 277.364 2.259 20 10 CECDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2O)CC1=O ZINC000827555053 636351334 /nfs/dbraw/zinc/35/13/34/636351334.db2.gz MRZLZUIWZVVDRV-LLVKDONJSA-N 1 0 294.370 2.268 20 10 CECDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827977902 636477189 /nfs/dbraw/zinc/47/71/89/636477189.db2.gz BMZVQVKHJXGZCJ-GXTWGEPZSA-N 1 0 276.380 2.444 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000828144360 636521810 /nfs/dbraw/zinc/52/18/10/636521810.db2.gz DAECABJXORRNFX-GXTWGEPZSA-N 1 0 276.380 2.129 20 10 CECDRO COC(=O)C1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000828959278 636736739 /nfs/dbraw/zinc/73/67/39/636736739.db2.gz KDNCAZJNYOGCLY-LBPRGKRZSA-N 1 0 276.380 2.356 20 10 CECDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000829764528 636924420 /nfs/dbraw/zinc/92/44/20/636924420.db2.gz NXSXTPWGTVHIOG-ZDUSSCGKSA-N 1 0 277.412 2.065 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccsc2)cc1 ZINC000832293263 637535513 /nfs/dbraw/zinc/53/55/13/637535513.db2.gz SPLPJUKTZGXXAY-AWEZNQCLSA-N 1 0 289.404 2.244 20 10 CECDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000832870505 637696946 /nfs/dbraw/zinc/69/69/46/637696946.db2.gz LZGCXRPZIPLMKF-CQSZACIVSA-N 1 0 280.393 2.012 20 10 CECDRO Cc1ccc2c(c1)N(C(=O)/C=C\[C@H]1CCC[NH2+]C1)CC2 ZINC000876630879 650367474 /nfs/dbraw/zinc/36/74/74/650367474.db2.gz MXMWCDIHKAVJRK-BRLPQQTGSA-N 1 0 270.376 2.440 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C)Cc1c(C)cccc1O ZINC000876632196 650368210 /nfs/dbraw/zinc/36/82/10/650368210.db2.gz PYJYGGKRZMLGOL-UHFFFAOYSA-N 1 0 264.369 2.001 20 10 CECDRO O=C(CC[NH2+][C@@H]1CCc2cccc(O)c21)Nc1ccccn1 ZINC000834541260 637859276 /nfs/dbraw/zinc/85/92/76/637859276.db2.gz SKZKOLNPMVMLJR-CYBMUJFWSA-N 1 0 297.358 2.393 20 10 CECDRO Cc1ccc(C[NH+]2CCN(CC(F)F)CC2)c(O)c1 ZINC000876643476 650372143 /nfs/dbraw/zinc/37/21/43/650372143.db2.gz YSPJFHXQDGGNAD-UHFFFAOYSA-N 1 0 270.323 2.083 20 10 CECDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876644802 650372953 /nfs/dbraw/zinc/37/29/53/650372953.db2.gz ITRFSSLJTWMGSW-UHFFFAOYSA-N 1 0 276.380 2.143 20 10 CECDRO CSC[C@@H](CCO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834597492 637886111 /nfs/dbraw/zinc/88/61/11/637886111.db2.gz GGLLTAGXFZHHQO-VXGBXAGGSA-N 1 0 267.394 2.083 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834765509 637943701 /nfs/dbraw/zinc/94/37/01/637943701.db2.gz NBSPOJUAWHELPH-KCQAQPDRSA-N 1 0 277.364 2.163 20 10 CECDRO COCC(COC)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000834891583 637978836 /nfs/dbraw/zinc/97/88/36/637978836.db2.gz OXMXKLMQJXAHCV-SECBINFHSA-N 1 0 273.760 2.358 20 10 CECDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccccc1O ZINC000834895399 637980229 /nfs/dbraw/zinc/98/02/29/637980229.db2.gz BHQKRNMIWFEYIT-NEPJUHHUSA-N 1 0 259.353 2.408 20 10 CECDRO CCN1C[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1=O ZINC000834892376 637980327 /nfs/dbraw/zinc/98/03/27/637980327.db2.gz VCRDIIYKSRMFAF-OLZOCXBDSA-N 1 0 276.380 2.280 20 10 CECDRO Cc1cnc(CC[NH2+][C@H]2CCc3cccc(O)c32)cn1 ZINC000834907880 637985137 /nfs/dbraw/zinc/98/51/37/637985137.db2.gz FFXCLMSRPBPMTO-AWEZNQCLSA-N 1 0 269.348 2.310 20 10 CECDRO C[C@@H]1CN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000876657657 650382400 /nfs/dbraw/zinc/38/24/00/650382400.db2.gz QLKAEOODXWAYKU-VRZZLATASA-N 1 0 286.375 2.356 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)cc1 ZINC000834910073 637986121 /nfs/dbraw/zinc/98/61/21/637986121.db2.gz VLVVSDOIMQDZSG-DYVFJYSZSA-N 1 0 289.423 2.462 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)cc1 ZINC000834910069 637986272 /nfs/dbraw/zinc/98/62/72/637986272.db2.gz VLVVSDOIMQDZSG-CXAGYDPISA-N 1 0 289.423 2.462 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ccnn2C)cc1 ZINC000835036430 638032951 /nfs/dbraw/zinc/03/29/51/638032951.db2.gz PGKZUDOCAOCAHS-SNAWJCMRSA-N 1 0 270.380 2.289 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000835036490 638033397 /nfs/dbraw/zinc/03/33/97/638033397.db2.gz QJHOJVNPQJCEDI-OOPCZODUSA-N 1 0 288.313 2.279 20 10 CECDRO CNC(=O)[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC000835040494 638034931 /nfs/dbraw/zinc/03/49/31/638034931.db2.gz DHMMWIWQCMJQAR-WLMCBFPDSA-N 1 0 289.423 2.126 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@]2(O)CCSC2)cc1 ZINC000835043160 638035466 /nfs/dbraw/zinc/03/54/66/638035466.db2.gz NOJIRHKHAYZJPM-QDLOVBKTSA-N 1 0 292.448 2.223 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cncn2C)cc1 ZINC000835052621 638039725 /nfs/dbraw/zinc/03/97/25/638039725.db2.gz HVCZCRLMMGSHMX-PLNGDYQASA-N 1 0 270.380 2.289 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000835054207 638041274 /nfs/dbraw/zinc/04/12/74/638041274.db2.gz SLPCABPRSIOFDE-QDLOVBKTSA-N 1 0 260.381 2.126 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(C)C=CCC2)cc1 ZINC000911668532 638343938 /nfs/dbraw/zinc/34/39/38/638343938.db2.gz ZBDVWMUYTNLYLZ-NVXWUHKLSA-N 1 0 287.407 2.225 20 10 CECDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876774830 650427948 /nfs/dbraw/zinc/42/79/48/650427948.db2.gz IGCYBVRUMAFGBH-AWEZNQCLSA-N 1 0 279.380 2.186 20 10 CECDRO Cc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c(O)c1 ZINC000876798828 650437729 /nfs/dbraw/zinc/43/77/29/650437729.db2.gz PSIJXIXWHNBZDC-ZFWWWQNUSA-N 1 0 279.405 2.407 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCSCC1 ZINC000126191017 650449147 /nfs/dbraw/zinc/44/91/47/650449147.db2.gz AAZOWONRVVYIPP-UHFFFAOYSA-N 1 0 278.421 2.072 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000876872669 650467460 /nfs/dbraw/zinc/46/74/60/650467460.db2.gz JLALOXOSXKYDLY-GJZGRUSLSA-N 1 0 289.423 2.084 20 10 CECDRO Cc1ccc(O)c(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC000913000312 639170577 /nfs/dbraw/zinc/17/05/77/639170577.db2.gz GRWVWDQOGMDXGN-HUUCEWRRSA-N 1 0 288.391 2.334 20 10 CECDRO C[NH+](C)C1(C)CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000913390114 639265151 /nfs/dbraw/zinc/26/51/51/639265151.db2.gz MRUZOOQTQQVYLW-UHFFFAOYSA-N 1 0 268.382 2.010 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1O ZINC000164514194 639378237 /nfs/dbraw/zinc/37/82/37/639378237.db2.gz FZWILPTWZGDSNB-NWDGAFQWSA-N 1 0 265.353 2.318 20 10 CECDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000224269587 639445135 /nfs/dbraw/zinc/44/51/35/639445135.db2.gz SCNAHPCYYTWHKZ-KRWDZBQOSA-N 1 0 292.423 2.020 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c1 ZINC000224866365 639465935 /nfs/dbraw/zinc/46/59/35/639465935.db2.gz AVSDOPVGTILFLW-YPMHNXCESA-N 1 0 265.353 2.042 20 10 CECDRO COc1cc(C[NH2+]Cc2cc(F)ccc2O)ccn1 ZINC000226606495 639554724 /nfs/dbraw/zinc/55/47/24/639554724.db2.gz CUVOJZIDEIICRD-UHFFFAOYSA-N 1 0 262.284 2.225 20 10 CECDRO CN1CCCc2cc(C[NH2+]C3CCS(=O)CC3)ccc21 ZINC000157973993 639559079 /nfs/dbraw/zinc/55/90/79/639559079.db2.gz DEHDQGQYGJRWFC-UHFFFAOYSA-N 1 0 292.448 2.070 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2(CO)CCOCC2)c(Cl)c1 ZINC000840906073 639579763 /nfs/dbraw/zinc/57/97/63/639579763.db2.gz CZQVDSVWSOKUGK-UHFFFAOYSA-N 1 0 299.798 2.233 20 10 CECDRO CC[C@H](CCO)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000168794244 639585018 /nfs/dbraw/zinc/58/50/18/639585018.db2.gz OWHDWTFQVZGVMS-WDEREUQCSA-N 1 0 253.342 2.212 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(C)(C)N(C)C ZINC000840928202 639589019 /nfs/dbraw/zinc/58/90/19/639589019.db2.gz MNEZLKPKDLONNH-UHFFFAOYSA-N 1 0 263.429 2.491 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCNC(=O)C(C)C ZINC000840937842 639592740 /nfs/dbraw/zinc/59/27/40/639592740.db2.gz YJUZTLSJZIFQDU-UHFFFAOYSA-N 1 0 291.439 2.313 20 10 CECDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)C(C)C ZINC000840948190 639597808 /nfs/dbraw/zinc/59/78/08/639597808.db2.gz BEOAPZVOOPUZCG-INIZCTEOSA-N 1 0 291.439 2.311 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H](O)C(C)C ZINC000840966531 639603568 /nfs/dbraw/zinc/60/35/68/639603568.db2.gz HLDDNUGZFCLPPX-IAQYHMDHSA-N 1 0 281.352 2.006 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c(O)c1 ZINC000840977052 639607823 /nfs/dbraw/zinc/60/78/23/639607823.db2.gz FQYHPWGZOQPXSW-OCCSQVGLSA-N 1 0 279.380 2.432 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c(O)c1 ZINC000840977468 639607841 /nfs/dbraw/zinc/60/78/41/639607841.db2.gz IHIGSUCJVVZIRP-JSGCOSHPSA-N 1 0 279.380 2.384 20 10 CECDRO CCC([NH3+])(CC)CNCc1ccc(N(C)C)c(F)c1 ZINC000841030667 639622575 /nfs/dbraw/zinc/62/25/75/639622575.db2.gz JXMVMGSBBGFKKZ-UHFFFAOYSA-N 1 0 267.392 2.499 20 10 CECDRO [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841032549 639624100 /nfs/dbraw/zinc/62/41/00/639624100.db2.gz GSLKQXCSXQVRHN-JTQLQIEISA-N 1 0 299.212 2.244 20 10 CECDRO Oc1ccc(Cl)cc1CNC[C@H]1CCCC[NH2+]1 ZINC000841032621 639625538 /nfs/dbraw/zinc/62/55/38/639625538.db2.gz IDEFCBNQKZZKAR-GFCCVEGCSA-N 1 0 254.761 2.277 20 10 CECDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1[O-] ZINC000841033594 639626762 /nfs/dbraw/zinc/62/67/62/639626762.db2.gz WRSQDWCNKBALNI-SECBINFHSA-N 1 0 299.758 2.043 20 10 CECDRO Cc1nn(C)c(Cl)c1C[NH2+]CCc1ccc(N)cc1 ZINC000841036336 639628039 /nfs/dbraw/zinc/62/80/39/639628039.db2.gz LKWLDHJNUYAVHE-UHFFFAOYSA-N 1 0 278.787 2.296 20 10 CECDRO COc1cccc(O)c1CNc1ccc(OCC[NH3+])cc1 ZINC000841053359 639633475 /nfs/dbraw/zinc/63/34/75/639633475.db2.gz UEHFOLJPVYNIJR-UHFFFAOYSA-N 1 0 288.347 2.350 20 10 CECDRO CCOCc1cc(CNC[C@@H]([NH3+])C2CC2)ccc1OC ZINC000841050096 639633641 /nfs/dbraw/zinc/63/36/41/639633641.db2.gz OQTBWLFWGXCCRC-OAHLLOKOSA-N 1 0 278.396 2.059 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2NCCc3ccccc32)c1O ZINC000841069043 639642173 /nfs/dbraw/zinc/64/21/73/639642173.db2.gz LNUUFCMFJCZPGY-INIZCTEOSA-N 1 0 298.386 2.377 20 10 CECDRO COCC1(C[NH2+]Cc2cccc(Cl)c2[O-])CC[NH2+]CC1 ZINC000841067507 639642723 /nfs/dbraw/zinc/64/27/23/639642723.db2.gz BEIMULVSAKZRSU-UHFFFAOYSA-N 1 0 298.814 2.151 20 10 CECDRO CC[C@H]([NH3+])CNCc1ccc(N(CC)CC)c(F)c1 ZINC000841073364 639643942 /nfs/dbraw/zinc/64/39/42/639643942.db2.gz WEGUVIVZCBPEKY-ZDUSSCGKSA-N 1 0 267.392 2.499 20 10 CECDRO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841077266 639646975 /nfs/dbraw/zinc/64/69/75/639646975.db2.gz GWXSKQQCGQLRFP-JZYVYDRUSA-N 1 0 273.163 2.006 20 10 CECDRO C[C@H](CCC[NH3+])[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841080044 639648405 /nfs/dbraw/zinc/64/84/05/639648405.db2.gz NFTVXPFSOJFBIQ-MRVPVSSYSA-N 1 0 260.740 2.402 20 10 CECDRO CN(C)c1ccc(/C=C/CN[C@H]2CC[NH2+]C2(C)C)cc1 ZINC000841085629 639651505 /nfs/dbraw/zinc/65/15/05/639651505.db2.gz JBLHXURGLYYNJV-JFDDCEBESA-N 1 0 273.424 2.496 20 10 CECDRO C[NH2+]C[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229103419 639676701 /nfs/dbraw/zinc/67/67/01/639676701.db2.gz MOVCQBHVPPTCPR-SNVBAGLBSA-N 1 0 284.787 2.096 20 10 CECDRO COc1cccc(O)c1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000841106756 639683012 /nfs/dbraw/zinc/68/30/12/639683012.db2.gz PCWOKDYAZGRWBY-ZDUSSCGKSA-N 1 0 284.359 2.291 20 10 CECDRO CO[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000171130201 639701131 /nfs/dbraw/zinc/70/11/31/639701131.db2.gz GUXYOVFIBNEJFD-HNNXBMFYSA-N 1 0 261.365 2.492 20 10 CECDRO CCN(CCC[NH+](CC)CC)C(=O)Cc1ccc(N)cc1 ZINC000230695800 639780263 /nfs/dbraw/zinc/78/02/63/639780263.db2.gz HERJFCXBENRXFY-UHFFFAOYSA-N 1 0 291.439 2.392 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000841716954 639848358 /nfs/dbraw/zinc/84/83/58/639848358.db2.gz HKAHXGUVKAOTAE-OLZOCXBDSA-N 1 0 292.427 2.068 20 10 CECDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000841764826 639861416 /nfs/dbraw/zinc/86/14/16/639861416.db2.gz RUUDZDDBEJNAOF-WCQYABFASA-N 1 0 298.814 2.417 20 10 CECDRO Cc1noc(CCC[NH2+]Cc2c(C)cccc2O)n1 ZINC000877023944 650535394 /nfs/dbraw/zinc/53/53/94/650535394.db2.gz KUTRXSYGUFGIGC-UHFFFAOYSA-N 1 0 261.325 2.114 20 10 CECDRO CO[C@H](C[NH2+]Cc1c(C)cccc1O)C(F)(F)F ZINC000877028009 650537301 /nfs/dbraw/zinc/53/73/01/650537301.db2.gz UVRZKNXGSHIIKQ-LLVKDONJSA-N 1 0 263.259 2.368 20 10 CECDRO COc1ccc2c(c1)CCCN2CC[C@H]1CC[NH2+]C1 ZINC000842471652 640071001 /nfs/dbraw/zinc/07/10/01/640071001.db2.gz OWFVGRSDHKONET-CYBMUJFWSA-N 1 0 260.381 2.447 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c1O ZINC000842478600 640077698 /nfs/dbraw/zinc/07/76/98/640077698.db2.gz LDCOACARPABGLJ-ZWNOBZJWSA-N 1 0 294.370 2.151 20 10 CECDRO COc1ccc(C[NH2+]CCc2cn(C)cn2)cc1C ZINC000313304734 640201085 /nfs/dbraw/zinc/20/10/85/640201085.db2.gz RRZAYOZZNUDMJY-UHFFFAOYSA-N 1 0 259.353 2.069 20 10 CECDRO CN(C(=O)C1CC[NH+](C2CC2)CC1)c1ccc(N)cc1 ZINC000877075521 650561144 /nfs/dbraw/zinc/56/11/44/650561144.db2.gz FCWNCYLJXHQYQT-UHFFFAOYSA-N 1 0 273.380 2.106 20 10 CECDRO C[NH2+][C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843044458 640249780 /nfs/dbraw/zinc/24/97/80/640249780.db2.gz CGKHSAWSZSTPTL-XVWMLYKFSA-N 1 0 259.397 2.060 20 10 CECDRO C[NH2+]C1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000843049719 640253960 /nfs/dbraw/zinc/25/39/60/640253960.db2.gz TWCSJKFHFIVJDV-SNAWJCMRSA-N 1 0 273.424 2.450 20 10 CECDRO CCOc1ccc(O)c(CN2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000843051754 640255143 /nfs/dbraw/zinc/25/51/43/640255143.db2.gz LJUHNVOYJRBRIY-SWLSCSKDSA-N 1 0 278.396 2.350 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000152504990 640256272 /nfs/dbraw/zinc/25/62/72/640256272.db2.gz DCYIMPOBTZXFDP-UHFFFAOYSA-N 1 0 292.379 2.410 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CC[C@@H]1[NH3+] ZINC000843052741 640256353 /nfs/dbraw/zinc/25/63/53/640256353.db2.gz SHKFXQWVRZXZSE-GWCFXTLKSA-N 1 0 252.333 2.091 20 10 CECDRO C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052261 640256556 /nfs/dbraw/zinc/25/65/56/640256556.db2.gz RGCUOZWOCKUNFT-FZMZJTMJSA-N 1 0 265.376 2.061 20 10 CECDRO CC1(C)C[NH2+]CCN1Cc1c([O-])ccc(Cl)c1F ZINC000843054221 640257162 /nfs/dbraw/zinc/25/71/62/640257162.db2.gz GXPVMRYNIXISGJ-UHFFFAOYSA-N 1 0 272.751 2.369 20 10 CECDRO CN(C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccc(N)cc1 ZINC000877079201 650562979 /nfs/dbraw/zinc/56/29/79/650562979.db2.gz UXWWIXBQPMNWOX-UGFHNGPFSA-N 1 0 273.380 2.152 20 10 CECDRO C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843058739 640261824 /nfs/dbraw/zinc/26/18/24/640261824.db2.gz XFIHVOZAOZEKNW-DTWKUNHWSA-N 1 0 299.758 2.123 20 10 CECDRO C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843118049 640287368 /nfs/dbraw/zinc/28/73/68/640287368.db2.gz ZOKWEENAGZRXSI-CYBMUJFWSA-N 1 0 254.761 2.216 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CC[NH2+]C[C@@H]2C(F)F)cc1 ZINC000843124430 640290565 /nfs/dbraw/zinc/29/05/65/640290565.db2.gz AGRQTPWIJWHIIU-ABCZVMIZSA-N 1 0 295.377 2.305 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CC[NH2+]C[C@](C)(F)C2)cc1 ZINC000843124558 640291292 /nfs/dbraw/zinc/29/12/92/640291292.db2.gz CAAHFYIPGMUTAH-CHYADLBTSA-N 1 0 291.414 2.399 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125439 640291544 /nfs/dbraw/zinc/29/15/44/640291544.db2.gz WNVLESYWUYWOOI-STQMWFEESA-N 1 0 278.371 2.353 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c(O)c1 ZINC000877095209 650569969 /nfs/dbraw/zinc/56/99/69/650569969.db2.gz PPRXNXLFSDBKMB-SWLSCSKDSA-N 1 0 260.381 2.273 20 10 CECDRO CCCN(Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CC[NH2+]C1 ZINC000843349434 640398099 /nfs/dbraw/zinc/39/80/99/640398099.db2.gz ZFQCVEPNFOUPHA-CQSZACIVSA-N 1 0 294.370 2.308 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+]C[C@H]2C)c1O ZINC000843347781 640398799 /nfs/dbraw/zinc/39/87/99/640398799.db2.gz MAPIIWXVTWOKLE-SECBINFHSA-N 1 0 282.771 2.042 20 10 CECDRO COc1ccc(N(C)Cc2nc(C(C)(C)[NH3+])no2)cc1F ZINC000843359174 640403624 /nfs/dbraw/zinc/40/36/24/640403624.db2.gz JNXPMLPTNYKWAE-UHFFFAOYSA-N 1 0 294.330 2.048 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c1O ZINC000914432975 640403769 /nfs/dbraw/zinc/40/37/69/640403769.db2.gz INOWKGZQEBAZQS-KGLIPLIRSA-N 1 0 277.364 2.306 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1F ZINC000914433418 640404598 /nfs/dbraw/zinc/40/45/98/640404598.db2.gz PANOEUPOHKGSHV-HIFRSBDPSA-N 1 0 278.371 2.406 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COC[C@H]2C2CC2)c1 ZINC000914433130 640404989 /nfs/dbraw/zinc/40/49/89/640404989.db2.gz KMHSAVRKUNAIMK-LSDHHAIUSA-N 1 0 277.364 2.306 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+][C@H](C)[C@H]2C)c1O ZINC000843376857 640410158 /nfs/dbraw/zinc/41/01/58/640410158.db2.gz FGAJQTWYHRFXRO-NXEZZACHSA-N 1 0 296.798 2.430 20 10 CECDRO COc1ccc2c(c1)C[C@@H](C(C)C)CN2CCOCC[NH3+] ZINC000843390294 640414896 /nfs/dbraw/zinc/41/48/96/640414896.db2.gz SNKUVRRWSKEVKG-OAHLLOKOSA-N 1 0 292.423 2.305 20 10 CECDRO CCC[N@H+](Cc1cccc(OC)c1O)[C@H]1CCN(C)C1 ZINC000843423069 640424322 /nfs/dbraw/zinc/42/43/22/640424322.db2.gz VGTYMSCCMLGVKU-AWEZNQCLSA-N 1 0 278.396 2.317 20 10 CECDRO CC[C@@](C)(O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402931 640709632 /nfs/dbraw/zinc/70/96/32/640709632.db2.gz XDWOJNRSJXYAMT-MRXNPFEDSA-N 1 0 280.412 2.224 20 10 CECDRO CCn1nnc(C)c1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000845971791 641140386 /nfs/dbraw/zinc/14/03/86/641140386.db2.gz NCBJRMHOYQJPLD-JTQLQIEISA-N 1 0 290.367 2.171 20 10 CECDRO CCON(C)C(=O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000846062421 641167848 /nfs/dbraw/zinc/16/78/48/641167848.db2.gz HLFVCDGXZWDMPL-UHFFFAOYSA-N 1 0 288.347 2.045 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@]2(O)CCCOC2)c(Cl)c1 ZINC000846106286 641184262 /nfs/dbraw/zinc/18/42/62/641184262.db2.gz DSSQDNFQUGCMII-OAHLLOKOSA-N 1 0 299.798 2.375 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000846139735 641197332 /nfs/dbraw/zinc/19/73/32/641197332.db2.gz YNJWPJCJQUAHHA-CMPLNLGQSA-N 1 0 277.320 2.378 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCCN2CCCC2=O)c1O ZINC000846138958 641197736 /nfs/dbraw/zinc/19/77/36/641197736.db2.gz YPZRHBWLRUPNIJ-LBPRGKRZSA-N 1 0 292.379 2.064 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)CC(C)C)c1O ZINC000846142317 641199371 /nfs/dbraw/zinc/19/93/71/641199371.db2.gz RIJVZYVHZXWDKX-RYUDHWBXSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cc2cnccn2)c1O ZINC000846142486 641199534 /nfs/dbraw/zinc/19/95/34/641199534.db2.gz ULZPHEDQZBIGAW-VXGBXAGGSA-N 1 0 287.363 2.473 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)c1O ZINC000846145138 641202303 /nfs/dbraw/zinc/20/23/03/641202303.db2.gz MYINUAQMRMBVGF-TUAOUCFPSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)OC)c1O ZINC000846162864 641207916 /nfs/dbraw/zinc/20/79/16/641207916.db2.gz CWNGTJZJWXWUBK-GARJFASQSA-N 1 0 253.342 2.475 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1O ZINC000846168449 641210724 /nfs/dbraw/zinc/21/07/24/641210724.db2.gz CTWQEYUAUZGJIG-QWRGUYRKSA-N 1 0 287.363 2.332 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CO[C@H](C)C2)c1O ZINC000846170713 641211824 /nfs/dbraw/zinc/21/18/24/641211824.db2.gz CKWOSEPATFWGNJ-OUAUKWLOSA-N 1 0 251.326 2.229 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCC(C)(C)CO)c1O ZINC000846171091 641211988 /nfs/dbraw/zinc/21/19/88/641211988.db2.gz RINTVTRIVPERAA-NSHDSACASA-N 1 0 267.369 2.460 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1O ZINC000877255453 650644218 /nfs/dbraw/zinc/64/42/18/650644218.db2.gz DGIBUIMAFKGQTE-UXOAXIEHSA-N 1 0 288.391 2.490 20 10 CECDRO C[C@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1O ZINC000877257176 650644374 /nfs/dbraw/zinc/64/43/74/650644374.db2.gz MRDHLFIUIVFNRZ-PEYYIBSZSA-N 1 0 274.364 2.102 20 10 CECDRO Cc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c(O)c1O ZINC000179455374 641351175 /nfs/dbraw/zinc/35/11/75/641351175.db2.gz ASFHXVNCLQQONF-LBPRGKRZSA-N 1 0 294.395 2.112 20 10 CECDRO COc1ccc(N(C)CC2CC[NH+](C)CC2)cc1OC ZINC000846750181 641411095 /nfs/dbraw/zinc/41/10/95/641411095.db2.gz OAGFIQPGIPRWST-UHFFFAOYSA-N 1 0 278.396 2.482 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCn2ccnn2)c(O)c1 ZINC000126444567 650662027 /nfs/dbraw/zinc/66/20/27/650662027.db2.gz ZWIXJHKKYPXPRV-GFCCVEGCSA-N 1 0 260.341 2.033 20 10 CECDRO C[C@@H](O)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000076275452 641842120 /nfs/dbraw/zinc/84/21/20/641842120.db2.gz XPPYYBCOOBMHRB-CQSZACIVSA-N 1 0 262.397 2.393 20 10 CECDRO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185117712 641938068 /nfs/dbraw/zinc/93/80/68/641938068.db2.gz AKEQERDXOCAVPQ-DGCLKSJQSA-N 1 0 285.359 2.215 20 10 CECDRO COCCOC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769402169 642132922 /nfs/dbraw/zinc/13/29/22/642132922.db2.gz CNALFMWNAAKIAB-UHFFFAOYSA-N 1 0 295.379 2.028 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000848880622 642168332 /nfs/dbraw/zinc/16/83/32/642168332.db2.gz GMUHZANFMLWFCG-HNNXBMFYSA-N 1 0 288.391 2.198 20 10 CECDRO CCc1cccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)c1O ZINC000848886197 642170639 /nfs/dbraw/zinc/17/06/39/642170639.db2.gz UXCHVBCAZLZLEQ-LSDHHAIUSA-N 1 0 288.391 2.198 20 10 CECDRO CCc1cccc(C[NH2+]CCC(=O)Nc2ccccn2)c1O ZINC000848896081 642175453 /nfs/dbraw/zinc/17/54/53/642175453.db2.gz ZSQUBMPVJLRTPE-UHFFFAOYSA-N 1 0 299.374 2.468 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1O ZINC000848896552 642176866 /nfs/dbraw/zinc/17/68/66/642176866.db2.gz CPJZNCXKSYIDQP-AWEZNQCLSA-N 1 0 276.380 2.054 20 10 CECDRO CCc1cccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1O ZINC000848910158 642185357 /nfs/dbraw/zinc/18/53/57/642185357.db2.gz HLEDPOZKDFLBJP-CVEARBPZSA-N 1 0 291.391 2.334 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H]2CCOC[C@@H]2OC)c1O ZINC000848915845 642189535 /nfs/dbraw/zinc/18/95/35/642189535.db2.gz MNOXDLDWXXMIGO-HIFRSBDPSA-N 1 0 279.380 2.096 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000848918397 642192254 /nfs/dbraw/zinc/19/22/54/642192254.db2.gz YGEVQJPUGFJYHE-MQMHXKEQSA-N 1 0 290.407 2.336 20 10 CECDRO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000817982092 642192785 /nfs/dbraw/zinc/19/27/85/642192785.db2.gz XEPDMPGSFBFCPW-SKDRFNHKSA-N 1 0 256.296 2.040 20 10 CECDRO C[C@H](C[NH2+]Cc1cc(F)ccc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848924236 642195879 /nfs/dbraw/zinc/19/58/79/642195879.db2.gz YIJNOOHBQKQGIY-UPJWGTAASA-N 1 0 296.386 2.119 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000848925975 642196400 /nfs/dbraw/zinc/19/64/00/642196400.db2.gz IZVJCSQOVKHQIM-HOTGVXAUSA-N 1 0 273.307 2.279 20 10 CECDRO CCOc1ccc(C[N@H+](C[C@H](C)O)C2CC2)c(O)c1 ZINC000848928500 642199408 /nfs/dbraw/zinc/19/94/08/642199408.db2.gz FSQYUAGZKPKKLM-NSHDSACASA-N 1 0 265.353 2.136 20 10 CECDRO CN(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000921555314 642233828 /nfs/dbraw/zinc/23/38/28/642233828.db2.gz FQBBFCKOVZTEMP-MRXNPFEDSA-N 1 0 274.408 2.441 20 10 CECDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921563589 642243991 /nfs/dbraw/zinc/24/39/91/642243991.db2.gz NPRYLOXFITVVSQ-CYBMUJFWSA-N 1 0 288.391 2.112 20 10 CECDRO COc1ccc(N2CC[C@H](NCC[NH2+]C(C)(C)C)C2)cc1 ZINC000849350344 642340230 /nfs/dbraw/zinc/34/02/30/642340230.db2.gz NZELHVSRDOKFLL-AWEZNQCLSA-N 1 0 291.439 2.252 20 10 CECDRO CC(=O)Nc1ccc(C[NH2+]Cc2c(C)cccc2O)cn1 ZINC000877484467 650743249 /nfs/dbraw/zinc/74/32/49/650743249.db2.gz HCRLLWJCJYSGEL-UHFFFAOYSA-N 1 0 285.347 2.344 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000877487082 650745683 /nfs/dbraw/zinc/74/56/83/650745683.db2.gz UQZVMEZTZKNZEF-GRDNDAEWSA-N 1 0 291.391 2.469 20 10 CECDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2O)C1 ZINC000877490633 650747592 /nfs/dbraw/zinc/74/75/92/650747592.db2.gz BENSILCJIZGAHZ-AWEZNQCLSA-N 1 0 276.380 2.049 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC000877529381 650769800 /nfs/dbraw/zinc/76/98/00/650769800.db2.gz AZFMKFAITSWOBW-HNNXBMFYSA-N 1 0 288.391 2.145 20 10 CECDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877533247 650771579 /nfs/dbraw/zinc/77/15/79/650771579.db2.gz OHGLGHNMCKRYCG-AWEZNQCLSA-N 1 0 292.379 2.411 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccn3C)C2)cc1 ZINC000850345771 642674183 /nfs/dbraw/zinc/67/41/83/642674183.db2.gz KCWPEPZJDOZNNF-AWEZNQCLSA-N 1 0 285.391 2.402 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC[S@](=O)CC(F)(F)F)c1 ZINC000850348028 642675549 /nfs/dbraw/zinc/67/55/49/642675549.db2.gz CVIIXUOKTNOHKR-IBGZPJMESA-N 1 0 295.326 2.101 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c1 ZINC000850352103 642677954 /nfs/dbraw/zinc/67/79/54/642677954.db2.gz MIGMPIFZUVURDG-ZYHUDNBSSA-N 1 0 258.325 2.088 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1 ZINC000850355815 642679687 /nfs/dbraw/zinc/67/96/87/642679687.db2.gz LUWVGKPCTXOIEG-LPMFXHHGSA-N 1 0 281.421 2.480 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1O ZINC000850356638 642679785 /nfs/dbraw/zinc/67/97/85/642679785.db2.gz QUZYUIWBZBYZDK-UVARLRKDSA-N 1 0 297.420 2.180 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c(O)c1 ZINC000850389065 642696932 /nfs/dbraw/zinc/69/69/32/642696932.db2.gz SRWNVKUOLNINIY-CABCVRRESA-N 1 0 277.364 2.184 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCc2cncc(C)n2)c1 ZINC000850390581 642697378 /nfs/dbraw/zinc/69/73/78/642697378.db2.gz KDQSMXCMSFQICC-UHFFFAOYSA-N 1 0 257.337 2.131 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CCCc1ccco1)OCO2 ZINC000850407838 642702598 /nfs/dbraw/zinc/70/25/98/642702598.db2.gz PUDRWYAWJQQIQF-UHFFFAOYSA-N 1 0 275.304 2.436 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CCCn3nccc32)c1 ZINC000850442094 642714767 /nfs/dbraw/zinc/71/47/67/642714767.db2.gz ANVNDFKRRQXADR-ZDUSSCGKSA-N 1 0 273.336 2.222 20 10 CECDRO CON(C)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000850479283 642726058 /nfs/dbraw/zinc/72/60/58/642726058.db2.gz PFJZLCZNAVNXKB-ONGXEEELSA-N 1 0 268.332 2.162 20 10 CECDRO CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)c1ccccc1O ZINC000850485162 642729186 /nfs/dbraw/zinc/72/91/86/642729186.db2.gz YCDBVEORJZBNSN-NOLJZWGESA-N 1 0 279.380 2.484 20 10 CECDRO COC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000850493878 642731284 /nfs/dbraw/zinc/73/12/84/642731284.db2.gz KWKQGCLWDQAQRZ-GJZGRUSLSA-N 1 0 291.391 2.411 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)c2ncnn21 ZINC000850499803 642732631 /nfs/dbraw/zinc/73/26/31/642732631.db2.gz XTBXZMPHRVKOBS-ADEWGFFLSA-N 1 0 270.336 2.267 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)c(O)c1 ZINC000877568639 650793422 /nfs/dbraw/zinc/79/34/22/650793422.db2.gz TVQFBVOIMJBHBP-AWEZNQCLSA-N 1 0 297.420 2.100 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000877570582 650794357 /nfs/dbraw/zinc/79/43/57/650794357.db2.gz PSPGMTXOKLEQKF-LJQANCHMSA-N 1 0 281.421 2.434 20 10 CECDRO Cn1cncc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922133668 642897073 /nfs/dbraw/zinc/89/70/73/642897073.db2.gz AANKKYVGTLDYBM-UHFFFAOYSA-N 1 0 257.337 2.035 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2OCCCO2)cc1 ZINC000922277416 642996421 /nfs/dbraw/zinc/99/64/21/642996421.db2.gz AXZFNOFPVSQOHO-HYXAFXHYSA-N 1 0 276.380 2.118 20 10 CECDRO C[C@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCN1C ZINC000922554265 643123003 /nfs/dbraw/zinc/12/30/03/643123003.db2.gz DAMNHAPACLUGGI-WFASDCNBSA-N 1 0 260.381 2.194 20 10 CECDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000110380160 643286986 /nfs/dbraw/zinc/28/69/86/643286986.db2.gz XQZLRSLGLNJYTO-CQSZACIVSA-N 1 0 276.384 2.217 20 10 CECDRO Cc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c(O)c1 ZINC000877636278 650827759 /nfs/dbraw/zinc/82/77/59/650827759.db2.gz RNZFSKORYDGXHV-INIZCTEOSA-N 1 0 290.407 2.044 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1ccccc1O ZINC000852413340 643417918 /nfs/dbraw/zinc/41/79/18/643417918.db2.gz TWCOJVISBIUCRH-ZDUSSCGKSA-N 1 0 291.395 2.064 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@H](O)C12CCOCC2 ZINC000923021211 643514632 /nfs/dbraw/zinc/51/46/32/643514632.db2.gz RLFJPOFTIZYJKP-KGLIPLIRSA-N 1 0 297.782 2.065 20 10 CECDRO COc1cccc(C[NH2+][C@]23C[C@H]2COC32CCC2)c1O ZINC000923033694 643523379 /nfs/dbraw/zinc/52/33/79/643523379.db2.gz ZKCVRXZBGORGLO-BLLLJJGKSA-N 1 0 275.348 2.202 20 10 CECDRO CCc1nnc([C@H](C)N2CCCc3cc(C[NH3+])ccc32)[nH]1 ZINC000852740961 643527509 /nfs/dbraw/zinc/52/75/09/643527509.db2.gz MPBUSUNAKHTUBO-NSHDSACASA-N 1 0 285.395 2.340 20 10 CECDRO FC(F)Oc1ccc2c(c1)CCCN2C[C@H]1C[NH2+]CCO1 ZINC000852745374 643530869 /nfs/dbraw/zinc/53/08/69/643530869.db2.gz SLSPBAUIZLHKHV-CYBMUJFWSA-N 1 0 298.333 2.029 20 10 CECDRO Cc1ccc2c(c1)N(C(=O)C=C1CC[NH2+]CC1)CC2 ZINC000852825216 643566433 /nfs/dbraw/zinc/56/64/33/643566433.db2.gz HQOFFXUHBYALAF-UHFFFAOYSA-N 1 0 256.349 2.194 20 10 CECDRO CC[C@]1(O)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000877691721 650852849 /nfs/dbraw/zinc/85/28/49/650852849.db2.gz UMHBSZAHRJJEAG-AWEZNQCLSA-N 1 0 253.317 2.268 20 10 CECDRO CC[C@@]1(O)CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000877692719 650853401 /nfs/dbraw/zinc/85/34/01/650853401.db2.gz PUIVNKDDLVREJH-OAHLLOKOSA-N 1 0 265.353 2.138 20 10 CECDRO Cc1cc(C[N@H+](C)CC(C)(C)C[NH3+])ccc1N(C)C ZINC000923294802 643646234 /nfs/dbraw/zinc/64/62/34/643646234.db2.gz QBJWSPNCEJLOJF-UHFFFAOYSA-N 1 0 263.429 2.478 20 10 CECDRO Cc1cc(Cl)cc(CN2CC[C@@H](F)[C@H]([NH3+])C2)c1O ZINC000853248704 643722382 /nfs/dbraw/zinc/72/23/82/643722382.db2.gz XLSPNEVIXGXBEI-VXGBXAGGSA-N 1 0 272.751 2.225 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1C ZINC000853524575 643801684 /nfs/dbraw/zinc/80/16/84/643801684.db2.gz ZANGAEVDXDBBLA-CQSZACIVSA-N 1 0 286.379 2.123 20 10 CECDRO C[C@]12COC[C@@H]1C[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000853565629 643814803 /nfs/dbraw/zinc/81/48/03/643814803.db2.gz HXTYWEUBEHUYRZ-RDJZCZTQSA-N 1 0 273.376 2.349 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877743378 650888769 /nfs/dbraw/zinc/88/87/69/650888769.db2.gz KFORQDUAFFEYNF-DOTOQJQBSA-N 1 0 273.424 2.279 20 10 CECDRO CCOc1ccc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877744384 650890813 /nfs/dbraw/zinc/89/08/13/650890813.db2.gz SIKAAYUPYBLJBJ-BBRMVZONSA-N 1 0 290.407 2.317 20 10 CECDRO C[C@@H]1CN(C(=O)C2=CC(=O)CS2)CC[N@@H+](C2CCC2)C1 ZINC000854602798 644105721 /nfs/dbraw/zinc/10/57/21/644105721.db2.gz MFQMTWMJAOWRCW-NSHDSACASA-N 1 0 294.420 2.400 20 10 CECDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2O)on1 ZINC000877758263 650900262 /nfs/dbraw/zinc/90/02/62/650900262.db2.gz PSVCULVSBOXVCE-VIFPVBQESA-N 1 0 276.292 2.018 20 10 CECDRO CC[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839513354 644240158 /nfs/dbraw/zinc/24/01/58/644240158.db2.gz XDMMPFFWSDFQJF-CYBMUJFWSA-N 1 0 277.412 2.099 20 10 CECDRO CCOCc1cc(C[NH2+][C@H](CO)CC2CC2)ccc1OC ZINC000754832097 644437877 /nfs/dbraw/zinc/43/78/77/644437877.db2.gz FDNXGQKIKNVCFP-INIZCTEOSA-N 1 0 293.407 2.482 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c1O ZINC000877835392 650928028 /nfs/dbraw/zinc/92/80/28/650928028.db2.gz QWEMQKXBCBVPBI-CYBMUJFWSA-N 1 0 279.380 2.384 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCC2CC2)c(O)c1 ZINC000756509360 644656661 /nfs/dbraw/zinc/65/66/61/644656661.db2.gz AWSMBKFZKCYSCE-TZMCWYRMSA-N 1 0 279.380 2.139 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)c(O)c1C ZINC000756656602 644679951 /nfs/dbraw/zinc/67/99/51/644679951.db2.gz YXMAVWCPERAWDW-PBHICJAKSA-N 1 0 293.407 2.449 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c(O)c1 ZINC000756762278 644690112 /nfs/dbraw/zinc/69/01/12/644690112.db2.gz XEOOAAULNHJHKS-HEHGZKQESA-N 1 0 278.396 2.070 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c(O)c1 ZINC000756762283 644690564 /nfs/dbraw/zinc/69/05/64/644690564.db2.gz XEOOAAULNHJHKS-ZENOOKHLSA-N 1 0 278.396 2.070 20 10 CECDRO CC[NH+](CC)CC(=O)NCCCSc1nccs1 ZINC000114375245 644694714 /nfs/dbraw/zinc/69/47/14/644694714.db2.gz JFLNHMKBPFBLAG-UHFFFAOYSA-N 1 0 287.454 2.083 20 10 CECDRO C[C@@H]([NH2+]Cc1cnccn1)c1ccc(N2CCOCC2)cc1 ZINC000856767373 644714536 /nfs/dbraw/zinc/71/45/36/644714536.db2.gz LXYPAUAVUZLRMS-CQSZACIVSA-N 1 0 298.390 2.164 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1O ZINC000839668895 644764286 /nfs/dbraw/zinc/76/42/86/644764286.db2.gz JZVFRRIFDSJDPF-JQWIXIFHSA-N 1 0 295.354 2.327 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000857067648 644808529 /nfs/dbraw/zinc/80/85/29/644808529.db2.gz CJYZXDHAPNXNKR-OAHLLOKOSA-N 1 0 284.359 2.256 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)n1 ZINC000757636464 644828608 /nfs/dbraw/zinc/82/86/08/644828608.db2.gz HIKCFSCLVKVPCH-GZMMTYOYSA-N 1 0 290.342 2.338 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)C2CCOCC2)c(O)c1C ZINC000757656447 644831694 /nfs/dbraw/zinc/83/16/94/644831694.db2.gz AAOVNZDMLQIUAL-CZUORRHYSA-N 1 0 293.407 2.447 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1C ZINC000758506743 644935259 /nfs/dbraw/zinc/93/52/59/644935259.db2.gz SEEZPJDTRBMVFY-CQSZACIVSA-N 1 0 271.364 2.374 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2cncn2C)cc1 ZINC000857783084 644967881 /nfs/dbraw/zinc/96/78/81/644967881.db2.gz SGOREZVYOKJJJQ-SNAWJCMRSA-N 1 0 284.407 2.332 20 10 CECDRO CC1(O)CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000759752002 645071184 /nfs/dbraw/zinc/07/11/84/645071184.db2.gz OWEVQYVQUHPMLK-UHFFFAOYSA-N 1 0 272.348 2.287 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)C2CCC2)cc1F ZINC000858186820 645083378 /nfs/dbraw/zinc/08/33/78/645083378.db2.gz MQGIIMJSJIEEHJ-AWEZNQCLSA-N 1 0 284.350 2.281 20 10 CECDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000858249404 645098154 /nfs/dbraw/zinc/09/81/54/645098154.db2.gz PTTNBNHSKKBWAA-KOMQPUFPSA-N 1 0 296.370 2.413 20 10 CECDRO C[C@H]([NH2+]C[C@H]1COCCN1C)c1ccc(Cl)cc1O ZINC000858523957 645190759 /nfs/dbraw/zinc/19/07/59/645190759.db2.gz ZUKXEPWAIDSOEV-JQWIXIFHSA-N 1 0 284.787 2.027 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2COCCN2C)cc1 ZINC000858522500 645190870 /nfs/dbraw/zinc/19/08/70/645190870.db2.gz ZZKVAMTXYGKADP-WMLDXEAASA-N 1 0 291.439 2.124 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)c1O ZINC000858601318 645218416 /nfs/dbraw/zinc/21/84/16/645218416.db2.gz DWJFXHLMSOVNAZ-YPMHNXCESA-N 1 0 298.814 2.071 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(CCO)CC2)cc1F ZINC000768236897 646099944 /nfs/dbraw/zinc/09/99/44/646099944.db2.gz LJHDEZSKNWUOQJ-UHFFFAOYSA-N 1 0 280.387 2.486 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCOC[C@H]2C)cc1OC ZINC000768462937 646126683 /nfs/dbraw/zinc/12/66/83/646126683.db2.gz OZXQJNNKIPHMGF-LLVKDONJSA-N 1 0 281.352 2.020 20 10 CECDRO Oc1cc2c(cc1C[NH+]1C[C@@H]3CCCC[C@H]3C1)[C@@H](O)CO2 ZINC000768465245 646128598 /nfs/dbraw/zinc/12/85/98/646128598.db2.gz YQQMPBBACLSBMJ-MKBNYLNASA-N 1 0 289.375 2.440 20 10 CECDRO CCOc1ccc(CN2CCC([NH+](C)C)CC2)c(O)c1 ZINC000768530887 646135921 /nfs/dbraw/zinc/13/59/21/646135921.db2.gz ZUFXJYAXZCMHRN-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO COc1cccc(O)c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000768900800 646179687 /nfs/dbraw/zinc/17/96/87/646179687.db2.gz JLEVWSDMLQSGSQ-AWEZNQCLSA-N 1 0 290.407 2.461 20 10 CECDRO CCOc1ccc(CN2CCC[C@H]([NH+](C)C)C2)c(O)c1 ZINC000769301677 646239250 /nfs/dbraw/zinc/23/92/50/646239250.db2.gz BPRRRMUTKAEVMP-AWEZNQCLSA-N 1 0 278.396 2.317 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769310586 646241962 /nfs/dbraw/zinc/24/19/62/646241962.db2.gz IVOAOOJAUIEOJZ-CYBMUJFWSA-N 1 0 287.363 2.434 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](COC)C2)c(O)c1 ZINC000769398088 646260040 /nfs/dbraw/zinc/26/00/40/646260040.db2.gz FXUYEJKWUDKFMX-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c(O)c1 ZINC000769485385 646276546 /nfs/dbraw/zinc/27/65/46/646276546.db2.gz PWELTUXIAWRNPB-HNNXBMFYSA-N 1 0 277.364 2.402 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)OC)C2)c1O ZINC000769514491 646280484 /nfs/dbraw/zinc/28/04/84/646280484.db2.gz IKWXOGFNHGQJDG-AAEUAGOBSA-N 1 0 293.363 2.032 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1 ZINC000769526475 646282096 /nfs/dbraw/zinc/28/20/96/646282096.db2.gz LTUUDGCQIUFADW-MRXNPFEDSA-N 1 0 291.391 2.471 20 10 CECDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(O)cccc1Br ZINC000862339381 646404265 /nfs/dbraw/zinc/40/42/65/646404265.db2.gz RMUWHPROXCMYSU-RKDXNWHRSA-N 1 0 286.169 2.110 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000770666257 646423354 /nfs/dbraw/zinc/42/33/54/646423354.db2.gz XKBSCORBFCYOSM-UHFFFAOYSA-N 1 0 276.380 2.186 20 10 CECDRO CCOc1cccc(C[N@H+](CCO)[C@@H](C)CC)c1O ZINC000862387812 646432123 /nfs/dbraw/zinc/43/21/23/646432123.db2.gz QLLYBOGMRQTBPP-LBPRGKRZSA-N 1 0 267.369 2.384 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000770752356 646434274 /nfs/dbraw/zinc/43/42/74/646434274.db2.gz NMLUBMIOKFMOPD-NHYWBVRUSA-N 1 0 297.782 2.473 20 10 CECDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862396066 646437530 /nfs/dbraw/zinc/43/75/30/646437530.db2.gz GQIXRLRNOBHFNX-NEPJUHHUSA-N 1 0 298.377 2.481 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2cc(C)ccc2O)[nH]1 ZINC000862476341 646473308 /nfs/dbraw/zinc/47/33/08/646473308.db2.gz QEFOVOCALKHYLJ-UHFFFAOYSA-N 1 0 274.320 2.105 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1O ZINC000862528801 646485258 /nfs/dbraw/zinc/48/52/58/646485258.db2.gz JJCXMHUCYKWKDI-WMLDXEAASA-N 1 0 291.391 2.385 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000773415174 646736531 /nfs/dbraw/zinc/73/65/31/646736531.db2.gz LVRGYMMQOUUNBW-LBPRGKRZSA-N 1 0 293.363 2.176 20 10 CECDRO C[C@@H]1CC[C@@H](NCc2c(O)cccc2Cl)C[NH2+]1 ZINC000863484207 646740113 /nfs/dbraw/zinc/74/01/13/646740113.db2.gz IAZRDDVBPQZZES-NXEZZACHSA-N 1 0 254.761 2.276 20 10 CECDRO CCOCc1cc(CN[C@@H]2CC[NH2+][C@H]2C)ccc1OC ZINC000863486581 646740234 /nfs/dbraw/zinc/74/02/34/646740234.db2.gz AHYSSEGLIRDUAF-SWLSCSKDSA-N 1 0 278.396 2.072 20 10 CECDRO CCOc1cccc(CN[C@@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863484952 646740315 /nfs/dbraw/zinc/74/03/15/646740315.db2.gz QNNIHDOOAINSTN-WCQYABFASA-N 1 0 264.369 2.021 20 10 CECDRO CC(C)(C)CNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000863541183 646751196 /nfs/dbraw/zinc/75/11/96/646751196.db2.gz XZHUYXJGXNOAKA-UHFFFAOYSA-N 1 0 289.423 2.060 20 10 CECDRO CC[C@H]([NH2+]CCOCCC[NH3+])c1cccc(Cl)c1[O-] ZINC000863548193 646753913 /nfs/dbraw/zinc/75/39/13/646753913.db2.gz VPDZMOPGVCKMNH-ZDUSSCGKSA-N 1 0 286.803 2.452 20 10 CECDRO CCN(C)c1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1 ZINC000773729238 646770437 /nfs/dbraw/zinc/77/04/37/646770437.db2.gz GSELJZKHISLRSV-UHFFFAOYSA-N 1 0 289.423 2.230 20 10 CECDRO CCN(C)c1ccc(C[NH2+][C@]2(CCOC)CCOC2)cc1 ZINC000773943153 646788576 /nfs/dbraw/zinc/78/85/76/646788576.db2.gz LSHQTQDNCSLJOF-QGZVFWFLSA-N 1 0 292.423 2.428 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CO)C(C)(C)C)c(O)c1 ZINC000775058954 646920494 /nfs/dbraw/zinc/92/04/94/646920494.db2.gz FOTDUFSNJLOHFO-CQSZACIVSA-N 1 0 267.369 2.288 20 10 CECDRO COC1(CO)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000775205319 646930141 /nfs/dbraw/zinc/93/01/41/646930141.db2.gz XNSDMBMYXZLHPZ-UHFFFAOYSA-N 1 0 285.771 2.019 20 10 CECDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2O)C1 ZINC000775348201 646944054 /nfs/dbraw/zinc/94/40/54/646944054.db2.gz UIFIKCXKQLQCCG-TZMCWYRMSA-N 1 0 292.379 2.349 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CCO)C2)cc1OC ZINC000775682495 646981097 /nfs/dbraw/zinc/98/10/97/646981097.db2.gz ZCBIJVTVYQZZFV-LBPRGKRZSA-N 1 0 295.379 2.004 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H]1OC ZINC000775977399 647012303 /nfs/dbraw/zinc/01/23/03/647012303.db2.gz CFSHQXZTERUFKK-YUTCNCBUSA-N 1 0 285.771 2.328 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H]1OC ZINC000775977396 647012431 /nfs/dbraw/zinc/01/24/31/647012431.db2.gz CFSHQXZTERUFKK-BNOWGMLFSA-N 1 0 285.771 2.328 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)c1O ZINC000775986464 647012998 /nfs/dbraw/zinc/01/29/98/647012998.db2.gz QUNIRCOOQNRXNB-QWHCGFSZSA-N 1 0 278.396 2.315 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)[C@H](C)CN1C ZINC000775986255 647013864 /nfs/dbraw/zinc/01/38/64/647013864.db2.gz QOUNBRDGGGNPSG-ZIAGYGMSSA-N 1 0 261.413 2.277 20 10 CECDRO COCC1=CC[N@H+](Cc2c(O)cccc2OC)CC1 ZINC000775993894 647014462 /nfs/dbraw/zinc/01/44/62/647014462.db2.gz DHJUAYOTEMRXRE-UHFFFAOYSA-N 1 0 263.337 2.179 20 10 CECDRO Cn1ccnc1[C@@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000776482197 647065510 /nfs/dbraw/zinc/06/55/10/647065510.db2.gz IYOALQRTWLLQHD-AWEZNQCLSA-N 1 0 257.337 2.367 20 10 CECDRO CC[C@@H](COC)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000120225108 647102525 /nfs/dbraw/zinc/10/25/25/647102525.db2.gz PCOIYSVESNAODR-LBPRGKRZSA-N 1 0 254.349 2.406 20 10 CECDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)c(F)c2)CCC1 ZINC000777439279 647137021 /nfs/dbraw/zinc/13/70/21/647137021.db2.gz BZGJXUDCYDBORB-UHFFFAOYSA-N 1 0 294.370 2.467 20 10 CECDRO CCOc1ccc(C[NH2+]C2(CO)CCCC2)c(O)c1 ZINC000777486413 647140752 /nfs/dbraw/zinc/14/07/52/647140752.db2.gz LHLZJFMFXHKJNJ-UHFFFAOYSA-N 1 0 265.353 2.186 20 10 CECDRO Cn1ncc2cc(C[NH2+]Cc3ccc4c(c3)CCO4)cnc21 ZINC000865440827 647294195 /nfs/dbraw/zinc/29/41/95/647294195.db2.gz NOJMPTNEXSIOAQ-UHFFFAOYSA-N 1 0 294.358 2.193 20 10 CECDRO COCCc1ncc(C[NH2+]Cc2ccccc2O)s1 ZINC000865442324 647295257 /nfs/dbraw/zinc/29/52/57/647295257.db2.gz MKUIIERNDMLUHL-UHFFFAOYSA-N 1 0 278.377 2.327 20 10 CECDRO Cc1cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)ccc1N(C)C ZINC000779414355 647320795 /nfs/dbraw/zinc/32/07/95/647320795.db2.gz XTCDKBXTMKXRIO-LSDHHAIUSA-N 1 0 262.397 2.310 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@@H](O)C(F)F)cc1 ZINC000865688219 647423313 /nfs/dbraw/zinc/42/33/13/647423313.db2.gz VQLAWFKOZNRHJL-VQTKUKTRSA-N 1 0 284.350 2.372 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000865691241 647425590 /nfs/dbraw/zinc/42/55/90/647425590.db2.gz WAGFQCDRKXJQQM-UHIISALHSA-N 1 0 265.353 2.446 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)cc1OC ZINC000780891855 647477673 /nfs/dbraw/zinc/47/76/73/647477673.db2.gz AOAOKUABIYAURT-RYUDHWBXSA-N 1 0 295.379 2.002 20 10 CECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1c(O)cccc1OC ZINC000865871329 647513534 /nfs/dbraw/zinc/51/35/34/647513534.db2.gz BPVSKBJSCQSOGO-GHMZBOCLSA-N 1 0 253.342 2.040 20 10 CECDRO C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccccc1O ZINC000783499805 647721460 /nfs/dbraw/zinc/72/14/60/647721460.db2.gz BKOKWBNETYBYQV-LBPRGKRZSA-N 1 0 285.347 2.467 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCC3(CNC(=O)O3)CC2)cc1C ZINC000783722166 647751759 /nfs/dbraw/zinc/75/17/59/647751759.db2.gz XPNCYUAOGOUWFQ-UHFFFAOYSA-N 1 0 290.363 2.083 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccnn1C ZINC000866616153 647843280 /nfs/dbraw/zinc/84/32/80/647843280.db2.gz ZJJNYFVYWWRUFT-ZYHUDNBSSA-N 1 0 257.337 2.464 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1C ZINC000784621718 647870433 /nfs/dbraw/zinc/87/04/33/647870433.db2.gz URTHQTQZPGVFJY-AWEZNQCLSA-N 1 0 297.420 2.066 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CCCCO)c2c1c(F)ccc2O ZINC000786939683 648057885 /nfs/dbraw/zinc/05/78/85/648057885.db2.gz DZEFLXKQHLYTJX-KOLCDFICSA-N 1 0 253.317 2.442 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)[C@@H]1C ZINC000787246484 648090154 /nfs/dbraw/zinc/09/01/54/648090154.db2.gz QEEMHISXVLZIRA-DGCLKSJQSA-N 1 0 293.363 2.093 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC[C@H](OC)C(F)(F)F)c1 ZINC000787417747 648106805 /nfs/dbraw/zinc/10/68/05/648106805.db2.gz PJTMYWNLNSJKNW-LBPRGKRZSA-N 1 0 293.285 2.458 20 10 CECDRO C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868366661 648109616 /nfs/dbraw/zinc/10/96/16/648109616.db2.gz TZMTXBADJHSHBC-RYUDHWBXSA-N 1 0 279.384 2.093 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000788268587 648167297 /nfs/dbraw/zinc/16/72/97/648167297.db2.gz GKOWXGAKLVDDLX-GZMMTYOYSA-N 1 0 271.744 2.009 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c(O)c1 ZINC000788971055 648239396 /nfs/dbraw/zinc/23/93/96/648239396.db2.gz ANOFTWQARCLTTG-WCQYABFASA-N 1 0 265.353 2.042 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)Cc2cnn(C)c2C)c1O ZINC000790418263 648414460 /nfs/dbraw/zinc/41/44/60/648414460.db2.gz STLKTRDTJMKRPF-UHFFFAOYSA-N 1 0 289.379 2.383 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1C ZINC000790619738 648435471 /nfs/dbraw/zinc/43/54/71/648435471.db2.gz RGZIXZQGCMKQNA-GDBMZVCRSA-N 1 0 295.423 2.257 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000792198680 648624065 /nfs/dbraw/zinc/62/40/65/648624065.db2.gz BBFIBVNONZGHFR-KGLIPLIRSA-N 1 0 276.380 2.184 20 10 CECDRO CC[C@@]1([NH2+]Cc2cc(F)cc(C(C)=O)c2O)CCOC1 ZINC000792419785 648645095 /nfs/dbraw/zinc/64/50/95/648645095.db2.gz SXSOFXITGPATLE-OAHLLOKOSA-N 1 0 281.327 2.393 20 10 CECDRO COc1c(O)c(C[NH+]2CC(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000793188840 648720984 /nfs/dbraw/zinc/72/09/84/648720984.db2.gz JKUMBWZPXLJMRR-UHFFFAOYSA-N 1 0 280.324 2.397 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CCC(C3CC3)CC1)[C@@H](O)CO2 ZINC000793631577 648783854 /nfs/dbraw/zinc/78/38/54/648783854.db2.gz OZFMSGQHYPELPR-INIZCTEOSA-N 1 0 289.375 2.440 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1F ZINC000870875696 648940508 /nfs/dbraw/zinc/94/05/08/648940508.db2.gz HQTRXICQWOBULK-BETUJISGSA-N 1 0 293.386 2.025 20 10 CECDRO CCC[C@](C)([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000870988061 648971258 /nfs/dbraw/zinc/97/12/58/648971258.db2.gz FIWQKTOWWLLCEI-YGRLFVJLSA-N 1 0 250.342 2.087 20 10 CECDRO C[C@H](NC(=O)CCC1CC[NH2+]CC1)c1ccccc1O ZINC000870988795 648971534 /nfs/dbraw/zinc/97/15/34/648971534.db2.gz ZPIFUEJUYUKZJY-LBPRGKRZSA-N 1 0 276.380 2.349 20 10 CECDRO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000870988745 648971760 /nfs/dbraw/zinc/97/17/60/648971760.db2.gz YHISYCWJDHQPEZ-QWHCGFSZSA-N 1 0 276.380 2.349 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1F ZINC000872265632 649334128 /nfs/dbraw/zinc/33/41/28/649334128.db2.gz LCRYPKZKQYTDPO-TXEJJXNPSA-N 1 0 282.334 2.109 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C(C)=O)C2)cc1OC ZINC000872800860 649492563 /nfs/dbraw/zinc/49/25/63/649492563.db2.gz GRVZUJBZMCNIFN-LBPRGKRZSA-N 1 0 293.363 2.210 20 10 CECDRO CCCOc1ccc(C[NH2+]CCCNC(C)=O)cc1C ZINC000873008450 649529593 /nfs/dbraw/zinc/52/95/93/649529593.db2.gz LLLPZUKGJCNAQD-UHFFFAOYSA-N 1 0 278.396 2.400 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1C ZINC000873036611 649538774 /nfs/dbraw/zinc/53/87/74/649538774.db2.gz UUOQNPJXDLALBO-CQSZACIVSA-N 1 0 276.380 2.104 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1C[C@@H]3CCC[C@H]3O1)OCO2 ZINC000873156930 649574635 /nfs/dbraw/zinc/57/46/35/649574635.db2.gz OVIZPIVZNQJYQO-VHRBIJSZSA-N 1 0 291.347 2.168 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2ccc(OC)nc2)c1O ZINC000020186189 649735429 /nfs/dbraw/zinc/73/54/29/649735429.db2.gz HPWNHLMLYFQCND-UHFFFAOYSA-N 1 0 288.347 2.484 20 10 CECDRO C[NH+](C)CC1(C(=O)NCCCSc2nccs2)CC1 ZINC000874466399 649779308 /nfs/dbraw/zinc/77/93/08/649779308.db2.gz OAWXQMXAKJLGSN-UHFFFAOYSA-N 1 0 299.465 2.083 20 10 CECDRO C[N@@H+]1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000022865220 651171600 /nfs/dbraw/zinc/17/16/00/651171600.db2.gz QYYLMLCJNUODAR-UHFFFAOYSA-N 1 0 254.761 2.183 20 10 CECDRO CC(C)OC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000879648703 651335182 /nfs/dbraw/zinc/33/51/82/651335182.db2.gz ZUGQQZMMWSGZDG-LLVKDONJSA-N 1 0 251.326 2.385 20 10 CECDRO COC(=O)CCCC[NH2+][C@@H](C)c1ccccc1O ZINC000879650221 651335209 /nfs/dbraw/zinc/33/52/09/651335209.db2.gz QEXGHYLEVNJUQP-NSHDSACASA-N 1 0 251.326 2.386 20 10 CECDRO C[C@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccccc1O ZINC000879649681 651335433 /nfs/dbraw/zinc/33/54/33/651335433.db2.gz BWDLVGWWGNBMKN-NSHDSACASA-N 1 0 272.352 2.245 20 10 CECDRO CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651430 651335585 /nfs/dbraw/zinc/33/55/85/651335585.db2.gz VHFIKXJMSCHBCZ-NWDGAFQWSA-N 1 0 264.369 2.298 20 10 CECDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccccc1O ZINC000879650343 651335855 /nfs/dbraw/zinc/33/58/55/651335855.db2.gz VQURSUONRMJGGE-JTQLQIEISA-N 1 0 290.323 2.156 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](O)C(F)F ZINC000883133436 652374027 /nfs/dbraw/zinc/37/40/27/652374027.db2.gz YYABHUZOEBZOGM-ONGXEEELSA-N 1 0 281.249 2.165 20 10 CECDRO CC1(C)CC[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)OC1 ZINC000883243758 652412808 /nfs/dbraw/zinc/41/28/08/652412808.db2.gz WSVRMONWKCQKPX-LBPRGKRZSA-N 1 0 293.363 2.416 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)c1O ZINC000883273663 652420757 /nfs/dbraw/zinc/42/07/57/652420757.db2.gz QBXLDPVKSHAFNA-SRVKXCTJSA-N 1 0 265.353 2.476 20 10 CECDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000884180390 652744143 /nfs/dbraw/zinc/74/41/43/652744143.db2.gz XFRDQLNBIINVTB-HNNXBMFYSA-N 1 0 277.412 2.003 20 10 CECDRO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccccc1O ZINC000135719463 652980185 /nfs/dbraw/zinc/98/01/85/652980185.db2.gz YNLMTBHAWQJBEF-LLVKDONJSA-N 1 0 264.369 2.348 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)NCC(C)C)c1 ZINC000135727382 652983837 /nfs/dbraw/zinc/98/38/37/652983837.db2.gz SPCHUVYPIXIMSN-VXGBXAGGSA-N 1 0 294.395 2.212 20 10 CECDRO Oc1ccc(C(F)(F)F)cc1CN1CCC[NH2+]CC1 ZINC001204683800 806039768 /nfs/dbraw/zinc/03/97/68/806039768.db2.gz ARXSTNUFVYMLJP-UHFFFAOYSA-N 1 0 274.286 2.206 20 10 CECDRO C[C@@H]1C[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CCO1 ZINC001168134591 806264731 /nfs/dbraw/zinc/26/47/31/806264731.db2.gz BKVBTLJZFXWMMV-RISCZKNCSA-N 1 0 277.364 2.414 20 10 CECDRO C[NH+]1CC(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)C1 ZINC001142598676 806749779 /nfs/dbraw/zinc/74/97/79/806749779.db2.gz CHXGHQOYNGDFBL-UHFFFAOYSA-N 1 0 295.386 2.364 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCN(c3cccnn3)CC2)c1O ZINC001140182247 802670733 /nfs/dbraw/zinc/67/07/33/802670733.db2.gz MJJYSUZCGGWSTD-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO C[C@H]1CN(Cc2c(O)cccc2Br)C[C@H](C)[NH2+]1 ZINC000706855317 802843148 /nfs/dbraw/zinc/84/31/48/802843148.db2.gz BXSWPHKTPCJKIY-UWVGGRQHSA-N 1 0 299.212 2.337 20 10 CECDRO C[C@H](CCO)C[NH2+]Cc1c(O)cccc1Br ZINC000706872010 802846687 /nfs/dbraw/zinc/84/66/87/802846687.db2.gz WMYBLMBBANSYED-SECBINFHSA-N 1 0 288.185 2.263 20 10 CECDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1c(O)cccc1Br ZINC000706867086 802846992 /nfs/dbraw/zinc/84/69/92/802846992.db2.gz OJBBKHJHUCDHSG-VHSXEESVSA-N 1 0 299.212 2.337 20 10 CECDRO Oc1cc(Cl)ccc1C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001140463214 802938083 /nfs/dbraw/zinc/93/80/83/802938083.db2.gz WABRUTMMRIVQKL-RYUDHWBXSA-N 1 0 273.735 2.340 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)[C@@H](C)CO1 ZINC000403841967 803132521 /nfs/dbraw/zinc/13/25/21/803132521.db2.gz STRMGJFQZCWEBI-WCQYABFASA-N 1 0 265.353 2.400 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)[C@H]1CO ZINC001140582631 803178359 /nfs/dbraw/zinc/17/83/59/803178359.db2.gz KYJZTGISGSSQKK-RNCFNFMXSA-N 1 0 271.307 2.263 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2O)CC12CC2 ZINC001140953451 803627884 /nfs/dbraw/zinc/62/78/84/803627884.db2.gz ATGTUCSERBYPRD-ZDUSSCGKSA-N 1 0 275.348 2.086 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCCN(CC)C2=O)c1O ZINC000722354297 804348641 /nfs/dbraw/zinc/34/86/41/804348641.db2.gz RIWFUGVCLCAUDQ-CQSZACIVSA-N 1 0 276.380 2.055 20 10 CECDRO CC(C)N(C)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000054110951 804477508 /nfs/dbraw/zinc/47/75/08/804477508.db2.gz HQMHLBZTAMWWNB-UHFFFAOYSA-N 1 0 256.777 2.475 20 10 CECDRO C[N@H+](Cc1cnc2c(c1)OCCO2)Cc1ccccc1O ZINC001139733585 804522439 /nfs/dbraw/zinc/52/24/39/804522439.db2.gz ANCWHUFFAOXZAV-UHFFFAOYSA-N 1 0 286.331 2.190 20 10 CECDRO COCn1ncc(C)c1C[NH2+][C@H](C)c1ccccc1O ZINC001119288321 815083085 /nfs/dbraw/zinc/08/30/85/815083085.db2.gz AMSHABSUNOMNCN-GFCCVEGCSA-N 1 0 275.352 2.352 20 10 CECDRO COCC[C@@H](COC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000311492527 807379248 /nfs/dbraw/zinc/37/92/48/807379248.db2.gz CLWOVLBRWIDOFF-AWEZNQCLSA-N 1 0 267.369 2.145 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1O ZINC001233486103 807408704 /nfs/dbraw/zinc/40/87/04/807408704.db2.gz YOZGNHQJEYSYEQ-GFCCVEGCSA-N 1 0 271.263 2.035 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](O)C(F)F)c(O)c1 ZINC000716775370 815146269 /nfs/dbraw/zinc/14/62/69/815146269.db2.gz UEOKFEVKLPSOKH-ONGXEEELSA-N 1 0 259.296 2.367 20 10 CECDRO CN(C)c1ccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(Cl)c1 ZINC001235984104 807905997 /nfs/dbraw/zinc/90/59/97/807905997.db2.gz ASKUGYIPHPGZAP-SWLSCSKDSA-N 1 0 279.815 2.329 20 10 CECDRO [NH3+][C@]12CC[C@@H]1CN(Cc1c(O)cccc1Br)C2 ZINC001235998748 807916836 /nfs/dbraw/zinc/91/68/36/807916836.db2.gz ZICVQWMUSHNBHM-RNCFNFMXSA-N 1 0 297.196 2.078 20 10 CECDRO [NH3+][C@]12CC[C@H]1CN(Cc1c(O)cccc1Br)C2 ZINC001235998752 807917504 /nfs/dbraw/zinc/91/75/04/807917504.db2.gz ZICVQWMUSHNBHM-ZANVPECISA-N 1 0 297.196 2.078 20 10 CECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cccc(OC)c1O ZINC000716915334 815159753 /nfs/dbraw/zinc/15/97/53/815159753.db2.gz KHHHHSAMTOLZBI-JQWIXIFHSA-N 1 0 253.342 2.040 20 10 CECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(OC)ccc1O ZINC000716915416 815159897 /nfs/dbraw/zinc/15/98/97/815159897.db2.gz KJYWECTXIMETTL-CMPLNLGQSA-N 1 0 253.342 2.040 20 10 CECDRO CCCCC(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001123682491 807940676 /nfs/dbraw/zinc/94/06/76/807940676.db2.gz SDLYBOAFPSFGDT-UHFFFAOYSA-N 1 0 278.396 2.400 20 10 CECDRO CC(C)(C)c1ccc(O)c(CN2C[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001236290256 808047762 /nfs/dbraw/zinc/04/77/62/808047762.db2.gz JLYIWYTWVUEVQX-JSGCOSHPSA-N 1 0 260.381 2.093 20 10 CECDRO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(F)c(Cl)cc1O ZINC001237941329 808266452 /nfs/dbraw/zinc/26/64/52/808266452.db2.gz VFDUGQIXVNWMRK-UWVGGRQHSA-N 1 0 270.735 2.073 20 10 CECDRO CC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001203555914 808696691 /nfs/dbraw/zinc/69/66/91/808696691.db2.gz JYJXXBSJPWCXRB-QGZVFWFLSA-N 1 0 288.391 2.369 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)[C@@H]1C ZINC001203557106 808701133 /nfs/dbraw/zinc/70/11/33/808701133.db2.gz ZDAVMESMQFLTGP-YPMHNXCESA-N 1 0 263.337 2.166 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206157179 815299239 /nfs/dbraw/zinc/29/92/39/815299239.db2.gz XATYWGWDJQKBJK-CHWSQXEVSA-N 1 0 282.359 2.052 20 10 CECDRO C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@H]1CCC[NH+](C)C1 ZINC000703483346 809652959 /nfs/dbraw/zinc/65/29/59/809652959.db2.gz QCKJDQCGCBOJRM-NSHDSACASA-N 1 0 284.350 2.444 20 10 CECDRO C[C@@H](F)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000705789514 809790236 /nfs/dbraw/zinc/79/02/36/809790236.db2.gz QUVJKJLTGGWUCC-CYBMUJFWSA-N 1 0 266.360 2.361 20 10 CECDRO CC[NH2+][C@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000707986776 809916594 /nfs/dbraw/zinc/91/65/94/809916594.db2.gz RURZWGYWZNHYDJ-CYBMUJFWSA-N 1 0 277.412 2.099 20 10 CECDRO C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000708412587 809929656 /nfs/dbraw/zinc/92/96/56/809929656.db2.gz JPJSXFCWGOCLDL-LLVKDONJSA-N 1 0 284.350 2.444 20 10 CECDRO C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])C[NH+]1CCCC1 ZINC000708557818 809945651 /nfs/dbraw/zinc/94/56/51/809945651.db2.gz BOVDMHMLCFEITG-NSHDSACASA-N 1 0 284.350 2.492 20 10 CECDRO C[NH+]1CCC(C)(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708558560 809945942 /nfs/dbraw/zinc/94/59/42/809945942.db2.gz JFADNBZTVAUGGQ-UHFFFAOYSA-N 1 0 284.350 2.492 20 10 CECDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172181511 815331114 /nfs/dbraw/zinc/33/11/14/815331114.db2.gz XRONDFUNAXOQEG-CABCVRRESA-N 1 0 288.391 2.368 20 10 CECDRO CC(C)(C)OCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000710023883 809978967 /nfs/dbraw/zinc/97/89/67/809978967.db2.gz PBXPHERMZOVWFC-UHFFFAOYSA-N 1 0 281.352 2.416 20 10 CECDRO CC1(C[NH2+]CCCSc2nccs2)COC1 ZINC000381365546 810368778 /nfs/dbraw/zinc/36/87/78/810368778.db2.gz DXFKEMTUXAWEEK-UHFFFAOYSA-N 1 0 258.412 2.251 20 10 CECDRO CC(C)(C[NH3+])CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001121909215 815365205 /nfs/dbraw/zinc/36/52/05/815365205.db2.gz JVWHHNCNRJWDHS-UHFFFAOYSA-N 1 0 289.423 2.278 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000115489892 810593508 /nfs/dbraw/zinc/59/35/08/810593508.db2.gz QLECWVFUNSBLCG-MRXNPFEDSA-N 1 0 291.439 2.263 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCO2)c(O)c1 ZINC000379242022 810689197 /nfs/dbraw/zinc/68/91/97/810689197.db2.gz XNNLMMFHLWSAPJ-NHYWBVRUSA-N 1 0 265.353 2.448 20 10 CECDRO COc1cc(Cl)cc(CN2CC[NH2+][C@@H](C)[C@H]2C)c1O ZINC000379436603 811032872 /nfs/dbraw/zinc/03/28/72/811032872.db2.gz NIWQTQJGRBGFBX-VHSXEESVSA-N 1 0 284.787 2.236 20 10 CECDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1cc(Cl)ccc1O ZINC000379501895 811050127 /nfs/dbraw/zinc/05/01/27/811050127.db2.gz WWQPNGIJJIBBJI-VHSXEESVSA-N 1 0 254.761 2.228 20 10 CECDRO C[C@H](O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000691413062 811103798 /nfs/dbraw/zinc/10/37/98/811103798.db2.gz GHYOGMCDDRRWGM-QMMMGPOBSA-N 1 0 274.158 2.015 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CCC[C@H]1C[NH3+] ZINC001205995791 811293373 /nfs/dbraw/zinc/29/33/73/811293373.db2.gz QLQJHTKIOMVPAW-NEPJUHHUSA-N 1 0 266.360 2.338 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1O ZINC001168985351 811311006 /nfs/dbraw/zinc/31/10/06/811311006.db2.gz DNCNNQMPDXWBGE-WCQYABFASA-N 1 0 264.325 2.236 20 10 CECDRO CC[NH+]1CCC(N2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001169261951 811451968 /nfs/dbraw/zinc/45/19/68/811451968.db2.gz RYLABROLNWCFHA-UHFFFAOYSA-N 1 0 290.407 2.330 20 10 CECDRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2O)CO1 ZINC001169349788 811487049 /nfs/dbraw/zinc/48/70/49/811487049.db2.gz QSHUHPGLZRGEAM-TYNCELHUSA-N 1 0 293.363 2.154 20 10 CECDRO CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001169483775 811528790 /nfs/dbraw/zinc/52/87/90/811528790.db2.gz GLSRKIFYOSYKIS-CYBMUJFWSA-N 1 0 290.407 2.397 20 10 CECDRO CC[C@@H](CCO)[NH2+]Cc1ccc(Br)cc1O ZINC000691455402 811859743 /nfs/dbraw/zinc/85/97/43/811859743.db2.gz OXGYAXYLDQZKEJ-NSHDSACASA-N 1 0 288.185 2.405 20 10 CECDRO Oc1ccc(CNc2cccn3c[nH+]cc23)cc1O ZINC001169996525 811876105 /nfs/dbraw/zinc/87/61/05/811876105.db2.gz AWPBNCRGWXDXNL-UHFFFAOYSA-N 1 0 255.277 2.358 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000691490677 811957790 /nfs/dbraw/zinc/95/77/90/811957790.db2.gz ZTRYHMGWZDPCCC-QWRGUYRKSA-N 1 0 286.169 2.158 20 10 CECDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1ccc(O)cc1O ZINC001172744038 815500143 /nfs/dbraw/zinc/50/01/43/815500143.db2.gz MXHJPJBEFHKIEV-LLVKDONJSA-N 1 0 281.352 2.308 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001170525242 812621853 /nfs/dbraw/zinc/62/18/53/812621853.db2.gz QXRNVLJHWHMZFZ-ZIAGYGMSSA-N 1 0 277.364 2.435 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@H](C)O ZINC000386816557 813191411 /nfs/dbraw/zinc/19/14/11/813191411.db2.gz SRQAISCJMMLULQ-KWQFWETISA-N 1 0 288.185 2.404 20 10 CECDRO COCC[C@H](COC)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000388819738 813242925 /nfs/dbraw/zinc/24/29/25/813242925.db2.gz WEMMABSEGLQYHP-CHWSQXEVSA-N 1 0 267.369 2.403 20 10 CECDRO Cc1cc(C[NH2+]Cc2cc3c(cc2O)OCO3)ccn1 ZINC000391154217 813275901 /nfs/dbraw/zinc/27/59/01/813275901.db2.gz DORWKDQWEYJAMV-UHFFFAOYSA-N 1 0 272.304 2.114 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2COC(C)(C)C2)c1O ZINC000396546018 813573769 /nfs/dbraw/zinc/57/37/69/813573769.db2.gz MWVHKQCPVWVHEM-GFCCVEGCSA-N 1 0 265.353 2.448 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@]2(C)CCOC2)c1O ZINC000397119664 813600874 /nfs/dbraw/zinc/60/08/74/813600874.db2.gz LWNDKJUEUSJARC-OAHLLOKOSA-N 1 0 265.353 2.307 20 10 CECDRO COCCC(C)(C)[NH2+]Cc1cccc(OC)c1O ZINC000397926087 813647137 /nfs/dbraw/zinc/64/71/37/813647137.db2.gz RKMVUDLWLYNCJU-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1O ZINC000398774038 813683573 /nfs/dbraw/zinc/68/35/73/813683573.db2.gz BCDLTAGMJSOHOC-CMPLNLGQSA-N 1 0 295.354 2.184 20 10 CECDRO CCc1cccc(C[NH2+]Cc2cc(C)nn2C)c1O ZINC000691439543 814593441 /nfs/dbraw/zinc/59/34/41/814593441.db2.gz ZGQLAMUXUFRDAM-UHFFFAOYSA-N 1 0 259.353 2.286 20 10 CECDRO CCc1cccc(C[NH2+]CC2(S(=O)(=O)CC)CC2)c1O ZINC000693463739 814621815 /nfs/dbraw/zinc/62/18/15/814621815.db2.gz UYMKGSVCZQSEIF-UHFFFAOYSA-N 1 0 297.420 2.012 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccccc1O ZINC000694778791 814637041 /nfs/dbraw/zinc/63/70/41/814637041.db2.gz YIOUTEFJQHGMPY-NWDGAFQWSA-N 1 0 283.393 2.010 20 10 CECDRO Cc1ccc(C)c(CN2C[C@H]([NH3+])CC(F)(F)C2)c1O ZINC001206132881 814727952 /nfs/dbraw/zinc/72/79/52/814727952.db2.gz RVAUENXPPGDZHF-LLVKDONJSA-N 1 0 270.323 2.177 20 10 CECDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000712555782 814765610 /nfs/dbraw/zinc/76/56/10/814765610.db2.gz HIJWXMFMQVIHCI-CZUORRHYSA-N 1 0 261.413 2.497 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@@]1(C)O ZINC001138123632 815731338 /nfs/dbraw/zinc/73/13/38/815731338.db2.gz DCZFWGXGYYRNAK-QMTHXVAHSA-N 1 0 253.317 2.124 20 10 CECDRO CCCC[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC001138127666 815733461 /nfs/dbraw/zinc/73/34/61/815733461.db2.gz KOCBXHLQVVASGQ-UHFFFAOYSA-N 1 0 266.360 2.449 20 10 CECDRO Oc1c(F)cccc1CN1CC([NH+]2CCCCC2)C1 ZINC001138128351 815734347 /nfs/dbraw/zinc/73/43/47/815734347.db2.gz FBLHAYQKNPCKCJ-UHFFFAOYSA-N 1 0 264.344 2.201 20 10 CECDRO Cc1c(C[NH+]2CCN(C)CC2)c2ccccc2n1C ZINC001138252478 815754846 /nfs/dbraw/zinc/75/48/46/815754846.db2.gz IDSNDBSZKCBKAO-UHFFFAOYSA-N 1 0 257.381 2.234 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCOC4(CC4)C3)ccc21 ZINC001138359067 815775145 /nfs/dbraw/zinc/77/51/45/815775145.db2.gz JDACFJDKXFENFV-UHFFFAOYSA-N 1 0 272.392 2.434 20 10 CECDRO COc1cc(CN(C)CC(F)F)cc(C[NH+](C)C)c1O ZINC001139260460 815998389 /nfs/dbraw/zinc/99/83/89/815998389.db2.gz SKLZGZVQHRTUDP-UHFFFAOYSA-N 1 0 288.338 2.159 20 10 CECDRO Cc1cc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)ccc1N(C)C ZINC001139669714 816075939 /nfs/dbraw/zinc/07/59/39/816075939.db2.gz JCGURJOXCCGHQV-ZFWWWQNUSA-N 1 0 262.397 2.406 20 10 CECDRO C[N@@H+]1C[C@H]2CCCN(Cc3cc(F)ccc3O)[C@@H]2C1 ZINC001140055339 816178694 /nfs/dbraw/zinc/17/86/94/816178694.db2.gz SGAUYWLPDVOBDM-BXUZGUMPSA-N 1 0 264.344 2.057 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCCC2(COC2)C1 ZINC001140063651 816182661 /nfs/dbraw/zinc/18/26/61/816182661.db2.gz UQIYHKKBBQQSGA-UHFFFAOYSA-N 1 0 251.301 2.144 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178830 816203854 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COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000134244066 366302608 /nfs/dbraw/zinc/30/26/08/366302608.db2.gz BPCQPYGYXPKMLB-KWBADKCTSA-N 1 0 251.326 2.229 20 10 CECDRO CC[C@]1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCC[NH2+]1 ZINC000134584465 366341788 /nfs/dbraw/zinc/34/17/88/366341788.db2.gz ZMQQXFUJCYUVJP-MRXNPFEDSA-N 1 0 293.386 2.040 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(Cn3ccnn3)CC2)c1 ZINC000092098758 364075584 /nfs/dbraw/zinc/07/55/84/364075584.db2.gz ZKKNPMDQPLVJQX-UHFFFAOYSA-N 1 0 286.379 2.204 20 10 CECDRO C[C@@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N(C)C)cc1 ZINC000090662179 364063778 /nfs/dbraw/zinc/06/37/78/364063778.db2.gz VXRWUXGYEZOSDT-CQSZACIVSA-N 1 0 292.423 2.192 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000093813955 364230664 /nfs/dbraw/zinc/23/06/64/364230664.db2.gz KKXKDNCQMZOAIE-OAHLLOKOSA-N 1 0 263.337 2.086 20 10 CECDRO CCCOc1ccc(C[NH2+]CC(C)(C)O)c(O)c1 ZINC000111385901 364732587 /nfs/dbraw/zinc/73/25/87/364732587.db2.gz PGUALBNGUNGURD-UHFFFAOYSA-N 1 0 253.342 2.042 20 10 CECDRO C[C@H]([NH2+]Cc1cnnn1C)c1cc(Cl)ccc1O ZINC000287264985 376191234 /nfs/dbraw/zinc/19/12/34/376191234.db2.gz IRRZEAATYVYKHG-QMMMGPOBSA-N 1 0 266.732 2.025 20 10 CECDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccccc3O)[C@H]2C1 ZINC000245629245 370851689 /nfs/dbraw/zinc/85/16/89/370851689.db2.gz UQUXZCHFSJBNDS-YCPHGPKFSA-N 1 0 277.364 2.161 20 10 CECDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1ccccc1O ZINC000167467315 367340338 /nfs/dbraw/zinc/34/03/38/367340338.db2.gz MTLSXTRHMBKFLG-VGTOOOLASA-N 1 0 255.383 2.200 20 10 CECDRO CCC[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000168771354 367360297 /nfs/dbraw/zinc/36/02/97/367360297.db2.gz DGXDICSGKLLZNU-MNOVXSKESA-N 1 0 253.342 2.212 20 10 CECDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1O ZINC000179585543 368343213 /nfs/dbraw/zinc/34/32/13/368343213.db2.gz OYYXGZIGBVBSKV-CABCVRRESA-N 1 0 260.381 2.451 20 10 CECDRO Cc1cccc(C[NH+]2CCC3(CC2)OCCO3)c1O ZINC000179665590 368346695 /nfs/dbraw/zinc/34/66/95/368346695.db2.gz DFQSUDWWQNBSGY-UHFFFAOYSA-N 1 0 263.337 2.040 20 10 CECDRO CCOC(=O)CN(Cc1ccccc1O)C(C)C ZINC000179949620 368359503 /nfs/dbraw/zinc/35/95/03/368359503.db2.gz CBMKGNKTYRTIEM-UHFFFAOYSA-N 1 0 251.326 2.166 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c(O)c1 ZINC000185361491 368797406 /nfs/dbraw/zinc/79/74/06/368797406.db2.gz PBRAKAYAEDEUGD-AWEZNQCLSA-N 1 0 292.423 2.462 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@H]3CC[C@H](C)O3)CC2)cc1 ZINC000188535296 369371226 /nfs/dbraw/zinc/37/12/26/369371226.db2.gz NOIMNTOFLLAMJY-WMLDXEAASA-N 1 0 290.407 2.385 20 10 CECDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cccc(C)c2O)C1(C)C ZINC000188908072 369427647 /nfs/dbraw/zinc/42/76/47/369427647.db2.gz VREXSYRLETYNSF-WMLDXEAASA-N 1 0 293.407 2.356 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000189958846 369583579 /nfs/dbraw/zinc/58/35/79/369583579.db2.gz RBFISSNDQXNUTJ-IUODEOHRSA-N 1 0 279.380 2.432 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000189981312 369584252 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20 10 CECDRO COCCn1cc(C[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000281912998 394874485 /nfs/dbraw/zinc/87/44/85/394874485.db2.gz ACYQZNGRUKBCOG-GFCCVEGCSA-N 1 0 275.352 2.086 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)c1O ZINC000124709126 394839901 /nfs/dbraw/zinc/83/99/01/394839901.db2.gz IYDYLPIRXCNAFK-HUUCEWRRSA-N 1 0 260.381 2.417 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1OC ZINC000362240330 394849928 /nfs/dbraw/zinc/84/99/28/394849928.db2.gz VEDDMMDRWNNPNZ-WBMJQRKESA-N 1 0 293.363 2.067 20 10 CECDRO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000128920053 394855554 /nfs/dbraw/zinc/85/55/54/394855554.db2.gz XIEMIUBSZJHDRA-AWEZNQCLSA-N 1 0 276.380 2.110 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000132602803 394933873 /nfs/dbraw/zinc/93/38/73/394933873.db2.gz BYCSAXVJTOSZJV-AWEZNQCLSA-N 1 0 265.353 2.402 20 10 CECDRO Cc1cc(C)n(CCC[NH2+]Cc2ccccc2O)n1 ZINC000134225540 394956448 /nfs/dbraw/zinc/95/64/48/394956448.db2.gz XLBWBPLSRDYORQ-UHFFFAOYSA-N 1 0 259.353 2.385 20 10 CECDRO COCCC[N@H+](CCOC)Cc1cc(C)ccc1O ZINC000133088788 394943904 /nfs/dbraw/zinc/94/39/04/394943904.db2.gz QVEHFXLDRQIFNB-UHFFFAOYSA-N 1 0 267.369 2.186 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1nccn1C(F)F ZINC000134229943 394957092 /nfs/dbraw/zinc/95/70/92/394957092.db2.gz SJRQVUDLVVIJGE-UHFFFAOYSA-N 1 0 253.252 2.274 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000135201707 394963570 /nfs/dbraw/zinc/96/35/70/394963570.db2.gz RUEGBRCWRXPLAD-GDBMZVCRSA-N 1 0 290.407 2.038 20 10 CECDRO COCCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000151634032 394977838 /nfs/dbraw/zinc/97/78/38/394977838.db2.gz FKQNNPSNQDXZEJ-AWEZNQCLSA-N 1 0 278.396 2.210 20 10 CECDRO CN(C)c1ccc(C2=CC[N@H+](CCN3CCCC3=O)C2)cc1 ZINC000372798572 395046781 /nfs/dbraw/zinc/04/67/81/395046781.db2.gz FNAFVYVYNCMJLW-UHFFFAOYSA-N 1 0 299.418 2.074 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000373491241 395062071 /nfs/dbraw/zinc/06/20/71/395062071.db2.gz ULGNTMVNWDIQHA-UKRRQHHQSA-N 1 0 263.337 2.154 20 10 CECDRO Cc1cccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c1O ZINC000158101698 395037727 /nfs/dbraw/zinc/03/77/27/395037727.db2.gz LTAYGDAPARRYHM-UHFFFAOYSA-N 1 0 290.407 2.437 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c1 ZINC000372756982 395045915 /nfs/dbraw/zinc/04/59/15/395045915.db2.gz ICHRQMRYFAFHJI-CABCVRRESA-N 1 0 289.375 2.271 20 10 CECDRO COc1ccc(O)c(C[NH2+]C2(C3CC3)CCOCC2)c1 ZINC000376385233 395118845 /nfs/dbraw/zinc/11/88/45/395118845.db2.gz KOALVURLJZJODZ-UHFFFAOYSA-N 1 0 277.364 2.450 20 10 CECDRO C[NH+](C)[C@H]1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000375943545 395104257 /nfs/dbraw/zinc/10/42/57/395104257.db2.gz VSQNDTMWWZIMMZ-AWEZNQCLSA-N 1 0 266.360 2.447 20 10 CECDRO CC(C)N(C)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000177676281 395154195 /nfs/dbraw/zinc/15/41/95/395154195.db2.gz RHZVYSYXWARPKK-LBPRGKRZSA-N 1 0 264.369 2.079 20 10 CECDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000183243455 395254735 /nfs/dbraw/zinc/25/47/35/395254735.db2.gz IISKKMNJWMIFSX-NSHDSACASA-N 1 0 281.327 2.306 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@](C)(O)C2)ccc1N(C)C ZINC000293704757 395247925 /nfs/dbraw/zinc/24/79/25/395247925.db2.gz DDDAYHVHNSVJME-INIZCTEOSA-N 1 0 262.397 2.408 20 10 CECDRO O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccccc2O)CCN1 ZINC000179561426 395195160 /nfs/dbraw/zinc/19/51/60/395195160.db2.gz GFFBXMYBMFSMOB-INIZCTEOSA-N 1 0 296.370 2.455 20 10 CECDRO COc1cccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1O ZINC000293051283 395215875 /nfs/dbraw/zinc/21/58/75/395215875.db2.gz ROFZXTVBLPTHPK-ABAIWWIYSA-N 1 0 265.353 2.042 20 10 CECDRO CCOC(=O)C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000183463462 395257408 /nfs/dbraw/zinc/25/74/08/395257408.db2.gz UQYOZOPRNJQVBV-UHFFFAOYSA-N 1 0 277.364 2.476 20 10 CECDRO COc1cc(O)c(C[N@H+](C)Cc2ccncc2)cc1OC ZINC000183739266 395261200 /nfs/dbraw/zinc/26/12/00/395261200.db2.gz VLVMFHLTVDZXTC-UHFFFAOYSA-N 1 0 288.347 2.436 20 10 CECDRO Oc1ccccc1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000183666782 395261353 /nfs/dbraw/zinc/26/13/53/395261353.db2.gz OAJCKVKSWQSQPZ-UHFFFAOYSA-N 1 0 283.375 2.105 20 10 CECDRO C[C@H]([NH3+])CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000193300719 395405887 /nfs/dbraw/zinc/40/58/87/395405887.db2.gz HLWNJQDNJMOULO-ZDUSSCGKSA-N 1 0 275.396 2.030 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](OC)C2)c1O ZINC000091772489 260266576 /nfs/dbraw/zinc/26/65/76/260266576.db2.gz JSRWOMYPLMBWJW-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000153134732 261073478 /nfs/dbraw/zinc/07/34/78/261073478.db2.gz JMTZGAJMTPDQLX-XBXGTLAGSA-N 1 0 279.380 2.432 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1C ZINC000153141536 261074331 /nfs/dbraw/zinc/07/43/31/261074331.db2.gz PNWFCWFPXVTYBI-AWEZNQCLSA-N 1 0 262.397 2.393 20 10 CECDRO CC[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccccc1O ZINC000155280292 261100092 /nfs/dbraw/zinc/10/00/92/261100092.db2.gz CVAKHGFATHGFKO-INIZCTEOSA-N 1 0 292.423 2.280 20 10 CECDRO COc1cc(O)c(C[N@H+](C)C[C@H]2CCCCO2)cc1OC ZINC000159920400 261198359 /nfs/dbraw/zinc/19/83/59/261198359.db2.gz UJOZLJAFICBZCU-CYBMUJFWSA-N 1 0 295.379 2.410 20 10 CECDRO CC[C@H]([NH2+]CC(=O)NC(C)C)c1ccc(N(C)C)cc1 ZINC000160953634 261232902 /nfs/dbraw/zinc/23/29/02/261232902.db2.gz YMJPHAWQFDQAFY-HNNXBMFYSA-N 1 0 277.412 2.318 20 10 CECDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000166350631 261388218 /nfs/dbraw/zinc/38/82/18/261388218.db2.gz YMIFNPKIKMPABI-OAHLLOKOSA-N 1 0 289.423 2.048 20 10 CECDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000179335567 261779638 /nfs/dbraw/zinc/77/96/38/261779638.db2.gz VJTKONLUYOSGDY-AWEZNQCLSA-N 1 0 276.380 2.110 20 10 CECDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(F)ccc1O ZINC000184889269 262032529 /nfs/dbraw/zinc/03/25/29/262032529.db2.gz VBMRPSHUHARORF-LLVKDONJSA-N 1 0 280.343 2.194 20 10 CECDRO C[C@@H]([NH2+]CCC(=O)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000185264699 262048411 /nfs/dbraw/zinc/04/84/11/262048411.db2.gz BFKRZGGCRCHLSG-GFCCVEGCSA-N 1 0 290.407 2.400 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185467030 262055834 /nfs/dbraw/zinc/05/58/34/262055834.db2.gz OLPUSRFJLRVBQW-HZMBPMFUSA-N 1 0 287.787 2.484 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Cl)ccc1O ZINC000185502456 262057134 /nfs/dbraw/zinc/05/71/34/262057134.db2.gz QUQLMOYFWUWLPP-MWLCHTKSSA-N 1 0 282.771 2.317 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185512206 262057827 /nfs/dbraw/zinc/05/78/27/262057827.db2.gz RZFVVKSISSIFOP-IGJMFERPSA-N 1 0 273.373 2.294 20 10 CECDRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cc(F)ccc1O ZINC000185639561 262063407 /nfs/dbraw/zinc/06/34/07/262063407.db2.gz MEQISNCSZHHUNA-NOZJJQNGSA-N 1 0 271.357 2.050 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000186088264 262078927 /nfs/dbraw/zinc/07/89/27/262078927.db2.gz XLGDHNIPKOQBBG-MWLCHTKSSA-N 1 0 294.782 2.460 20 10 CECDRO COC[C@@H](O)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186203080 262084738 /nfs/dbraw/zinc/08/47/38/262084738.db2.gz YKBYBKNKYOZDON-DOMZBBRYSA-N 1 0 293.407 2.319 20 10 CECDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000186539977 262097871 /nfs/dbraw/zinc/09/78/71/262097871.db2.gz AWTZBLQBXKHZEZ-KSRUKNBBSA-N 1 0 275.801 2.463 20 10 CECDRO Cc1ncc(/C=C\C(=O)N2C[C@H]([NH3+])Cc3ccccc32)s1 ZINC000493334431 262148957 /nfs/dbraw/zinc/14/89/57/262148957.db2.gz KDCJLSCODHZXKZ-FMFIFOJESA-N 1 0 299.399 2.381 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCC(=O)N(C)C)c(O)c1 ZINC000185194368 262302149 /nfs/dbraw/zinc/30/21/49/262302149.db2.gz FCJLHLQTPWNDEP-LBPRGKRZSA-N 1 0 264.369 2.220 20 10 CECDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000272543281 263006187 /nfs/dbraw/zinc/00/61/87/263006187.db2.gz PPNXEPSESJJJMF-AAEUAGOBSA-N 1 0 266.360 2.094 20 10 CECDRO COc1cccc(C[N@H+](C(C)C)[C@@H]2CCOC2)c1O ZINC000291241882 263120972 /nfs/dbraw/zinc/12/09/72/263120972.db2.gz LHNRZCKBKRKRPA-CYBMUJFWSA-N 1 0 265.353 2.400 20 10 CECDRO O[C@H]1c2ccccc2OC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000288528428 264684217 /nfs/dbraw/zinc/68/42/17/264684217.db2.gz JYASRZLQXVCRQN-QAPCUYQASA-N 1 0 297.354 2.206 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H]3CCC[C@H]3O)CC2)cc1 ZINC000362035172 266920431 /nfs/dbraw/zinc/92/04/31/266920431.db2.gz ZOCZTKBQDHRTDN-DLBZAZTESA-N 1 0 290.407 2.167 20 10 CECDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccccc3O)C2)cn1 ZINC000367440847 267090326 /nfs/dbraw/zinc/09/03/26/267090326.db2.gz LWEGPIUGHDRDBP-CYBMUJFWSA-N 1 0 271.364 2.190 20 10 CECDRO COc1ccc(O)c([C@H](C)[N@H+](C)[C@H]2CCCCNC2=O)c1 ZINC000368015242 267135188 /nfs/dbraw/zinc/13/51/88/267135188.db2.gz CIUAWWBWTXQVNR-FZMZJTMJSA-N 1 0 292.379 2.062 20 10 CECDRO CC[C@@H](c1ccccc1O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000369613324 267254974 /nfs/dbraw/zinc/25/49/74/267254974.db2.gz IAZUKXYYBZTXNP-ZFWWWQNUSA-N 1 0 278.396 2.106 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)cc1C ZINC000377272320 268063124 /nfs/dbraw/zinc/06/31/24/268063124.db2.gz BLQAYBTWSHZDKF-WMLDXEAASA-N 1 0 291.391 2.389 20 10 CECDRO OC[C@H]1c2ccccc2CC[N@H+]1Cc1ccccc1O ZINC000271244781 275050349 /nfs/dbraw/zinc/05/03/49/275050349.db2.gz BTQIQXLTBQMDFW-INIZCTEOSA-N 1 0 269.344 2.484 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)[C@H]1OC ZINC000272683495 276353106 /nfs/dbraw/zinc/35/31/06/276353106.db2.gz TWIOIYQQONZKDW-NUEKZKHPSA-N 1 0 296.386 2.174 20 10 CECDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000292952087 277240982 /nfs/dbraw/zinc/24/09/82/277240982.db2.gz CCGIWVOZOULGKG-INIZCTEOSA-N 1 0 289.423 2.162 20 10 CECDRO CC[C@@](C)(CCO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000182626609 327814526 /nfs/dbraw/zinc/81/45/26/327814526.db2.gz OJNODSQHACWUPK-HNNXBMFYSA-N 1 0 283.368 2.050 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)CC(C)(C)O)c1O ZINC000295006882 327593126 /nfs/dbraw/zinc/59/31/26/327593126.db2.gz JCGVNXQMAAGQLO-LLVKDONJSA-N 1 0 267.369 2.430 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCN2C)C(C)(C)n1cncn1 ZINC000375071913 328999943 /nfs/dbraw/zinc/99/99/43/328999943.db2.gz WPTZEDLZBCUYMM-CYBMUJFWSA-N 1 0 299.422 2.184 20 10 CECDRO CO[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000378628094 329056871 /nfs/dbraw/zinc/05/68/71/329056871.db2.gz CFNBYYPGXZNZAI-GFCCVEGCSA-N 1 0 279.336 2.122 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000226582982 333265306 /nfs/dbraw/zinc/26/53/06/333265306.db2.gz OZYSBXQBIVIDKW-AWEZNQCLSA-N 1 0 283.343 2.207 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CC[C@H]1CCCCO1)OCO2 ZINC000227338511 333280952 /nfs/dbraw/zinc/28/09/52/333280952.db2.gz BDEZBPRDCZTRLN-GFCCVEGCSA-N 1 0 279.336 2.170 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCSCC2)c(O)c1 ZINC000230661671 333320025 /nfs/dbraw/zinc/32/00/25/333320025.db2.gz OHWRKQQGIHETDN-ZDUSSCGKSA-N 1 0 280.437 2.400 20 10 CECDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccccc1O ZINC000134230635 334085149 /nfs/dbraw/zinc/08/51/49/334085149.db2.gz PCZCMSNAILIZFJ-ZDUSSCGKSA-N 1 0 270.332 2.248 20 10 CECDRO Cc1ccc(O)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000251138173 334357130 /nfs/dbraw/zinc/35/71/30/334357130.db2.gz BMKCEALBRHAOGH-HNNXBMFYSA-N 1 0 260.381 2.371 20 10 CECDRO CCOC(CC[NH2+]Cc1cc(F)ccc1O)OCC ZINC000276153572 521629301 /nfs/dbraw/zinc/62/93/01/521629301.db2.gz GURUYCVOXFCOCS-UHFFFAOYSA-N 1 0 271.332 2.410 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+](C)C2(CO)CCC2)c1O ZINC000292085273 518284783 /nfs/dbraw/zinc/28/47/83/518284783.db2.gz GEUUWJGIZKRLEK-UHFFFAOYSA-N 1 0 281.327 2.081 20 10 CECDRO CCOc1ccc(O)c(CN2CC[NH+](C(C)C)CC2)c1 ZINC000127033836 521143044 /nfs/dbraw/zinc/14/30/44/521143044.db2.gz MUDQPSDCXDRACE-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CC)C(C)(C)O)c1O ZINC000293011473 521370092 /nfs/dbraw/zinc/37/00/92/521370092.db2.gz NZOXHMFNZWWOGV-ZDUSSCGKSA-N 1 0 267.369 2.430 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000037155468 521371210 /nfs/dbraw/zinc/37/12/10/521371210.db2.gz LBTXUTDYONWZAA-LBPRGKRZSA-N 1 0 275.352 2.166 20 10 CECDRO CCCN(Cc1ccnc(OC)n1)c1ccc(C[NH3+])cc1 ZINC000296635748 521690991 /nfs/dbraw/zinc/69/09/91/521690991.db2.gz CCGNTOYGCYYMOW-UHFFFAOYSA-N 1 0 286.379 2.361 20 10 CECDRO CCCN(Cc1cnc(N(C)C)nc1)c1ccc(C[NH3+])cc1 ZINC000278349862 521691549 /nfs/dbraw/zinc/69/15/49/521691549.db2.gz IOUMFYWQPHPEEF-UHFFFAOYSA-N 1 0 299.422 2.418 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCN(CCOC)C1)c1ccc(C)cc1O ZINC000279973792 522757153 /nfs/dbraw/zinc/75/71/53/522757153.db2.gz DDTHQZBRRHJPMY-HOCLYGCPSA-N 1 0 292.423 2.462 20 10 CECDRO COCC(C)(C)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000292220305 522808898 /nfs/dbraw/zinc/80/88/98/522808898.db2.gz ABFJXXKMHOKYDT-UHFFFAOYSA-N 1 0 283.368 2.172 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(C)cc1O ZINC000279990259 522922183 /nfs/dbraw/zinc/92/21/83/522922183.db2.gz FGUZHFRIMZETNF-ZIAGYGMSSA-N 1 0 276.380 2.410 20 10 CECDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000289591477 523406905 /nfs/dbraw/zinc/40/69/05/523406905.db2.gz KMITUAPIKZGEFU-NSHDSACASA-N 1 0 254.349 2.358 20 10 CECDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000291928574 524099746 /nfs/dbraw/zinc/09/97/46/524099746.db2.gz ONCXHISWHWKSFL-QWRGUYRKSA-N 1 0 276.380 2.056 20 10 CECDRO Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2)c(C)n1-c1cccc(C)c1 ZINC000127219799 524131235 /nfs/dbraw/zinc/13/12/35/524131235.db2.gz UTXYHCDWZZENCO-OAHLLOKOSA-N 1 0 297.402 2.494 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2cccnc2)c1 ZINC000037717968 524754232 /nfs/dbraw/zinc/75/42/32/524754232.db2.gz DKGIFNYPOHIWCU-UHFFFAOYSA-N 1 0 258.321 2.128 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2nnc(C)s2)c1 ZINC000289659585 524768196 /nfs/dbraw/zinc/76/81/96/524768196.db2.gz GPWPDCNHWUFARS-VIFPVBQESA-N 1 0 293.392 2.454 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000130110407 525339317 /nfs/dbraw/zinc/33/93/17/525339317.db2.gz SWJLBENLYGUUJW-UHFFFAOYSA-N 1 0 277.364 2.286 20 10 CECDRO C[S@@](=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CCC1 ZINC000280710185 525359928 /nfs/dbraw/zinc/35/99/28/525359928.db2.gz UAUDVUWIIGRWAF-GOSISDBHSA-N 1 0 287.812 2.436 20 10 CECDRO COc1cccc(C[NH2+]C[C@H](O)c2ccc(C)o2)c1O ZINC000265971692 526021259 /nfs/dbraw/zinc/02/12/59/526021259.db2.gz KZSXTAUFZFMORX-LBPRGKRZSA-N 1 0 277.320 2.125 20 10 CECDRO Cc1cc(C(=O)NCC[NH3+])c(C)n1-c1cccc(C)c1 ZINC000237730608 526267302 /nfs/dbraw/zinc/26/73/02/526267302.db2.gz BECXMORZOQCJPH-UHFFFAOYSA-N 1 0 271.364 2.091 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000037648365 526373396 /nfs/dbraw/zinc/37/33/96/526373396.db2.gz BEEVKVXFMWCBET-LLVKDONJSA-N 1 0 288.313 2.366 20 10 CECDRO Cc1noc(CCC[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000264996317 526604964 /nfs/dbraw/zinc/60/49/64/526604964.db2.gz YGRCVMNVNVDHQR-UHFFFAOYSA-N 1 0 281.743 2.459 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2CC1CCOCC1 ZINC000062801601 527258439 /nfs/dbraw/zinc/25/84/39/527258439.db2.gz ASPZXOQMXXGILC-UHFFFAOYSA-N 1 0 260.381 2.325 20 10 CECDRO OC[C@H]1C=C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000129685159 527611946 /nfs/dbraw/zinc/61/19/46/527611946.db2.gz JTSFTGZBROPMEF-VHSXEESVSA-N 1 0 253.729 2.072 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000296345193 529207224 /nfs/dbraw/zinc/20/72/24/529207224.db2.gz IAJXUDMGUWMONS-CABCVRRESA-N 1 0 275.396 2.072 20 10 CECDRO CCC[N@H+](CCn1ccccc1=O)Cc1ccccc1O ZINC000727831087 574456985 /nfs/dbraw/zinc/45/69/85/574456985.db2.gz HKEFFSIFTVSEPZ-UHFFFAOYSA-N 1 0 286.375 2.466 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000751943504 574474669 /nfs/dbraw/zinc/47/46/69/574474669.db2.gz YNCLVZYSDVOWHP-GFCCVEGCSA-N 1 0 258.321 2.161 20 10 CECDRO C[N@H+](CC(=O)NC(C)(C)C)Cc1cc2c(cc1O)CCC2 ZINC000732474837 574622100 /nfs/dbraw/zinc/62/21/00/574622100.db2.gz LOLBLUVPMQTNEB-UHFFFAOYSA-N 1 0 290.407 2.227 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)[C@H]2CCN(C)C2=O)cc1C(C)C ZINC000738264537 574856400 /nfs/dbraw/zinc/85/64/00/574856400.db2.gz DNVWJPXVTCYYTA-HNNXBMFYSA-N 1 0 290.407 2.487 20 10 CECDRO C[C@@H](CO)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742383098 575019235 /nfs/dbraw/zinc/01/92/35/575019235.db2.gz SRALPTCUAXQEMP-LBPRGKRZSA-N 1 0 293.367 2.056 20 10 CECDRO C[C@H]1CCN(CC[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000744449704 575121292 /nfs/dbraw/zinc/12/12/92/575121292.db2.gz CBAYBZWDXCCAKZ-NSHDSACASA-N 1 0 268.788 2.477 20 10 CECDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CC[N@@H+]1C ZINC000745855150 575144937 /nfs/dbraw/zinc/14/49/37/575144937.db2.gz RYUCAHZLEAAWJD-TZMCWYRMSA-N 1 0 291.395 2.016 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000179435147 625435689 /nfs/dbraw/zinc/43/56/89/625435689.db2.gz BTJURUBQAOWCRA-LBPRGKRZSA-N 1 0 261.365 2.492 20 10 CECDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890760265 622932630 /nfs/dbraw/zinc/93/26/30/622932630.db2.gz MOBAGGDORMHEAK-GFCCVEGCSA-N 1 0 282.771 2.146 20 10 CECDRO CN1CCCc2cc(C[NH2+]C3CCOCC3)ccc21 ZINC000050286535 623385486 /nfs/dbraw/zinc/38/54/86/623385486.db2.gz RLGVUKVQEJOONH-UHFFFAOYSA-N 1 0 260.381 2.338 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000742375637 623422773 /nfs/dbraw/zinc/42/27/73/623422773.db2.gz SYJDIBKYHXZXSP-GXTWGEPZSA-N 1 0 278.396 2.363 20 10 CECDRO C[C@H](NC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1O ZINC000892090620 624310426 /nfs/dbraw/zinc/31/04/26/624310426.db2.gz WZAODFGDGQJJJL-SRVKXCTJSA-N 1 0 277.368 2.022 20 10 CECDRO COc1cccc(C[NH2+]CCc2cccc(C)n2)c1O ZINC000280305648 625253885 /nfs/dbraw/zinc/25/38/85/625253885.db2.gz BOHXLSWOIIAZBQ-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000902212187 634517268 /nfs/dbraw/zinc/51/72/68/634517268.db2.gz XYKFDHDSANWPSY-UHFFFAOYSA-N 1 0 297.406 2.149 20 10 CECDRO CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000168766030 627686776 /nfs/dbraw/zinc/68/67/76/627686776.db2.gz QPJAIIJCWRGOGF-DIFFPNOSSA-N 1 0 255.383 2.120 20 10 CECDRO CCC1([NH3+])CCN(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000892935326 627861396 /nfs/dbraw/zinc/86/13/96/627861396.db2.gz QSYPUDGJSABIPK-UHFFFAOYSA-N 1 0 289.379 2.031 20 10 CECDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893074140 627981282 /nfs/dbraw/zinc/98/12/82/627981282.db2.gz KXWPMOAMNMHWBO-AAEUAGOBSA-N 1 0 297.395 2.296 20 10 CECDRO CC(=O)N1CC[N@H+](Cc2cc(C)c(C)cc2O)C(C)(C)C1 ZINC000182086864 628143690 /nfs/dbraw/zinc/14/36/90/628143690.db2.gz MGINSZUTBOBWOM-UHFFFAOYSA-N 1 0 290.407 2.452 20 10 CECDRO CC[C@@H]([NH2+]CCCON)c1ccc(N(C)C)cc1 ZINC000902419910 634644636 /nfs/dbraw/zinc/64/46/36/634644636.db2.gz VMSMKYJXZOVLCC-CQSZACIVSA-N 1 0 251.374 2.074 20 10 CECDRO CCOCCOCC[N@H+](C)Cc1cccc(C)c1O ZINC000191568189 628361460 /nfs/dbraw/zinc/36/14/60/628361460.db2.gz YBDKXFISSNDJDH-UHFFFAOYSA-N 1 0 267.369 2.186 20 10 CECDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000123835251 628460488 /nfs/dbraw/zinc/46/04/88/628460488.db2.gz BEPJBAGVEVBIFC-GFCCVEGCSA-N 1 0 265.353 2.250 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000092660573 628503493 /nfs/dbraw/zinc/50/34/93/628503493.db2.gz SUSYXWNFWCPTLH-CYBMUJFWSA-N 1 0 276.380 2.178 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c(O)c1OC ZINC000893417118 628592684 /nfs/dbraw/zinc/59/26/84/628592684.db2.gz BXUKMIXLOXYDRK-NWDGAFQWSA-N 1 0 295.379 2.002 20 10 CECDRO [NH3+][C@@H]1CN(Cc2cc(F)ccc2O)C[C@H]1c1ccccc1 ZINC000313905923 628664184 /nfs/dbraw/zinc/66/41/84/628664184.db2.gz QEYLAIWCTNGNPN-JKSUJKDBSA-N 1 0 286.350 2.458 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1cnccn1 ZINC000840936229 628753518 /nfs/dbraw/zinc/75/35/18/628753518.db2.gz HCLRIPFXDIBHKX-UHFFFAOYSA-N 1 0 270.380 2.183 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c(Cl)c1 ZINC000840940751 628775265 /nfs/dbraw/zinc/77/52/65/628775265.db2.gz FEZJHDDXNYHYJK-VXGBXAGGSA-N 1 0 299.798 2.089 20 10 CECDRO CCN(C)c1ccc([C@@H](C)N[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925781809 628809274 /nfs/dbraw/zinc/80/92/74/628809274.db2.gz GOABNRPTGOZMRJ-XJKCOSOUSA-N 1 0 261.413 2.401 20 10 CECDRO Nc1nc(C[NH2+][C@@H]2CCc3cccc(O)c32)cs1 ZINC000902502943 634692999 /nfs/dbraw/zinc/69/29/99/634692999.db2.gz VVWLDJLYWVKSPR-SNVBAGLBSA-N 1 0 261.350 2.208 20 10 CECDRO COc1ccc(C[N@H+](CC(C)(C)O)C2CC2)c(O)c1OC ZINC000893707288 628958628 /nfs/dbraw/zinc/95/86/28/628958628.db2.gz RDXRYUFISBGMGL-UHFFFAOYSA-N 1 0 295.379 2.145 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCC(C)(C)O2)c(O)c1OC ZINC000893716844 628979268 /nfs/dbraw/zinc/97/92/68/628979268.db2.gz LBSZHEOTAIISGJ-LBPRGKRZSA-N 1 0 295.379 2.457 20 10 CECDRO C[C@H]([NH2+][C@@H](C)[C@H](C)N1CCOCC1)c1ccccc1O ZINC000248384380 629141630 /nfs/dbraw/zinc/14/16/30/629141630.db2.gz DRWMFKZCMWEPPH-IHRRRGAJSA-N 1 0 278.396 2.152 20 10 CECDRO Cc1ccnc(N)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000894161534 629176084 /nfs/dbraw/zinc/17/60/84/629176084.db2.gz VMDBDFHLCGFNIO-UHFFFAOYSA-N 1 0 270.380 2.328 20 10 CECDRO CCCN(CCC)c1ccc(C[NH2+]C[C@@](C)(O)CO)cc1 ZINC000794748739 629314437 /nfs/dbraw/zinc/31/44/37/629314437.db2.gz QPPUPXKVHUHBTK-QGZVFWFLSA-N 1 0 294.439 2.146 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(C)cc1O ZINC000794808341 629325861 /nfs/dbraw/zinc/32/58/61/629325861.db2.gz ABCLMZIZJQSCCJ-AWEZNQCLSA-N 1 0 299.374 2.435 20 10 CECDRO CCn1ncnc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000794838825 629331962 /nfs/dbraw/zinc/33/19/62/629331962.db2.gz ATTWEGFZVLKZKU-LBPRGKRZSA-N 1 0 274.368 2.471 20 10 CECDRO COc1cc(C)cc(C[NH2+]C2CCC(C)(O)CC2)c1O ZINC000894317901 629349227 /nfs/dbraw/zinc/34/92/27/629349227.db2.gz WWKSHNUAWXECJW-UHFFFAOYSA-N 1 0 279.380 2.492 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c1O ZINC000894342594 629372687 /nfs/dbraw/zinc/37/26/87/629372687.db2.gz NHWYJTNTTWTPDG-XBXGTLAGSA-N 1 0 279.380 2.350 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1O ZINC000894423539 629452696 /nfs/dbraw/zinc/45/26/96/629452696.db2.gz TWGDOJXZDNZBFF-QWHCGFSZSA-N 1 0 279.380 2.302 20 10 CECDRO Cc1ccnc(N)c1CN(C)c1ccc2c(c1)OCO2 ZINC000894429298 629455729 /nfs/dbraw/zinc/45/57/29/629455729.db2.gz DFFNWECWCCXUIL-UHFFFAOYSA-N 1 0 271.320 2.337 20 10 CECDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894453542 629467559 /nfs/dbraw/zinc/46/75/59/629467559.db2.gz HLXUNLWBOCWVCU-NEPJUHHUSA-N 1 0 295.379 2.387 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCO[C@H]2CCCCO2)c1 ZINC000894799300 629646772 /nfs/dbraw/zinc/64/67/72/629646772.db2.gz LJCVJDMHUIRNQU-HNNXBMFYSA-N 1 0 281.352 2.034 20 10 CECDRO COc1cc(C[N@@H+](C)[C@H]2CC[C@H]2OC)c(O)cc1C ZINC000902636398 634755767 /nfs/dbraw/zinc/75/57/67/634755767.db2.gz DWYFAZODKSQTSV-GXTWGEPZSA-N 1 0 265.353 2.318 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2COCO2)cc1F ZINC000894872516 629708647 /nfs/dbraw/zinc/70/86/47/629708647.db2.gz JYVNGUJJTZRTDO-ZDUSSCGKSA-N 1 0 282.359 2.134 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1O ZINC000894917235 629752607 /nfs/dbraw/zinc/75/26/07/629752607.db2.gz LIHLIEUGQOVSNN-GXTWGEPZSA-N 1 0 279.380 2.350 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)c1O ZINC000895033840 629807355 /nfs/dbraw/zinc/80/73/55/629807355.db2.gz MBUSUCFKZLFXCG-AAEUAGOBSA-N 1 0 265.353 2.054 20 10 CECDRO C[C@@](O)(C[NH2+]Cc1c(O)cccc1Cl)C1CC1 ZINC000310433811 629862485 /nfs/dbraw/zinc/86/24/85/629862485.db2.gz QVPZOVFSYCOAKM-CYBMUJFWSA-N 1 0 255.745 2.296 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@@H]2CO)cc1OC ZINC000895150305 629964938 /nfs/dbraw/zinc/96/49/38/629964938.db2.gz JSHHSJCLCQMMNL-CYBMUJFWSA-N 1 0 295.379 2.146 20 10 CECDRO CC1=NO[C@H](C[NH2+]Cc2c(O)cccc2Br)C1 ZINC000895299413 630088563 /nfs/dbraw/zinc/08/85/63/630088563.db2.gz CTALVIAJOXIQKF-VIFPVBQESA-N 1 0 299.168 2.409 20 10 CECDRO CC1=NO[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000895304355 630096066 /nfs/dbraw/zinc/09/60/66/630096066.db2.gz IGUIUFYSZKUPKD-VIFPVBQESA-N 1 0 272.707 2.439 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@@H]2CC(C)=NO2)ccc1OC ZINC000895309518 630098221 /nfs/dbraw/zinc/09/82/21/630098221.db2.gz BUTHOTJFQJOZLH-HNNXBMFYSA-N 1 0 292.379 2.486 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1O ZINC000895405571 630170274 /nfs/dbraw/zinc/17/02/74/630170274.db2.gz LHODQCWQCXRTFX-WMLDXEAASA-N 1 0 291.391 2.304 20 10 CECDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(F)cc(F)c3[O-])CC[C@@H]21 ZINC000895459939 630201918 /nfs/dbraw/zinc/20/19/18/630201918.db2.gz CJIRFZQWCJGXKR-HZMBPMFUSA-N 1 0 282.334 2.196 20 10 CECDRO O[C@]12C[C@H]1C[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000895649704 630283914 /nfs/dbraw/zinc/28/39/14/630283914.db2.gz SRSFQYONMGLLTL-RDJZCZTQSA-N 1 0 272.392 2.244 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC3(CCC3)CO2)c1 ZINC000895791894 630346732 /nfs/dbraw/zinc/34/67/32/630346732.db2.gz VUBAOEFPBBVAGS-CQSZACIVSA-N 1 0 277.364 2.450 20 10 CECDRO COc1ccc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c(O)c1OC ZINC000895849650 630376866 /nfs/dbraw/zinc/37/68/66/630376866.db2.gz XVORMAMMUKLFER-GFCCVEGCSA-N 1 0 295.379 2.002 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)c1O ZINC000896241293 630509611 /nfs/dbraw/zinc/50/96/11/630509611.db2.gz XLPMUZFQDMZSMQ-LBPRGKRZSA-N 1 0 289.335 2.082 20 10 CECDRO FCC1([NH2+]Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000824690863 635479054 /nfs/dbraw/zinc/47/90/54/635479054.db2.gz ONZVDYBRMQDMMV-UHFFFAOYSA-N 1 0 265.328 2.230 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1C ZINC000824726269 635485509 /nfs/dbraw/zinc/48/55/09/635485509.db2.gz JYUQKDHPTJKLLL-CQSZACIVSA-N 1 0 271.307 2.211 20 10 CECDRO CC(=O)N1CCN(Cc2cc(Cl)c(C)cc2O)[C@@H](C)C1 ZINC000824831669 635506337 /nfs/dbraw/zinc/50/63/37/635506337.db2.gz WJHGNJQSRQKGQX-NSHDSACASA-N 1 0 296.798 2.407 20 10 CECDRO OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1ccccc1O ZINC000897173554 630970921 /nfs/dbraw/zinc/97/09/21/630970921.db2.gz WYAIVXIGDJKDSX-HNNXBMFYSA-N 1 0 291.391 2.146 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC(=O)NC2(C)C)c1 ZINC000802313746 631424833 /nfs/dbraw/zinc/42/48/33/631424833.db2.gz OAAJTYHRDYSKEA-HZMBPMFUSA-N 1 0 292.379 2.109 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843122319 631734471 /nfs/dbraw/zinc/73/44/71/631734471.db2.gz BCMBNHKKAOBEDB-INIZCTEOSA-N 1 0 260.381 2.276 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(Cl)cc1O ZINC000841755106 631777433 /nfs/dbraw/zinc/77/74/33/631777433.db2.gz NLZMGRSKSJWNDZ-SKDRFNHKSA-N 1 0 282.771 2.317 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)c1O ZINC000897558427 631779378 /nfs/dbraw/zinc/77/93/78/631779378.db2.gz HYYVTOKJFDAUQY-HNNXBMFYSA-N 1 0 287.363 2.008 20 10 CECDRO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807141090 631810724 /nfs/dbraw/zinc/81/07/24/631810724.db2.gz QDZLLFHODXZFKY-STQMWFEESA-N 1 0 292.427 2.063 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1F ZINC000897683359 631868764 /nfs/dbraw/zinc/86/87/64/631868764.db2.gz CCEMDFFMKVOQDR-BLLLJJGKSA-N 1 0 280.387 2.485 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CO)C(C)C)c1 ZINC000808422253 631960707 /nfs/dbraw/zinc/96/07/07/631960707.db2.gz ZRJKJPOOUYYYIO-ZDUSSCGKSA-N 1 0 267.369 2.145 20 10 CECDRO COC(=O)N1CC([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808706744 632002764 /nfs/dbraw/zinc/00/27/64/632002764.db2.gz SPZGDKQMFLFXPN-SECBINFHSA-N 1 0 298.770 2.455 20 10 CECDRO Cc1ccc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)nc1 ZINC000841041186 632226013 /nfs/dbraw/zinc/22/60/13/632226013.db2.gz BNZSFXVLIPSVQO-KRWDZBQOSA-N 1 0 284.407 2.246 20 10 CECDRO CC[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(C)cc1O ZINC000926982794 632403529 /nfs/dbraw/zinc/40/35/29/632403529.db2.gz RQWRKYMGMUNMNF-TZMCWYRMSA-N 1 0 276.380 2.268 20 10 CECDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000811600677 632406476 /nfs/dbraw/zinc/40/64/76/632406476.db2.gz LBAARMLLGVZNHO-SNVBAGLBSA-N 1 0 270.398 2.304 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c(O)c1 ZINC000927128223 632482166 /nfs/dbraw/zinc/48/21/66/632482166.db2.gz GSGJOHZPEBNGBA-IUODEOHRSA-N 1 0 289.379 2.127 20 10 CECDRO C[C@H]([NH2+]CCN1CCCOCC1)c1ccc(N(C)C)cc1 ZINC000812835080 632592051 /nfs/dbraw/zinc/59/20/51/632592051.db2.gz LFGMWDFZGVNZOX-HNNXBMFYSA-N 1 0 291.439 2.126 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)cc1C ZINC000814172922 632797521 /nfs/dbraw/zinc/79/75/21/632797521.db2.gz DDXHQBJMVBGIRQ-DZGCQCFKSA-N 1 0 260.381 2.145 20 10 CECDRO Cc1cc(Cl)cc(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1O ZINC000814173406 632799527 /nfs/dbraw/zinc/79/95/27/632799527.db2.gz LDDRBYFARIUUOT-RISCZKNCSA-N 1 0 280.799 2.490 20 10 CECDRO CC[NH+]1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815012798 632949868 /nfs/dbraw/zinc/94/98/68/632949868.db2.gz NWLZDHCAVPTNJQ-UHFFFAOYSA-N 1 0 261.413 2.199 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)ccc1N(C)C ZINC000815094652 632958319 /nfs/dbraw/zinc/95/83/19/632958319.db2.gz FOOAULLFQUGDJD-OAHLLOKOSA-N 1 0 285.395 2.100 20 10 CECDRO Cc1cc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)ccc1N(C)C ZINC000815105980 632960724 /nfs/dbraw/zinc/96/07/24/632960724.db2.gz NXYHKSQZKVVFST-YOEHRIQHSA-N 1 0 292.423 2.033 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC000815120326 632963250 /nfs/dbraw/zinc/96/32/50/632963250.db2.gz GNJAIENOWRNQEE-DOTOQJQBSA-N 1 0 273.424 2.279 20 10 CECDRO CCc1nocc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000815122894 632964151 /nfs/dbraw/zinc/96/41/51/632964151.db2.gz RBPACGDBYOLJDF-UHFFFAOYSA-N 1 0 258.321 2.462 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000815579742 633033507 /nfs/dbraw/zinc/03/35/07/633033507.db2.gz UBWLWZMJJGOBNJ-SWLSCSKDSA-N 1 0 267.369 2.057 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1cc[nH]c(=O)c1 ZINC000816639048 633453608 /nfs/dbraw/zinc/45/36/08/633453608.db2.gz GBBJRDMSYNQWNM-SECBINFHSA-N 1 0 262.284 2.483 20 10 CECDRO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000816667892 633460829 /nfs/dbraw/zinc/46/08/29/633460829.db2.gz YYDLDQFBEGUTGE-LBPRGKRZSA-N 1 0 255.745 2.392 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCCc3n[nH]cc32)cc1 ZINC000817941813 633789896 /nfs/dbraw/zinc/78/98/96/633789896.db2.gz LBBIIRQQCUUQCN-HOTGVXAUSA-N 1 0 299.422 2.143 20 10 CECDRO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817942634 633790514 /nfs/dbraw/zinc/79/05/14/633790514.db2.gz QEOAHJROVKVJBC-BBRMVZONSA-N 1 0 284.407 2.498 20 10 CECDRO Cc1cc(Br)cc([C@@H](C)N[C@H]2CC[NH2+]C2)c1O ZINC000817944987 633792759 /nfs/dbraw/zinc/79/27/59/633792759.db2.gz QUYBGIWGOTXVMP-KOLCDFICSA-N 1 0 299.212 2.476 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CN1C1CC1 ZINC000817955936 633800042 /nfs/dbraw/zinc/80/00/42/633800042.db2.gz LTIUMFAXFLNWCA-WFASDCNBSA-N 1 0 259.397 2.026 20 10 CECDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000817968702 633811599 /nfs/dbraw/zinc/81/15/99/633811599.db2.gz WFRCLRFWKARZHN-HEHGZKQESA-N 1 0 261.413 2.401 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000817970445 633813084 /nfs/dbraw/zinc/81/30/84/633813084.db2.gz VQKVHVNDHREJHG-UHTWSYAYSA-N 1 0 292.379 2.099 20 10 CECDRO COC[C@]1(CN[C@@H](C)c2cc(Cl)ccc2O)CCC[NH2+]1 ZINC000817975890 633818698 /nfs/dbraw/zinc/81/86/98/633818698.db2.gz ZFQJCUFJJWNQEJ-XHDPSFHLSA-N 1 0 298.814 2.465 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817976664 633820030 /nfs/dbraw/zinc/82/00/30/633820030.db2.gz QOSZZRAIAVOCKI-IINYFYTJSA-N 1 0 291.351 2.093 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(C[NH3+])CC1 ZINC000817993467 633829624 /nfs/dbraw/zinc/82/96/24/633829624.db2.gz IIMJYJIEKDCCTO-UHFFFAOYSA-N 1 0 289.423 2.230 20 10 CECDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC2)c2c1c(F)ccc2O ZINC000818358539 633915892 /nfs/dbraw/zinc/91/58/92/633915892.db2.gz JKRBQEIVVNALIN-IQJOONFLSA-N 1 0 251.301 2.458 20 10 CECDRO O[C@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)C(F)(F)F ZINC000819096545 634067552 /nfs/dbraw/zinc/06/75/52/634067552.db2.gz QEOONSGSQKGBTP-CYBMUJFWSA-N 1 0 286.297 2.076 20 10 CECDRO COc1cccc(C[NH2+]Cc2cncn2C(C)C)c1O ZINC000822481109 634927521 /nfs/dbraw/zinc/92/75/21/634927521.db2.gz JBYSZRJONDAOMH-UHFFFAOYSA-N 1 0 275.352 2.468 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822504295 634932740 /nfs/dbraw/zinc/93/27/40/634932740.db2.gz RBMQPJHVXJTHPB-KRWDZBQOSA-N 1 0 299.422 2.490 20 10 CECDRO CC[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903342013 635069323 /nfs/dbraw/zinc/06/93/23/635069323.db2.gz AREQRFXZVABMNJ-LSDHHAIUSA-N 1 0 290.407 2.080 20 10 CECDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000903391977 635088627 /nfs/dbraw/zinc/08/86/27/635088627.db2.gz KDVIAXXSSDKXAP-XJKSGUPXSA-N 1 0 289.423 2.414 20 10 CECDRO CCN(C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000903431115 635114733 /nfs/dbraw/zinc/11/47/33/635114733.db2.gz NPWXUEORDICBMH-OLZOCXBDSA-N 1 0 278.396 2.386 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2COC[C@H]2C2CC2)c1O ZINC000903440579 635119920 /nfs/dbraw/zinc/11/99/20/635119920.db2.gz QTWWYSSJJCJCCC-LEWSCRJBSA-N 1 0 277.364 2.476 20 10 CECDRO COc1ccc(N(C)C[C@@H]2CC[C@H]([NH3+])C2)c(OC)c1 ZINC000903454907 635138295 /nfs/dbraw/zinc/13/82/95/635138295.db2.gz NLWAMIPTYOOQIX-NEPJUHHUSA-N 1 0 264.369 2.267 20 10 CECDRO CCOc1ccc(N(C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903732879 635242994 /nfs/dbraw/zinc/24/29/94/635242994.db2.gz HGWBFIMSLJQCAZ-DLBZAZTESA-N 1 0 290.407 2.290 20 10 CECDRO CCOc1ccc(N(C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903732884 635243041 /nfs/dbraw/zinc/24/30/41/635243041.db2.gz 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ZINC000826822255 635854863 /nfs/dbraw/zinc/85/48/63/635854863.db2.gz OKXMCBWLTSOWJQ-BXUZGUMPSA-N 1 0 299.798 2.495 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000826878329 635869681 /nfs/dbraw/zinc/86/96/81/635869681.db2.gz WYTHGTHTNOLESP-MRXNPFEDSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C1(CO)CC1 ZINC000826991243 636179173 /nfs/dbraw/zinc/17/91/73/636179173.db2.gz XGCXEVDCOVXETG-ZDUSSCGKSA-N 1 0 262.397 2.312 20 10 CECDRO [NH3+]C1(CC(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000827004431 636185899 /nfs/dbraw/zinc/18/58/99/636185899.db2.gz HYCAIPXVDKXSEU-UHFFFAOYSA-N 1 0 287.407 2.175 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@@H+](CCOCCO)C1CCC1 ZINC000827204375 636255652 /nfs/dbraw/zinc/25/56/52/636255652.db2.gz SRVGASLYEXMSPU-UHFFFAOYSA-N 1 0 299.798 2.409 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)cc1F ZINC000827279934 636278698 /nfs/dbraw/zinc/27/86/98/636278698.db2.gz CAHGDDRLCWWXEV-BBRMVZONSA-N 1 0 278.371 2.360 20 10 CECDRO CN(C)c1ccc(C[N@H+](C[C@@H]2COCCO2)C2CC2)cc1 ZINC000827443201 636322368 /nfs/dbraw/zinc/32/23/68/636322368.db2.gz ZGYLIIJRJAXRDR-QGZVFWFLSA-N 1 0 290.407 2.132 20 10 CECDRO Cc1cccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1O ZINC000827593713 636362197 /nfs/dbraw/zinc/36/21/97/636362197.db2.gz ATWGNSOMQYCISH-KRWDZBQOSA-N 1 0 293.407 2.358 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)C2(CO)CC2)cc1Cl ZINC000827897889 636453850 /nfs/dbraw/zinc/45/38/50/636453850.db2.gz AUEAAFCPEZJBQB-UHFFFAOYSA-N 1 0 255.745 2.311 20 10 CECDRO NC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000841087866 637573448 /nfs/dbraw/zinc/57/34/48/637573448.db2.gz RBUVSECGWLFREE-OAHLLOKOSA-N 1 0 260.381 2.229 20 10 CECDRO Cc1cccc(O)c1CN1CC[NH+](CC2CC2)CC1 ZINC000876611041 650358754 /nfs/dbraw/zinc/35/87/54/650358754.db2.gz PIMGGQSGRXFHOW-UHFFFAOYSA-N 1 0 260.381 2.228 20 10 CECDRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000834842987 637967260 /nfs/dbraw/zinc/96/72/60/637967260.db2.gz FLWSKDJUTBOGER-CJNGLKHVSA-N 1 0 281.396 2.447 20 10 CECDRO C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(F)ccc1O ZINC000834892241 637980126 /nfs/dbraw/zinc/98/01/26/637980126.db2.gz QUQDFQSLFZAMOR-BNOWGMLFSA-N 1 0 294.370 2.045 20 10 CECDRO CCN1C[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1=O ZINC000834892225 637980177 /nfs/dbraw/zinc/98/01/77/637980177.db2.gz UQVITIHEEFPJFF-CHWSQXEVSA-N 1 0 276.380 2.280 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cnc(C)cn2)c1 ZINC000834908370 637984955 /nfs/dbraw/zinc/98/49/55/637984955.db2.gz JEYTXBPDYROBQM-LBPRGKRZSA-N 1 0 287.363 2.393 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CCCC[C@@H]2C(N)=O)cc1 ZINC000835025338 638028791 /nfs/dbraw/zinc/02/87/91/638028791.db2.gz IFEPDFICNVNFII-SQRWCISFSA-N 1 0 287.407 2.106 20 10 CECDRO CNC(=O)[C@@H](C)C[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835027948 638030319 /nfs/dbraw/zinc/03/03/19/638030319.db2.gz FJVGKZOXCUJNRZ-UZYOAWRESA-N 1 0 289.423 2.080 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000835026743 638030627 /nfs/dbraw/zinc/03/06/27/638030627.db2.gz GGMQKPSERGFSKN-WMHVBEDNSA-N 1 0 260.381 2.223 20 10 CECDRO COC[C@](C)(CCO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041427 638035448 /nfs/dbraw/zinc/03/54/48/638035448.db2.gz CBWLXXFYFCUXBU-OSJSJHBBSA-N 1 0 292.423 2.143 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@H+](C)CCCCO)cc1 ZINC000835049495 638038352 /nfs/dbraw/zinc/03/83/52/638038352.db2.gz GKHOCWVJUGSHGA-VOTSOKGWSA-N 1 0 262.397 2.470 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@]2(C)CCC(=O)N2)cc1 ZINC000835059818 638043112 /nfs/dbraw/zinc/04/31/12/638043112.db2.gz DQRZEWJGPKASHI-BDUNBXCCSA-N 1 0 287.407 2.024 20 10 CECDRO CCOc1ccc(C[NH2+]CCc2cnc(C)cn2)c(O)c1 ZINC000835061504 638044222 /nfs/dbraw/zinc/04/42/22/638044222.db2.gz MEZBLELHUBFRGF-UHFFFAOYSA-N 1 0 287.363 2.222 20 10 CECDRO Nc1ccc(NC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@@H]32)cc1 ZINC000911660296 638340315 /nfs/dbraw/zinc/34/03/15/638340315.db2.gz KKMZWJNGRKYAHB-BYCMXARLSA-N 1 0 273.380 2.376 20 10 CECDRO Nc1ccc(NC(=O)[C@]23CC[NH2+][C@H]2CCCC3)cc1 ZINC000911661286 638341536 /nfs/dbraw/zinc/34/15/36/638341536.db2.gz UBRDKJJIHAGXKH-DZGCQCFKSA-N 1 0 259.353 2.130 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c(O)c1 ZINC000876817880 650444867 /nfs/dbraw/zinc/44/48/67/650444867.db2.gz OHKSANDOZZQWKN-CABCVRRESA-N 1 0 288.391 2.191 20 10 CECDRO Cc1ccc(C[NH2+]C[C@H]2CN(CC(C)C)CCO2)c(O)c1 ZINC000876880613 650470509 /nfs/dbraw/zinc/47/05/09/650470509.db2.gz LGFVORBXXUBMNZ-INIZCTEOSA-N 1 0 292.423 2.147 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(CCOC3)C1)CCC2 ZINC000151286054 639257802 /nfs/dbraw/zinc/25/78/02/639257802.db2.gz NZHOEXRERRIMKG-QGZVFWFLSA-N 1 0 273.376 2.493 20 10 CECDRO Cc1cccc(O)c1C[NH2+]Cc1cccnc1N(C)C ZINC000876928501 650489365 /nfs/dbraw/zinc/48/93/65/650489365.db2.gz HEGLGOLDRZXHTH-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO CCC(=O)N1CCC[N@H+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164235017 639356062 /nfs/dbraw/zinc/35/60/62/639356062.db2.gz GYUNYXFSTMVXQI-UHFFFAOYSA-N 1 0 290.407 2.453 20 10 CECDRO COC[C@H](C)C[NH2+]CCCSc1nccs1 ZINC000157318295 639480940 /nfs/dbraw/zinc/48/09/40/639480940.db2.gz FGQGRQCACRSXPE-SNVBAGLBSA-N 1 0 260.428 2.497 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(C)cc1O ZINC000840825805 639553629 /nfs/dbraw/zinc/55/36/29/639553629.db2.gz MOTWYCXWAWUPDL-GXTWGEPZSA-N 1 0 276.380 2.268 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)c(O)c1 ZINC000840824926 639553811 /nfs/dbraw/zinc/55/38/11/639553811.db2.gz AWJXHLAPYPEYKF-STQMWFEESA-N 1 0 276.380 2.186 20 10 CECDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000840827025 639554675 /nfs/dbraw/zinc/55/46/75/639554675.db2.gz ZHLNGEOQCZQKJO-KYVBTAMFSA-N 1 0 281.327 2.083 20 10 CECDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000226613503 639556143 /nfs/dbraw/zinc/55/61/43/639556143.db2.gz GFCYOCWAXQRSML-QWHCGFSZSA-N 1 0 253.317 2.434 20 10 CECDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000840889759 639574995 /nfs/dbraw/zinc/57/49/95/639574995.db2.gz VPOACBPSOJHZHK-ZDUSSCGKSA-N 1 0 299.436 2.484 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)CCO)c(Cl)c1 ZINC000840901390 639578800 /nfs/dbraw/zinc/57/88/00/639578800.db2.gz JAGUMRRLMVBWBS-VIFPVBQESA-N 1 0 257.761 2.462 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC(C)(C)CO)c(Cl)c1 ZINC000840908161 639580926 /nfs/dbraw/zinc/58/09/26/639580926.db2.gz VJOTYAHYCWLRHZ-UHFFFAOYSA-N 1 0 257.761 2.462 20 10 CECDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(N)cc3)CC[C@H]21 ZINC000227341279 639586285 /nfs/dbraw/zinc/58/62/85/639586285.db2.gz SHQWCRYRQKEMHE-SWLSCSKDSA-N 1 0 288.395 2.217 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CN1CCCC1=O ZINC000840929961 639589083 /nfs/dbraw/zinc/58/90/83/639589083.db2.gz RNZNHSZUAVQBCO-CQSZACIVSA-N 1 0 289.423 2.162 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000840935062 639591154 /nfs/dbraw/zinc/59/11/54/639591154.db2.gz CZAJNFVUYURDHR-OAHLLOKOSA-N 1 0 284.407 2.431 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CC[S@@](C)=O ZINC000840939049 639592919 /nfs/dbraw/zinc/59/29/19/639592919.db2.gz RPWBJCWPEKASRZ-ORAYPTAESA-N 1 0 282.453 2.308 20 10 CECDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840939490 639594079 /nfs/dbraw/zinc/59/40/79/639594079.db2.gz NZNFYMAWSUIIOF-MRXNPFEDSA-N 1 0 262.397 2.408 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCC[C@@H]1CCO1 ZINC000876963928 650509106 /nfs/dbraw/zinc/50/91/06/650509106.db2.gz LHLNOBFZWUGPBX-QGZVFWFLSA-N 1 0 290.407 2.182 20 10 CECDRO COCCN(CC[NH+](C)C)Cc1ccc(N(C)C)cc1C ZINC000840949108 639598109 /nfs/dbraw/zinc/59/81/09/639598109.db2.gz QSCXUDDYGPWIOO-UHFFFAOYSA-N 1 0 293.455 2.071 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000840949011 639598207 /nfs/dbraw/zinc/59/82/07/639598207.db2.gz NWOKUHRIBFVDJP-MRXNPFEDSA-N 1 0 262.397 2.264 20 10 CECDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840950797 639599321 /nfs/dbraw/zinc/59/93/21/639599321.db2.gz ODCIXEABQKFUHF-ABAIWWIYSA-N 1 0 299.798 2.495 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1 ZINC000840972946 639605903 /nfs/dbraw/zinc/60/59/03/639605903.db2.gz BRJWNVROTXXXIO-KGLIPLIRSA-N 1 0 284.350 2.391 20 10 CECDRO CC(C)n1nccc1C[NH2+]CCc1ccc(N)cc1 ZINC000841037556 639629059 /nfs/dbraw/zinc/62/90/59/639629059.db2.gz AOLFULBDELZPNM-UHFFFAOYSA-N 1 0 258.369 2.379 20 10 CECDRO Cc1nc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC000841042431 639630243 /nfs/dbraw/zinc/63/02/43/639630243.db2.gz JOKYHRMRGWPTJA-HNNXBMFYSA-N 1 0 290.436 2.307 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCCNCc2cccnc2)c1 ZINC000841043354 639630261 /nfs/dbraw/zinc/63/02/61/639630261.db2.gz VEDUKQDEIMOQOJ-UHFFFAOYSA-N 1 0 285.391 2.365 20 10 CECDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1O ZINC000841049736 639632489 /nfs/dbraw/zinc/63/24/89/639632489.db2.gz NISHUAAWRXSJAQ-GFCCVEGCSA-N 1 0 299.212 2.290 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CC[NH2+]1 ZINC000841062129 639638036 /nfs/dbraw/zinc/63/80/36/639638036.db2.gz GIHQKSQVCCJPBI-RKDXNWHRSA-N 1 0 272.751 2.415 20 10 CECDRO C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841063239 639638064 /nfs/dbraw/zinc/63/80/64/639638064.db2.gz GUKKFPVJXUEWPP-KCJUWKMLSA-N 1 0 272.751 2.272 20 10 CECDRO CCN(CC)c1ccc(CN[C@@H](C)C[NH3+])cc1F ZINC000841063517 639639741 /nfs/dbraw/zinc/63/97/41/639639741.db2.gz KZVFTFQMVQWQRF-NSHDSACASA-N 1 0 253.365 2.109 20 10 CECDRO CC1([NH2+]Cc2cccc(Br)c2[O-])CC[NH2+]CC1 ZINC000841065333 639640563 /nfs/dbraw/zinc/64/05/63/639640563.db2.gz OCCDELVVGJBDMU-UHFFFAOYSA-N 1 0 299.212 2.386 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000841068638 639642107 /nfs/dbraw/zinc/64/21/07/639642107.db2.gz FREPNCBLFZSBHM-MRXNPFEDSA-N 1 0 298.386 2.377 20 10 CECDRO CN(C)c1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C(F)(F)F)c1 ZINC000841079995 639648248 /nfs/dbraw/zinc/64/82/48/639648248.db2.gz MOWVUMIQVKWJTF-IMRBUKKESA-N 1 0 299.340 2.079 20 10 CECDRO [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000841084947 639650812 /nfs/dbraw/zinc/65/08/12/639650812.db2.gz QTDLUFHCWMKKCP-GZMMTYOYSA-N 1 0 299.758 2.171 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCN(C)C2)c1O ZINC000228671975 639651978 /nfs/dbraw/zinc/65/19/78/639651978.db2.gz WPDIWFNVPHYGKM-LBPRGKRZSA-N 1 0 284.787 2.238 20 10 CECDRO Cc1cc(O)c(CN[C@@H](CC[NH3+])C(F)(F)F)cc1C ZINC000841090755 639653902 /nfs/dbraw/zinc/65/39/02/639653902.db2.gz MRCSQRXLXHOLPZ-LBPRGKRZSA-N 1 0 276.302 2.378 20 10 CECDRO CCOCc1cc(C[NH2+]CC(C)(C)O)ccc1OC ZINC000171785882 639730714 /nfs/dbraw/zinc/73/07/14/639730714.db2.gz FACKVWALUROEFO-UHFFFAOYSA-N 1 0 267.369 2.092 20 10 CECDRO Nc1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000841301355 639732531 /nfs/dbraw/zinc/73/25/31/639732531.db2.gz MCGZGNRYWVKRNI-UHFFFAOYSA-N 1 0 288.395 2.265 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccn(C)n2)c1 ZINC000230897835 639805117 /nfs/dbraw/zinc/80/51/17/639805117.db2.gz ODHAWFSWYMPXAJ-LBPRGKRZSA-N 1 0 259.353 2.327 20 10 CECDRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C(=O)N(C)C ZINC000841752951 639858415 /nfs/dbraw/zinc/85/84/15/639858415.db2.gz WJSQPVHHQYUYLR-RKDXNWHRSA-N 1 0 270.760 2.173 20 10 CECDRO CO[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)CC(C)C ZINC000841888306 639900835 /nfs/dbraw/zinc/90/08/35/639900835.db2.gz HRUYUDVYLUGDAX-GFCCVEGCSA-N 1 0 281.352 2.272 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)NCCC[NH3+])cc1 ZINC000841932340 639907965 /nfs/dbraw/zinc/90/79/65/639907965.db2.gz NUFQMZWNBUBHFC-UHFFFAOYSA-N 1 0 292.427 2.023 20 10 CECDRO Cc1ccc(C[NH2+]CCC(=O)NC(C)(C)C)c(O)c1 ZINC000877025782 650536578 /nfs/dbraw/zinc/53/65/78/650536578.db2.gz VYHUGRJYWGWXGT-UHFFFAOYSA-N 1 0 264.369 2.095 20 10 CECDRO CC(=O)c1cc(F)cc(CN[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1O ZINC000842476087 640074641 /nfs/dbraw/zinc/07/46/41/640074641.db2.gz GHKPCWVEZFYJPI-AMJWSMQMSA-N 1 0 294.370 2.210 20 10 CECDRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1c(O)cccc1F ZINC000914069454 640212410 /nfs/dbraw/zinc/21/24/10/640212410.db2.gz WTCFXMZDUOGEIN-LLVKDONJSA-N 1 0 297.374 2.061 20 10 CECDRO C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC[NH2+]CC1 ZINC000843044214 640249972 /nfs/dbraw/zinc/24/99/72/640249972.db2.gz AJMXXDCBZVHVNB-UHFFFAOYSA-N 1 0 299.758 2.138 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@H]([NH2+]C)C2)cc1 ZINC000843045768 640250955 /nfs/dbraw/zinc/25/09/55/640250955.db2.gz VXMRHBAAIFZRIS-HNNXBMFYSA-N 1 0 261.413 2.327 20 10 CECDRO Cc1cc(Br)c(O)c(CN(C)[C@@H]2CC[NH2+]C2)c1 ZINC000843049163 640253535 /nfs/dbraw/zinc/25/35/35/640253535.db2.gz HDZBJEYFRNKPTH-LLVKDONJSA-N 1 0 299.212 2.257 20 10 CECDRO C[C@H](CC(=O)N(C)c1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000877079229 650562818 /nfs/dbraw/zinc/56/28/18/650562818.db2.gz VLXODPLIDVOSDL-CHWSQXEVSA-N 1 0 275.396 2.257 20 10 CECDRO C[C@H](CC(=O)N(C)c1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC000877079230 650562835 /nfs/dbraw/zinc/56/28/35/650562835.db2.gz VLXODPLIDVOSDL-OLZOCXBDSA-N 1 0 275.396 2.257 20 10 CECDRO C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000843058523 640261933 /nfs/dbraw/zinc/26/19/33/640261933.db2.gz VBMSODVKMFUOCS-ZJUUUORDSA-N 1 0 254.761 2.215 20 10 CECDRO COc1ccc(N(C)C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000843064764 640266161 /nfs/dbraw/zinc/26/61/61/640266161.db2.gz BUNQYFSWVFAXFK-HNNXBMFYSA-N 1 0 264.369 2.140 20 10 CECDRO Cc1ccc(O)c(CN2CC[NH2+]C[C@H]2c2cccnc2)c1 ZINC000843117801 640287123 /nfs/dbraw/zinc/28/71/23/640287123.db2.gz UBJAEAGYKFOVGC-INIZCTEOSA-N 1 0 283.375 2.242 20 10 CECDRO Oc1ccc(F)cc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000843118084 640287156 /nfs/dbraw/zinc/28/71/56/640287156.db2.gz WJSKDWDQBYEVPM-HNNXBMFYSA-N 1 0 287.338 2.073 20 10 CECDRO Oc1ccc(F)cc1CN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000843120562 640289109 /nfs/dbraw/zinc/28/91/09/640289109.db2.gz PPKTVMIJWXDXQX-OAHLLOKOSA-N 1 0 287.338 2.073 20 10 CECDRO C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Br)ccc1O ZINC000843130024 640296311 /nfs/dbraw/zinc/29/63/11/640296311.db2.gz WQZBNPNPYYFOEL-DTWKUNHWSA-N 1 0 287.201 2.370 20 10 CECDRO CS[C@@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877112904 650579259 /nfs/dbraw/zinc/57/92/59/650579259.db2.gz UWRRPPNONUFQNO-ZDUSSCGKSA-N 1 0 294.464 2.489 20 10 CECDRO C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000843349211 640398594 /nfs/dbraw/zinc/39/85/94/640398594.db2.gz LWWHZPSTGCLNFI-NSHDSACASA-N 1 0 296.798 2.290 20 10 CECDRO CCc1nn(C)c(OC)c1C[NH2+]Cc1c(C)cccc1O ZINC000877135108 650589137 /nfs/dbraw/zinc/58/91/37/650589137.db2.gz PXZRRSRIRFLILY-UHFFFAOYSA-N 1 0 289.379 2.295 20 10 CECDRO O=C1CN(Cc2cc3oc4ccccc4c3cc2O)CCN1 ZINC000915808273 640617815 /nfs/dbraw/zinc/61/78/15/640617815.db2.gz AQECYLCKTHTPQO-UHFFFAOYSA-N 1 0 296.326 2.223 20 10 CECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(N)cc2)C[C@H]1C ZINC000844184971 640625496 /nfs/dbraw/zinc/62/54/96/640625496.db2.gz BAFKKNMDHLRLBX-CJNGLKHVSA-N 1 0 289.423 2.143 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCC3(C2)OCCO3)c(O)c1 ZINC000877171867 650609584 /nfs/dbraw/zinc/60/95/84/650609584.db2.gz GTQTXXDMMSDSLS-UHFFFAOYSA-N 1 0 263.337 2.040 20 10 CECDRO C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(F)cc1[O-] ZINC000844922018 640867148 /nfs/dbraw/zinc/86/71/48/640867148.db2.gz YZUUIUNYXYPQEM-JTQLQIEISA-N 1 0 252.333 2.311 20 10 CECDRO CCOC(=O)/C=C\C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000930215769 641112307 /nfs/dbraw/zinc/11/23/07/641112307.db2.gz ZENHOVRMUYWWGF-ISALQUGTSA-N 1 0 279.336 2.171 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@H](C)CCO ZINC000846111025 641185663 /nfs/dbraw/zinc/18/56/63/641185663.db2.gz MBXRTAYWFQGFGZ-CYBMUJFWSA-N 1 0 250.386 2.264 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)c1O ZINC000846141267 641199237 /nfs/dbraw/zinc/19/92/37/641199237.db2.gz HEQXJJMHCBHBDA-WDEREUQCSA-N 1 0 294.395 2.355 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC2(C)COC2)c1O ZINC000846144252 641200231 /nfs/dbraw/zinc/20/02/31/641200231.db2.gz KBJARTHOCKMJPC-JTQLQIEISA-N 1 0 251.326 2.088 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCN(C)C(C)C)c1O ZINC000846144295 641201102 /nfs/dbraw/zinc/20/11/02/641201102.db2.gz IQHWSHYLFCHGIA-LBPRGKRZSA-N 1 0 266.385 2.392 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)c1O ZINC000846152879 641204563 /nfs/dbraw/zinc/20/45/63/641204563.db2.gz VGNNQNRUNDFKQD-DGCLKSJQSA-N 1 0 292.379 2.061 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c1O ZINC000846165010 641209602 /nfs/dbraw/zinc/20/96/02/641209602.db2.gz KDYDLIHQGJXIOL-SRVKXCTJSA-N 1 0 265.353 2.212 20 10 CECDRO COC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@@H]1CCCO1 ZINC000846167584 641210798 /nfs/dbraw/zinc/21/07/98/641210798.db2.gz LAMLJILOGNGODE-UBHSHLNASA-N 1 0 295.379 2.245 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)CCCO)c1O ZINC000846170570 641211934 /nfs/dbraw/zinc/21/19/34/641211934.db2.gz OTKZQMGRITVHJP-VXGBXAGGSA-N 1 0 267.369 2.460 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)c(O)c1 ZINC000846192318 641219094 /nfs/dbraw/zinc/21/90/94/641219094.db2.gz HABNSNMPKUNSAK-CJNGLKHVSA-N 1 0 279.380 2.201 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1O ZINC000179905088 641393030 /nfs/dbraw/zinc/39/30/30/641393030.db2.gz DRODICFFAYYELT-ZDUSSCGKSA-N 1 0 276.380 2.178 20 10 CECDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1ccccc1O ZINC000183317175 641726832 /nfs/dbraw/zinc/72/68/32/641726832.db2.gz BLLCSCYYPGPGEN-CQSZACIVSA-N 1 0 276.380 2.445 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)c(O)c1 ZINC000185791279 642029227 /nfs/dbraw/zinc/02/92/27/642029227.db2.gz ZNTZQFOTXADCFR-NWDGAFQWSA-N 1 0 285.409 2.174 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000877429142 650716686 /nfs/dbraw/zinc/71/66/86/650716686.db2.gz CDUUZGKYSHIYJF-GFCCVEGCSA-N 1 0 257.337 2.002 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c(O)c1 ZINC000848564422 642055901 /nfs/dbraw/zinc/05/59/01/642055901.db2.gz NDFNKNCBLHAHFJ-VXGBXAGGSA-N 1 0 286.379 2.037 20 10 CECDRO CCc1cccc(C[NH+]2CCC3(CNC(=O)C3)CC2)c1O ZINC000848886484 642172110 /nfs/dbraw/zinc/17/21/10/642172110.db2.gz GHRQHNDMXHHUBY-UHFFFAOYSA-N 1 0 288.391 2.057 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O ZINC000848898571 642178030 /nfs/dbraw/zinc/17/80/30/642178030.db2.gz WENUBRLVJLPOHX-KCPJHIHWSA-N 1 0 288.391 2.054 20 10 CECDRO CCc1cccc(C[NH+]2CC(c3nc(C)no3)C2)c1O ZINC000848914088 642188233 /nfs/dbraw/zinc/18/82/33/642188233.db2.gz DFOOTEUTDYJYLG-UHFFFAOYSA-N 1 0 273.336 2.245 20 10 CECDRO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C)cc1O ZINC000877464724 650731859 /nfs/dbraw/zinc/73/18/59/650731859.db2.gz LPANPSLEPIQSPX-NOLJZWGESA-N 1 0 289.375 2.474 20 10 CECDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522108 650764662 /nfs/dbraw/zinc/76/46/62/650764662.db2.gz APIXZHNYUATRME-AWEZNQCLSA-N 1 0 292.423 2.114 20 10 CECDRO OC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCC1 ZINC000921722551 642561977 /nfs/dbraw/zinc/56/19/77/642561977.db2.gz PWJYFHGMQJUIFY-UHFFFAOYSA-N 1 0 261.365 2.406 20 10 CECDRO c1cc2c(cc1C[NH2+]CCOC[C@@H]1CCCO1)CCCO2 ZINC000921744574 642573202 /nfs/dbraw/zinc/57/32/02/642573202.db2.gz FFHDXURRKJTDBB-INIZCTEOSA-N 1 0 291.391 2.297 20 10 CECDRO COC(=O)N1CCC(C[NH2+]Cc2c(C)cccc2O)CC1 ZINC000877518577 650762376 /nfs/dbraw/zinc/76/23/76/650762376.db2.gz KHDMFCXIHCCVBP-UHFFFAOYSA-N 1 0 292.379 2.269 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@@H](C)[S@@]1=O ZINC000877519688 650763174 /nfs/dbraw/zinc/76/31/74/650763174.db2.gz ZLLGIPMCTITWMW-VPZZIHKRSA-N 1 0 281.421 2.432 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3nc(C)c[nH]3)C2)cc1 ZINC000850346465 642675223 /nfs/dbraw/zinc/67/52/23/642675223.db2.gz GEVUXBZNYPTOJF-CYBMUJFWSA-N 1 0 286.379 2.095 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCO[C@@H]2CC2(F)F)c1 ZINC000850365895 642683428 /nfs/dbraw/zinc/68/34/28/642683428.db2.gz SOPWVWDXBFXCLL-CYBMUJFWSA-N 1 0 287.306 2.305 20 10 CECDRO CCOc1ccc(C[NH2+]CCO[C@H]2CC2(F)F)c(O)c1 ZINC000850365106 642683732 /nfs/dbraw/zinc/68/37/32/642683732.db2.gz BOONMNQSEJJOLA-ZDUSSCGKSA-N 1 0 287.306 2.305 20 10 CECDRO CCOc1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)c(O)c1 ZINC000850386285 642694762 /nfs/dbraw/zinc/69/47/62/642694762.db2.gz HZXYIQFWYVCNAW-UHFFFAOYSA-N 1 0 291.391 2.432 20 10 CECDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)[C@@H]1CCOC1 ZINC000850484401 642728569 /nfs/dbraw/zinc/72/85/69/642728569.db2.gz IIQHJWPFIYTGCI-WOSRLPQWSA-N 1 0 279.380 2.403 20 10 CECDRO CCOC1CC([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000850488765 642730100 /nfs/dbraw/zinc/73/01/00/642730100.db2.gz OMSWQIXIPXIGSC-CBCUQQMYSA-N 1 0 290.407 2.431 20 10 CECDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922183187 642941247 /nfs/dbraw/zinc/94/12/47/642941247.db2.gz ARABCGYWFJGFKT-LBPRGKRZSA-N 1 0 276.380 2.014 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](C)C(OC)OC)ccc1OC ZINC000922312164 643020465 /nfs/dbraw/zinc/02/04/65/643020465.db2.gz TWEKCOGZBSHOHM-LBPRGKRZSA-N 1 0 297.395 2.329 20 10 CECDRO CCN1CC[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922336030 643035760 /nfs/dbraw/zinc/03/57/60/643035760.db2.gz YOOMJJNGTHYKFT-HNNXBMFYSA-N 1 0 260.381 2.195 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CNC(=O)C2)cc1 ZINC000851717008 643123687 /nfs/dbraw/zinc/12/36/87/643123687.db2.gz UCCDQHWSUBWZOF-OAHLLOKOSA-N 1 0 289.423 2.101 20 10 CECDRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCN1C ZINC000922554740 643124164 /nfs/dbraw/zinc/12/41/64/643124164.db2.gz MJCHOKFNOPSTDE-YGRLFVJLSA-N 1 0 283.366 2.213 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@]1(OC)CCSC1 ZINC000922572248 643131420 /nfs/dbraw/zinc/13/14/20/643131420.db2.gz SXKSTGDZORYCFP-AWEZNQCLSA-N 1 0 283.393 2.013 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000877620981 650818164 /nfs/dbraw/zinc/81/81/64/650818164.db2.gz OPRPZXBABLVTOO-PBHICJAKSA-N 1 0 290.407 2.433 20 10 CECDRO C[N@H+](Cc1ccccc1O)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000851841451 643187231 /nfs/dbraw/zinc/18/72/31/643187231.db2.gz SHOPSRWBEUNGJU-AEGPPILISA-N 1 0 288.391 2.271 20 10 CECDRO Cc1ccc(C[N@@H+]2CCc3c(cccc3C(N)=O)C2)c(O)c1 ZINC000877642853 650830851 /nfs/dbraw/zinc/83/08/51/650830851.db2.gz VKVJPILEMNODGX-UHFFFAOYSA-N 1 0 296.370 2.358 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000086697467 643379088 /nfs/dbraw/zinc/37/90/88/643379088.db2.gz KEWXZRDKSKTRCU-QGZVFWFLSA-N 1 0 292.423 2.284 20 10 CECDRO CO[C@@H](C[NH2+]Cc1cc(C)ccc1O)C1CCOCC1 ZINC000877652874 650834815 /nfs/dbraw/zinc/83/48/15/650834815.db2.gz OPRQJQQPRAWILG-INIZCTEOSA-N 1 0 279.380 2.232 20 10 CECDRO Cc1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c(O)c1 ZINC000877658183 650838164 /nfs/dbraw/zinc/83/81/64/650838164.db2.gz VTWIBZAZOJNRMA-UHFFFAOYSA-N 1 0 290.407 2.439 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCOC1CCOCC1 ZINC000922930944 643457376 /nfs/dbraw/zinc/45/73/76/643457376.db2.gz XVZAUBLKFJKZNE-UHFFFAOYSA-N 1 0 285.771 2.331 20 10 CECDRO Cc1nnc([C@@H](C)N2CCCc3cc(C[NH3+])ccc32)[nH]1 ZINC000852740676 643527966 /nfs/dbraw/zinc/52/79/66/643527966.db2.gz JBRKQRKIIVZXTF-SNVBAGLBSA-N 1 0 271.368 2.086 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000852883543 643587920 /nfs/dbraw/zinc/58/79/20/643587920.db2.gz YNYHMVRTCZQUQA-HNNXBMFYSA-N 1 0 289.423 2.099 20 10 CECDRO C[NH2+]C[C@H](C)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000853248729 643722003 /nfs/dbraw/zinc/72/20/03/643722003.db2.gz JIIOIDIDMOJPCB-JTQLQIEISA-N 1 0 289.345 2.469 20 10 CECDRO COC(=O)C[C@@](C)([NH2+]Cc1cc(OC)ccc1O)C1CC1 ZINC000877706543 650862851 /nfs/dbraw/zinc/86/28/51/650862851.db2.gz HFDDZNUZJYGRPT-MRXNPFEDSA-N 1 0 293.363 2.222 20 10 CECDRO C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)cc1[O-] ZINC000854222687 644016848 /nfs/dbraw/zinc/01/68/48/644016848.db2.gz KHCRNLWBJKECKU-SNVBAGLBSA-N 1 0 252.333 2.453 20 10 CECDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(F)ccc3O)CC[C@H]21 ZINC000877740975 650884598 /nfs/dbraw/zinc/88/45/98/650884598.db2.gz LQCKYKDOHHGJFE-SMDDNHRTSA-N 1 0 264.344 2.057 20 10 CECDRO C[NH2+]C[C@H](C)N[C@H](C)c1ccc(Br)cc1O ZINC000854232168 644018825 /nfs/dbraw/zinc/01/88/25/644018825.db2.gz NVBVIRLDNDTUBK-DTWKUNHWSA-N 1 0 287.201 2.413 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000877743382 650888593 /nfs/dbraw/zinc/88/85/93/650888593.db2.gz KFORQDUAFFEYNF-RDJZCZTQSA-N 1 0 273.424 2.279 20 10 CECDRO Oc1ccccc1C[N@H+](C[C@H](O)C1CC1)C[C@H]1CCCO1 ZINC000838894866 644073078 /nfs/dbraw/zinc/07/30/78/644073078.db2.gz KNQPFHMZSYEWHP-WBVHZDCISA-N 1 0 291.391 2.144 20 10 CECDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCCOC3)cc1 ZINC000839138687 644171179 /nfs/dbraw/zinc/17/11/79/644171179.db2.gz PEBRGWXGXDUFOJ-UHFFFAOYSA-N 1 0 260.381 2.365 20 10 CECDRO CC1(C)C[C@H](O)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC000877753022 650897336 /nfs/dbraw/zinc/89/73/36/650897336.db2.gz VDUHEXKDBAAJPI-LBPRGKRZSA-N 1 0 253.317 2.124 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000839191399 644185235 /nfs/dbraw/zinc/18/52/35/644185235.db2.gz OVFZKVBYZLOINX-NSHDSACASA-N 1 0 275.352 2.375 20 10 CECDRO CCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000877757416 650900092 /nfs/dbraw/zinc/90/00/92/650900092.db2.gz ZMZBLBQJDYVBES-LBPRGKRZSA-N 1 0 276.380 2.444 20 10 CECDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113326919 644355369 /nfs/dbraw/zinc/35/53/69/644355369.db2.gz UIOJXEXZINSIAP-ZDUSSCGKSA-N 1 0 268.376 2.388 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000754732658 644421892 /nfs/dbraw/zinc/42/18/92/644421892.db2.gz SOYXJZLGWSYMBN-LBPRGKRZSA-N 1 0 265.353 2.320 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)CCCn2ccnc2)c1O ZINC000754739956 644423121 /nfs/dbraw/zinc/42/31/21/644423121.db2.gz HQHOFLKBXJLBJY-UHFFFAOYSA-N 1 0 289.379 2.428 20 10 CECDRO CCOC(=O)[C@@H](C)C1C[NH+](Cc2cccc(OC)c2O)C1 ZINC000877829524 650925361 /nfs/dbraw/zinc/92/53/61/650925361.db2.gz VXIDIJNAJVLELL-NSHDSACASA-N 1 0 293.363 2.032 20 10 CECDRO COc1cccc(C[NH2+]CCc2cnc(C3CC3)nc2)c1O ZINC000756047238 644597293 /nfs/dbraw/zinc/59/72/93/644597293.db2.gz QPRFVZNXHXGTOM-UHFFFAOYSA-N 1 0 299.374 2.401 20 10 CECDRO CC(=O)NCCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756371781 644637737 /nfs/dbraw/zinc/63/77/37/644637737.db2.gz MHDORTMMNUIRTA-BXKDBHETSA-N 1 0 280.343 2.195 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2COCCO2)c2c1c(F)ccc2O ZINC000756433592 644648606 /nfs/dbraw/zinc/64/86/06/644648606.db2.gz DLZMJWYGTUMHDW-SCVCMEIPSA-N 1 0 281.327 2.085 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COCCO2)c(O)c1C ZINC000756435137 644648953 /nfs/dbraw/zinc/64/89/53/644648953.db2.gz WNKUTFGQWWDSAB-OLZOCXBDSA-N 1 0 265.353 2.075 20 10 CECDRO C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756491096 644654231 /nfs/dbraw/zinc/65/42/31/644654231.db2.gz XVVWQTLKXVDOOH-HOSYDEDBSA-N 1 0 290.342 2.349 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CCC(=O)N(C)C)c2c1c(F)ccc2O ZINC000756517980 644658116 /nfs/dbraw/zinc/65/81/16/644658116.db2.gz RTYPBTQUGIEZLX-GXSJLCMTSA-N 1 0 280.343 2.148 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCOC[C@@H]2CCOC2)c(O)c1 ZINC000756564171 644667550 /nfs/dbraw/zinc/66/75/50/644667550.db2.gz QQITVXULXPJXBM-ZIAGYGMSSA-N 1 0 279.380 2.404 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOC[C@H]2CCOC2)c1 ZINC000756565807 644668417 /nfs/dbraw/zinc/66/84/17/644668417.db2.gz YTBTVPNPRKDUOP-OLZOCXBDSA-N 1 0 295.379 2.105 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756579496 644671364 /nfs/dbraw/zinc/67/13/64/644671364.db2.gz ZZNPZBKCOPVONT-YVEFUNNKSA-N 1 0 293.407 2.319 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)C2CC2)c1 ZINC000756740595 644688498 /nfs/dbraw/zinc/68/84/98/644688498.db2.gz SAPXDQBSRZZMIR-YGRLFVJLSA-N 1 0 265.353 2.212 20 10 CECDRO Cc1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)ncn1 ZINC000756775947 644691646 /nfs/dbraw/zinc/69/16/46/644691646.db2.gz NLOXXABNABZDAV-SNVBAGLBSA-N 1 0 261.300 2.481 20 10 CECDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1CO ZINC000856796009 644728445 /nfs/dbraw/zinc/72/84/45/644728445.db2.gz MXALOZWQBPCNQL-DZGCQCFKSA-N 1 0 262.397 2.203 20 10 CECDRO CN(CCC[NH+]1CCCC1)C(=O)C1=CC(=O)CS1 ZINC000839753082 644806940 /nfs/dbraw/zinc/80/69/40/644806940.db2.gz BFULGHGLAZDRBI-UHFFFAOYSA-N 1 0 268.382 2.012 20 10 CECDRO COc1ccc(C[N@H+](C)Cc2cccc(OC)c2O)cn1 ZINC000757917823 644857370 /nfs/dbraw/zinc/85/73/70/644857370.db2.gz QATYPEMYUNPIIW-UHFFFAOYSA-N 1 0 288.347 2.436 20 10 CECDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000759173950 644992362 /nfs/dbraw/zinc/99/23/62/644992362.db2.gz SCHLYNMGHGYLJV-HOCLYGCPSA-N 1 0 296.386 2.175 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCOC2)c1O ZINC000759836820 645081212 /nfs/dbraw/zinc/08/12/12/645081212.db2.gz KNKHPZKQBHZLJQ-RYUDHWBXSA-N 1 0 265.353 2.306 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cn(C)nc2Cl)c1 ZINC000858239099 645095627 /nfs/dbraw/zinc/09/56/27/645095627.db2.gz IYRJXUCXTGQCSM-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cn(C(C)(C)C)nn2)c1 ZINC000858239112 645096150 /nfs/dbraw/zinc/09/61/50/645096150.db2.gz JJWOVYAGRXKHKW-UHFFFAOYSA-N 1 0 274.368 2.337 20 10 CECDRO C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc2ccccc2c1O ZINC000858494565 645180491 /nfs/dbraw/zinc/18/04/91/645180491.db2.gz KVKKEINFQAJLKI-RAIGVLPGSA-N 1 0 284.359 2.460 20 10 CECDRO CC[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(Cl)ccc1O ZINC000858549652 645198511 /nfs/dbraw/zinc/19/85/11/645198511.db2.gz XZDGYTDVTUEYTG-OCCSQVGLSA-N 1 0 298.814 2.153 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1O ZINC000858552539 645199319 /nfs/dbraw/zinc/19/93/19/645199319.db2.gz UDZVIXJUNJLKSM-ZWKOPEQDSA-N 1 0 285.771 2.154 20 10 CECDRO C[N@@H+]1CCCC12CCN(C(=O)C1=CC(=O)CS1)CC2 ZINC000761168739 645253336 /nfs/dbraw/zinc/25/33/36/645253336.db2.gz UXUNGZZWWFOMQV-UHFFFAOYSA-N 1 0 280.393 2.154 20 10 CECDRO COc1cccc(C[NH2+]Cc2ccc(F)cn2)c1O ZINC000763523182 645553956 /nfs/dbraw/zinc/55/39/56/645553956.db2.gz VQIQIPOGFRAAJG-UHFFFAOYSA-N 1 0 262.284 2.225 20 10 CECDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](O)C(F)(F)F ZINC000765785708 645809331 /nfs/dbraw/zinc/80/93/31/645809331.db2.gz CRXVBHNQZJMXNA-JOYOIKCWSA-N 1 0 293.285 2.192 20 10 CECDRO CC[C@H]([NH2+]C[C@@](C)(O)COC)c1ccc(N(C)C)cc1 ZINC000765934134 645822966 /nfs/dbraw/zinc/82/29/66/645822966.db2.gz AEJSOKCIPLFTOE-JKSUJKDBSA-N 1 0 280.412 2.191 20 10 CECDRO CCc1nncn1CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000766312957 645873098 /nfs/dbraw/zinc/87/30/98/645873098.db2.gz HULXMAOMVMCOBX-CYBMUJFWSA-N 1 0 287.411 2.257 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000766435874 645886057 /nfs/dbraw/zinc/88/60/57/645886057.db2.gz BJVONMVJVRJFTI-HOTGVXAUSA-N 1 0 289.423 2.414 20 10 CECDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1c(O)cccc1OC ZINC000768172229 646092792 /nfs/dbraw/zinc/09/27/92/646092792.db2.gz NSHGCIMMFVURDH-RYUDHWBXSA-N 1 0 265.353 2.400 20 10 CECDRO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1c(O)cccc1OC ZINC000768172226 646093046 /nfs/dbraw/zinc/09/30/46/646093046.db2.gz NSHGCIMMFVURDH-NEPJUHHUSA-N 1 0 265.353 2.400 20 10 CECDRO CCOc1ccc(C[NH+]2CCC3(CC2)OCCO3)c(O)c1 ZINC000768239170 646099579 /nfs/dbraw/zinc/09/95/79/646099579.db2.gz HNGQDCQRGGRIHR-UHFFFAOYSA-N 1 0 293.363 2.130 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1 ZINC000768519811 646135063 /nfs/dbraw/zinc/13/50/63/646135063.db2.gz XXIOTZUTVNMXAX-QWHCGFSZSA-N 1 0 279.380 2.384 20 10 CECDRO COc1cccc(O)c1CN1CCC([NH2+]C(C)C)CC1 ZINC000769232297 646227808 /nfs/dbraw/zinc/22/78/08/646227808.db2.gz KQGYSQNDBWFFPS-UHFFFAOYSA-N 1 0 278.396 2.363 20 10 CECDRO CCC[N@H+](Cc1c(O)cccc1OC)CC(C)(C)O ZINC000769326262 646244811 /nfs/dbraw/zinc/24/48/11/646244811.db2.gz HEZTYNLCBHMACY-UHFFFAOYSA-N 1 0 267.369 2.384 20 10 CECDRO CCOc1ccc(CN2CC[N@H+](CC)[C@@H](C)C2)c(O)c1 ZINC000769382625 646256603 /nfs/dbraw/zinc/25/66/03/646256603.db2.gz ZMXSMAZQIFJVBG-ZDUSSCGKSA-N 1 0 278.396 2.317 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)c(O)c1 ZINC000769423464 646264082 /nfs/dbraw/zinc/26/40/82/646264082.db2.gz RXKLZSJAXJBCQB-NEPJUHHUSA-N 1 0 265.353 2.400 20 10 CECDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000769467828 646272740 /nfs/dbraw/zinc/27/27/40/646272740.db2.gz ZRGINNBMGHMFGP-NWDGAFQWSA-N 1 0 292.379 2.035 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000770279156 646375837 /nfs/dbraw/zinc/37/58/37/646375837.db2.gz FSCQYMXOFAFAMY-SWLSCSKDSA-N 1 0 295.404 2.107 20 10 CECDRO CN(C)c1cc(F)c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1F ZINC000862351854 646406615 /nfs/dbraw/zinc/40/66/15/646406615.db2.gz TYIUIYYPYPLPDX-BETUJISGSA-N 1 0 295.377 2.024 20 10 CECDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862388017 646431961 /nfs/dbraw/zinc/43/19/61/646431961.db2.gz ULRGGKCDJQTREM-LDYMZIIASA-N 1 0 286.169 2.110 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000770745332 646434247 /nfs/dbraw/zinc/43/42/47/646434247.db2.gz GRVDJOIUNBTYMG-NWDGAFQWSA-N 1 0 265.353 2.306 20 10 CECDRO Fc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)ccc1N1CCOCC1 ZINC000862442187 646460470 /nfs/dbraw/zinc/46/04/70/646460470.db2.gz YQHANTXNWFSECW-OKILXGFUSA-N 1 0 276.355 2.114 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CC=C(C(=O)OC)C2)c1O ZINC000862464707 646468962 /nfs/dbraw/zinc/46/89/62/646468962.db2.gz GPGDJUDFPPQHFQ-ZDUSSCGKSA-N 1 0 291.347 2.142 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000862464746 646469290 /nfs/dbraw/zinc/46/92/90/646469290.db2.gz HNXZJFBBSNSTEI-AWEZNQCLSA-N 1 0 275.348 2.355 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000862464609 646469343 /nfs/dbraw/zinc/46/93/43/646469343.db2.gz CVGMRTRCDNAKDC-AWEZNQCLSA-N 1 0 274.364 2.104 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CC=C(C(=O)OC)C2)c(O)c1 ZINC000862465762 646469919 /nfs/dbraw/zinc/46/99/19/646469919.db2.gz SXDSMKHBXDMJDM-ZDUSSCGKSA-N 1 0 291.347 2.142 20 10 CECDRO C[NH+]1CCN(c2ccc(C=Cc3nccc(=O)[nH]3)cc2)CC1 ZINC000771527072 646528698 /nfs/dbraw/zinc/52/86/98/646528698.db2.gz ZPOQGVKSDCMFIM-DAXSKMNVSA-N 1 0 296.374 2.104 20 10 CECDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862759259 646559386 /nfs/dbraw/zinc/55/93/86/646559386.db2.gz ZOMLGUMTNGXDIH-AWEZNQCLSA-N 1 0 276.380 2.191 20 10 CECDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C1=CC(=O)CS1 ZINC000863032079 646618768 /nfs/dbraw/zinc/61/87/68/646618768.db2.gz LFOMXJOXLWCQNS-LLVKDONJSA-N 1 0 280.393 2.200 20 10 CECDRO O[C@@H](CNc1ccccc1OCC1CC1)C[NH+]1CCCC1 ZINC000863557312 646755153 /nfs/dbraw/zinc/75/51/53/646755153.db2.gz MZWXDFFIFKYCRJ-HNNXBMFYSA-N 1 0 290.407 2.344 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)[C@H](C)C[S@@](C)=O)cc1 ZINC000773839839 646779385 /nfs/dbraw/zinc/77/93/85/646779385.db2.gz OATVSKHYQQVQAI-BFUOFWGJSA-N 1 0 282.453 2.342 20 10 CECDRO CC[C@@H]([NH2+]CCOCCO)c1cc(Cl)ccc1O ZINC000775485534 646959320 /nfs/dbraw/zinc/95/93/20/646959320.db2.gz WAPKQNXGPCIBDW-GFCCVEGCSA-N 1 0 273.760 2.095 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1cc(Cl)ccc1O ZINC000775501298 646960767 /nfs/dbraw/zinc/96/07/67/646960767.db2.gz GCMIVIQYMFUXGC-DGCLKSJQSA-N 1 0 286.803 2.009 20 10 CECDRO C[C@@H]([NH2+]C[C@H](C)CS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000775826776 646996612 /nfs/dbraw/zinc/99/66/12/646996612.db2.gz HHGFFQWYLAHMLU-QWHCGFSZSA-N 1 0 298.452 2.084 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)c(O)c1 ZINC000775981479 647012826 /nfs/dbraw/zinc/01/28/26/647012826.db2.gz QXZNMJNIKLRUMQ-CHWSQXEVSA-N 1 0 278.396 2.315 20 10 CECDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000775986254 647013238 /nfs/dbraw/zinc/01/32/38/647013238.db2.gz QOUNBRDGGGNPSG-UONOGXRCSA-N 1 0 261.413 2.277 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](OC)C(F)(F)F)c1 ZINC000776175149 647032345 /nfs/dbraw/zinc/03/23/45/647032345.db2.gz XBEUTTSMXVSWAF-LLVKDONJSA-N 1 0 279.258 2.068 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)COC)c1 ZINC000120196774 647086795 /nfs/dbraw/zinc/08/67/95/647086795.db2.gz DFIVYQICUKIKEO-GFCCVEGCSA-N 1 0 253.342 2.306 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccccc1O ZINC000779060675 647284451 /nfs/dbraw/zinc/28/44/51/647284451.db2.gz HXZMTXTWBQHKPI-NWDGAFQWSA-N 1 0 257.337 2.254 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1 ZINC000779064240 647284831 /nfs/dbraw/zinc/28/48/31/647284831.db2.gz HPJYTHKFDUHKRK-RYUDHWBXSA-N 1 0 287.363 2.263 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000779152978 647292314 /nfs/dbraw/zinc/29/23/14/647292314.db2.gz IQENZDYLVIXXGS-OCCSQVGLSA-N 1 0 279.380 2.384 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1O ZINC000865694638 647427744 /nfs/dbraw/zinc/42/77/44/647427744.db2.gz VDVRMGSRZFJTGY-BFTSITSZSA-N 1 0 289.375 2.304 20 10 CECDRO C[C@H]([NH2+]C1CSC1)c1ccc(N2CCOCC2)cc1 ZINC000780873336 647476351 /nfs/dbraw/zinc/47/63/51/647476351.db2.gz SOALQQABPLECJZ-LBPRGKRZSA-N 1 0 278.421 2.289 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCOCC3(CC3)C2)cc1OC ZINC000782303169 647611028 /nfs/dbraw/zinc/61/10/28/647611028.db2.gz XAEKGDRRRAEMGG-UHFFFAOYSA-N 1 0 293.363 2.022 20 10 CECDRO CCOCc1cc(C[NH2+][C@H](C)C[C@@H](C)O)ccc1OC ZINC000782978035 647667628 /nfs/dbraw/zinc/66/76/28/647667628.db2.gz JQSVOWKGGTVFCL-CHWSQXEVSA-N 1 0 281.396 2.481 20 10 CECDRO COc1cccc(O)c1CN(C)CC1([NH+](C)C)CCC1 ZINC000783743363 647755432 /nfs/dbraw/zinc/75/54/32/647755432.db2.gz BWKIBAOJWXIFJD-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccnn1C ZINC000866616150 647843420 /nfs/dbraw/zinc/84/34/20/647843420.db2.gz ZJJNYFVYWWRUFT-CMPLNLGQSA-N 1 0 257.337 2.464 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1O ZINC000785988847 647975751 /nfs/dbraw/zinc/97/57/51/647975751.db2.gz PLKQVJOIMRGUDQ-SGMGOOAPSA-N 1 0 279.380 2.382 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)c1O ZINC000787420296 648107633 /nfs/dbraw/zinc/10/76/33/648107633.db2.gz GFAYYFAZOWNGHQ-AAEUAGOBSA-N 1 0 293.363 2.174 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)[C@H]1C ZINC000787420670 648107655 /nfs/dbraw/zinc/10/76/55/648107655.db2.gz KIVASMJBJVRQBP-CABZTGNLSA-N 1 0 283.755 2.429 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc1 ZINC000788270937 648167794 /nfs/dbraw/zinc/16/77/94/648167794.db2.gz XHBFETXFRURZQS-XJKSGUPXSA-N 1 0 262.397 2.488 20 10 CECDRO C[C@@H](O)CCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000788529999 648199174 /nfs/dbraw/zinc/19/91/74/648199174.db2.gz USLQWXWILURTFN-LLVKDONJSA-N 1 0 254.349 2.142 20 10 CECDRO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000788582277 648204811 /nfs/dbraw/zinc/20/48/11/648204811.db2.gz FRQMCTJCCKXHDG-CYBMUJFWSA-N 1 0 291.374 2.052 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCOC(F)(F)F)c1 ZINC000788963887 648238875 /nfs/dbraw/zinc/23/88/75/648238875.db2.gz DJFFSLGVUIWTTL-UHFFFAOYSA-N 1 0 279.258 2.417 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@]2(C)CO)cc1F ZINC000789557545 648317523 /nfs/dbraw/zinc/31/75/23/648317523.db2.gz KCBAPFIPRUPXSH-OAHLLOKOSA-N 1 0 266.360 2.239 20 10 CECDRO C[C@H](CC[NH2+]Cc1c([O-])ccc(Cl)c1F)[S@](C)=O ZINC000790977420 648466898 /nfs/dbraw/zinc/46/68/98/648466898.db2.gz LONZFGJQBMPPPI-CVJBHZAOSA-N 1 0 293.791 2.431 20 10 CECDRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000792199324 648624031 /nfs/dbraw/zinc/62/40/31/648624031.db2.gz DFWGVWFHVLDHDZ-AAEUAGOBSA-N 1 0 263.337 2.132 20 10 CECDRO Cc1cc(O)c(C[NH2+]Cc2ncccc2O)cc1C ZINC000793255227 648731952 /nfs/dbraw/zinc/73/19/52/648731952.db2.gz DUXZKKVXTIBORC-UHFFFAOYSA-N 1 0 258.321 2.399 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccnn2C(C)C)c(O)c1 ZINC000793391355 648749813 /nfs/dbraw/zinc/74/98/13/648749813.db2.gz VXUZEEGJNJEDEK-UHFFFAOYSA-N 1 0 275.352 2.468 20 10 CECDRO CCCN(Cc1nnc(C)[nH]1)Cc1ccccc1O ZINC000794384946 648860656 /nfs/dbraw/zinc/86/06/56/648860656.db2.gz XNEFAAPUGPIHTB-UHFFFAOYSA-N 1 0 260.341 2.231 20 10 CECDRO C[C@@H](C(=O)N1Cc2cccc(O)c2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000871200772 649029873 /nfs/dbraw/zinc/02/98/73/649029873.db2.gz IPBRDOJBFMDAEM-XQQFMLRXSA-N 1 0 288.391 2.496 20 10 CECDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccccc1O ZINC000872117923 649282717 /nfs/dbraw/zinc/28/27/17/649282717.db2.gz TUQPJSLQIUSUMP-VXGBXAGGSA-N 1 0 263.337 2.386 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000124261089 649493794 /nfs/dbraw/zinc/49/37/94/649493794.db2.gz HRUVYIPRDNZETD-DOMZBBRYSA-N 1 0 279.380 2.432 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H](C)C(=O)NCC)cc1C ZINC000873007852 649529964 /nfs/dbraw/zinc/52/99/64/649529964.db2.gz HTTWKRRCIMXOPG-CYBMUJFWSA-N 1 0 278.396 2.398 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1C ZINC000873008766 649530518 /nfs/dbraw/zinc/53/05/18/649530518.db2.gz CLXQPOMSWAHSIK-CQSZACIVSA-N 1 0 297.420 2.061 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H](C)CC(N)=O)cc1C ZINC000873080483 649553807 /nfs/dbraw/zinc/55/38/07/649553807.db2.gz PPDVMXFYEDLKDO-LBPRGKRZSA-N 1 0 264.369 2.137 20 10 CECDRO CCCOc1ccc(C[NH2+]CC[C@H](O)COC)cc1C ZINC000873099500 649558473 /nfs/dbraw/zinc/55/84/73/649558473.db2.gz KZRRNHKPGFYOLI-HNNXBMFYSA-N 1 0 281.396 2.271 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@]2(CCO)CCOC2)cc1C ZINC000873115097 649560372 /nfs/dbraw/zinc/56/03/72/649560372.db2.gz GGKTYCWVAUZRQQ-KRWDZBQOSA-N 1 0 293.407 2.415 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H](C)CC(=O)NC)cc1C ZINC000873129293 649565344 /nfs/dbraw/zinc/56/53/44/649565344.db2.gz KIYHZAKLNVBJLF-CYBMUJFWSA-N 1 0 278.396 2.398 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C2)cc1C ZINC000873140313 649568380 /nfs/dbraw/zinc/56/83/80/649568380.db2.gz MGPLYCIZHJDUGB-MRXNPFEDSA-N 1 0 290.407 2.494 20 10 CECDRO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000879649623 651335379 /nfs/dbraw/zinc/33/53/79/651335379.db2.gz ZGLBCHVLLXAHRB-LLVKDONJSA-N 1 0 286.331 2.425 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)c1ccccn1)c1ccccc1O ZINC000879649771 651335453 /nfs/dbraw/zinc/33/54/53/651335453.db2.gz GTLCKECKKZMDSG-ABAIWWIYSA-N 1 0 258.321 2.171 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccnn2C)c1O ZINC000879683579 651338868 /nfs/dbraw/zinc/33/88/68/651338868.db2.gz AYYPLVAUEINUKM-VIFPVBQESA-N 1 0 291.326 2.318 20 10 CECDRO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000128689943 651550746 /nfs/dbraw/zinc/55/07/46/651550746.db2.gz USBHSVJQPNJIHP-AWEZNQCLSA-N 1 0 276.380 2.110 20 10 CECDRO CCOc1cccc(CN2CC[N@H+](CC)[C@@H](C)C2)c1O ZINC000211402260 651603896 /nfs/dbraw/zinc/60/38/96/651603896.db2.gz KQCHLBVILDWKEN-ZDUSSCGKSA-N 1 0 278.396 2.317 20 10 CECDRO CC[S@](=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000130854680 652349148 /nfs/dbraw/zinc/34/91/48/652349148.db2.gz XBMODZUKVDQZFR-KZULUSFZSA-N 1 0 268.426 2.172 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2C[C@H](OC)C2)c1 ZINC000883263578 652417964 /nfs/dbraw/zinc/41/79/64/652417964.db2.gz ZMQATJRAJQSTRF-YEORSEQZSA-N 1 0 265.353 2.306 20 10 CECDRO COc1cccc(C[N@@H+]2CCS[C@H](C)C2)c1O ZINC000131388295 652421629 /nfs/dbraw/zinc/42/16/29/652421629.db2.gz QGSYNYXPNOTGEK-SNVBAGLBSA-N 1 0 253.367 2.338 20 10 CECDRO CNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000133334890 652621395 /nfs/dbraw/zinc/62/13/95/652621395.db2.gz BYYQYNZDQXDPPN-UHFFFAOYSA-N 1 0 282.771 2.004 20 10 CECDRO CCN(CC)C(=O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000134492709 652847299 /nfs/dbraw/zinc/84/72/99/652847299.db2.gz VEFZWDWGLPTYBE-UHFFFAOYSA-N 1 0 270.760 2.004 20 10 CECDRO COCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000134905729 652887104 /nfs/dbraw/zinc/88/71/04/652887104.db2.gz WRNIAPMNWBLPOD-QMMMGPOBSA-N 1 0 274.158 2.452 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000396517089 802330907 /nfs/dbraw/zinc/33/09/07/802330907.db2.gz DZUHQSALCCDNMM-LLVKDONJSA-N 1 0 251.326 2.058 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCOC2(C)C)c1 ZINC000693079799 802641963 /nfs/dbraw/zinc/64/19/63/802641963.db2.gz QEYYBNZKDILRII-GFCCVEGCSA-N 1 0 265.353 2.306 20 10 CECDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@H](F)C2)cc1 ZINC001210580898 802709511 /nfs/dbraw/zinc/70/95/11/802709511.db2.gz MYZUPMMGYQXNRW-HNNXBMFYSA-N 1 0 279.403 2.276 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCO[C@H]2CC2(F)F)c1 ZINC000690723714 802881124 /nfs/dbraw/zinc/88/11/24/802881124.db2.gz BTMDVXDVCOVHHI-LBPRGKRZSA-N 1 0 257.280 2.214 20 10 CECDRO CC[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000723545750 802884832 /nfs/dbraw/zinc/88/48/32/802884832.db2.gz KUPDQAUYKDMVJQ-JSGCOSHPSA-N 1 0 276.380 2.301 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)[C@H](C)CO1 ZINC000403831376 803127218 /nfs/dbraw/zinc/12/72/18/803127218.db2.gz QAYXRFAVTWUHGE-YPMHNXCESA-N 1 0 265.353 2.400 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c1 ZINC001140623621 803247001 /nfs/dbraw/zinc/24/70/01/803247001.db2.gz YLVCWSNHBGZPMM-UHFFFAOYSA-N 1 0 284.359 2.402 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000724815037 803302112 /nfs/dbraw/zinc/30/21/12/803302112.db2.gz ZWURIQLTZDGMQO-ABAIWWIYSA-N 1 0 263.337 2.012 20 10 CECDRO [NH3+]C[C@H](NCc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001118335331 815004076 /nfs/dbraw/zinc/00/40/76/815004076.db2.gz MFXYYJVFBAZPHM-ZDUSSCGKSA-N 1 0 287.329 2.266 20 10 CECDRO C[C@H](C[NH2+]Cc1cc(F)ccc1O)CC1(C)OCCO1 ZINC000715907681 815004950 /nfs/dbraw/zinc/00/49/50/815004950.db2.gz IJNFTIUWDCNUEN-NSHDSACASA-N 1 0 283.343 2.410 20 10 CECDRO CC(C)(C)c1ccc(O)c(CN2CCC[NH2+]CC2)c1 ZINC001204675768 804537550 /nfs/dbraw/zinc/53/75/50/804537550.db2.gz WQMOCUIIYTXYHS-UHFFFAOYSA-N 1 0 262.397 2.485 20 10 CECDRO Cc1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC001119295172 815084253 /nfs/dbraw/zinc/08/42/53/815084253.db2.gz DWIGSWFOXGZBPR-OAHLLOKOSA-N 1 0 260.381 2.371 20 10 CECDRO Cc1cccc(C[NH2+]CCO[C@H]2CC2(F)F)c1O ZINC000690726778 807245344 /nfs/dbraw/zinc/24/53/44/807245344.db2.gz YSFMCVZYPNLPMF-NSHDSACASA-N 1 0 257.280 2.214 20 10 CECDRO COc1cccc(C[NH2+]Cc2[nH]nc(C)c2C)c1O ZINC000716447909 815124585 /nfs/dbraw/zinc/12/45/85/815124585.db2.gz QGIIRBALRAPOCQ-UHFFFAOYSA-N 1 0 261.325 2.031 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nccnc2C)c1 ZINC000699907627 807905628 /nfs/dbraw/zinc/90/56/28/807905628.db2.gz CGDYZUYJOSZEGH-JTQLQIEISA-N 1 0 273.336 2.350 20 10 CECDRO Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@H](O)C1 ZINC001237121118 808194110 /nfs/dbraw/zinc/19/41/10/808194110.db2.gz KBSQDKBOGSWNTC-QMMMGPOBSA-N 1 0 259.708 2.141 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)CCC2CC2)cc1C ZINC001125023106 808320192 /nfs/dbraw/zinc/32/01/92/808320192.db2.gz BHUBWTGWHWZQIA-UHFFFAOYSA-N 1 0 290.407 2.400 20 10 CECDRO C[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(N)cc1 ZINC001120269230 815209608 /nfs/dbraw/zinc/20/96/08/815209608.db2.gz OWAHGJDUGYCPDK-VIFPVBQESA-N 1 0 262.275 2.326 20 10 CECDRO CCc1noc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000700926208 809372983 /nfs/dbraw/zinc/37/29/83/809372983.db2.gz OCKVAVDGQXSCPL-UHFFFAOYSA-N 1 0 272.352 2.044 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H](O)CC(F)(F)F ZINC000700922680 809373593 /nfs/dbraw/zinc/37/35/93/809373593.db2.gz GEPXTHQFBCMVLK-GFCCVEGCSA-N 1 0 288.313 2.211 20 10 CECDRO Cc1ccc2c(c1)CCCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000702448349 809558759 /nfs/dbraw/zinc/55/87/59/809558759.db2.gz NYQLHZBHKDALKH-CQSZACIVSA-N 1 0 256.349 2.322 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCC1CC(O)C1 ZINC000702471317 809559941 /nfs/dbraw/zinc/55/99/41/809559941.db2.gz ZRAJZSIVSJLFBH-UHFFFAOYSA-N 1 0 255.745 2.296 20 10 CECDRO C[NH+](C)CCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703327192 809638351 /nfs/dbraw/zinc/63/83/51/809638351.db2.gz GZGFWVTYKUNOQQ-UHFFFAOYSA-N 1 0 258.312 2.102 20 10 CECDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)c1ccc(N)cc1 ZINC000706291734 809818055 /nfs/dbraw/zinc/81/80/55/809818055.db2.gz SAEMOLVLXQAZOH-TXEJJXNPSA-N 1 0 261.369 2.104 20 10 CECDRO C[C@H]([NH2+]Cc1c(O)cccc1Br)C(C)(C)O ZINC000706808337 809855580 /nfs/dbraw/zinc/85/55/80/809855580.db2.gz JPJJWQFQPMNLDA-QMMMGPOBSA-N 1 0 288.185 2.404 20 10 CECDRO C[C@@H](O)CC[NH2+]Cc1c(O)cccc1Br ZINC000706828529 809855871 /nfs/dbraw/zinc/85/58/71/809855871.db2.gz GQMNVDBWHWKGBA-MRVPVSSYSA-N 1 0 274.158 2.015 20 10 CECDRO CO[C@@H](C)C[NH2+]Cc1c(O)cccc1Br ZINC000706846431 809857811 /nfs/dbraw/zinc/85/78/11/809857811.db2.gz ICIPTIRILCNQQB-QMMMGPOBSA-N 1 0 274.158 2.279 20 10 CECDRO CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708504555 809944092 /nfs/dbraw/zinc/94/40/92/809944092.db2.gz RXVJPUBEMOCDFU-JTQLQIEISA-N 1 0 270.323 2.102 20 10 CECDRO [NH3+][C@@H]1CCN(c2cc(F)c(OC(F)F)c(F)c2)C1 ZINC001164282301 810339000 /nfs/dbraw/zinc/33/90/00/810339000.db2.gz VWXXTLGFYZQYDG-ZCFIWIBFSA-N 1 0 264.222 2.104 20 10 CECDRO CC(C)OCC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172437088 815436573 /nfs/dbraw/zinc/43/65/73/815436573.db2.gz YYNQAQALTZWUHF-NSHDSACASA-N 1 0 281.352 2.074 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)CC(C)C)cc1C ZINC001122795342 815444649 /nfs/dbraw/zinc/44/46/49/815444649.db2.gz USNOHMFYNOPGKW-UHFFFAOYSA-N 1 0 278.396 2.256 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC001172592636 815466561 /nfs/dbraw/zinc/46/65/61/815466561.db2.gz ISXKESIMGILRIC-HUUCEWRRSA-N 1 0 289.375 2.443 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+]CCc1cn[nH]c1 ZINC000691489559 811957568 /nfs/dbraw/zinc/95/75/68/811957568.db2.gz RUCGTIUISHFVOR-UHFFFAOYSA-N 1 0 296.168 2.210 20 10 CECDRO CCc1cccc(C[NH2+]CCSCCCO)c1O ZINC000691499292 811959205 /nfs/dbraw/zinc/95/92/05/811959205.db2.gz GHLFJOHYYWJYHD-UHFFFAOYSA-N 1 0 269.410 2.160 20 10 CECDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)Cc1ccccc1O ZINC000387564999 813215319 /nfs/dbraw/zinc/21/53/19/813215319.db2.gz ZFWMCGPPDULKIS-CYBMUJFWSA-N 1 0 278.396 2.375 20 10 CECDRO COCC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000393518365 813316573 /nfs/dbraw/zinc/31/65/73/813316573.db2.gz MPOSXPZDVHHYKL-UHFFFAOYSA-N 1 0 290.407 2.182 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(C)(C)O)c1 ZINC000393959082 813333413 /nfs/dbraw/zinc/33/34/13/813333413.db2.gz AINGPSBXXHWXSR-NXEZZACHSA-N 1 0 253.342 2.211 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)O ZINC000394010603 813334495 /nfs/dbraw/zinc/33/44/95/813334495.db2.gz DBKKQBFZXVCOQT-INIZCTEOSA-N 1 0 292.423 2.162 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CS[C@@H](C)C2)c1 ZINC000397962964 813649347 /nfs/dbraw/zinc/64/93/47/813649347.db2.gz ISFXLPLUKNATKP-GXSJLCMTSA-N 1 0 253.367 2.384 20 10 CECDRO C[C@H](CC(F)(F)F)[NH2+]CCc1cc(O)c(O)cc1O ZINC001255636522 813824359 /nfs/dbraw/zinc/82/43/59/813824359.db2.gz PGIAXLQBNNLBMY-SSDOTTSWSA-N 1 0 279.258 2.276 20 10 CECDRO C[N@H+](CCc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144499871 814090096 /nfs/dbraw/zinc/09/00/96/814090096.db2.gz NCXUTVQURJEMQO-UHFFFAOYSA-N 1 0 273.332 2.478 20 10 CECDRO C[C@@H]1CCCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500497 814091514 /nfs/dbraw/zinc/09/15/14/814091514.db2.gz VAQCRJXWWZJAFJ-SNVBAGLBSA-N 1 0 251.326 2.425 20 10 CECDRO CC[N@H+](CCN1CCCCC1)Cc1c(O)cc(O)cc1O ZINC001144514538 814098377 /nfs/dbraw/zinc/09/83/77/814098377.db2.gz KDDZRWYBJFFFAB-UHFFFAOYSA-N 1 0 294.395 2.111 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)[C@H]1C ZINC001144509122 814098719 /nfs/dbraw/zinc/09/87/19/814098719.db2.gz LJMQNVHCAHUDHI-ZJUUUORDSA-N 1 0 251.326 2.424 20 10 CECDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1(CO)CC1 ZINC000696098793 814641469 /nfs/dbraw/zinc/64/14/69/814641469.db2.gz HKZMQIZSASRLOU-VIFPVBQESA-N 1 0 255.745 2.296 20 10 CECDRO CCN1CC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000712597338 814755931 /nfs/dbraw/zinc/75/59/31/814755931.db2.gz XXQOJZKYKRMUPH-GFCCVEGCSA-N 1 0 254.761 2.229 20 10 CECDRO CCC[NH+]1C[C@@H]2C[NH+](Cc3cccc(F)c3[O-])C[C@H]2C1 ZINC001138131039 815736363 /nfs/dbraw/zinc/73/63/63/815736363.db2.gz NRQPEMYSEBPJMV-ZIAGYGMSSA-N 1 0 278.371 2.305 20 10 CECDRO Cc1c(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c2ccccc2n1C ZINC001138252309 815754426 /nfs/dbraw/zinc/75/44/26/815754426.db2.gz BPCVQUFYDGYZQB-DZGCQCFKSA-N 1 0 262.328 2.001 20 10 CECDRO CN1CCCc2cc(C[N@H+](C3CC3)C3COC3)ccc21 ZINC001138356344 815775579 /nfs/dbraw/zinc/77/55/79/815775579.db2.gz LOBXWGMSFKRZKG-UHFFFAOYSA-N 1 0 272.392 2.432 20 10 CECDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCS1 ZINC001140060243 816180543 /nfs/dbraw/zinc/18/05/43/816180543.db2.gz QSWAJDXJBSLXLN-CYBMUJFWSA-N 1 0 299.367 2.012 20 10 CECDRO CC[N@H+](CCn1ccnc1)Cc1cc(F)ccc1O ZINC001140060446 816181506 /nfs/dbraw/zinc/18/15/06/816181506.db2.gz WGPUWXYAKJEKTO-UHFFFAOYSA-N 1 0 263.316 2.250 20 10 CECDRO COC(=O)[C@]1(F)CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178757 816204218 /nfs/dbraw/zinc/20/42/18/816204218.db2.gz WSFZROINJFYOIF-HNNXBMFYSA-N 1 0 281.327 2.096 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCC3(CC(=O)CO3)CC2)c1O ZINC001140178422 816204671 /nfs/dbraw/zinc/20/46/71/816204671.db2.gz LHCDJWQRFHWLPR-UHFFFAOYSA-N 1 0 289.375 2.333 20 10 CECDRO CCN1C[C@@H](C)[N@H+](Cc2c(C)ccc(C)c2O)CC1=O ZINC001140183835 816206087 /nfs/dbraw/zinc/20/60/87/816206087.db2.gz JHQTWVPUVIBBIE-CYBMUJFWSA-N 1 0 276.380 2.062 20 10 CECDRO CC[NH+]1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140461647 816260322 /nfs/dbraw/zinc/26/03/22/816260322.db2.gz OSUFJVBYLMUMTJ-UHFFFAOYSA-N 1 0 254.761 2.183 20 10 CECDRO CC[N@H+](Cc1ccc(Cl)cc1O)C1CN(C)C1 ZINC001140464585 816261215 /nfs/dbraw/zinc/26/12/15/816261215.db2.gz WFDSSQOWLGYUCY-UHFFFAOYSA-N 1 0 254.761 2.182 20 10 CECDRO COCCC[NH+]1CCN(Cc2ccc(Cl)cc2O)CC1 ZINC001140466615 816262049 /nfs/dbraw/zinc/26/20/49/816262049.db2.gz IAWVPIUJYHRTJI-UHFFFAOYSA-N 1 0 298.814 2.200 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c1 ZINC001140623971 816305937 /nfs/dbraw/zinc/30/59/37/816305937.db2.gz ZOAKLGWPVSLGFZ-UHFFFAOYSA-N 1 0 270.332 2.360 20 10 CECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2O)CCS1 ZINC001140623654 816306667 /nfs/dbraw/zinc/30/66/67/816306667.db2.gz OGDNSUYQDOJOGG-AWEZNQCLSA-N 1 0 295.404 2.181 20 10 CECDRO CCOC(=O)NC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140624196 816307052 /nfs/dbraw/zinc/30/70/52/816307052.db2.gz KELZLHRRRDTBPB-UHFFFAOYSA-N 1 0 292.379 2.411 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCN(c3cc(C)ncn3)CC2)c1 ZINC001140624273 816308875 /nfs/dbraw/zinc/30/88/75/816308875.db2.gz OEQQWVOWONFFBQ-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CCN(c3ccccn3)CC2)c1O ZINC001140741969 816338180 /nfs/dbraw/zinc/33/81/80/816338180.db2.gz FQODCKPYNINNEQ-UHFFFAOYSA-N 1 0 299.374 2.123 20 10 CECDRO Cc1c(O)ccc(C[N@@H+](C)[C@@H]2CCC3(C2)OCCO3)c1O ZINC001140749832 816342396 /nfs/dbraw/zinc/34/23/96/816342396.db2.gz NYFMDGLBCWHPAQ-CYBMUJFWSA-N 1 0 293.363 2.134 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](O)C2)c(O)c1 ZINC001140851110 816382542 /nfs/dbraw/zinc/38/25/42/816382542.db2.gz CBDQTZSIBDCIGF-OAHLLOKOSA-N 1 0 278.396 2.195 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CO)C2)c(Cl)c1 ZINC001140923844 816411104 /nfs/dbraw/zinc/41/11/04/816411104.db2.gz JCCNGKGELLWNCC-NSHDSACASA-N 1 0 268.788 2.220 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)[C@@H]1C ZINC001140950734 816424202 /nfs/dbraw/zinc/42/42/02/816424202.db2.gz GAEMKPYIYXFUBJ-TZMCWYRMSA-N 1 0 277.364 2.474 20 10 CECDRO Cc1ccc(C[NH+]2CC(N3CCC(F)CC3)C2)c(O)c1 ZINC001140950797 816424455 /nfs/dbraw/zinc/42/44/55/816424455.db2.gz JFPQDHNNJOVYQE-UHFFFAOYSA-N 1 0 278.371 2.319 20 10 CECDRO Cc1ccc(C[N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)c(O)c1 ZINC001140957978 816425314 /nfs/dbraw/zinc/42/53/14/816425314.db2.gz OSOZNKYHRZABDG-DZGCQCFKSA-N 1 0 260.381 2.227 20 10 CECDRO COC[C@H]1CCC[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141031535 816450459 /nfs/dbraw/zinc/45/04/59/816450459.db2.gz HLCRGGNHEOISJT-LLVKDONJSA-N 1 0 281.352 2.020 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141031816 816452444 /nfs/dbraw/zinc/45/24/44/816452444.db2.gz MVMXCGOICCCRFQ-FZMZJTMJSA-N 1 0 295.379 2.002 20 10 CECDRO Cc1cc(C[N@@H+]2CCN3C[C@@H](F)C[C@H]3C2)ccc1N(C)C ZINC001176776791 816470431 /nfs/dbraw/zinc/47/04/31/816470431.db2.gz ATHJVIPBAKRLSN-HOTGVXAUSA-N 1 0 291.414 2.289 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@]1(C)O ZINC001141139791 816483582 /nfs/dbraw/zinc/48/35/82/816483582.db2.gz BLPUWQGVTJUIAO-DYVFJYSZSA-N 1 0 290.407 2.108 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CC[C@@]4(CCOC4)C3)ccc21 ZINC001141139785 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ZINC000093457424 344224313 /nfs/dbraw/zinc/22/43/13/344224313.db2.gz ZWBDQDVIVZLYIW-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO CCC[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC000160194966 344457888 /nfs/dbraw/zinc/45/78/88/344457888.db2.gz MEBFIIFDLSKHAD-UHFFFAOYSA-N 1 0 252.333 2.059 20 10 CECDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000063000423 362740569 /nfs/dbraw/zinc/74/05/69/362740569.db2.gz VYPSAZJXRICJMR-INIZCTEOSA-N 1 0 269.344 2.445 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000134524159 366334426 /nfs/dbraw/zinc/33/44/26/366334426.db2.gz HVCMJEOBTPHTFO-SNVBAGLBSA-N 1 0 282.771 2.146 20 10 CECDRO COCCCOCC[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000091026216 364069631 /nfs/dbraw/zinc/06/96/31/364069631.db2.gz UWMQYDQLWVLZAT-UHFFFAOYSA-N 1 0 281.396 2.494 20 10 CECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093813697 364231126 /nfs/dbraw/zinc/23/11/26/364231126.db2.gz UEGBENAQPXNLES-AWEZNQCLSA-N 1 0 283.755 2.431 20 10 CECDRO CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000171937409 367642934 /nfs/dbraw/zinc/64/29/34/367642934.db2.gz YDLASLMHDCAUCL-NWDGAFQWSA-N 1 0 264.369 2.127 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179643513 368347261 /nfs/dbraw/zinc/34/72/61/368347261.db2.gz JVDBKNCGTZNLFL-ZDUSSCGKSA-N 1 0 263.337 2.086 20 10 CECDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179691915 368349214 /nfs/dbraw/zinc/34/92/14/368349214.db2.gz GUFJJHAILZHUBJ-CQSZACIVSA-N 1 0 292.379 2.411 20 10 CECDRO CCOC[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180622104 368389447 /nfs/dbraw/zinc/38/94/47/368389447.db2.gz SNBYDDQBPCYCCQ-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO CCOCCO[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180769430 368394697 /nfs/dbraw/zinc/39/46/97/368394697.db2.gz HTVFEYOITNRWLS-HNNXBMFYSA-N 1 0 279.380 2.328 20 10 CECDRO Cc1noc(CC[NH2+][C@H](C)c2cc(C)ccc2O)n1 ZINC000185972041 368896387 /nfs/dbraw/zinc/89/63/87/368896387.db2.gz IVNXMAICAYDJLY-SNVBAGLBSA-N 1 0 261.325 2.285 20 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ZINC000272931967 373719591 /nfs/dbraw/zinc/71/95/91/373719591.db2.gz ZQRYRUNWPUVEKW-SWLSCSKDSA-N 1 0 280.437 2.480 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000273175720 373747866 /nfs/dbraw/zinc/74/78/66/373747866.db2.gz NHPSVCBYGHDANU-CVEARBPZSA-N 1 0 277.364 2.448 20 10 CECDRO C[C@H](NCc1nncn1C)c1cc(Cl)ccc1O ZINC000273407671 373755624 /nfs/dbraw/zinc/75/56/24/373755624.db2.gz OYAAPHKCTXPDCG-QMMMGPOBSA-N 1 0 266.732 2.025 20 10 CECDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273445331 373757623 /nfs/dbraw/zinc/75/76/23/373757623.db2.gz DYDTXPZDFPWZFA-YPMHNXCESA-N 1 0 299.436 2.483 20 10 CECDRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC000374678423 374625456 /nfs/dbraw/zinc/62/54/56/374625456.db2.gz KFDNKOJGIMEFCV-BLLLJJGKSA-N 1 0 293.338 2.306 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]3COC[C@H]32)c1 ZINC000375705170 374671359 /nfs/dbraw/zinc/67/13/59/374671359.db2.gz PFEXZBXSBYCHJX-SWLSCSKDSA-N 1 0 277.364 2.402 20 10 CECDRO Oc1ccccc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000375689465 374672168 /nfs/dbraw/zinc/67/21/68/374672168.db2.gz DYHCQUZVWJALSO-HNNXBMFYSA-N 1 0 287.363 2.061 20 10 CECDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccccc1O ZINC000281186829 375360829 /nfs/dbraw/zinc/36/08/29/375360829.db2.gz QZGLSLTUDFFUJU-NSHDSACASA-N 1 0 283.393 2.010 20 10 CECDRO COc1cc(O)c(C[N@H+]2CC[C@H](OC)C[C@@H]2C)cc1OC ZINC000282364292 375467596 /nfs/dbraw/zinc/46/75/96/375467596.db2.gz PVYMTIWKKMZDDS-AAEUAGOBSA-N 1 0 295.379 2.409 20 10 CECDRO C[C@@H]([NH2+]CCC1(O)CCC1)c1cc(F)ccc1O ZINC000284382071 375828034 /nfs/dbraw/zinc/82/80/34/375828034.db2.gz OMQFDTWSVYMMOM-SNVBAGLBSA-N 1 0 253.317 2.487 20 10 CECDRO COCC1([NH2+]Cc2cc(OC)ccc2O)CCC1 ZINC000285153947 375835698 /nfs/dbraw/zinc/83/56/98/375835698.db2.gz PCLUXPKWIGMSTD-UHFFFAOYSA-N 1 0 251.326 2.060 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCO[C@]3(CCCOC3)C2)cc1C ZINC000285162685 375836556 /nfs/dbraw/zinc/83/65/56/375836556.db2.gz SMACHVCYMFOTRG-QGZVFWFLSA-N 1 0 291.391 2.390 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1ccc(F)cc1[O-] ZINC000286272460 375894231 /nfs/dbraw/zinc/89/42/31/375894231.db2.gz VOYPFZPDVGEYFN-BMKPQVEQSA-N 1 0 273.373 2.339 20 10 CECDRO Cc1cc(C[N@@H+](C)CC(=O)NC(C)C)ccc1N(C)C ZINC000293562659 377631313 /nfs/dbraw/zinc/63/13/13/377631313.db2.gz SBQSTNSWFCHALW-UHFFFAOYSA-N 1 0 277.412 2.017 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293770285 377749841 /nfs/dbraw/zinc/74/98/41/377749841.db2.gz YNKVQNYCQMHULF-UHFFFAOYSA-N 1 0 281.327 2.260 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1F ZINC000294120083 377911625 /nfs/dbraw/zinc/91/16/25/377911625.db2.gz TVWNJBHMGALKHQ-CYBMUJFWSA-N 1 0 266.360 2.239 20 10 CECDRO CN(C)C(=O)C1([NH2+]Cc2cc(F)ccc2O)CCCCC1 ZINC000294976451 378032686 /nfs/dbraw/zinc/03/26/86/378032686.db2.gz JLYHXPBAONYSAJ-UHFFFAOYSA-N 1 0 294.370 2.412 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](O)C(F)F ZINC000294972041 378033283 /nfs/dbraw/zinc/03/32/83/378033283.db2.gz FUPRPSJYJNTSLK-QWHCGFSZSA-N 1 0 272.339 2.247 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)CC(C)(C)O)c1O ZINC000295121304 378043307 /nfs/dbraw/zinc/04/33/07/378043307.db2.gz WORQCSYONQONII-JTQLQIEISA-N 1 0 253.342 2.040 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000294835861 378021996 /nfs/dbraw/zinc/02/19/96/378021996.db2.gz QKZDVXNZBQNEFP-CQSZACIVSA-N 1 0 265.353 2.448 20 10 CECDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)NC(C)(C)C ZINC000295787443 378302948 /nfs/dbraw/zinc/30/29/48/378302948.db2.gz ABDOCUYZBCMXCF-JQWIXIFHSA-N 1 0 276.380 2.272 20 10 CECDRO CC(C)[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297744391 378689795 /nfs/dbraw/zinc/68/97/95/378689795.db2.gz DGRFOMRHCGCJNE-CQSZACIVSA-N 1 0 291.439 2.345 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)[C@H]1SC ZINC000298229943 378695940 /nfs/dbraw/zinc/69/59/40/378695940.db2.gz BFEQGBFOIFCXHF-MRVWCRGKSA-N 1 0 267.394 2.391 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)[C@@H]1SC ZINC000298229947 378696307 /nfs/dbraw/zinc/69/63/07/378696307.db2.gz BFEQGBFOIFCXHF-YUTCNCBUSA-N 1 0 267.394 2.391 20 10 CECDRO CC(C)NC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000298727361 378815328 /nfs/dbraw/zinc/81/53/28/378815328.db2.gz RBMKMXFKCFACAG-UHFFFAOYSA-N 1 0 291.439 2.488 20 10 CECDRO CC[C@H](O)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000305175988 379673129 /nfs/dbraw/zinc/67/31/29/379673129.db2.gz VIGUJAJEYBAWFB-INIZCTEOSA-N 1 0 292.423 2.415 20 10 CECDRO CCOC[C@H]1C[N@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000530105675 380194658 /nfs/dbraw/zinc/19/46/58/380194658.db2.gz ISZBSSDZMLUXJH-OAHLLOKOSA-N 1 0 279.380 2.246 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]Cc2ccnn2C)c1O ZINC000228670964 394476609 /nfs/dbraw/zinc/47/66/09/394476609.db2.gz YKVZSVHSKLTKBY-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO CCOC[C@@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000093839184 394669345 /nfs/dbraw/zinc/66/93/45/394669345.db2.gz LUNSTJJPPSMMMF-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO CN(Cc1cc2c(cc1O)OCO2)CC1([NH+](C)C)CCC1 ZINC000097934142 394700059 /nfs/dbraw/zinc/70/00/59/394700059.db2.gz BXTKULRQHKHMTM-UHFFFAOYSA-N 1 0 292.379 2.037 20 10 CECDRO Oc1ccccc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000361064558 394814251 /nfs/dbraw/zinc/81/42/51/394814251.db2.gz AIMAGZWEYFZKJO-UHFFFAOYSA-N 1 0 257.337 2.495 20 10 CECDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000122696292 394816206 /nfs/dbraw/zinc/81/62/06/394816206.db2.gz FAUNYSQYESKHJU-LBPRGKRZSA-N 1 0 282.771 2.098 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C1(C3CC3)CCOCC1)OCO2 ZINC000363793964 394885752 /nfs/dbraw/zinc/88/57/52/394885752.db2.gz AUKKVPAHOARGHM-UHFFFAOYSA-N 1 0 291.347 2.170 20 10 CECDRO Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2O)c1 ZINC000134227841 394957356 /nfs/dbraw/zinc/95/73/56/394957356.db2.gz ULHQEXISGQXJJU-HNNXBMFYSA-N 1 0 287.359 2.230 20 10 CECDRO COc1cccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c1O ZINC000282395575 394918885 /nfs/dbraw/zinc/91/88/85/394918885.db2.gz RJHXGEFLWXVUKS-WCQYABFASA-N 1 0 265.353 2.400 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000132013774 394924339 /nfs/dbraw/zinc/92/43/39/394924339.db2.gz BHLFPSZYPBMUPX-LBPRGKRZSA-N 1 0 251.326 2.012 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000373177300 395056039 /nfs/dbraw/zinc/05/60/39/395056039.db2.gz ORKIJDKAKQBHAQ-ZBFHGGJFSA-N 1 0 277.364 2.448 20 10 CECDRO CC[N@H+](CCC(=O)OC)Cc1cc(F)cc(C(C)=O)c1O ZINC000175612465 395133340 /nfs/dbraw/zinc/13/33/40/395133340.db2.gz LGZFVRYORBBAPN-UHFFFAOYSA-N 1 0 297.326 2.119 20 10 CECDRO CC1([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)OCCO1 ZINC000183239995 395254397 /nfs/dbraw/zinc/25/43/97/395254397.db2.gz CNZHFHDKOXGWLI-CQSZACIVSA-N 1 0 277.364 2.367 20 10 CECDRO CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296436050 395320471 /nfs/dbraw/zinc/32/04/71/395320471.db2.gz MITBVVJTRXGBIJ-KCQAQPDRSA-N 1 0 293.407 2.127 20 10 CECDRO C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1O ZINC000183549433 395259771 /nfs/dbraw/zinc/25/97/71/395259771.db2.gz BVFLYUICUUKWGM-AVGNSLFASA-N 1 0 265.353 2.237 20 10 CECDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297820726 395348768 /nfs/dbraw/zinc/34/87/68/395348768.db2.gz RJVSAKZQPUDJRQ-KCPJHIHWSA-N 1 0 272.392 2.452 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000529682982 395431098 /nfs/dbraw/zinc/43/10/98/395431098.db2.gz YITWVFRLXMLRSD-TYILLQQXSA-N 1 0 279.405 2.186 20 10 CECDRO COc1cccc(C[NH2+]C[C@H](c2ccco2)N(C)C)c1O ZINC000020122236 171003009 /nfs/dbraw/zinc/00/30/09/171003009.db2.gz JKYUSFLZHBGFFM-CYBMUJFWSA-N 1 0 290.363 2.386 20 10 CECDRO C[C@@H](C(=O)Nc1ccc(N)cc1)[NH+]1CCCCCC1 ZINC000022154974 171361669 /nfs/dbraw/zinc/36/16/69/171361669.db2.gz BRXKFGOMAPZCNV-LBPRGKRZSA-N 1 0 261.369 2.472 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(C)n2)c1 ZINC000038037358 174037502 /nfs/dbraw/zinc/03/75/02/174037502.db2.gz KKCZVCAHAYIZLU-SNVBAGLBSA-N 1 0 273.336 2.350 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H]2CCCOC2)c1O ZINC000038044035 174051460 /nfs/dbraw/zinc/05/14/60/174051460.db2.gz NJLQHGVQVBGWPW-GFCCVEGCSA-N 1 0 265.353 2.307 20 10 CECDRO CC[C@@H](COC)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000079737181 260177042 /nfs/dbraw/zinc/17/70/42/260177042.db2.gz OVESWIIWKJWISV-HNNXBMFYSA-N 1 0 278.396 2.038 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152374605 261063603 /nfs/dbraw/zinc/06/36/03/261063603.db2.gz ACAZJEKCNUEMNU-UKRRQHHQSA-N 1 0 289.423 2.414 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1 ZINC000153088448 261073085 /nfs/dbraw/zinc/07/30/85/261073085.db2.gz HGVYOCIHPALRCV-LSDHHAIUSA-N 1 0 290.407 2.210 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C1CC[NH2+]CC1 ZINC000156729926 261130543 /nfs/dbraw/zinc/13/05/43/261130543.db2.gz MDCBRAHOOLUSHF-UHFFFAOYSA-N 1 0 276.380 2.130 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1OC ZINC000159941761 261198978 /nfs/dbraw/zinc/19/89/78/261198978.db2.gz HADYJGIXBJWAIA-NSHDSACASA-N 1 0 295.379 2.409 20 10 CECDRO Cc1cc(C(=O)NCCC[NH3+])c(C)n1-c1ccccc1 ZINC000159980791 261201248 /nfs/dbraw/zinc/20/12/48/261201248.db2.gz QTCPSRXJIPTQMM-UHFFFAOYSA-N 1 0 271.364 2.173 20 10 CECDRO COCCOC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000180201216 261846324 /nfs/dbraw/zinc/84/63/24/261846324.db2.gz MLIAQCCWKLLUCR-UHFFFAOYSA-N 1 0 295.379 2.028 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000184888633 262032235 /nfs/dbraw/zinc/03/22/35/262032235.db2.gz OIYWPVJQBYNDKS-CYBMUJFWSA-N 1 0 276.380 2.364 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Cl)ccc1O ZINC000184982083 262035638 /nfs/dbraw/zinc/03/56/38/262035638.db2.gz MCLWOCXWDZAYEF-BXKDBHETSA-N 1 0 282.771 2.365 20 10 CECDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)CC2 ZINC000185318337 262050965 /nfs/dbraw/zinc/05/09/65/262050965.db2.gz XUBWENHTKWTETL-SKDRFNHKSA-N 1 0 290.342 2.097 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c(O)c1 ZINC000185333950 262051136 /nfs/dbraw/zinc/05/11/36/262051136.db2.gz SGNCDYRIPROOTM-CQSZACIVSA-N 1 0 292.423 2.462 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCSC2)c(O)c1 ZINC000185639096 262063457 /nfs/dbraw/zinc/06/34/57/262063457.db2.gz WKHGAAJWXDBJEL-SMDDNHRTSA-N 1 0 267.394 2.219 20 10 CECDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000185779546 262070635 /nfs/dbraw/zinc/07/06/35/262070635.db2.gz LZBHDRYPQZZJSA-CYBMUJFWSA-N 1 0 278.352 2.021 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000185788926 262070706 /nfs/dbraw/zinc/07/07/06/262070706.db2.gz PQJVQZARQCIGCA-CMPLNLGQSA-N 1 0 280.343 2.193 20 10 CECDRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000186088280 262079205 /nfs/dbraw/zinc/07/92/05/262079205.db2.gz XLGDHNIPKOQBBG-ONGXEEELSA-N 1 0 294.782 2.460 20 10 CECDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccccc2O)C1(C)C ZINC000186597678 262101307 /nfs/dbraw/zinc/10/13/07/262101307.db2.gz JFUAXCZFDKHORA-ZBFHGGJFSA-N 1 0 279.380 2.048 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000283833583 263084506 /nfs/dbraw/zinc/08/45/06/263084506.db2.gz FHNMSPNXJBXHKB-HOCLYGCPSA-N 1 0 294.439 2.000 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000292712597 263133948 /nfs/dbraw/zinc/13/39/48/263133948.db2.gz DLHRFMVKVZFOGG-AAEUAGOBSA-N 1 0 265.353 2.136 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000189341970 264291912 /nfs/dbraw/zinc/29/19/12/264291912.db2.gz SXURMZXJZGQVJH-SRVKXCTJSA-N 1 0 265.353 2.212 20 10 CECDRO COc1ccc(O)c(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c1 ZINC000282127232 264496592 /nfs/dbraw/zinc/49/65/92/264496592.db2.gz BDVRIPFMPWNPSO-BXUZGUMPSA-N 1 0 265.353 2.400 20 10 CECDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000368037160 267138991 /nfs/dbraw/zinc/13/89/91/267138991.db2.gz MEAYQNXHPALZMD-BZNIZROVSA-N 1 0 277.364 2.309 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000368886413 267212129 /nfs/dbraw/zinc/21/21/29/267212129.db2.gz CKJAXNXRBMXJBO-HNNXBMFYSA-N 1 0 263.337 2.012 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000369683486 267259321 /nfs/dbraw/zinc/25/93/21/267259321.db2.gz LXRMJUXPSZPRKJ-INIZCTEOSA-N 1 0 277.364 2.138 20 10 CECDRO CCOc1ccc(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000371418692 267403378 /nfs/dbraw/zinc/40/33/78/267403378.db2.gz FBNIOYFTUNVJDJ-OAHLLOKOSA-N 1 0 290.407 2.461 20 10 CECDRO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000269056274 278222864 /nfs/dbraw/zinc/22/28/64/278222864.db2.gz WUQBDPZFDWTDLT-CHWSQXEVSA-N 1 0 273.384 2.083 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1ccccc1O ZINC000188487514 288057461 /nfs/dbraw/zinc/05/74/61/288057461.db2.gz JPRWAYBNVUQSBQ-AAEUAGOBSA-N 1 0 264.369 2.300 20 10 CECDRO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000275321158 279373720 /nfs/dbraw/zinc/37/37/20/279373720.db2.gz SIQHJYGTSMJPQV-NSPYISDASA-N 1 0 286.416 2.091 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CCO)c1 ZINC000097440111 295167242 /nfs/dbraw/zinc/16/72/42/295167242.db2.gz NXGAXIUNOODUCV-GHMZBOCLSA-N 1 0 253.342 2.070 20 10 CECDRO CCOc1cccc(C[NH2+]CC23CC(C2)CO3)c1O ZINC000527790151 313202378 /nfs/dbraw/zinc/20/23/78/313202378.db2.gz SETIFSUSHKBXFM-UHFFFAOYSA-N 1 0 263.337 2.060 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000279675435 328233226 /nfs/dbraw/zinc/23/32/26/328233226.db2.gz IIAVRRUCGCUZOK-HNNXBMFYSA-N 1 0 262.397 2.393 20 10 CECDRO COC[C@H](CO)[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000280983274 328237739 /nfs/dbraw/zinc/23/77/39/328237739.db2.gz MFIWOEIPVSJMJC-HOCLYGCPSA-N 1 0 292.423 2.335 20 10 CECDRO Oc1cccc(Cl)c1CN1CCOC[C@H]1[C@H]1CCCO1 ZINC000377709674 329026430 /nfs/dbraw/zinc/02/64/30/329026430.db2.gz ZGDGDKWTMBQIAX-DZGCQCFKSA-N 1 0 297.782 2.425 20 10 CECDRO COCCC[N@@H+]1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000378501297 329053303 /nfs/dbraw/zinc/05/33/03/329053303.db2.gz YGTWDIMOJJPFIE-UHFFFAOYSA-N 1 0 296.386 2.076 20 10 CECDRO COc1ccc(O)c(C[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000360055686 329070883 /nfs/dbraw/zinc/07/08/83/329070883.db2.gz DPRILIICSZYPNK-UHFFFAOYSA-N 1 0 299.370 2.020 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccccc1O ZINC000183618735 329251251 /nfs/dbraw/zinc/25/12/51/329251251.db2.gz VPSKQOYSNMYJQB-ZYHUDNBSSA-N 1 0 257.337 2.323 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188571667 329369985 /nfs/dbraw/zinc/36/99/85/329369985.db2.gz WCGCXCASASNFOC-YRGRVCCFSA-N 1 0 251.301 2.188 20 10 CECDRO C[C@H]([NH2+]CC12CC(C1)CO2)c1cc(F)ccc1O ZINC000527984118 330298645 /nfs/dbraw/zinc/29/86/45/330298645.db2.gz WNCNBIHQOATKBZ-IPWFMCSPSA-N 1 0 251.301 2.361 20 10 CECDRO COc1ccc(CN[C@H]2CC[NH2+]C23CCC3)cc1C ZINC000530177591 333527033 /nfs/dbraw/zinc/52/70/33/333527033.db2.gz KQYTYQRTVTYHNJ-HNNXBMFYSA-N 1 0 260.381 2.378 20 10 CECDRO CCOc1cccc(CN2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000245928280 334224499 /nfs/dbraw/zinc/22/44/99/334224499.db2.gz OYTQYSQNKXJAOH-AWEZNQCLSA-N 1 0 276.380 2.071 20 10 CECDRO CC(C)(CCCO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000221402828 519211833 /nfs/dbraw/zinc/21/18/33/519211833.db2.gz ZNAFZBBSGZJQDG-UHFFFAOYSA-N 1 0 281.352 2.009 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1OC ZINC000274846217 520368650 /nfs/dbraw/zinc/36/86/50/520368650.db2.gz AGZSXSAASOBENG-BMFZPTHFSA-N 1 0 279.380 2.286 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000126447471 521138830 /nfs/dbraw/zinc/13/88/30/521138830.db2.gz ZJTGLHMHZCSTSR-DZGCQCFKSA-N 1 0 289.423 2.414 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)CCCCCO)c1 ZINC000279485796 521140976 /nfs/dbraw/zinc/14/09/76/521140976.db2.gz UJSVBFQNVOOWON-UHFFFAOYSA-N 1 0 267.369 2.385 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1 ZINC000293001622 521152659 /nfs/dbraw/zinc/15/26/59/521152659.db2.gz NBNXEQPXOYDBPE-LRDDRELGSA-N 1 0 279.380 2.432 20 10 CECDRO CCOc1cccc(CN(C)CC[N@H+](C)C2CC2)c1O ZINC000290339942 521330755 /nfs/dbraw/zinc/33/07/55/521330755.db2.gz FIKJNXVLGLKOEH-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000278428576 521652494 /nfs/dbraw/zinc/65/24/94/521652494.db2.gz JEIXPBITXKTZNR-IGEOTXOUSA-N 1 0 292.423 2.333 20 10 CECDRO COC[C@@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000265447127 522420826 /nfs/dbraw/zinc/42/08/26/522420826.db2.gz VYIBMNSXAMCBMK-INIZCTEOSA-N 1 0 287.359 2.156 20 10 CECDRO CC[C@H]([NH2+]CCc1nc(C)no1)c1ccccc1O ZINC000156480819 522603377 /nfs/dbraw/zinc/60/33/77/522603377.db2.gz OONYHMRNGNMUOE-LBPRGKRZSA-N 1 0 261.325 2.367 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccccc1O ZINC000280782330 522610839 /nfs/dbraw/zinc/61/08/39/522610839.db2.gz GYJRYSCZWOUNOD-YDHLFZDLSA-N 1 0 279.380 2.078 20 10 CECDRO CC[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccccc1O ZINC000280782327 522626984 /nfs/dbraw/zinc/62/69/84/522626984.db2.gz GYJRYSCZWOUNOD-NFAWXSAZSA-N 1 0 279.380 2.078 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(C)cc1O ZINC000280260118 522635367 /nfs/dbraw/zinc/63/53/67/522635367.db2.gz XDISGEQJXYBMPD-OCCSQVGLSA-N 1 0 297.420 2.176 20 10 CECDRO COC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)[C@H]1CCCO1 ZINC000278620808 522759301 /nfs/dbraw/zinc/75/93/01/522759301.db2.gz CFVMYACKCUKUTE-VZJVUDMVSA-N 1 0 283.343 2.376 20 10 CECDRO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000274896525 523788160 /nfs/dbraw/zinc/78/81/60/523788160.db2.gz GAQCAXXALIPWGW-OCCSQVGLSA-N 1 0 277.364 2.474 20 10 CECDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000289518580 524070048 /nfs/dbraw/zinc/07/00/48/524070048.db2.gz HBAYKDMENCZNLE-AWEZNQCLSA-N 1 0 276.380 2.273 20 10 CECDRO Cc1cc(C)n(CC[N@@H+](C)Cc2ccccc2O)n1 ZINC000264618806 524526934 /nfs/dbraw/zinc/52/69/34/524526934.db2.gz QKARGGXYNPJVRU-UHFFFAOYSA-N 1 0 259.353 2.338 20 10 CECDRO Cc1ccc(C[NH2+]Cc2c(O)cccc2Cl)c(=O)n1C ZINC000278766921 524583913 /nfs/dbraw/zinc/58/39/13/524583913.db2.gz OIKZWSSKSOKFFM-UHFFFAOYSA-N 1 0 292.766 2.343 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cccnc2OC)c1 ZINC000037650341 524753802 /nfs/dbraw/zinc/75/38/02/524753802.db2.gz BUMMKNGZLORULI-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO COc1ccncc1C[NH2+]Cc1cc(C)ccc1O ZINC000292624393 524855492 /nfs/dbraw/zinc/85/54/92/524855492.db2.gz IZSMFRXBVVVSPH-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000289577766 525132060 /nfs/dbraw/zinc/13/20/60/525132060.db2.gz JUQFGTWXFJHZKC-GHMZBOCLSA-N 1 0 253.317 2.294 20 10 CECDRO C[C@H]([NH2+]CCN1CCSCC1)c1ccc(N(C)C)cc1 ZINC000223464598 525355645 /nfs/dbraw/zinc/35/56/45/525355645.db2.gz HRQNFVWCDLWEPN-AWEZNQCLSA-N 1 0 293.480 2.452 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)(C)n1cncn1 ZINC000284125144 525444464 /nfs/dbraw/zinc/44/44/64/525444464.db2.gz NWZSPTIXQIALOL-ZDUSSCGKSA-N 1 0 287.411 2.258 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)NC(C)(C)C ZINC000071122540 525526030 /nfs/dbraw/zinc/52/60/30/525526030.db2.gz WSWFBDZPZWHXHK-GFCCVEGCSA-N 1 0 277.412 2.145 20 10 CECDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000280471514 525839112 /nfs/dbraw/zinc/83/91/12/525839112.db2.gz NBTIDOCMEVDNAZ-DGCLKSJQSA-N 1 0 293.363 2.246 20 10 CECDRO COc1cccc(CN2CCC([NH+]3CCCC3)CC2)c1O ZINC000127750396 525933248 /nfs/dbraw/zinc/93/32/48/525933248.db2.gz BWHKCXTUEHXASV-UHFFFAOYSA-N 1 0 290.407 2.461 20 10 CECDRO COc1cccc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1O ZINC000289698702 525956668 /nfs/dbraw/zinc/95/66/68/525956668.db2.gz OLWJJLGCBULLNZ-DZGCQCFKSA-N 1 0 290.407 2.459 20 10 CECDRO Oc1ccccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000374258070 526372818 /nfs/dbraw/zinc/37/28/18/526372818.db2.gz IDFOHJFEMVCYHF-HNNXBMFYSA-N 1 0 260.381 2.452 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000729523908 574489142 /nfs/dbraw/zinc/48/91/42/574489142.db2.gz XZEFFXHQENZZQV-HNNXBMFYSA-N 1 0 289.423 2.101 20 10 CECDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccccc2O)CC1 ZINC000730817698 574578693 /nfs/dbraw/zinc/57/86/93/574578693.db2.gz RWGPXOSUGWFXRW-UHFFFAOYSA-N 1 0 292.423 2.371 20 10 CECDRO C[N@H+](CCNC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000732270809 574616906 /nfs/dbraw/zinc/61/69/06/574616906.db2.gz TWZCTNSVMNMYBI-UHFFFAOYSA-N 1 0 282.409 2.448 20 10 CECDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1=CC(=O)CS1 ZINC000733365952 574666344 /nfs/dbraw/zinc/66/63/44/574666344.db2.gz VMTODOOJRYJBHP-LLVKDONJSA-N 1 0 282.409 2.448 20 10 CECDRO C[C@@H](CCNC(=O)C1=CC(=O)CS1)[NH+]1CCCCC1 ZINC000753520019 574826271 /nfs/dbraw/zinc/82/62/71/574826271.db2.gz DOLHUFHSVKJBLU-NSHDSACASA-N 1 0 282.409 2.448 20 10 CECDRO OCCOCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000739916418 574936255 /nfs/dbraw/zinc/93/62/55/574936255.db2.gz XQNCNTJYEPSAGK-UHFFFAOYSA-N 1 0 279.380 2.146 20 10 CECDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000743474196 575104844 /nfs/dbraw/zinc/10/48/44/575104844.db2.gz RJTCWQMLXODVLG-KGLIPLIRSA-N 1 0 278.396 2.209 20 10 CECDRO Cn1cc(/C=C\C(=O)N(CC[NH+](C)C)c2ccccc2)cn1 ZINC000746278653 575153578 /nfs/dbraw/zinc/15/35/78/575153578.db2.gz PCUGKKHMUXMSDG-KTKRTIGZSA-N 1 0 298.390 2.028 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[NH+](C)C)cc1F ZINC000750196583 575254189 /nfs/dbraw/zinc/25/41/89/575254189.db2.gz VKFVWEQMMQXBAU-LBPRGKRZSA-N 1 0 295.402 2.238 20 10 CECDRO C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[NH+](C)C ZINC000750602262 575270365 /nfs/dbraw/zinc/27/03/65/575270365.db2.gz GYFHSDQAUAMVSA-ZDUSSCGKSA-N 1 0 289.423 2.194 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000752124103 575305737 /nfs/dbraw/zinc/30/57/37/575305737.db2.gz IUEMGQHQLZWQSS-SFHVURJKSA-N 1 0 299.370 2.324 20 10 CECDRO CCNC(=O)C1(C[NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC000752930519 575316543 /nfs/dbraw/zinc/31/65/43/575316543.db2.gz JCBLAJDCUUPVHX-UHFFFAOYSA-N 1 0 290.407 2.400 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](C)N(C(C)=O)C2)cc1C ZINC000980276916 617258244 /nfs/dbraw/zinc/25/82/44/617258244.db2.gz YSSRCMMPMXLMMD-CZUORRHYSA-N 1 0 290.407 2.350 20 10 CECDRO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179577915 625574332 /nfs/dbraw/zinc/57/43/32/625574332.db2.gz LLDDAKIYIXEIQG-ZDUSSCGKSA-N 1 0 263.337 2.308 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CCC([NH3+])CC2)c1O ZINC000050158321 623324997 /nfs/dbraw/zinc/32/49/97/623324997.db2.gz SXJRHNFPPSZJEB-UHFFFAOYSA-N 1 0 282.771 2.171 20 10 CECDRO CN(Cc1cc(F)ccc1O)C[C@@H]1CCC[N@@H+]1C ZINC000234313734 623641931 /nfs/dbraw/zinc/64/19/31/623641931.db2.gz CQZTUJKXGJSAKP-ZDUSSCGKSA-N 1 0 252.333 2.057 20 10 CECDRO CCOCCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866482 623910102 /nfs/dbraw/zinc/91/01/02/623910102.db2.gz SJHLPDJYJGQRLC-UHFFFAOYSA-N 1 0 296.386 2.383 20 10 CECDRO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](C)c1ccccc1O ZINC000892039315 624269446 /nfs/dbraw/zinc/26/94/46/624269446.db2.gz AHQWKVICXRSVOT-RYUDHWBXSA-N 1 0 279.384 2.270 20 10 CECDRO Cc1cc(N)nc(NCc2ccc(N(C)C)c(F)c2)[nH+]1 ZINC000892131314 624341210 /nfs/dbraw/zinc/34/12/10/624341210.db2.gz GNSXZAMWCGBEKN-UHFFFAOYSA-N 1 0 275.331 2.184 20 10 CECDRO CN(Cc1ccccc1O)C(=O)C12CCC[NH+](CCC1)C2 ZINC000820877614 634558872 /nfs/dbraw/zinc/55/88/72/634558872.db2.gz CILWMYABVHGMLF-UHFFFAOYSA-N 1 0 288.391 2.227 20 10 CECDRO C[C@H](CC[NH2+][C@H]1CCc2cccc(O)c21)[S@@](C)=O ZINC000311044810 627357475 /nfs/dbraw/zinc/35/74/75/627357475.db2.gz HDAOXAYXFHDZQA-GDAOTKPNSA-N 1 0 267.394 2.126 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](CO)CC2)c1O ZINC000293167095 627388907 /nfs/dbraw/zinc/38/89/07/627388907.db2.gz OZKJILWVHKCJAA-GFCCVEGCSA-N 1 0 295.354 2.328 20 10 CECDRO COc1ccc(C[NH2+]Cc2scnc2C)c(O)c1OC ZINC000892919675 627852431 /nfs/dbraw/zinc/85/24/31/627852431.db2.gz CETCDPHPUMIIDK-UHFFFAOYSA-N 1 0 294.376 2.464 20 10 CECDRO COc1ccc(C[NH2+]C2CCC(C)(O)CC2)c(O)c1OC ZINC000893097784 627999409 /nfs/dbraw/zinc/99/94/09/627999409.db2.gz WHMLFFLRFKMGTK-UHFFFAOYSA-N 1 0 295.379 2.193 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCC2(OC)CCC2)c1 ZINC000312035318 628064546 /nfs/dbraw/zinc/06/45/46/628064546.db2.gz OUEVLNLAAQNXFA-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1ccc(C[NH2+][C@H](CO)CC(C)(C)C)c(O)c1OC ZINC000893202802 628125909 /nfs/dbraw/zinc/12/59/09/628125909.db2.gz OGSMIGXGXOSCQJ-LBPRGKRZSA-N 1 0 297.395 2.296 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188831490 628297247 /nfs/dbraw/zinc/29/72/47/628297247.db2.gz KYQGWEAAYZBLKK-JOYOIKCWSA-N 1 0 255.745 2.296 20 10 CECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840916048 628484043 /nfs/dbraw/zinc/48/40/43/628484043.db2.gz DTRDNSWXVXEYRW-KRWDZBQOSA-N 1 0 290.407 2.446 20 10 CECDRO COc1ccc(C[NH2+]Cc2cnccc2C)c(O)c1 ZINC000162702936 628490556 /nfs/dbraw/zinc/49/05/56/628490556.db2.gz VEJSZYFIKIHAMD-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO COCC[C@@H](COC)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000313168018 628582610 /nfs/dbraw/zinc/58/26/10/628582610.db2.gz IUEUIXYZUZUHMK-NEPJUHHUSA-N 1 0 283.368 2.103 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)CCO ZINC000840935635 628752487 /nfs/dbraw/zinc/75/24/87/628752487.db2.gz WTOJBNCRGDANKH-LBPRGKRZSA-N 1 0 250.386 2.169 20 10 CECDRO COc1cc(C)cc(C[NH+]2CCC(CCO)CC2)c1O ZINC000893921416 629046170 /nfs/dbraw/zinc/04/61/70/629046170.db2.gz LTMNHDNSIITBEF-UHFFFAOYSA-N 1 0 279.380 2.304 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)CCO1 ZINC000178849117 629186027 /nfs/dbraw/zinc/18/60/27/629186027.db2.gz JRBCSJTZQUPHRE-ZDUSSCGKSA-N 1 0 265.353 2.320 20 10 CECDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894250051 629256722 /nfs/dbraw/zinc/25/67/22/629256722.db2.gz CZKBWGALAGSRLS-DGCLKSJQSA-N 1 0 267.369 2.206 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(C)cc1O ZINC000794808342 629326360 /nfs/dbraw/zinc/32/63/60/629326360.db2.gz ABCLMZIZJQSCCJ-CQSZACIVSA-N 1 0 299.374 2.435 20 10 CECDRO CC[C@@H]([NH2+]CCCn1cncn1)c1ccc(C)cc1O ZINC000794816149 629328402 /nfs/dbraw/zinc/32/84/02/629328402.db2.gz XCBKVYYPQKKCLE-CQSZACIVSA-N 1 0 274.368 2.423 20 10 CECDRO CC[C@H]([NH2+][C@H](C)[C@H]1CN(C)CCO1)c1ccc(C)cc1O ZINC000794819443 629328507 /nfs/dbraw/zinc/32/85/07/629328507.db2.gz WQBKLVZLNWDXLY-UKPHBRMFSA-N 1 0 292.423 2.460 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1O ZINC000894313003 629343683 /nfs/dbraw/zinc/34/36/83/629343683.db2.gz QCUGOQAKEVVCED-TZMCWYRMSA-N 1 0 278.396 2.282 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@]2(C)CCO[C@H]2C)c1O ZINC000894443979 629464888 /nfs/dbraw/zinc/46/48/88/629464888.db2.gz JQQKQKXVXYETFV-XHDPSFHLSA-N 1 0 265.353 2.366 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC[C@@H]2CCOC2)c1O ZINC000894444866 629465044 /nfs/dbraw/zinc/46/50/44/629465044.db2.gz JDZBQYLSZUNPET-GFCCVEGCSA-N 1 0 265.353 2.225 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1O ZINC000894443978 629465159 /nfs/dbraw/zinc/46/51/59/629465159.db2.gz JQQKQKXVXYETFV-NHYWBVRUSA-N 1 0 265.353 2.366 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)c1O ZINC000894487279 629488943 /nfs/dbraw/zinc/48/89/43/629488943.db2.gz HTUSTQLWBBVADF-STQMWFEESA-N 1 0 278.396 2.234 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)COC(C)=O)c1 ZINC000894502807 629498451 /nfs/dbraw/zinc/49/84/51/629498451.db2.gz UJLPJWJAZIJHLN-UWVGGRQHSA-N 1 0 267.325 2.003 20 10 CECDRO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C[C@H](C)OC ZINC000894577249 629541841 /nfs/dbraw/zinc/54/18/41/629541841.db2.gz UNYSOJMBOSNZHH-NSHDSACASA-N 1 0 283.368 2.266 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)C(C)(C)O ZINC000894631663 629566639 /nfs/dbraw/zinc/56/66/39/629566639.db2.gz NMFNTIXCTJMRPJ-GFCCVEGCSA-N 1 0 283.368 2.049 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1O ZINC000894783024 629640583 /nfs/dbraw/zinc/64/05/83/629640583.db2.gz PGQHMPMGMBHOGV-HIFRSBDPSA-N 1 0 292.423 2.481 20 10 CECDRO COc1ccc(C[NH+]2CC3(C2)CCCOC3)c(O)c1OC ZINC000894827858 629664632 /nfs/dbraw/zinc/66/46/32/629664632.db2.gz IFRFVELUVCYHFP-UHFFFAOYSA-N 1 0 293.363 2.022 20 10 CECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000894846626 629685269 /nfs/dbraw/zinc/68/52/69/629685269.db2.gz SMTCJUANUBYZRY-TXEJJXNPSA-N 1 0 281.352 2.067 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1O ZINC000894865128 629703716 /nfs/dbraw/zinc/70/37/16/629703716.db2.gz MRJNXHJMXKNKFD-BLLLJJGKSA-N 1 0 279.380 2.350 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC[C@@H](C)CCO)c1O ZINC000894870536 629707900 /nfs/dbraw/zinc/70/79/00/629707900.db2.gz MMSVQQSCLCQFSQ-LLVKDONJSA-N 1 0 267.369 2.207 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](C)CCCCO)c1O ZINC000894881761 629715950 /nfs/dbraw/zinc/71/59/50/629715950.db2.gz GALYFSJRSUVCHY-GFCCVEGCSA-N 1 0 267.369 2.350 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[NH+]1CC2(C1)CCCOC2 ZINC000894975493 629777171 /nfs/dbraw/zinc/77/71/71/629777171.db2.gz APNSQCYWGQIFED-UHFFFAOYSA-N 1 0 269.291 2.283 20 10 CECDRO Cc1nnc([C@@H]2CC[N@H+](Cc3c(C)cccc3O)C2)[nH]1 ZINC000895011325 629794236 /nfs/dbraw/zinc/79/42/36/629794236.db2.gz DDXIYRWJDVRGCQ-GFCCVEGCSA-N 1 0 272.352 2.117 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c1O ZINC000895012015 629794593 /nfs/dbraw/zinc/79/45/93/629794593.db2.gz JGMZUXBOIQHIRF-CQSZACIVSA-N 1 0 286.379 2.371 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000895155045 629970375 /nfs/dbraw/zinc/97/03/75/629970375.db2.gz BYCXXYFYFXXXRX-UHFFFAOYSA-N 1 0 293.754 2.062 20 10 CECDRO COc1cc(C)cc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1O ZINC000895259811 630066344 /nfs/dbraw/zinc/06/63/44/630066344.db2.gz NJMKUFOLYKLGJM-RYUDHWBXSA-N 1 0 279.380 2.158 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)C2(CO)CCC2)c1O ZINC000895357084 630137103 /nfs/dbraw/zinc/13/71/03/630137103.db2.gz IFDHEORBZXVKNQ-UHFFFAOYSA-N 1 0 265.353 2.056 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(O)c1OC ZINC000895432932 630182213 /nfs/dbraw/zinc/18/22/13/630182213.db2.gz GEJCADJJLVEOJE-ZYHUDNBSSA-N 1 0 263.337 2.251 20 10 CECDRO COc1ccc(C[NH2+]CC2CCC(O)CC2)c(O)c1OC ZINC000895438922 630190361 /nfs/dbraw/zinc/19/03/61/630190361.db2.gz UCFRJFXMQWPKOH-UHFFFAOYSA-N 1 0 295.379 2.050 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1O ZINC000895441159 630192569 /nfs/dbraw/zinc/19/25/69/630192569.db2.gz YBQKFYSEDDVSIZ-NQBHXWOUSA-N 1 0 265.353 2.365 20 10 CECDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000895459733 630202497 /nfs/dbraw/zinc/20/24/97/630202497.db2.gz HNBOMDFUJUJMDN-SRVKXCTJSA-N 1 0 263.337 2.385 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)C2(O)CCOCC2)c1 ZINC000841891195 630216501 /nfs/dbraw/zinc/21/65/01/630216501.db2.gz VVGKDQCBRRBPPO-UHFFFAOYSA-N 1 0 293.407 2.358 20 10 CECDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841299617 630217608 /nfs/dbraw/zinc/21/76/08/630217608.db2.gz LNDKCTQRFHWYGR-DOMZBBRYSA-N 1 0 288.395 2.359 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCc2ncncc2C1 ZINC000895723983 630316484 /nfs/dbraw/zinc/31/64/84/630316484.db2.gz LAOCBFJPXBZNAJ-UHFFFAOYSA-N 1 0 255.321 2.049 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000895749436 630324082 /nfs/dbraw/zinc/32/40/82/630324082.db2.gz QZPCZWFNOINWKT-RDJZCZTQSA-N 1 0 292.423 2.081 20 10 CECDRO COC(OC)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000895790569 630346063 /nfs/dbraw/zinc/34/60/63/630346063.db2.gz SCVFFFYZPJJBEQ-LBPRGKRZSA-N 1 0 266.385 2.158 20 10 CECDRO COC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000895842488 630366690 /nfs/dbraw/zinc/36/66/90/630366690.db2.gz FUJAOAQYPIMETG-NSHDSACASA-N 1 0 298.770 2.284 20 10 CECDRO COCC1C[NH+](Cc2c(O)cccc2Br)C1 ZINC000895974581 630425208 /nfs/dbraw/zinc/42/52/08/630425208.db2.gz HOWKCXRZQJXYSD-UHFFFAOYSA-N 1 0 286.169 2.233 20 10 CECDRO CN(C)c1ccnc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000896299264 630522411 /nfs/dbraw/zinc/52/24/11/630522411.db2.gz YGFYKFHURIRYJX-UHFFFAOYSA-N 1 0 275.327 2.282 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000896304341 630523103 /nfs/dbraw/zinc/52/31/03/630523103.db2.gz HULBCXNOWUANBF-CQSZACIVSA-N 1 0 289.423 2.019 20 10 CECDRO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1C ZINC000896471922 630569977 /nfs/dbraw/zinc/56/99/77/630569977.db2.gz HRANZIQUIKUOAF-DGCLKSJQSA-N 1 0 263.337 2.023 20 10 CECDRO C[C@@]1(C2CC[NH+](Cc3ccccc3O)CC2)COC(=O)N1 ZINC000896457624 630570990 /nfs/dbraw/zinc/57/09/90/630570990.db2.gz DACQEQQQUOPORJ-INIZCTEOSA-N 1 0 290.363 2.103 20 10 CECDRO COc1cc(C[NH2+]Cc2c([O-])cccc2F)sn1 ZINC000896637156 630620810 /nfs/dbraw/zinc/62/08/10/630620810.db2.gz IEZDMFOZBCXXNQ-UHFFFAOYSA-N 1 0 268.313 2.286 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000896921520 630810066 /nfs/dbraw/zinc/81/00/66/630810066.db2.gz ROVZLPPOXIEHMH-AWEZNQCLSA-N 1 0 295.354 2.349 20 10 CECDRO C[C@H](O)CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000798195253 630834209 /nfs/dbraw/zinc/83/42/09/630834209.db2.gz DMIRFVZAVIGFBK-ZFWWWQNUSA-N 1 0 279.380 2.144 20 10 CECDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@H](C)O ZINC000824922254 635526397 /nfs/dbraw/zinc/52/63/97/635526397.db2.gz YPRDBVRBXJORLU-GUYCJALGSA-N 1 0 292.423 2.413 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1O ZINC000305734065 631117916 /nfs/dbraw/zinc/11/79/16/631117916.db2.gz LHQDZGHAOQVYSU-AWEZNQCLSA-N 1 0 295.354 2.469 20 10 CECDRO COC[C@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000079498136 631178125 /nfs/dbraw/zinc/17/81/25/631178125.db2.gz QRTNQHQQEIWSTI-CYBMUJFWSA-N 1 0 281.327 2.345 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCN(C(C)=O)[C@H]2C)cc1C ZINC000985871095 631191622 /nfs/dbraw/zinc/19/16/22/631191622.db2.gz NQKAQSJAVKYXJJ-WFASDCNBSA-N 1 0 276.380 2.103 20 10 CECDRO C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(Cl)cc1O ZINC000841752909 631733587 /nfs/dbraw/zinc/73/35/87/631733587.db2.gz CUWLRGMNJSNQPS-LLVKDONJSA-N 1 0 298.814 2.153 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CCSC)C(=O)NC)c1ccccc1O ZINC000806664066 631764277 /nfs/dbraw/zinc/76/42/77/631764277.db2.gz ZGMVMCZOIBUHFY-OLZOCXBDSA-N 1 0 296.436 2.301 20 10 CECDRO CCOCc1cc(CNC[C@H]2CCCC[NH2+]2)ccc1OC ZINC000841032520 631819287 /nfs/dbraw/zinc/81/92/87/631819287.db2.gz FZSDGXQXNYBBBM-MRXNPFEDSA-N 1 0 292.423 2.463 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)cc1Cl ZINC000897680654 631864933 /nfs/dbraw/zinc/86/49/33/631864933.db2.gz UTVIYQJQEWXDMK-RNCFNFMXSA-N 1 0 255.745 2.167 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1O ZINC000897813260 631911304 /nfs/dbraw/zinc/91/13/04/631911304.db2.gz JCJFHHAFMGYUBD-AQRJEWBLSA-N 1 0 259.349 2.220 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H](C3CC3)C1)[C@@H](O)CO2 ZINC000808230836 631938725 /nfs/dbraw/zinc/93/87/25/631938725.db2.gz RBAQYQOZOGFQKZ-LRDDRELGSA-N 1 0 289.375 2.440 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC23CCOCC3)cc1C ZINC000898114684 632055685 /nfs/dbraw/zinc/05/56/85/632055685.db2.gz AERCYQAUTBJITO-MRXNPFEDSA-N 1 0 291.391 2.437 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898206085 632086727 /nfs/dbraw/zinc/08/67/27/632086727.db2.gz LMNGJEJPEMKWCF-ZDUSSCGKSA-N 1 0 255.745 2.296 20 10 CECDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000840179321 632093790 /nfs/dbraw/zinc/09/37/90/632093790.db2.gz ALEDMKATFAEJNE-HZMBPMFUSA-N 1 0 277.364 2.438 20 10 CECDRO CC[N@@H+]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 ZINC000809698278 632129668 /nfs/dbraw/zinc/12/96/68/632129668.db2.gz XPEDWBKBSWGMRM-CYBMUJFWSA-N 1 0 279.403 2.418 20 10 CECDRO CCN(CCC[NH+](C)C)Cc1c(O)cccc1OC ZINC000809749998 632139839 /nfs/dbraw/zinc/13/98/39/632139839.db2.gz OMZDHOKSIRQMLF-UHFFFAOYSA-N 1 0 266.385 2.174 20 10 CECDRO Cc1ccc(O)c(C[N@H+](C)C[C@@H](O)C(F)(F)F)c1 ZINC000809751313 632140679 /nfs/dbraw/zinc/14/06/79/632140679.db2.gz QQHALNBTAUDJBU-LLVKDONJSA-N 1 0 263.259 2.056 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c1O ZINC000898376516 632188642 /nfs/dbraw/zinc/18/86/42/632188642.db2.gz MGZSTGIOYMADCE-HUUCEWRRSA-N 1 0 261.365 2.469 20 10 CECDRO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000040672935 632346617 /nfs/dbraw/zinc/34/66/17/632346617.db2.gz TVMBHJSPIVCMOT-ZFWWWQNUSA-N 1 0 261.413 2.497 20 10 CECDRO CCON1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000323411185 632346824 /nfs/dbraw/zinc/34/68/24/632346824.db2.gz WEVJMGDUBMXQMG-UHFFFAOYSA-N 1 0 277.412 2.258 20 10 CECDRO CCO[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)CN(C)C ZINC000926959247 632386467 /nfs/dbraw/zinc/38/64/67/632386467.db2.gz AOUJNJBYVSBQHB-WMLDXEAASA-N 1 0 293.455 2.370 20 10 CECDRO C[C@H]1[NH2+]CCC[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000841065021 632396683 /nfs/dbraw/zinc/39/66/83/632396683.db2.gz LGTATRYFPZOMNF-BXUZGUMPSA-N 1 0 265.376 2.122 20 10 CECDRO CO[C@H](C)[C@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448424 632498247 /nfs/dbraw/zinc/49/82/47/632498247.db2.gz RVOSLMKLBUMJJZ-VBQJREDUSA-N 1 0 293.455 2.368 20 10 CECDRO CC[C@H](COC)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450674 632500196 /nfs/dbraw/zinc/50/01/96/632500196.db2.gz SONNWIGHKWZNAZ-WBVHZDCISA-N 1 0 293.455 2.370 20 10 CECDRO COCC[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000812299372 632505867 /nfs/dbraw/zinc/50/58/67/632505867.db2.gz IREWSVIDIIICRC-MRXNPFEDSA-N 1 0 291.391 2.118 20 10 CECDRO OC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCC1(F)F ZINC000812775023 632575584 /nfs/dbraw/zinc/57/55/84/632575584.db2.gz CLGDLQIVPRKZRR-JTQLQIEISA-N 1 0 291.725 2.495 20 10 CECDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000812779307 632576220 /nfs/dbraw/zinc/57/62/20/632576220.db2.gz LROCMCLLFXHMGL-LBPRGKRZSA-N 1 0 255.745 2.391 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1F ZINC000814173539 632799468 /nfs/dbraw/zinc/79/94/68/632799468.db2.gz MRFYJYZRANIRLK-CJNGLKHVSA-N 1 0 277.387 2.028 20 10 CECDRO Cc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)ccc1N(C)C ZINC000815037331 632951001 /nfs/dbraw/zinc/95/10/01/632951001.db2.gz IAHLZBTUZUFCLK-HIFRSBDPSA-N 1 0 289.423 2.147 20 10 CECDRO Cc1cc(C[N@H+](CCCO)C2CC2)ccc1N(C)C ZINC000815050984 632951923 /nfs/dbraw/zinc/95/19/23/632951923.db2.gz HWCNIFCSSDUSSM-UHFFFAOYSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(C[N@H+](C)C[C@H](O)C2CC2)ccc1N(C)C ZINC000815060822 632953370 /nfs/dbraw/zinc/95/33/70/632953370.db2.gz UNFHQWNDMFWCMO-INIZCTEOSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)ccc1N(C)C ZINC000815096663 632958057 /nfs/dbraw/zinc/95/80/57/632958057.db2.gz UIZKBPIGNZDNQQ-XJKSGUPXSA-N 1 0 262.397 2.264 20 10 CECDRO COC1(CO)CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815102261 632959678 /nfs/dbraw/zinc/95/96/78/632959678.db2.gz GRGGIWBWJBMUAK-UHFFFAOYSA-N 1 0 292.423 2.034 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)cc1 ZINC000815106423 632960582 /nfs/dbraw/zinc/96/05/82/632960582.db2.gz ULNGXPYDTAFYEG-YOEHRIQHSA-N 1 0 292.423 2.114 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1 ZINC000815118162 632962106 /nfs/dbraw/zinc/96/21/06/632962106.db2.gz GCDDADJUQCLODK-OAHLLOKOSA-N 1 0 262.397 2.488 20 10 CECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cc[nH]c(=O)c1 ZINC000815148477 632972871 /nfs/dbraw/zinc/97/28/71/632972871.db2.gz XDKCYSTYUNOGKJ-SECBINFHSA-N 1 0 288.303 2.072 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H](OC)C2CC2)c(O)c1 ZINC000815152967 632973228 /nfs/dbraw/zinc/97/32/28/632973228.db2.gz CPMMNHGFSUYFEA-OAHLLOKOSA-N 1 0 265.353 2.306 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c(O)c1 ZINC000816665487 633459636 /nfs/dbraw/zinc/45/96/36/633459636.db2.gz JHXMQCZXVTZSTC-ZDUSSCGKSA-N 1 0 279.380 2.385 20 10 CECDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000817413329 633651649 /nfs/dbraw/zinc/65/16/49/633651649.db2.gz WKPKYSJEJLZCIT-QWRGUYRKSA-N 1 0 269.772 2.496 20 10 CECDRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000817414871 633653215 /nfs/dbraw/zinc/65/32/15/633653215.db2.gz KHBAMSZSIBYPQG-CQSZACIVSA-N 1 0 284.359 2.113 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CC2(CC(N)=O)CC2)c2c1c(F)ccc2O ZINC000817586552 633702700 /nfs/dbraw/zinc/70/27/00/633702700.db2.gz PMGZWQBQGBACMG-KOLCDFICSA-N 1 0 292.354 2.325 20 10 CECDRO C[C@H](NCc1ccc(N(C)C)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000817901735 633762562 /nfs/dbraw/zinc/76/25/62/633762562.db2.gz XTFCRDHAQHBQBF-SMDDNHRTSA-N 1 0 265.376 2.122 20 10 CECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN)c1O ZINC000817934487 633786802 /nfs/dbraw/zinc/78/68/02/633786802.db2.gz JMZAEGHCSHSXCR-QMMMGPOBSA-N 1 0 273.174 2.072 20 10 CECDRO C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817942161 633789575 /nfs/dbraw/zinc/78/95/75/633789575.db2.gz XMPJMWMKSLIYNG-CKYFFXLPSA-N 1 0 264.344 2.421 20 10 CECDRO C[C@@H]1C[C@@H](NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c2nccn21 ZINC000817942288 633789703 /nfs/dbraw/zinc/78/97/03/633789703.db2.gz NPSXLTACOIAXJY-UHOFOFEASA-N 1 0 299.422 2.245 20 10 CECDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817945222 633792493 /nfs/dbraw/zinc/79/24/93/633792493.db2.gz XMXIMGCVTGDOJT-BXUZGUMPSA-N 1 0 260.381 2.284 20 10 CECDRO C[NH2+]CCN[C@H](C)c1ccc(Br)cc1O ZINC000817952160 633796262 /nfs/dbraw/zinc/79/62/62/633796262.db2.gz OFJURJXXBYFYOQ-MRVPVSSYSA-N 1 0 273.174 2.025 20 10 CECDRO C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]2)c2c1c(F)ccc2O ZINC000817953226 633797529 /nfs/dbraw/zinc/79/75/29/633797529.db2.gz XQFBLEHEQPXQHG-FOGDFJRCSA-N 1 0 264.344 2.421 20 10 CECDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)nn1C ZINC000817957319 633799766 /nfs/dbraw/zinc/79/97/66/633799766.db2.gz KVNSCLUGASWDJN-GFCCVEGCSA-N 1 0 258.369 2.204 20 10 CECDRO C[C@H](C[NH3+])N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817966951 633810059 /nfs/dbraw/zinc/81/00/59/633810059.db2.gz ZZTNMZHXVGYIAY-VXGBXAGGSA-N 1 0 297.830 2.174 20 10 CECDRO C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817971297 633814083 /nfs/dbraw/zinc/81/40/83/633814083.db2.gz CATFFRHOYNMZMH-RNFRBKRXSA-N 1 0 291.164 2.292 20 10 CECDRO Cc1ccc([C@H](C)N[C@H]2C[NH2+]CCC2(F)F)c(O)c1 ZINC000817979436 633821120 /nfs/dbraw/zinc/82/11/20/633821120.db2.gz BBGMKUDDHHZALO-GWCFXTLKSA-N 1 0 270.323 2.348 20 10 CECDRO CC[C@@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817982289 633825102 /nfs/dbraw/zinc/82/51/02/633825102.db2.gz QXLHDEFFUUCOAF-IAGOWNOFSA-N 1 0 291.439 2.172 20 10 CECDRO COC[C@@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818116075 633871728 /nfs/dbraw/zinc/87/17/28/633871728.db2.gz GGDODXCIWWKDJX-ZIAGYGMSSA-N 1 0 278.396 2.146 20 10 CECDRO COC[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818116073 633872478 /nfs/dbraw/zinc/87/24/78/633872478.db2.gz GGDODXCIWWKDJX-KGLIPLIRSA-N 1 0 278.396 2.146 20 10 CECDRO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)c2c1c(F)ccc2O ZINC000818357986 633915166 /nfs/dbraw/zinc/91/51/66/633915166.db2.gz MKQIJUMPITXDPI-CDEVMZEPSA-N 1 0 251.301 2.193 20 10 CECDRO C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000822081202 634845755 /nfs/dbraw/zinc/84/57/55/634845755.db2.gz CYFGWLNXLQXGMQ-UONOGXRCSA-N 1 0 289.423 2.272 20 10 CECDRO C[C@@H]([NH2+]CCN1CCCOCC1)c1cc(Cl)ccc1O ZINC000903227312 635016880 /nfs/dbraw/zinc/01/68/80/635016880.db2.gz LIOFMTPDDFDGES-GFCCVEGCSA-N 1 0 298.814 2.419 20 10 CECDRO CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000903342482 635070293 /nfs/dbraw/zinc/07/02/93/635070293.db2.gz FIDMTBLLZQQGCL-LSDHHAIUSA-N 1 0 292.423 2.462 20 10 CECDRO COc1nccc(C[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC000823847428 635289667 /nfs/dbraw/zinc/28/96/67/635289667.db2.gz NCJXIDXHAVNGHS-UHFFFAOYSA-N 1 0 286.379 2.149 20 10 CECDRO CC[C@@H](CO)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000824533258 635444172 /nfs/dbraw/zinc/44/41/72/635444172.db2.gz CJUHTTYBNWHVIU-JTQLQIEISA-N 1 0 261.724 2.387 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCOC2(C)C)c(O)c1 ZINC000824626016 635465004 /nfs/dbraw/zinc/46/50/04/635465004.db2.gz RUPDJYPURBWESJ-AWEZNQCLSA-N 1 0 265.353 2.448 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000824708872 635481714 /nfs/dbraw/zinc/48/17/14/635481714.db2.gz KZFHZAWRZCCVIX-BXUZGUMPSA-N 1 0 299.798 2.495 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000824710446 635483091 /nfs/dbraw/zinc/48/30/91/635483091.db2.gz YWFQGPSIOVDLSU-IINYFYTJSA-N 1 0 285.771 2.187 20 10 CECDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc(F)c3[O-])C[C@@H]21 ZINC000824893402 635518401 /nfs/dbraw/zinc/51/84/01/635518401.db2.gz RESNFXTZYQDJEU-RNCFNFMXSA-N 1 0 284.762 2.321 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)NC ZINC000825315866 635613934 /nfs/dbraw/zinc/61/39/34/635613934.db2.gz HCIGJVJAICSZJD-INIZCTEOSA-N 1 0 289.423 2.291 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)C(C)C)cc1Cl ZINC000825326033 635617516 /nfs/dbraw/zinc/61/75/16/635617516.db2.gz LCBAUJXRWBHCFE-GFCCVEGCSA-N 1 0 257.761 2.461 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@]2(O)CCSC2)cc1Cl ZINC000825331135 635618248 /nfs/dbraw/zinc/61/82/48/635618248.db2.gz IWNZIJKBVQNVPZ-ZDUSSCGKSA-N 1 0 287.812 2.312 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCSC2)cc1Cl ZINC000825331132 635618287 /nfs/dbraw/zinc/61/82/87/635618287.db2.gz IWNZIJKBVQNVPZ-CYBMUJFWSA-N 1 0 287.812 2.312 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000825338306 635619983 /nfs/dbraw/zinc/61/99/83/635619983.db2.gz ODDWVNXQZGJRJS-CQSZACIVSA-N 1 0 262.397 2.347 20 10 CECDRO Oc1c(F)cccc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904431575 635626635 /nfs/dbraw/zinc/62/66/35/635626635.db2.gz WWYAOUUNUPTOSY-HNNXBMFYSA-N 1 0 264.344 2.249 20 10 CECDRO CN(C)c1ccc(CNCC2([NH3+])CC2)c(C(F)(F)F)c1 ZINC000904445622 635638998 /nfs/dbraw/zinc/63/89/98/635638998.db2.gz YETRALKETAFFET-UHFFFAOYSA-N 1 0 287.329 2.352 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CC(CCOC)C2)c1 ZINC000826899196 635875500 /nfs/dbraw/zinc/87/55/00/635875500.db2.gz FRGSPRNGOPTKSX-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000826910300 635879755 /nfs/dbraw/zinc/87/97/55/635879755.db2.gz DWOUTBXIHRIADO-QUJCMNEKSA-N 1 0 285.384 2.311 20 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/nfs/dbraw/zinc/87/54/96/636875496.db2.gz DPBREMRDWLTKPA-JTQLQIEISA-N 1 0 287.454 2.130 20 10 CECDRO CN(Cc1ccccc1O)C(=O)NCCCCCC[NH3+] ZINC000831256478 637267322 /nfs/dbraw/zinc/26/73/22/637267322.db2.gz ACKGFZYOARKXQD-UHFFFAOYSA-N 1 0 279.384 2.053 20 10 CECDRO CCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876564377 650332150 /nfs/dbraw/zinc/33/21/50/650332150.db2.gz RUWXRVKPHFJFCI-UHFFFAOYSA-N 1 0 262.397 2.490 20 10 CECDRO CCC(C)(C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832281970 637532986 /nfs/dbraw/zinc/53/29/86/637532986.db2.gz WNEBHPCCMSTDAA-AWEZNQCLSA-N 1 0 277.412 2.305 20 10 CECDRO [O-]c1c(F)cccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000841089346 637710041 /nfs/dbraw/zinc/71/00/41/637710041.db2.gz LSVCGJRMGSKCHG-GFCCVEGCSA-N 1 0 264.344 2.296 20 10 CECDRO COC1([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)CCOCC1 ZINC000834496765 637847871 /nfs/dbraw/zinc/84/78/71/637847871.db2.gz PPRRXPQQICUDEU-CQSZACIVSA-N 1 0 292.423 2.426 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCOC[C@@H]1CCOC1)CC2 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WRNJUVKGBSSVII-UHFFFAOYSA-N 1 0 277.755 2.476 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)c(O)c1 ZINC000835085109 638055725 /nfs/dbraw/zinc/05/57/25/638055725.db2.gz WQBOYBRFGDOEST-RISCZKNCSA-N 1 0 265.353 2.042 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(C2OCCO2)CC1 ZINC000876680062 650396468 /nfs/dbraw/zinc/39/64/68/650396468.db2.gz YGIXRRVPEIQHNN-UHFFFAOYSA-N 1 0 277.364 2.286 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c(O)c1 ZINC000876715733 650408668 /nfs/dbraw/zinc/40/86/68/650408668.db2.gz RWLPAWGKNHJNDL-HNNXBMFYSA-N 1 0 288.391 2.287 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)CCC2C[NH2+]C2)cc1 ZINC000876728354 650411752 /nfs/dbraw/zinc/41/17/52/650411752.db2.gz JSKNFBPMULCYFY-UHFFFAOYSA-N 1 0 289.423 2.149 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC000876764827 650424604 /nfs/dbraw/zinc/42/46/04/650424604.db2.gz WYYUMUTUHIJCIY-LBPRGKRZSA-N 1 0 275.270 2.200 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000876782389 650429078 /nfs/dbraw/zinc/42/90/78/650429078.db2.gz PWHZJVMPAXPKBV-HNNXBMFYSA-N 1 0 291.391 2.471 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c(O)c1 ZINC000876806926 650440467 /nfs/dbraw/zinc/44/04/67/650440467.db2.gz WHDYAVMKKBNUQC-HOTGVXAUSA-N 1 0 277.364 2.080 20 10 CECDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(C)cccc3O)[C@H]2C1 ZINC000876814044 650443708 /nfs/dbraw/zinc/44/37/08/650443708.db2.gz JIWYQVDJZZIFGH-KMFMINBZSA-N 1 0 291.391 2.469 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]Cc1cc[nH]n1 ZINC000164067150 639344375 /nfs/dbraw/zinc/34/43/75/639344375.db2.gz JWDUTOHKCIZHRT-UHFFFAOYSA-N 1 0 282.141 2.168 20 10 CECDRO COc1ncccc1C[NH2+]Cc1cc(F)ccc1O ZINC000226584409 639554694 /nfs/dbraw/zinc/55/46/94/639554694.db2.gz LZQVPDYFZMWGMR-UHFFFAOYSA-N 1 0 262.284 2.225 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000226583568 639555020 /nfs/dbraw/zinc/55/50/20/639555020.db2.gz PCNIGEMNVSCZPH-CYBMUJFWSA-N 1 0 289.306 2.461 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C)C2)c(Cl)c1 ZINC000840891756 639573330 /nfs/dbraw/zinc/57/33/30/639573330.db2.gz CWIVWXQQEYNRDM-JTQLQIEISA-N 1 0 254.761 2.148 20 10 CECDRO CC(=O)N1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840910240 639582320 /nfs/dbraw/zinc/58/23/20/639582320.db2.gz OTRGJYNOZTZAEF-UHFFFAOYSA-N 1 0 296.798 2.408 20 10 CECDRO CCNC(=O)C[N@H+](CC)Cc1ccc(N(C)C)cc1C ZINC000840910655 639582602 /nfs/dbraw/zinc/58/26/02/639582602.db2.gz VTLHZXIEFJKQJG-UHFFFAOYSA-N 1 0 277.412 2.019 20 10 CECDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840915166 639584717 /nfs/dbraw/zinc/58/47/17/639584717.db2.gz LTZWBTKPWVWQHR-LLVKDONJSA-N 1 0 296.798 2.312 20 10 CECDRO Cc1cc(O)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000840921213 639586606 /nfs/dbraw/zinc/58/66/06/639586606.db2.gz WETPAANLQGEIET-GHMZBOCLSA-N 1 0 266.772 2.005 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccc(CO)cc2)c1 ZINC000227464563 639591504 /nfs/dbraw/zinc/59/15/04/639591504.db2.gz AYFNIYOYPMDPDM-UHFFFAOYSA-N 1 0 273.332 2.183 20 10 CECDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936561 639591778 /nfs/dbraw/zinc/59/17/78/639591778.db2.gz LGKIURFSIRLYQI-HOTGVXAUSA-N 1 0 289.423 2.065 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840941884 639595720 /nfs/dbraw/zinc/59/57/20/639595720.db2.gz PHRDEJIHAFHTIH-ZDUSSCGKSA-N 1 0 277.412 2.017 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCOCC(F)F ZINC000840942199 639595801 /nfs/dbraw/zinc/59/58/01/639595801.db2.gz VKLZJOVSERZZDE-UHFFFAOYSA-N 1 0 272.339 2.432 20 10 CECDRO Cc1cccc(C[N@H+]2CCCc3c(cnn3C)C2)c1O ZINC000840953951 639598657 /nfs/dbraw/zinc/59/86/57/639598657.db2.gz AOJBYTLTEBKCPK-UHFFFAOYSA-N 1 0 271.364 2.383 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)C2(OC)CCC2)c1O ZINC000840970132 639604715 /nfs/dbraw/zinc/60/47/15/639604715.db2.gz PZCZGSSNEAUXNF-NSHDSACASA-N 1 0 265.353 2.448 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](O)C(C)C ZINC000840968279 639605137 /nfs/dbraw/zinc/60/51/37/639605137.db2.gz QDMIIMHZICAVIO-HIFRSBDPSA-N 1 0 267.369 2.286 20 10 CECDRO Cc1ccc(O)c(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1 ZINC000840977183 639607815 /nfs/dbraw/zinc/60/78/15/639607815.db2.gz UGPMURABCIDVDJ-AWEZNQCLSA-N 1 0 276.380 2.190 20 10 CECDRO Cc1cc(O)c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c(Cl)c1 ZINC000841026859 639619961 /nfs/dbraw/zinc/61/99/61/639619961.db2.gz SWGJUNRGNWCUMU-MFKMUULPSA-N 1 0 266.772 2.148 20 10 CECDRO COc1ccc(C[NH2+]CCc2ccc(N)cc2)cc1O ZINC000841034556 639626952 /nfs/dbraw/zinc/62/69/52/639626952.db2.gz CJOIKYRFPMUJSQ-UHFFFAOYSA-N 1 0 272.348 2.315 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC[NH2+]1 ZINC000841062837 639637960 /nfs/dbraw/zinc/63/79/60/639637960.db2.gz YHLORBPXJAURFS-KWQFWETISA-N 1 0 272.751 2.415 20 10 CECDRO [O-]c1c(F)cccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000841072408 639643761 /nfs/dbraw/zinc/64/37/61/639643761.db2.gz JNUYVZLIYQJFOD-GFCCVEGCSA-N 1 0 252.333 2.153 20 10 CECDRO CC[C@@H]([NH3+])C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000841072547 639643812 /nfs/dbraw/zinc/64/38/12/639643812.db2.gz PLHBNAUNKWKPHF-SNVBAGLBSA-N 1 0 287.201 2.290 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCN(C)C(C)C)c1O ZINC000228672903 639651473 /nfs/dbraw/zinc/65/14/73/639651473.db2.gz KFTLQYGGKAGSBE-UHFFFAOYSA-N 1 0 286.803 2.484 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CN)C(C)(C)C)c(O)c1 ZINC000841086688 639651654 /nfs/dbraw/zinc/65/16/54/639651654.db2.gz CUFSXZBOWUONCP-CQSZACIVSA-N 1 0 266.385 2.254 20 10 CECDRO CN(C)c1ccc(/C=C/CN[C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000841085634 639651896 /nfs/dbraw/zinc/65/18/96/639651896.db2.gz JBLHXURGLYYNJV-SQRWCISFSA-N 1 0 273.424 2.496 20 10 CECDRO COc1ccc(CN[C@@H](CC[NH3+])C(F)(F)F)cc1C ZINC000841089911 639652963 /nfs/dbraw/zinc/65/29/63/639652963.db2.gz BRUPOSBTITWLSL-LBPRGKRZSA-N 1 0 276.302 2.373 20 10 CECDRO CCOc1ccc(CN[C@@H](CC[NH3+])C(F)(F)F)c(O)c1 ZINC000841091308 639654678 /nfs/dbraw/zinc/65/46/78/639654678.db2.gz XYPGTROEDSLWBF-LBPRGKRZSA-N 1 0 292.301 2.160 20 10 CECDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000228792777 639659367 /nfs/dbraw/zinc/65/93/67/639659367.db2.gz QIAVARXIVRJORH-LBPRGKRZSA-N 1 0 264.369 2.220 20 10 CECDRO C[NH2+]CCC[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000841103307 639674819 /nfs/dbraw/zinc/67/48/19/639674819.db2.gz GMEUAHXEWKDXNI-UHFFFAOYSA-N 1 0 287.201 2.196 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000229104753 639676488 /nfs/dbraw/zinc/67/64/88/639676488.db2.gz WVQMGZRTUGUHOR-OLZOCXBDSA-N 1 0 296.798 2.381 20 10 CECDRO Cc1cc(NC(=O)NCCc2ccc(N)cc2)c(C)cn1 ZINC000841170202 639697977 /nfs/dbraw/zinc/69/79/77/639697977.db2.gz XPUZUAQFGJQGBG-UHFFFAOYSA-N 1 0 284.363 2.067 20 10 CECDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000230160440 639744528 /nfs/dbraw/zinc/74/45/28/639744528.db2.gz YNPUQUMMDCVLCU-OAHLLOKOSA-N 1 0 292.423 2.021 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000230668693 639778639 /nfs/dbraw/zinc/77/86/39/639778639.db2.gz FYWQKBVDQNHOKH-HOCLYGCPSA-N 1 0 262.397 2.393 20 10 CECDRO CS[C@H]1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000230696817 639780059 /nfs/dbraw/zinc/78/00/59/639780059.db2.gz OXLWITISXQRVJC-QWRGUYRKSA-N 1 0 281.377 2.495 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)N(C)[C@H](C)C[NH3+])cc1 ZINC000841717872 639848365 /nfs/dbraw/zinc/84/83/65/639848365.db2.gz NSFMWLZYLIILFX-CYBMUJFWSA-N 1 0 292.427 2.021 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(Cl)cc1O ZINC000841748063 639856870 /nfs/dbraw/zinc/85/68/70/639856870.db2.gz VVWNKYXBQHQWIP-KOLCDFICSA-N 1 0 254.761 2.400 20 10 CECDRO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(Cl)cc1O ZINC000841752459 639857799 /nfs/dbraw/zinc/85/77/99/639857799.db2.gz TVKMKQGUWOHRDW-NOZJJQNGSA-N 1 0 295.770 2.163 20 10 CECDRO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841753912 639858939 /nfs/dbraw/zinc/85/89/39/639858939.db2.gz OJGAGXNEKLHNTM-NMIRZEMHSA-N 1 0 275.801 2.463 20 10 CECDRO CCN1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)CC1=O ZINC000841759300 639860162 /nfs/dbraw/zinc/86/01/62/639860162.db2.gz YJLZNTKSSOBCTI-MWLCHTKSSA-N 1 0 282.771 2.317 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841941106 639908517 /nfs/dbraw/zinc/90/85/17/639908517.db2.gz KVKBUUNEZCSUKY-CQSZACIVSA-N 1 0 291.395 2.066 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CC[NH3+] ZINC000841966915 639913433 /nfs/dbraw/zinc/91/34/33/639913433.db2.gz HRXDVXZIDDWZDO-CYBMUJFWSA-N 1 0 292.427 2.021 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC[S@@](=O)C(C)(C)C ZINC000877056948 650551749 /nfs/dbraw/zinc/55/17/49/650551749.db2.gz XXANVYOABIYWSM-GOSISDBHSA-N 1 0 269.410 2.337 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC000842614731 640119349 /nfs/dbraw/zinc/11/93/49/640119349.db2.gz CSGBIBUDUACTHX-HNNXBMFYSA-N 1 0 298.390 2.485 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H]3CO[C@@H](C)C3)CC2)cc1 ZINC000842673335 640145890 /nfs/dbraw/zinc/14/58/90/640145890.db2.gz JNMBPRCQGADIHB-ZFWWWQNUSA-N 1 0 290.407 2.431 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CCCSc2nccs2)CO1 ZINC000842684032 640148759 /nfs/dbraw/zinc/14/87/59/640148759.db2.gz VYMLXZNKMXUJOG-NXEZZACHSA-N 1 0 258.412 2.392 20 10 CECDRO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1c(O)cccc1F ZINC000914069456 640212676 /nfs/dbraw/zinc/21/26/76/640212676.db2.gz WTCFXMZDUOGEIN-NSHDSACASA-N 1 0 297.374 2.061 20 10 CECDRO C[N@H+](Cc1cccc(Cl)c1[O-])C1CC[NH2+]CC1 ZINC000843044706 640250075 /nfs/dbraw/zinc/25/00/75/640250075.db2.gz FZGUOHUSGMYYQK-UHFFFAOYSA-N 1 0 254.761 2.229 20 10 CECDRO COc1cccc(O)c1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843047340 640252574 /nfs/dbraw/zinc/25/25/74/640252574.db2.gz RJENIDAHUGYZLX-FUNVUKJBSA-N 1 0 276.380 2.116 20 10 CECDRO C[C@H](CC(=O)N(C)c1ccc(N)cc1)C1CC[NH2+]CC1 ZINC000877078863 650563065 /nfs/dbraw/zinc/56/30/65/650563065.db2.gz IDBZCEDCRTYNEX-GFCCVEGCSA-N 1 0 275.396 2.257 20 10 CECDRO [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000843123224 640291007 /nfs/dbraw/zinc/29/10/07/640291007.db2.gz JBPHLBBTWHZGNV-GFCCVEGCSA-N 1 0 252.333 2.235 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1O ZINC000843129892 640296646 /nfs/dbraw/zinc/29/66/46/640296646.db2.gz SRXJBXQYGXYVLA-IUCAKERBSA-N 1 0 272.776 2.270 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@H](C[NH3+])C[C@@H]2C)c1O ZINC000843362454 640404633 /nfs/dbraw/zinc/40/46/33/640404633.db2.gz HJAPJFSFDMGZKO-ONGXEEELSA-N 1 0 296.798 2.417 20 10 CECDRO CCCN(Cc1cncnc1OC)c1ccc(C[NH3+])cc1 ZINC000843407386 640418012 /nfs/dbraw/zinc/41/80/12/640418012.db2.gz YLCGBUMKVQGILZ-UHFFFAOYSA-N 1 0 286.379 2.361 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]([NH3+])CC(F)F ZINC000843413524 640419473 /nfs/dbraw/zinc/41/94/73/640419473.db2.gz ROVRJJZDXRHNEZ-LLVKDONJSA-N 1 0 286.322 2.113 20 10 CECDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1cc(Cl)ccc1O ZINC000844932079 640869070 /nfs/dbraw/zinc/86/90/70/640869070.db2.gz CAHIUHKQNOMNIR-JTQLQIEISA-N 1 0 299.802 2.185 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(C)=O)C2)cc1C ZINC000994567149 640954625 /nfs/dbraw/zinc/95/46/25/640954625.db2.gz CBYRURCADOOZJI-CVEARBPZSA-N 1 0 290.407 2.398 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cc2cnccn2)c1O ZINC000846142482 641199280 /nfs/dbraw/zinc/19/92/80/641199280.db2.gz ULZPHEDQZBIGAW-NEPJUHHUSA-N 1 0 287.363 2.473 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](CO)CC(C)C)c1O ZINC000846144692 641200374 /nfs/dbraw/zinc/20/03/74/641200374.db2.gz MYEKIHWVRUWVQJ-VXGBXAGGSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000846144280 641200522 /nfs/dbraw/zinc/20/05/22/641200522.db2.gz BXJMPEDPLYTPEZ-ZYHUDNBSSA-N 1 0 287.363 2.332 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC[C@H](C)OC)c1O ZINC000846143645 641200901 /nfs/dbraw/zinc/20/09/01/641200901.db2.gz FKXQNPBCDNNDFM-QWRGUYRKSA-N 1 0 253.342 2.476 20 10 CECDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148874 641203162 /nfs/dbraw/zinc/20/31/62/641203162.db2.gz IBQFUFIOKLUXBP-NEPJUHHUSA-N 1 0 267.369 2.460 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](C)OC)c1O ZINC000846162863 641207851 /nfs/dbraw/zinc/20/78/51/641207851.db2.gz CWNGTJZJWXWUBK-DCAQKATOSA-N 1 0 253.342 2.475 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCC(C)(C)CO)c1O ZINC000846171090 641211678 /nfs/dbraw/zinc/21/16/78/641211678.db2.gz RINTVTRIVPERAA-LLVKDONJSA-N 1 0 267.369 2.460 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](CO)C(C)C)c1O ZINC000846169867 641211863 /nfs/dbraw/zinc/21/18/63/641211863.db2.gz GNMFGKWGFYTXKV-NWDGAFQWSA-N 1 0 267.369 2.316 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)[C@H](C)O ZINC000846170062 641211876 /nfs/dbraw/zinc/21/18/76/641211876.db2.gz VTIKAPZFVICYST-SCVCMEIPSA-N 1 0 253.342 2.211 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCc2nnc(C)s2)c1O ZINC000846174053 641212842 /nfs/dbraw/zinc/21/28/42/641212842.db2.gz WJKDOSFFDRWRDD-VIFPVBQESA-N 1 0 293.392 2.454 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c1 ZINC000846212478 641224744 /nfs/dbraw/zinc/22/47/44/641224744.db2.gz LRVXAEVZOJZKJJ-CJNGLKHVSA-N 1 0 279.380 2.283 20 10 CECDRO CC[C@@]1(C(=O)N[C@H](C)c2ccccc2O)CCC[NH2+]1 ZINC000877255263 650643418 /nfs/dbraw/zinc/64/34/18/650643418.db2.gz BGSKGXGYVQSBDI-ABAIWWIYSA-N 1 0 262.353 2.102 20 10 CECDRO C[C@@H](NC(=O)/C=C/[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000877255847 650644418 /nfs/dbraw/zinc/64/44/18/650644418.db2.gz INZKWLPXKAIMCN-VSONXHSHSA-N 1 0 274.364 2.125 20 10 CECDRO C[NH+](C)CCCCC(=O)NCc1cc(Cl)ccc1O ZINC000846475836 641311593 /nfs/dbraw/zinc/31/15/93/641311593.db2.gz KZJUSOZZBRRXMI-UHFFFAOYSA-N 1 0 284.787 2.394 20 10 CECDRO CCOC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000179439960 641350825 /nfs/dbraw/zinc/35/08/25/641350825.db2.gz IJOZIUDQPTZXBB-UHFFFAOYSA-N 1 0 295.379 2.410 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(=O)NCC2CC2)cc1 ZINC000181295233 641535070 /nfs/dbraw/zinc/53/50/70/641535070.db2.gz LMXUTQGQUPFFDK-CYBMUJFWSA-N 1 0 289.423 2.320 20 10 CECDRO Cc1cccc(C[N@H+]2CCN(C)C[C@@H]2C(C)C)c1O ZINC000182134232 641627718 /nfs/dbraw/zinc/62/77/18/641627718.db2.gz BKBGYILXHPGHNQ-OAHLLOKOSA-N 1 0 262.397 2.473 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCOCC2CC2)c1 ZINC000182370190 641650778 /nfs/dbraw/zinc/65/07/78/641650778.db2.gz HTWJOHSUJOBWEQ-NSHDSACASA-N 1 0 265.353 2.478 20 10 CECDRO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1O ZINC000183487568 641750369 /nfs/dbraw/zinc/75/03/69/641750369.db2.gz DUAJTAKYAISBJK-ZIAGYGMSSA-N 1 0 278.396 2.154 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H](C)N1CCOCC1 ZINC000183498191 641753859 /nfs/dbraw/zinc/75/38/59/641753859.db2.gz DRWMFKZCMWEPPH-HZSPNIEDSA-N 1 0 278.396 2.152 20 10 CECDRO C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccccc1O ZINC000183596027 641770427 /nfs/dbraw/zinc/77/04/27/641770427.db2.gz GFJHCBYUTBJBBD-LBPRGKRZSA-N 1 0 284.359 2.384 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCCN2CCC2)cc1 ZINC000848543564 642044343 /nfs/dbraw/zinc/04/43/43/642044343.db2.gz HEMUNGNKHVFUNW-UTCJRWHESA-N 1 0 273.424 2.451 20 10 CECDRO CC[C@@H]([NH2+]C[C@](C)(CO)OC)c1ccc(N(C)C)cc1 ZINC000848557584 642052394 /nfs/dbraw/zinc/05/23/94/642052394.db2.gz GALMZMMIMQPBJX-HZPDHXFCSA-N 1 0 280.412 2.191 20 10 CECDRO Nc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848594376 642072364 /nfs/dbraw/zinc/07/23/64/642072364.db2.gz JZRLPTXAOKWIOV-LSDHHAIUSA-N 1 0 288.395 2.407 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@H](C[NH3+])C(F)(F)F ZINC000848714980 642109570 /nfs/dbraw/zinc/10/95/70/642109570.db2.gz YWMGKUIHQAVUNT-LBPRGKRZSA-N 1 0 275.318 2.040 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@H]2CC(=O)OC)c1O ZINC000848888407 642173563 /nfs/dbraw/zinc/17/35/63/642173563.db2.gz SXPXGFNSDNBNLO-AWEZNQCLSA-N 1 0 277.364 2.482 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](O)COCC(C)C)c1O ZINC000848893325 642174297 /nfs/dbraw/zinc/17/42/97/642174297.db2.gz CDQKSYFKHQEZEH-OAHLLOKOSA-N 1 0 281.396 2.078 20 10 CECDRO CCc1cccc(C[NH2+]CCNC(=O)c2ccco2)c1O ZINC000848892567 642174858 /nfs/dbraw/zinc/17/48/58/642174858.db2.gz APDYULUHSLTYDB-UHFFFAOYSA-N 1 0 288.347 2.067 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)Cc2cnccn2)c1O ZINC000848893789 642175501 /nfs/dbraw/zinc/17/55/01/642175501.db2.gz CMYZLFGQWLZPCL-GFCCVEGCSA-N 1 0 271.364 2.465 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O ZINC000848898568 642178063 /nfs/dbraw/zinc/17/80/63/642178063.db2.gz WENUBRLVJLPOHX-DFBGVHRSSA-N 1 0 288.391 2.054 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@@H](C)CN2CCOCC2)c1O ZINC000848908030 642183597 /nfs/dbraw/zinc/18/35/97/642183597.db2.gz WRBRXFOKEFWSSD-AWEZNQCLSA-N 1 0 292.423 2.107 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000848911170 642186192 /nfs/dbraw/zinc/18/61/92/642186192.db2.gz QUQSZIUFFRKRCJ-NSHDSACASA-N 1 0 297.420 2.010 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)c1O ZINC000848915843 642190140 /nfs/dbraw/zinc/19/01/40/642190140.db2.gz MNOXDLDWXXMIGO-DZGCQCFKSA-N 1 0 279.380 2.096 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)NC(C)(C)C ZINC000921612734 642258890 /nfs/dbraw/zinc/25/88/90/642258890.db2.gz DYXJIYKUAOLLTJ-GFCCVEGCSA-N 1 0 290.407 2.404 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c(O)c1 ZINC000877500339 650753399 /nfs/dbraw/zinc/75/33/99/650753399.db2.gz SBJVEDJVYVJODA-CQSZACIVSA-N 1 0 297.420 2.100 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@@H](C)[S@]1=O ZINC000877519691 650763218 /nfs/dbraw/zinc/76/32/18/650763218.db2.gz ZLLGIPMCTITWMW-VLXJIEOASA-N 1 0 281.421 2.432 20 10 CECDRO Cc1ccc(C[N@H+](C)C[C@H](O)C(F)(F)F)c(O)c1 ZINC000877526905 650768491 /nfs/dbraw/zinc/76/84/91/650768491.db2.gz GGQLPYYBPXLPGB-NSHDSACASA-N 1 0 263.259 2.056 20 10 CECDRO CO[C@@H](C[NH2+]Cc1c(O)cccc1Cl)[C@@H]1CCOC1 ZINC000850343765 642674159 /nfs/dbraw/zinc/67/41/59/642674159.db2.gz WNXPKAYABRKIAZ-YGRLFVJLSA-N 1 0 285.771 2.187 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)CC2CC2)cc1 ZINC000850385770 642694778 /nfs/dbraw/zinc/69/47/78/642694778.db2.gz CEOPKQHIQGXBIY-OAHLLOKOSA-N 1 0 262.397 2.251 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1C ZINC000850388373 642695323 /nfs/dbraw/zinc/69/53/23/642695323.db2.gz LVIXMJIIORILOE-LSDHHAIUSA-N 1 0 261.365 2.397 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1C ZINC000850387937 642695390 /nfs/dbraw/zinc/69/53/90/642695390.db2.gz DCONVJTWNQYZBJ-CABCVRRESA-N 1 0 261.365 2.402 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c(O)c1 ZINC000850389072 642696748 /nfs/dbraw/zinc/69/67/48/642696748.db2.gz SRWNVKUOLNINIY-HUUCEWRRSA-N 1 0 277.364 2.184 20 10 CECDRO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(C)cc2O)C1 ZINC000877549703 650782073 /nfs/dbraw/zinc/78/20/73/650782073.db2.gz HGJZRBCAAHCXRC-AWEZNQCLSA-N 1 0 281.327 2.034 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@H](C)OC)C2)cc1 ZINC000850488943 642729604 /nfs/dbraw/zinc/72/96/04/642729604.db2.gz PQABYAIENUNRKE-RDBSUJKOSA-N 1 0 278.396 2.287 20 10 CECDRO COC[C@@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000850489975 642730973 /nfs/dbraw/zinc/73/09/73/642730973.db2.gz ZGDRAMIUHPMDLE-WMLDXEAASA-N 1 0 290.407 2.289 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C/C=C/CO)c2c1c(F)ccc2O ZINC000850507745 642734772 /nfs/dbraw/zinc/73/47/72/642734772.db2.gz HPGJXTGHONBQET-ONKIFHLLSA-N 1 0 251.301 2.218 20 10 CECDRO CC[C@H]([NH2+]CCN(C)C(=O)OC)c1ccc(C)cc1O ZINC000850547168 642748610 /nfs/dbraw/zinc/74/86/10/642748610.db2.gz BOIJZUZRUYEBKG-ZDUSSCGKSA-N 1 0 280.368 2.440 20 10 CECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922007748 642838930 /nfs/dbraw/zinc/83/89/30/642838930.db2.gz FYDLFPZBLBDROL-FAAWYNLUSA-N 1 0 261.365 2.428 20 10 CECDRO O[C@@H]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922043989 642854480 /nfs/dbraw/zinc/85/44/80/642854480.db2.gz IMXBVCSMKWOHOF-UKRRQHHQSA-N 1 0 261.365 2.262 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)N1CCCC1 ZINC000922092482 642874877 /nfs/dbraw/zinc/87/48/77/642874877.db2.gz VVZIFTANTYYTSW-ZDUSSCGKSA-N 1 0 288.391 2.112 20 10 CECDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922161592 642922001 /nfs/dbraw/zinc/92/20/01/642922001.db2.gz DSLHSRAEOLWHSA-CYBMUJFWSA-N 1 0 285.391 2.466 20 10 CECDRO CCC1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877579165 650798125 /nfs/dbraw/zinc/79/81/25/650798125.db2.gz NIDYHOYHHTUMGG-UHFFFAOYSA-N 1 0 274.408 2.490 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000877605296 650810749 /nfs/dbraw/zinc/81/07/49/650810749.db2.gz YYEUUUZLFCUUBW-HNNXBMFYSA-N 1 0 279.405 2.409 20 10 CECDRO COCCN1CC[N@H+](Cc2ccc(C)cc2O)C(C)(C)C1 ZINC000877614142 650814989 /nfs/dbraw/zinc/81/49/89/650814989.db2.gz GNSCFBYTNACKOT-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCN2C)cc1 ZINC000922576572 643136741 /nfs/dbraw/zinc/13/67/41/643136741.db2.gz UBOWRQVXKQFVPQ-AWFCHZOYSA-N 1 0 259.397 2.060 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000877622539 650817690 /nfs/dbraw/zinc/81/76/90/650817690.db2.gz PYEMGAWIFFFDLM-IBGZPJMESA-N 1 0 295.326 2.101 20 10 CECDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(C)cc2O)C1 ZINC000877623112 650818613 /nfs/dbraw/zinc/81/86/13/650818613.db2.gz IVTFPQRRMUHPQD-IMJJTQAJSA-N 1 0 293.407 2.356 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@]13CCC[C@H]1OCC3)OCO2 ZINC000922698869 643211014 /nfs/dbraw/zinc/21/10/14/643211014.db2.gz OXUHEGYTTXPSNL-HZPDHXFCSA-N 1 0 291.347 2.170 20 10 CECDRO CCO[C@@H](CNCc1c(O)cccc1Cl)C[NH+](C)C ZINC000922757295 643248109 /nfs/dbraw/zinc/24/81/09/643248109.db2.gz DFARDQIIHJXALE-NSHDSACASA-N 1 0 286.803 2.102 20 10 CECDRO CN(C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)C1CC1 ZINC000113324822 643425039 /nfs/dbraw/zinc/42/50/39/643425039.db2.gz RXZLECYOKXTTGL-CYBMUJFWSA-N 1 0 268.788 2.475 20 10 CECDRO CC[C@]1(O)CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000877691697 650852613 /nfs/dbraw/zinc/85/26/13/650852613.db2.gz SRBSERKBYNHHTO-HNNXBMFYSA-N 1 0 265.353 2.138 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccccn2)cc1F ZINC000853099540 643653657 /nfs/dbraw/zinc/65/36/57/643653657.db2.gz XCKWNMUSYFFZDP-INIZCTEOSA-N 1 0 289.354 2.110 20 10 CECDRO O=c1c(C[N@@H+]2Cc3cccc(O)c3C2)cccn1C(F)F ZINC000877702740 650859801 /nfs/dbraw/zinc/85/98/01/650859801.db2.gz FTPMBXHLUYWTCC-UHFFFAOYSA-N 1 0 292.285 2.465 20 10 CECDRO C[NH2+]C[C@@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000853249410 643722097 /nfs/dbraw/zinc/72/20/97/643722097.db2.gz FELNMDMNPCFNIF-CQSZACIVSA-N 1 0 261.413 2.374 20 10 CECDRO C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)Cc2ccccc2O)C1 ZINC000111236499 643734598 /nfs/dbraw/zinc/73/45/98/643734598.db2.gz NGMNSPGTJYXLGY-OKILXGFUSA-N 1 0 290.407 2.329 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)cc1C ZINC000853540466 643809073 /nfs/dbraw/zinc/80/90/73/643809073.db2.gz HXXPWTQIXLAPJN-CQSZACIVSA-N 1 0 290.363 2.036 20 10 CECDRO CN(C)c1ccc(C[N@H+](C[C@H](O)C2CC2)C2CC2)cc1 ZINC000838793146 644012756 /nfs/dbraw/zinc/01/27/56/644012756.db2.gz HUOMXWDNWVRWFV-KRWDZBQOSA-N 1 0 274.408 2.488 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CCc2cn(C)cn2)c1O ZINC000839150579 644158594 /nfs/dbraw/zinc/15/85/94/644158594.db2.gz ZHHAGYRHQKUWIF-UHFFFAOYSA-N 1 0 279.771 2.420 20 10 CECDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CCC1 ZINC000839493211 644240100 /nfs/dbraw/zinc/24/01/00/644240100.db2.gz DXCLFALMFJNOGS-UHFFFAOYSA-N 1 0 289.423 2.243 20 10 CECDRO CCOC(=O)[C@@H](C)C1C[NH+](Cc2c(C)cccc2O)C1 ZINC000877829727 650925297 /nfs/dbraw/zinc/92/52/97/650925297.db2.gz ALBOFCULSPWGBI-LBPRGKRZSA-N 1 0 277.364 2.332 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@]2(C)CCCO2)c(O)c1 ZINC000756133692 644608949 /nfs/dbraw/zinc/60/89/49/644608949.db2.gz BHJJISQVTPLHGI-OAHLLOKOSA-N 1 0 265.353 2.450 20 10 CECDRO CCCNC(=O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756354749 644634143 /nfs/dbraw/zinc/63/41/43/644634143.db2.gz CGJQKNKEDGJOOE-LBPRGKRZSA-N 1 0 264.369 2.186 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COCC2CC2)c1 ZINC000756511939 644657067 /nfs/dbraw/zinc/65/70/67/644657067.db2.gz SLIALROZVLCBKW-TZMCWYRMSA-N 1 0 279.380 2.139 20 10 CECDRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000756526101 644658871 /nfs/dbraw/zinc/65/88/71/644658871.db2.gz FMDMJGYQXFWVBZ-JQWIXIFHSA-N 1 0 296.342 2.413 20 10 CECDRO COCCN(C)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756528720 644658919 /nfs/dbraw/zinc/65/89/19/644658919.db2.gz OZNJGXDDDMKMQN-AAEUAGOBSA-N 1 0 296.386 2.247 20 10 CECDRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(F)ccc1O ZINC000756565203 644668541 /nfs/dbraw/zinc/66/85/41/644668541.db2.gz WUVQCBNLKACSKZ-RYUDHWBXSA-N 1 0 283.343 2.235 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756583612 644672439 /nfs/dbraw/zinc/67/24/39/644672439.db2.gz CIMWWDOKVZLHDL-XAGWURHQSA-N 1 0 297.370 2.457 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(Cl)ccc1O ZINC000756638373 644676850 /nfs/dbraw/zinc/67/68/50/644676850.db2.gz OSSZWAZKOSYZCJ-JOYOIKCWSA-N 1 0 282.771 2.317 20 10 CECDRO C[C@@H]([NH2+]CCCNc1ncccn1)c1cc(F)ccc1O ZINC000756643527 644678197 /nfs/dbraw/zinc/67/81/97/644678197.db2.gz VLRYKWKFFJYTDW-LLVKDONJSA-N 1 0 290.342 2.474 20 10 CECDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)N(C)C ZINC000756737711 644688628 /nfs/dbraw/zinc/68/86/28/644688628.db2.gz YHBUYEVPZBZECC-KKZNHRDASA-N 1 0 280.343 2.146 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756782066 644691467 /nfs/dbraw/zinc/69/14/67/644691467.db2.gz MCNPKYNMZFZRJU-ONGXEEELSA-N 1 0 294.370 2.441 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C2CCOCC2)c(O)c1C ZINC000757656441 644831382 /nfs/dbraw/zinc/83/13/82/644831382.db2.gz AAOVNZDMLQIUAL-BBRMVZONSA-N 1 0 293.407 2.447 20 10 CECDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(OC)ccc1O ZINC000757918800 644857554 /nfs/dbraw/zinc/85/75/54/644857554.db2.gz GDGCSRFXRHNORV-OAHLLOKOSA-N 1 0 281.352 2.222 20 10 CECDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1c(O)cccc1Cl)C2 ZINC000857226779 644859979 /nfs/dbraw/zinc/85/99/79/644859979.db2.gz ZDCRWAFHPONXSD-IINYFYTJSA-N 1 0 266.772 2.359 20 10 CECDRO CC1(C)OCC([NH2+]Cc2cc(Cl)ccc2O)CO1 ZINC000758012586 644871217 /nfs/dbraw/zinc/87/12/17/644871217.db2.gz RZISCWGVZSLPAE-UHFFFAOYSA-N 1 0 271.744 2.287 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1O ZINC000758563512 644941055 /nfs/dbraw/zinc/94/10/55/644941055.db2.gz VYMQGBMQWNCQIN-CYBMUJFWSA-N 1 0 285.343 2.363 20 10 CECDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000759174525 644992377 /nfs/dbraw/zinc/99/23/77/644992377.db2.gz VKBROIZFLQIAMQ-HOCLYGCPSA-N 1 0 279.380 2.293 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c1O ZINC000759294590 645008047 /nfs/dbraw/zinc/00/80/47/645008047.db2.gz UTYPAEDZLBZPHW-MQMHXKEQSA-N 1 0 279.380 2.432 20 10 CECDRO Cc1nccn1CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858117501 645067096 /nfs/dbraw/zinc/06/70/96/645067096.db2.gz QDSYAEBTLURTOT-UHFFFAOYSA-N 1 0 294.349 2.326 20 10 CECDRO OC[C@@H]([NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000858137933 645071506 /nfs/dbraw/zinc/07/15/06/645071506.db2.gz ISUXHXAYAAQYTQ-LLVKDONJSA-N 1 0 286.169 2.015 20 10 CECDRO C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000858245365 645097627 /nfs/dbraw/zinc/09/76/27/645097627.db2.gz RIIQMRSMCRMXIS-GFCCVEGCSA-N 1 0 293.367 2.122 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2C[C@@H](OC)C2)c1 ZINC000858331646 645121281 /nfs/dbraw/zinc/12/12/81/645121281.db2.gz ZMQATJRAJQSTRF-VDISTLRHSA-N 1 0 265.353 2.306 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000858470572 645171156 /nfs/dbraw/zinc/17/11/56/645171156.db2.gz IZKHQCSLEMVYMS-STQMWFEESA-N 1 0 273.332 2.231 20 10 CECDRO C[C@H]([NH2+]C[C@H]1COCCN1C)c1cc(Cl)ccc1O ZINC000858522535 645190714 /nfs/dbraw/zinc/19/07/14/645190714.db2.gz FTRKZNCWEDNIHR-JQWIXIFHSA-N 1 0 284.787 2.027 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(N(C)C)cc1 ZINC000763396982 645541817 /nfs/dbraw/zinc/54/18/17/645541817.db2.gz GQYVNCFJGOHHBO-FZMZJTMJSA-N 1 0 263.385 2.057 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)CC(N)=O)c1ccc(N(C)C)cc1 ZINC000763396979 645542150 /nfs/dbraw/zinc/54/21/50/645542150.db2.gz GQYVNCFJGOHHBO-BXUZGUMPSA-N 1 0 263.385 2.057 20 10 CECDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCOC1 ZINC000763573531 645558314 /nfs/dbraw/zinc/55/83/14/645558314.db2.gz SVTGFMIJMXBODD-BBRMVZONSA-N 1 0 279.380 2.465 20 10 CECDRO CCOc1cccc(C[NH2+]C2(COC)CC2)c1O ZINC000765263701 645750106 /nfs/dbraw/zinc/75/01/06/645750106.db2.gz QLTFFLLFZIDKQO-UHFFFAOYSA-N 1 0 251.326 2.060 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)[C@H]1CCSC1 ZINC000768261316 646102489 /nfs/dbraw/zinc/10/24/89/646102489.db2.gz BGDPMJDDWAWHES-JTQLQIEISA-N 1 0 253.367 2.338 20 10 CECDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)c(O)c1 ZINC000769325950 646244855 /nfs/dbraw/zinc/24/48/55/646244855.db2.gz DURQHGBXSZTRDB-OAHLLOKOSA-N 1 0 290.407 2.459 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)c1 ZINC000769327430 646245873 /nfs/dbraw/zinc/24/58/73/646245873.db2.gz ZCYOCMMOMQPQTG-OAHLLOKOSA-N 1 0 290.407 2.459 20 10 CECDRO CCOc1ccc(C[N@H+](C)Cc2cn[nH]c2)c(O)c1 ZINC000769427305 646265220 /nfs/dbraw/zinc/26/52/20/646265220.db2.gz XOGLNYVVEVNCKW-UHFFFAOYSA-N 1 0 261.325 2.146 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCSC[C@H]2CCO)cc1C ZINC000770305732 646378091 /nfs/dbraw/zinc/37/80/91/646378091.db2.gz KAMRSYNWGUEEEO-CQSZACIVSA-N 1 0 281.421 2.309 20 10 CECDRO CC[C@H](CO)[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862382687 646428290 /nfs/dbraw/zinc/42/82/90/646428290.db2.gz WRLUHDZOKLCPSY-LLVKDONJSA-N 1 0 272.339 2.234 20 10 CECDRO C[C@@](CO)([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(O)c1 ZINC000862431171 646458296 /nfs/dbraw/zinc/45/82/96/646458296.db2.gz DYADDTRIAKZSDK-SFHVURJKSA-N 1 0 299.370 2.324 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000862465122 646468611 /nfs/dbraw/zinc/46/86/11/646468611.db2.gz DMZWIKIOCISTFM-SNVBAGLBSA-N 1 0 281.739 2.397 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCO[C@](C)(COC)C2)c1O ZINC000862550994 646496684 /nfs/dbraw/zinc/49/66/84/646496684.db2.gz IZRIFUKYIYUPMD-INIZCTEOSA-N 1 0 295.379 2.028 20 10 CECDRO COC[C@]1(C)C[N@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000863340398 646707684 /nfs/dbraw/zinc/70/76/84/646707684.db2.gz KOPDNFJCFVSRQJ-INIZCTEOSA-N 1 0 279.380 2.246 20 10 CECDRO CCOc1ccc(O)c(CN[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863484762 646740264 /nfs/dbraw/zinc/74/02/64/646740264.db2.gz LVAVVWFNKCRKCP-DGCLKSJQSA-N 1 0 264.369 2.021 20 10 CECDRO C[C@H]1CC[C@H](NCc2c(O)cccc2Cl)C[NH2+]1 ZINC000863484208 646740810 /nfs/dbraw/zinc/74/08/10/646740810.db2.gz IAZRDDVBPQZZES-UWVGGRQHSA-N 1 0 254.761 2.276 20 10 CECDRO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H]2C)c2c1c(F)ccc2O ZINC000863546099 646753118 /nfs/dbraw/zinc/75/31/18/646753118.db2.gz DJSDIGRXLDDGIX-DMWPJOQESA-N 1 0 264.344 2.420 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN(C)C[C@H](C)[NH3+])c1O ZINC000863566198 646757665 /nfs/dbraw/zinc/75/76/65/646757665.db2.gz DSWYRPIFRNAASJ-QMMMGPOBSA-N 1 0 270.760 2.027 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)cc1 ZINC000773846875 646780217 /nfs/dbraw/zinc/78/02/17/646780217.db2.gz LHIPTTUFKYKLHX-XJKSGUPXSA-N 1 0 262.397 2.345 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)c(O)c1 ZINC000775360996 646945471 /nfs/dbraw/zinc/94/54/71/646945471.db2.gz OIODVUCGXNQCOH-ZIAGYGMSSA-N 1 0 265.353 2.184 20 10 CECDRO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000775642837 646974761 /nfs/dbraw/zinc/97/47/61/646974761.db2.gz PCYLUEANKFRXMR-YPMHNXCESA-N 1 0 295.379 2.409 20 10 CECDRO Cc1cccc(C[NH+]2CCC(CCC(N)=O)CC2)c1O ZINC000775712368 646983530 /nfs/dbraw/zinc/98/35/30/646983530.db2.gz GQSORFUXRADUSL-UHFFFAOYSA-N 1 0 276.380 2.178 20 10 CECDRO Cc1cccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1O ZINC000775727048 646985351 /nfs/dbraw/zinc/98/53/51/646985351.db2.gz GOXHEUKEYCQTMB-INIZCTEOSA-N 1 0 291.391 2.471 20 10 CECDRO CCOC(=O)c1ccc(C[NH2+]Cc2ccccc2O)o1 ZINC000776151605 647027197 /nfs/dbraw/zinc/02/71/97/647027197.db2.gz QNSDZHRILCRNBY-UHFFFAOYSA-N 1 0 275.304 2.452 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CCN2CCC2)c1O ZINC000776252986 647042662 /nfs/dbraw/zinc/04/26/62/647042662.db2.gz KFUZSRDMPKXBSM-UHFFFAOYSA-N 1 0 254.761 2.149 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccc(F)cn2)c1 ZINC000776251741 647042753 /nfs/dbraw/zinc/04/27/53/647042753.db2.gz XRMPBAZVHKNQOL-UHFFFAOYSA-N 1 0 262.284 2.225 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@H]2OC)c1 ZINC000776256931 647043315 /nfs/dbraw/zinc/04/33/15/647043315.db2.gz SVRJSFMMSRENEG-XHDPSFHLSA-N 1 0 265.353 2.306 20 10 CECDRO OCC1([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000120339352 647156139 /nfs/dbraw/zinc/15/61/39/647156139.db2.gz IJNIFFPDIXYVDA-UHFFFAOYSA-N 1 0 260.381 2.291 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCn3ccnc3C2)c1 ZINC000778190570 647207849 /nfs/dbraw/zinc/20/78/49/647207849.db2.gz ZXQOJYIXJYRJNF-ZDUSSCGKSA-N 1 0 287.363 2.092 20 10 CECDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000779106259 647288782 /nfs/dbraw/zinc/28/87/82/647288782.db2.gz BACBXJKHLVUVNG-QMTHXVAHSA-N 1 0 253.317 2.436 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(O)(C(F)F)CC2)cc1 ZINC000779208081 647298037 /nfs/dbraw/zinc/29/80/37/647298037.db2.gz AWFQTTYIPHHLRB-UHFFFAOYSA-N 1 0 284.350 2.345 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC1(OC)CCC1 ZINC000779985164 647378111 /nfs/dbraw/zinc/37/81/11/647378111.db2.gz QJWKUDMOLVAGDT-UHFFFAOYSA-N 1 0 251.326 2.060 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1OC ZINC000780780325 647468780 /nfs/dbraw/zinc/46/87/80/647468780.db2.gz QAZALPJYVWRUPD-NWDGAFQWSA-N 1 0 295.379 2.314 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865874476 647516177 /nfs/dbraw/zinc/51/61/77/647516177.db2.gz DSNFLKIDWYJKOT-CQSZACIVSA-N 1 0 279.380 2.432 20 10 CECDRO Nc1nc(N2Cc3cccc(O)c3C2)c2c([nH+]1)CCCC2 ZINC000866116690 647617254 /nfs/dbraw/zinc/61/72/54/647617254.db2.gz AZPVMNWVNURZSK-UHFFFAOYSA-N 1 0 282.347 2.163 20 10 CECDRO COCC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H]1CCOC1 ZINC000782951547 647665386 /nfs/dbraw/zinc/66/53/86/647665386.db2.gz COJDPJWFKDNNLR-OAHLLOKOSA-N 1 0 279.380 2.246 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1[C@H]3C[C@H]4CO[C@H]1[C@H]4C3)CC2 ZINC000866444722 647789351 /nfs/dbraw/zinc/78/93/51/647789351.db2.gz CARSTEFIICMIKE-KUEHYUKNSA-N 1 0 271.360 2.393 20 10 CECDRO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ccccc1O ZINC000866466075 647796497 /nfs/dbraw/zinc/79/64/97/647796497.db2.gz YUYLSYJPFRCTQO-LAEOZQHASA-N 1 0 263.259 2.355 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](COC)C2)c(O)c1 ZINC000784666885 647873658 /nfs/dbraw/zinc/87/36/58/647873658.db2.gz CASHMWALOQFWDR-DOMZBBRYSA-N 1 0 295.379 2.027 20 10 CECDRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868361727 648107172 /nfs/dbraw/zinc/10/71/72/648107172.db2.gz GKMLOPZCFMCISK-STQMWFEESA-N 1 0 293.411 2.483 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC000788268589 648167395 /nfs/dbraw/zinc/16/73/95/648167395.db2.gz GKOWXGAKLVDDLX-KCJUWKMLSA-N 1 0 271.744 2.009 20 10 CECDRO COc1cc(O)c(C[NH2+]CCOC(F)(F)F)cc1OC ZINC000789582656 648318856 /nfs/dbraw/zinc/31/88/56/648318856.db2.gz XHXHZXKRLRNYTN-UHFFFAOYSA-N 1 0 295.257 2.035 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC(C)(C)OC[C@@H]2C)cc1OC ZINC000792726844 648669378 /nfs/dbraw/zinc/66/93/78/648669378.db2.gz YRVLMIQCKZULBA-NSHDSACASA-N 1 0 295.379 2.409 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCc1cccc(C)n1 ZINC000793203274 648722850 /nfs/dbraw/zinc/72/28/50/648722850.db2.gz WFLXDRRMWMRDOC-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2ncccc2O)c(O)c1 ZINC000793259016 648732727 /nfs/dbraw/zinc/73/27/27/648732727.db2.gz RLPXUKHDNAPVQR-UHFFFAOYSA-N 1 0 274.320 2.181 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)CCn2cccn2)c(O)c1 ZINC000793388513 648749194 /nfs/dbraw/zinc/74/91/94/648749194.db2.gz PFAMTCCWAAMACP-LBPRGKRZSA-N 1 0 275.352 2.166 20 10 CECDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000794388242 648861507 /nfs/dbraw/zinc/86/15/07/648861507.db2.gz SDWWQOLKSJORDL-LLVKDONJSA-N 1 0 294.395 2.184 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000794657569 648900304 /nfs/dbraw/zinc/90/03/04/648900304.db2.gz BGXPSEDQKSTCAO-WMLDXEAASA-N 1 0 291.391 2.389 20 10 CECDRO [NH3+][C@H]1CC[C@@H](C(=O)NCCCSc2nccs2)CC1 ZINC000870886316 648943696 /nfs/dbraw/zinc/94/36/96/648943696.db2.gz DDCOKISHTNGJQM-PHIMTYICSA-N 1 0 299.465 2.259 20 10 CECDRO C[C@@H](NC(=O)C1(C[NH3+])CCCC1)c1ccccc1O ZINC000870987717 648971079 /nfs/dbraw/zinc/97/10/79/648971079.db2.gz BENSKHHPQRKLNC-LLVKDONJSA-N 1 0 262.353 2.089 20 10 CECDRO C[C@@H](NC(=O)CCC12CC(C1)C[NH2+]2)c1ccccc1O ZINC000870987728 648971109 /nfs/dbraw/zinc/97/11/09/648971109.db2.gz BNECPPDOKFSZHB-OPGSHWCFSA-N 1 0 274.364 2.102 20 10 CECDRO C[C@H](NC(=O)CCC12CC(C1)C[NH2+]2)c1ccccc1O ZINC000870987727 648971333 /nfs/dbraw/zinc/97/13/33/648971333.db2.gz BNECPPDOKFSZHB-FZWSLVFFSA-N 1 0 274.364 2.102 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1C[C@H]3CCC[C@@H]3O1)OCO2 ZINC000873156928 649574384 /nfs/dbraw/zinc/57/43/84/649574384.db2.gz OVIZPIVZNQJYQO-OSMZGAPFSA-N 1 0 291.347 2.168 20 10 CECDRO Oc1ccc(Cl)cc1CN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230792 649602423 /nfs/dbraw/zinc/60/24/23/649602423.db2.gz YDPRVNWGZIYVND-KGLIPLIRSA-N 1 0 266.772 2.420 20 10 CECDRO C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cc(F)cc(F)c1[O-] ZINC000873256847 649612900 /nfs/dbraw/zinc/61/29/00/649612900.db2.gz PCNGKUVGLHUOET-NRPADANISA-N 1 0 256.296 2.058 20 10 CECDRO C[C@@H]([NH2+]CCc1nnc2ccccn21)c1ccccc1O ZINC000020128209 649728651 /nfs/dbraw/zinc/72/86/51/649728651.db2.gz FVHVXNUTTWVWOF-GFCCVEGCSA-N 1 0 282.347 2.328 20 10 CECDRO CCN(C#N)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000878455288 651101571 /nfs/dbraw/zinc/10/15/71/651101571.db2.gz VJSIGSOQXAOZOQ-ZDUSSCGKSA-N 1 0 260.385 2.206 20 10 CECDRO Cc1cccnc1NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649683 651335214 /nfs/dbraw/zinc/33/52/14/651335214.db2.gz BZJFRPOPPNZWIS-GFCCVEGCSA-N 1 0 285.347 2.385 20 10 CECDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651758 651336007 /nfs/dbraw/zinc/33/60/07/651336007.db2.gz JURGEQLKMRCNIW-SDDRHHMPSA-N 1 0 264.369 2.346 20 10 CECDRO [NH3+]C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000128318987 651410507 /nfs/dbraw/zinc/41/05/07/651410507.db2.gz MMEXEYRPWQUEHA-JTQLQIEISA-N 1 0 254.761 2.216 20 10 CECDRO CN(C)c1ccc(Cn2cc(C[NH2+]C3CCCC3)nn2)cc1 ZINC000881272346 651657166 /nfs/dbraw/zinc/65/71/66/651657166.db2.gz UGARTYJRHAVZIH-UHFFFAOYSA-N 1 0 299.422 2.425 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCN(C3CC3)CC2)cc1C ZINC000129094610 651800518 /nfs/dbraw/zinc/80/05/18/651800518.db2.gz MDUDNQSPBVCTIY-UHFFFAOYSA-N 1 0 260.381 2.289 20 10 CECDRO Cc1nccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882880528 652246302 /nfs/dbraw/zinc/24/63/02/652246302.db2.gz XDUJXSHNAGBFBW-UHFFFAOYSA-N 1 0 297.406 2.149 20 10 CECDRO CCOc1cccc(CNc2cc(CO)ccn2)c1O ZINC000883147865 652379050 /nfs/dbraw/zinc/37/90/50/652379050.db2.gz LVJHDSLXMAKPOJ-UHFFFAOYSA-N 1 0 274.320 2.290 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883255773 652416042 /nfs/dbraw/zinc/41/60/42/652416042.db2.gz DTPLNCIIFWHQOB-HNNXBMFYSA-N 1 0 291.391 2.458 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1O ZINC000131431959 652425068 /nfs/dbraw/zinc/42/50/68/652425068.db2.gz LDKVJQVRXNNYJJ-AAEUAGOBSA-N 1 0 264.369 2.103 20 10 CECDRO CCN1CC[C@@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000883359278 652442384 /nfs/dbraw/zinc/44/23/84/652442384.db2.gz CKDOEOLAULOLAI-FUTAKVPZSA-N 1 0 273.424 2.450 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCC3(CCC3)O1)OCO2 ZINC000883364862 652445391 /nfs/dbraw/zinc/44/53/91/652445391.db2.gz PKYBOCMBHNGGIJ-GFCCVEGCSA-N 1 0 291.347 2.312 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000132306186 652511870 /nfs/dbraw/zinc/51/18/70/652511870.db2.gz JSZKPKCVFMHNLE-UHFFFAOYSA-N 1 0 251.326 2.012 20 10 CECDRO COc1cccc(C[N@H+](CCN(C)C)CC(C)C)c1O ZINC000132550733 652531622 /nfs/dbraw/zinc/53/16/22/652531622.db2.gz UCNFNQJFGCZPBO-UHFFFAOYSA-N 1 0 280.412 2.420 20 10 CECDRO CCOc1cccc(C[NH2+]CCC(=O)NC(C)(C)C)c1O ZINC000134592206 652857841 /nfs/dbraw/zinc/85/78/41/652857841.db2.gz FLSXRFDSAFQKOB-UHFFFAOYSA-N 1 0 294.395 2.185 20 10 CECDRO CCc1cccc(C[N@H+](CCF)CCOC)c1O ZINC000697056225 806134283 /nfs/dbraw/zinc/13/42/83/806134283.db2.gz SJTGXDIGSWLPCV-UHFFFAOYSA-N 1 0 255.333 2.373 20 10 CECDRO C[NH+]1CCC2(C[NH+](Cc3cc(F)c(F)cc3[O-])C2)CC1 ZINC001142527454 806620709 /nfs/dbraw/zinc/62/07/09/806620709.db2.gz VGBIXQMWLPJATG-UHFFFAOYSA-N 1 0 282.334 2.198 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)c1 ZINC000402305801 802825917 /nfs/dbraw/zinc/82/59/17/802825917.db2.gz KFDIEAYTLJVPEN-VWYCJHECSA-N 1 0 251.326 2.229 20 10 CECDRO OCC1([NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000706871602 802847100 /nfs/dbraw/zinc/84/71/00/802847100.db2.gz MAYDIHXTPLJORW-UHFFFAOYSA-N 1 0 286.169 2.159 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1O ZINC000724604143 803193541 /nfs/dbraw/zinc/19/35/41/803193541.db2.gz NCWQKSDOBKIQFW-HLSYRSCKSA-N 1 0 277.364 2.237 20 10 CECDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@@H]2C)cc1C ZINC001267342908 803389849 /nfs/dbraw/zinc/38/98/49/803389849.db2.gz HCEOACNRFPWYOW-SWLSCSKDSA-N 1 0 290.407 2.208 20 10 CECDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921642 803606183 /nfs/dbraw/zinc/60/61/83/803606183.db2.gz LJRNDDXAVSPIFZ-ZWNOBZJWSA-N 1 0 268.788 2.361 20 10 CECDRO Cc1noc(C2CC[NH+](Cc3cc(O)ccc3O)CC2)n1 ZINC001141161805 803761790 /nfs/dbraw/zinc/76/17/90/803761790.db2.gz YTBZANWCNOZXFZ-UHFFFAOYSA-N 1 0 289.335 2.169 20 10 CECDRO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000722293755 804232347 /nfs/dbraw/zinc/23/23/47/804232347.db2.gz PTSAYXCNCRHSOO-BBRMVZONSA-N 1 0 273.424 2.109 20 10 CECDRO COC(=O)C1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000125715897 804238265 /nfs/dbraw/zinc/23/82/65/804238265.db2.gz RWVJVIIGTDAWMK-UHFFFAOYSA-N 1 0 277.364 2.394 20 10 CECDRO Cc1cccc(C[NH2+]C[C@]2(OC(C)C)CCOC2)c1O ZINC000722351915 804342349 /nfs/dbraw/zinc/34/23/49/804342349.db2.gz HMSSHGGFXRCVJB-MRXNPFEDSA-N 1 0 279.380 2.374 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2SCCS2)c1 ZINC000692904360 804424521 /nfs/dbraw/zinc/42/45/21/804424521.db2.gz KPBABBJGNWQVQT-UHFFFAOYSA-N 1 0 271.407 2.297 20 10 CECDRO C[C@H](Cn1cccn1)[NH2+]Cc1cc(Cl)ccc1O ZINC000037155666 815020542 /nfs/dbraw/zinc/02/05/42/815020542.db2.gz QJXXHBMCMTTZFA-SNVBAGLBSA-N 1 0 265.744 2.420 20 10 CECDRO CCC1(O)CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840345 807322656 /nfs/dbraw/zinc/32/26/56/807322656.db2.gz UFYPJQGSLOTZQD-UHFFFAOYSA-N 1 0 278.396 2.195 20 10 CECDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233335288 807396270 /nfs/dbraw/zinc/39/62/70/807396270.db2.gz ORMFHPHWGZBUEX-RKDXNWHRSA-N 1 0 257.280 2.016 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CCO)c2ccccc21 ZINC001236253700 808028477 /nfs/dbraw/zinc/02/84/77/808028477.db2.gz OMMIENVCYXYTOF-UHFFFAOYSA-N 1 0 258.365 2.330 20 10 CECDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC001203556383 808698967 /nfs/dbraw/zinc/69/89/67/808698967.db2.gz OFFAFQYRDDQWKM-AWEZNQCLSA-N 1 0 276.380 2.273 20 10 CECDRO Oc1cc2c(cc1O)CN(Cc1ccncc1)CCC2 ZINC001204081245 815274197 /nfs/dbraw/zinc/27/41/97/815274197.db2.gz KPQWJJWVDDFGRB-UHFFFAOYSA-N 1 0 270.332 2.441 20 10 CECDRO Cc1noc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001120965623 815302184 /nfs/dbraw/zinc/30/21/84/815302184.db2.gz MRBZXAFYYYQTAY-AWEZNQCLSA-N 1 0 289.383 2.159 20 10 CECDRO CC[N@@H+]1CCN(Cc2ccc(F)c(F)c2[O-])C[C@H]1C ZINC000703488890 809652521 /nfs/dbraw/zinc/65/25/21/809652521.db2.gz BTUNLBKSNOAUGH-SNVBAGLBSA-N 1 0 270.323 2.196 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CCC1(F)CCC1)OCO2 ZINC000705401714 809779976 /nfs/dbraw/zinc/77/99/76/809779976.db2.gz WGHRBJVYIMTUKP-UHFFFAOYSA-N 1 0 267.300 2.493 20 10 CECDRO C[C@H]1COC[C@@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706805242 809854366 /nfs/dbraw/zinc/85/43/66/809854366.db2.gz TXSTZJIDCJATPI-KWQFWETISA-N 1 0 286.169 2.279 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000606445374 810246888 /nfs/dbraw/zinc/24/68/88/810246888.db2.gz COIWCSHGOACOKG-CHWSQXEVSA-N 1 0 297.420 2.146 20 10 CECDRO COCC(C)(C)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC001120056805 810584453 /nfs/dbraw/zinc/58/44/53/810584453.db2.gz FPQHQMHIRHWXMS-UHFFFAOYSA-N 1 0 283.368 2.172 20 10 CECDRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1c(O)cccc1F ZINC001122258411 815396940 /nfs/dbraw/zinc/39/69/40/815396940.db2.gz UXSDNVBNRRQUDP-GFCCVEGCSA-N 1 0 282.359 2.172 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCn2cncn2)c1 ZINC000381717723 810833061 /nfs/dbraw/zinc/83/30/61/810833061.db2.gz TUNIKZCVUCGDFH-LBPRGKRZSA-N 1 0 260.341 2.033 20 10 CECDRO CC[NH+](CC)CC[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC001122513435 815420494 /nfs/dbraw/zinc/42/04/94/815420494.db2.gz QMJRDNIZLFYTFO-ZDUSSCGKSA-N 1 0 277.412 2.048 20 10 CECDRO C[N@H+](Cc1ccccc1O)C1CCC(S(C)(=O)=O)CC1 ZINC001169892019 811714257 /nfs/dbraw/zinc/71/42/57/811714257.db2.gz IQVUUGHSOGSUPQ-UHFFFAOYSA-N 1 0 297.420 2.180 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)c2nnc(C)[nH]2)c1O ZINC000691460809 811860313 /nfs/dbraw/zinc/86/03/13/811860313.db2.gz SJAXWKQHJUOKDQ-SECBINFHSA-N 1 0 260.341 2.232 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC000770380071 811920906 /nfs/dbraw/zinc/92/09/06/811920906.db2.gz LJKHXJOSKWXAJB-NOZJJQNGSA-N 1 0 255.745 2.248 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](CO)CC(C)C)c1O ZINC000691485352 811952344 /nfs/dbraw/zinc/95/23/44/811952344.db2.gz ZHNNCWHCYOEGPV-CQSZACIVSA-N 1 0 251.370 2.451 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](O)CC(C)C)c1O ZINC000691494794 811960653 /nfs/dbraw/zinc/96/06/53/811960653.db2.gz OUCZOQILGNVBMM-CQSZACIVSA-N 1 0 251.370 2.451 20 10 CECDRO O=C(CNc1c[nH+]cc2cc[nH]c21)c1ccc(O)c(O)c1 ZINC001170314573 812384442 /nfs/dbraw/zinc/38/44/42/812384442.db2.gz FCGGFFRNVPIDQU-UHFFFAOYSA-N 1 0 283.287 2.269 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)c2ccoc2)cc1C ZINC001123519040 815527561 /nfs/dbraw/zinc/52/75/61/815527561.db2.gz KCIOBAJZYPQGNC-UHFFFAOYSA-N 1 0 288.347 2.116 20 10 CECDRO CO[C@H]([C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000388208345 813232745 /nfs/dbraw/zinc/23/27/45/813232745.db2.gz FCWAJWYMPQJABG-RFAUZJTJSA-N 1 0 279.336 2.024 20 10 CECDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCCN3C)n(C)n1 ZINC000390534301 813266563 /nfs/dbraw/zinc/26/65/63/813266563.db2.gz ZOZOKOGVZXUZOH-UHFFFAOYSA-N 1 0 284.407 2.401 20 10 CECDRO CN(C)c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217641289 813376140 /nfs/dbraw/zinc/37/61/40/813376140.db2.gz CNODLFNIZNNMRS-IRXDYDNUSA-N 1 0 273.424 2.469 20 10 CECDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)nn1 ZINC000396689746 813579751 /nfs/dbraw/zinc/57/97/51/813579751.db2.gz BQGWMYIMMOSMDD-UHFFFAOYSA-N 1 0 256.353 2.141 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CS1 ZINC000397819824 813640346 /nfs/dbraw/zinc/64/03/46/813640346.db2.gz DLXAKJUHAPULHC-WCBMZHEXSA-N 1 0 267.350 2.105 20 10 CECDRO CN(C)C1(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000397892888 813644986 /nfs/dbraw/zinc/64/49/86/813644986.db2.gz PMIXOOUEGOYSJQ-UHFFFAOYSA-N 1 0 254.761 2.229 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCOC(F)(F)F)cc1 ZINC000398199964 813661328 /nfs/dbraw/zinc/66/13/28/813661328.db2.gz XMMJXOWUDYERDM-UHFFFAOYSA-N 1 0 262.275 2.379 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1O ZINC000398774040 813683449 /nfs/dbraw/zinc/68/34/49/813683449.db2.gz BCDLTAGMJSOHOC-PWSUYJOCSA-N 1 0 295.354 2.184 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCCOC[C@@H]2C)c1 ZINC000398962107 813689368 /nfs/dbraw/zinc/68/93/68/813689368.db2.gz ZXAVOKYOEMOLRK-NSHDSACASA-N 1 0 251.326 2.012 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c1O ZINC000399380158 813710300 /nfs/dbraw/zinc/71/03/00/813710300.db2.gz WHZCRXPGFYUQLV-RNCFNFMXSA-N 1 0 281.327 2.079 20 10 CECDRO Oc1cc(O)c(C[NH+]2CCC(OC3CCC3)CC2)c(O)c1 ZINC001144504494 814092795 /nfs/dbraw/zinc/09/27/95/814092795.db2.gz RVLACEAJYGSNEB-UHFFFAOYSA-N 1 0 293.363 2.337 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001144509238 814097574 /nfs/dbraw/zinc/09/75/74/814097574.db2.gz QALVLRCGGWZLPL-SSDOTTSWSA-N 1 0 277.242 2.188 20 10 CECDRO CC[NH+](CC)[C@@H]1CCN(Cc2c(O)cccc2F)C1 ZINC001137838729 815695463 /nfs/dbraw/zinc/69/54/63/815695463.db2.gz JFKUOSJZNLZBDU-GFCCVEGCSA-N 1 0 266.360 2.447 20 10 CECDRO CN(CC[NH+]1CCCC1)Cc1c(O)cccc1F ZINC001137839045 815695712 /nfs/dbraw/zinc/69/57/12/815695712.db2.gz PFGWHFUWWZRENJ-UHFFFAOYSA-N 1 0 252.333 2.059 20 10 CECDRO Cc1c(CN2CC([NH+](C)C)C2)c2ccccc2n1C ZINC001138252389 815754707 /nfs/dbraw/zinc/75/47/07/815754707.db2.gz FIXZZXINRPPBGV-UHFFFAOYSA-N 1 0 257.381 2.233 20 10 CECDRO Cc1c(C[NH+]2CC(C(=O)N(C)C)C2)c2ccccc2n1C ZINC001138257023 815756161 /nfs/dbraw/zinc/75/61/61/815756161.db2.gz SIRXOCQWGXVPIR-UHFFFAOYSA-N 1 0 285.391 2.007 20 10 CECDRO Cc1c(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)c2ccccc2n1C ZINC001138258404 815756640 /nfs/dbraw/zinc/75/66/40/815756640.db2.gz RPVPEPPEOCQZPO-CYBMUJFWSA-N 1 0 299.374 2.123 20 10 CECDRO CC(=O)[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359589 815777579 /nfs/dbraw/zinc/77/75/79/815777579.db2.gz UZONTVDBGPPRFC-INIZCTEOSA-N 1 0 272.392 2.480 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1)c1ccccc1O ZINC001173755015 815811314 /nfs/dbraw/zinc/81/13/14/815811314.db2.gz FWZNBLHHGMSPSS-JHJVBQTASA-N 1 0 287.367 2.213 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH+]1CC2CC(C2)C1 ZINC001138499221 815815558 /nfs/dbraw/zinc/81/55/58/815815558.db2.gz FLDRNTXKRFKPQR-UHFFFAOYSA-N 1 0 272.392 2.365 20 10 CECDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC001140060094 816180709 /nfs/dbraw/zinc/18/07/09/816180709.db2.gz KKMQVOYVFHGTCI-AWEZNQCLSA-N 1 0 266.360 2.446 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001140063716 816182881 /nfs/dbraw/zinc/18/28/81/816182881.db2.gz WWNMXGTVBPDQMD-YGRLFVJLSA-N 1 0 251.301 2.142 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)ccc(C)c2O)CC12CC2 ZINC001140184890 816205359 /nfs/dbraw/zinc/20/53/59/816205359.db2.gz JMHCQSMZBHZXAW-CQSZACIVSA-N 1 0 289.375 2.394 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCN(c3ccncn3)CC2)c1O ZINC001140184036 816205773 /nfs/dbraw/zinc/20/57/73/816205773.db2.gz KTEIBMDKDHAQNJ-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO O=C1NCC[C@@]12CCC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140338444 816238405 /nfs/dbraw/zinc/23/84/05/816238405.db2.gz JELODPZMXWCTOW-OAHLLOKOSA-N 1 0 294.782 2.148 20 10 CECDRO CC[N@H+](CCN1CCOCC1)Cc1ccc(Cl)cc1O ZINC001140465050 816260942 /nfs/dbraw/zinc/26/09/42/816260942.db2.gz GGNSGGSMHMFDMH-UHFFFAOYSA-N 1 0 298.814 2.200 20 10 CECDRO Cc1c(O)ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1O ZINC001140746215 816340940 /nfs/dbraw/zinc/34/09/40/816340940.db2.gz WBFIEDLFMQTTTG-CQSZACIVSA-N 1 0 276.380 2.076 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@H]2C)c(O)c1 ZINC001140850700 816383495 /nfs/dbraw/zinc/38/34/95/816383495.db2.gz RGMIVTOTLANXBN-ZDUSSCGKSA-N 1 0 278.396 2.459 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(Cl)c1 ZINC001140922504 816410828 /nfs/dbraw/zinc/41/08/28/816410828.db2.gz RVSZPEADBNZNSE-BETUJISGSA-N 1 0 280.799 2.484 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)c(O)c1 ZINC001140957981 816425996 /nfs/dbraw/zinc/42/59/96/816425996.db2.gz OSOZNKYHRZABDG-ZFWWWQNUSA-N 1 0 260.381 2.227 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c(OC)c1 ZINC001141032317 816453037 /nfs/dbraw/zinc/45/30/37/816453037.db2.gz XYSZINKVQTVDMG-FZMZJTMJSA-N 1 0 295.379 2.002 20 10 CECDRO CN1CCOc2cc(CN3CC[N@H+](C)C(C)(C)C3)ccc21 ZINC001141143538 816485275 /nfs/dbraw/zinc/48/52/75/816485275.db2.gz CXUBPFKFECKBSL-UHFFFAOYSA-N 1 0 289.423 2.041 20 10 CECDRO CC1(C)C[N@H+](Cc2cc(O)ccc2O)[C@](C)(CO)C1 ZINC001141156502 816490717 /nfs/dbraw/zinc/49/07/17/816490717.db2.gz MHAIGOISIQOXAY-HNNXBMFYSA-N 1 0 265.353 2.081 20 10 CECDRO CCOCC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141160953 816492363 /nfs/dbraw/zinc/49/23/63/816492363.db2.gz KUNYDXWZGAYRBN-UHFFFAOYSA-N 1 0 265.353 2.346 20 10 CECDRO CCCCOC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162706 816492409 /nfs/dbraw/zinc/49/24/09/816492409.db2.gz ANEOJTMZEKEALU-GFCCVEGCSA-N 1 0 293.363 2.263 20 10 CECDRO CC1(C)C[NH+](Cc2cc(O)ccc2O)CC(C)(C)O1 ZINC001141162307 816492492 /nfs/dbraw/zinc/49/24/92/816492492.db2.gz OTBAGGLCHYYPBZ-UHFFFAOYSA-N 1 0 265.353 2.487 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nncn2C)c(O)c1 ZINC000037016331 361882981 /nfs/dbraw/zinc/88/29/81/361882981.db2.gz XQLGGOPIOYJTTG-WDEREUQCSA-N 1 0 260.341 2.241 20 10 CECDRO CC(C)OCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879577 362126885 /nfs/dbraw/zinc/12/68/85/362126885.db2.gz YPOPWJUIXAUNNY-UHFFFAOYSA-N 1 0 267.325 2.026 20 10 CECDRO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000178710450 539293209 /nfs/dbraw/zinc/29/32/09/539293209.db2.gz DDKPTMYUAYKWHA-GJZGRUSLSA-N 1 0 287.407 2.030 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1O ZINC000237208503 344600270 /nfs/dbraw/zinc/60/02/70/344600270.db2.gz LLNVDHNIAQKQJK-HNNXBMFYSA-N 1 0 287.359 2.094 20 10 CECDRO COc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000134121646 366288204 /nfs/dbraw/zinc/28/82/04/366288204.db2.gz OLTLCDOUODBJIU-OAHLLOKOSA-N 1 0 290.407 2.461 20 10 CECDRO COc1cccc(C[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000134155752 366292740 /nfs/dbraw/zinc/29/27/40/366292740.db2.gz RUFXKWSBZMKNBS-NSHDSACASA-N 1 0 251.326 2.012 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000091855631 364073144 /nfs/dbraw/zinc/07/31/44/364073144.db2.gz QHLHAPBHPGJOGN-JKSUJKDBSA-N 1 0 292.448 2.459 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)c1O ZINC000092967973 364125343 /nfs/dbraw/zinc/12/53/43/364125343.db2.gz MHTQBLIHZASCHB-AWEZNQCLSA-N 1 0 287.363 2.434 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000093479868 364190019 /nfs/dbraw/zinc/19/00/19/364190019.db2.gz APPHBWIBSWJOFT-OCZCAGDBSA-N 1 0 261.365 2.293 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])C(C)C)cc1F ZINC000167742372 367342514 /nfs/dbraw/zinc/34/25/14/367342514.db2.gz PXVSETRGMDFFGZ-HNNXBMFYSA-N 1 0 295.402 2.271 20 10 CECDRO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000168515839 367354713 /nfs/dbraw/zinc/35/47/13/367354713.db2.gz IRNMNHHTHYJJGL-PZROIBLQSA-N 1 0 268.426 2.170 20 10 CECDRO CCC[C@@H]1C[N@H+](Cc2ccccc2O)CCN1CCOC ZINC000179585242 368342937 /nfs/dbraw/zinc/34/29/37/368342937.db2.gz YPSBLIMUXPSBOX-MRXNPFEDSA-N 1 0 292.423 2.325 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc(N(C)C)cc1 ZINC000269056276 296148398 /nfs/dbraw/zinc/14/83/98/296148398.db2.gz WUQBDPZFDWTDLT-QWHCGFSZSA-N 1 0 273.384 2.083 20 10 CECDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(F)ccc1O ZINC000191674260 369732739 /nfs/dbraw/zinc/73/27/39/369732739.db2.gz MHPRNXJMKIWPBL-YVLXSGLVSA-N 1 0 293.338 2.305 20 10 CECDRO C[C@@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)c2c(O)cccc21 ZINC000638317612 370442660 /nfs/dbraw/zinc/44/26/60/370442660.db2.gz MLVJHBZSRXJFEB-PWSUYJOCSA-N 1 0 272.348 2.280 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000249874330 371369058 /nfs/dbraw/zinc/36/90/58/371369058.db2.gz GRBRRFOVURUJBQ-GUTXKFCHSA-N 1 0 263.337 2.058 20 10 CECDRO CCOC[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000265062961 372012846 /nfs/dbraw/zinc/01/28/46/372012846.db2.gz ZFQQMBOEDYVVFQ-QGZVFWFLSA-N 1 0 292.423 2.114 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](CCO)COC)cc1 ZINC000268995710 372308790 /nfs/dbraw/zinc/30/87/90/372308790.db2.gz IHPWXTVHGRSLDK-HIFRSBDPSA-N 1 0 280.412 2.191 20 10 CECDRO CCOCc1cc(C[NH2+]C(C)(C)[C@H](C)O)ccc1OC ZINC000270550148 372839954 /nfs/dbraw/zinc/83/99/54/372839954.db2.gz BIBINRVOSDZQCH-LBPRGKRZSA-N 1 0 281.396 2.481 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271097750 373117485 /nfs/dbraw/zinc/11/74/85/373117485.db2.gz NQMNYWJIXHAOIP-SECBINFHSA-N 1 0 269.728 2.041 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)C2)c(O)c1 ZINC000271114084 373127731 /nfs/dbraw/zinc/12/77/31/373127731.db2.gz VPGSQUXGOBAZJG-ZDUSSCGKSA-N 1 0 293.363 2.176 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1 ZINC000271243657 373183859 /nfs/dbraw/zinc/18/38/59/373183859.db2.gz GOKUTTBQEJZCTI-GOEBONIOSA-N 1 0 262.397 2.345 20 10 CECDRO CCCOc1ccc(C[N@@H+]2C[C@H](O)[C@H](CC)C2)c(O)c1 ZINC000271279568 373187481 /nfs/dbraw/zinc/18/74/81/373187481.db2.gz LTBPWZQOCBBGRX-WBMJQRKESA-N 1 0 279.380 2.384 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1F ZINC000272661933 373604246 /nfs/dbraw/zinc/60/42/46/373604246.db2.gz ROGNXQDOMWYEJP-YOEHRIQHSA-N 1 0 291.414 2.418 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(OC)c2O)CC1(C)C ZINC000371458593 373889074 /nfs/dbraw/zinc/88/90/74/373889074.db2.gz LGFLJOZOKJWHEL-GFCCVEGCSA-N 1 0 293.363 2.032 20 10 CECDRO Cc1cc(C(=O)N[C@H](C)C[NH3+])c(C)n1-c1cccc(C)c1 ZINC000274457152 373928911 /nfs/dbraw/zinc/92/89/11/373928911.db2.gz UIFWWEKEQLYHMA-GFCCVEGCSA-N 1 0 285.391 2.480 20 10 CECDRO CC[C@H](c1ccccc1O)N1CCO[C@@H](CC(=O)OC)C1 ZINC000372568305 374159863 /nfs/dbraw/zinc/15/98/63/374159863.db2.gz HLPFVWWIOBYCES-GXTWGEPZSA-N 1 0 293.363 2.107 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000281113789 375355493 /nfs/dbraw/zinc/35/54/93/375355493.db2.gz BNDDLWOFBFTNRH-LBPRGKRZSA-N 1 0 279.336 2.122 20 10 CECDRO CCCC[N@H+](CCCS(C)(=O)=O)Cc1ccccc1O ZINC000282564130 375519221 /nfs/dbraw/zinc/51/92/21/375519221.db2.gz YSJMSCKXUSEYLH-UHFFFAOYSA-N 1 0 299.436 2.429 20 10 CECDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1ccccc1O ZINC000284404818 375827063 /nfs/dbraw/zinc/82/70/63/375827063.db2.gz PYWXULUBIKXCAW-HUBLWGQQSA-N 1 0 281.396 2.201 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c(O)c1 ZINC000285447665 375837330 /nfs/dbraw/zinc/83/73/30/375837330.db2.gz ZHXVNIJRWSBLMV-ZENOOKHLSA-N 1 0 279.380 2.200 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)c(O)c1 ZINC000285366485 375838047 /nfs/dbraw/zinc/83/80/47/375838047.db2.gz VUMKVGLTAOAZOP-NEPJUHHUSA-N 1 0 282.359 2.134 20 10 CECDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000285450451 375838887 /nfs/dbraw/zinc/83/88/87/375838887.db2.gz SNZVVZRPDVSUDX-BETUJISGSA-N 1 0 281.327 2.343 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(=O)[nH]n1 ZINC000285876794 375843284 /nfs/dbraw/zinc/84/32/84/375843284.db2.gz ZFFXVGFZJCPRER-CYBMUJFWSA-N 1 0 298.390 2.221 20 10 CECDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCOC1 ZINC000294480390 377990689 /nfs/dbraw/zinc/99/06/89/377990689.db2.gz ZYCAOZMLUNOCOW-MRVPVSSYSA-N 1 0 259.708 2.311 20 10 CECDRO Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000294764986 378018709 /nfs/dbraw/zinc/01/87/09/378018709.db2.gz MCDUTFQNRRBCEI-GDLCADMTSA-N 1 0 259.353 2.128 20 10 CECDRO COc1ccc(CC[NH2+]Cc2cccc(OC)c2O)cn1 ZINC000527793570 379815492 /nfs/dbraw/zinc/81/54/92/379815492.db2.gz MHZKISVEQPTZBB-UHFFFAOYSA-N 1 0 288.347 2.137 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1 ZINC000529667919 380183527 /nfs/dbraw/zinc/18/35/27/380183527.db2.gz BNZVELHFXPTMAE-DDIVZENXSA-N 1 0 265.353 2.302 20 10 CECDRO CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000034837390 134783553 /nfs/dbraw/zinc/78/35/53/134783553.db2.gz UUYRQJRGLNIDFD-NSHDSACASA-N 1 0 252.333 2.333 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2ccco2)c1 ZINC000266134889 394659819 /nfs/dbraw/zinc/65/98/19/394659819.db2.gz FGHROITZQFPODF-OAHLLOKOSA-N 1 0 261.321 2.291 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)c1 ZINC000093813972 394668109 /nfs/dbraw/zinc/66/81/09/394668109.db2.gz JWGYHKALADFLAM-INIZCTEOSA-N 1 0 293.363 2.176 20 10 CECDRO CN(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000109770821 394735197 /nfs/dbraw/zinc/73/51/97/394735197.db2.gz XDPLWIMGYFYBRA-UHFFFAOYSA-N 1 0 298.386 2.483 20 10 CECDRO CN(Cc1nc(C2CC2)no1)Cc1ccccc1O ZINC000109770364 394735248 /nfs/dbraw/zinc/73/52/48/394735248.db2.gz HBHAMRALIHTGBW-UHFFFAOYSA-N 1 0 259.309 2.285 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)CC[S@](C)=O)c1O ZINC000125566814 394843912 /nfs/dbraw/zinc/84/39/12/394843912.db2.gz BGCMNPWYVLVSIQ-NSPYISDASA-N 1 0 285.409 2.038 20 10 CECDRO CCOc1cccc(C[NH+]2CCC(OC)CC2)c1O ZINC000132148167 394924955 /nfs/dbraw/zinc/92/49/55/394924955.db2.gz KKGGNTMJFDWQEF-UHFFFAOYSA-N 1 0 265.353 2.402 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1 ZINC000365835674 394933899 /nfs/dbraw/zinc/93/38/99/394933899.db2.gz UWQORKKCZTWWDK-UHFFFAOYSA-N 1 0 288.391 2.145 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@]2(CCCOC2)O1 ZINC000373634444 395063771 /nfs/dbraw/zinc/06/37/71/395063771.db2.gz FAWQULBBIYKYFV-LRDDRELGSA-N 1 0 295.354 2.301 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000376169033 395110766 /nfs/dbraw/zinc/11/07/66/395110766.db2.gz ZKWJZDLBLLZENJ-UHFFFAOYSA-N 1 0 276.315 2.029 20 10 CECDRO CCn1nncc1C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000418022705 395170686 /nfs/dbraw/zinc/17/06/86/395170686.db2.gz AXWWLLFPGQLROB-UHFFFAOYSA-N 1 0 283.379 2.388 20 10 CECDRO Cc1cccc(C[NH+]2CCN(Cc3cccnc3)CC2)c1O ZINC000182054364 395230815 /nfs/dbraw/zinc/23/08/15/395230815.db2.gz KFRYWYNTJQSDIK-UHFFFAOYSA-N 1 0 297.402 2.413 20 10 CECDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293395993 395233257 /nfs/dbraw/zinc/23/32/57/395233257.db2.gz HEEXBYDRXNTHTM-ZDUSSCGKSA-N 1 0 278.396 2.302 20 10 CECDRO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179565458 395194878 /nfs/dbraw/zinc/19/48/78/395194878.db2.gz NATMZWNRCPWXFK-ZDUSSCGKSA-N 1 0 292.379 2.491 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187761257 395305447 /nfs/dbraw/zinc/30/54/47/395305447.db2.gz HXFPLFGTRYUNIV-UWVGGRQHSA-N 1 0 298.333 2.332 20 10 CECDRO C[C@@H]([NH2+]CCSCCCO)c1ccccc1O ZINC000183498830 395257862 /nfs/dbraw/zinc/25/78/62/395257862.db2.gz GUOLSBKOTVZZOQ-LLVKDONJSA-N 1 0 255.383 2.158 20 10 CECDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(F)ccc1O ZINC000293951516 395259185 /nfs/dbraw/zinc/25/91/85/395259185.db2.gz IUQOZPNDBNFQRZ-QMTHXVAHSA-N 1 0 253.317 2.172 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000183565307 395259635 /nfs/dbraw/zinc/25/96/35/395259635.db2.gz NAKMHBUUNRDXIB-NEPJUHHUSA-N 1 0 262.353 2.054 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccnn1C ZINC000192246849 395378214 /nfs/dbraw/zinc/37/82/14/395378214.db2.gz LYSNYTHIHGDULQ-LBPRGKRZSA-N 1 0 258.369 2.337 20 10 CECDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000193493916 395410088 /nfs/dbraw/zinc/41/00/88/395410088.db2.gz CPULOKWYTGZIDT-GXSJLCMTSA-N 1 0 283.755 2.477 20 10 CECDRO COc1ccc(O)c(C[N@H+](CC2CCC2)[C@@H](C)CO)c1 ZINC000289537140 286338232 /nfs/dbraw/zinc/33/82/32/286338232.db2.gz QFEMIWNYVAKSSL-LBPRGKRZSA-N 1 0 279.380 2.384 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297794716 286713849 /nfs/dbraw/zinc/71/38/49/286713849.db2.gz QBMMJPIAADOBRT-UFGOTCBOSA-N 1 0 267.394 2.082 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccccc1O ZINC000156689506 261129400 /nfs/dbraw/zinc/12/94/00/261129400.db2.gz KHHFQEYNAPNFDA-SMDDNHRTSA-N 1 0 274.364 2.196 20 10 CECDRO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000164322492 261348261 /nfs/dbraw/zinc/34/82/61/261348261.db2.gz KADQILYULBMEFG-BDAKNGLRSA-N 1 0 288.185 2.261 20 10 CECDRO C[C@H](CC(=O)N(C)C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177975023 261372914 /nfs/dbraw/zinc/37/29/14/261372914.db2.gz LTASMXYYHVYKBV-CQSZACIVSA-N 1 0 289.423 2.243 20 10 CECDRO C[C@@H](CCCO)[NH2+]Cc1cc(Br)ccc1O ZINC000165848127 261378188 /nfs/dbraw/zinc/37/81/88/261378188.db2.gz NAVZEDVYQNXICM-VIFPVBQESA-N 1 0 288.185 2.405 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cc(Cl)ccc1O ZINC000184982064 262036030 /nfs/dbraw/zinc/03/60/30/262036030.db2.gz MCLWOCXWDZAYEF-JOYOIKCWSA-N 1 0 282.771 2.365 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000185787715 262070727 /nfs/dbraw/zinc/07/07/27/262070727.db2.gz OUNCJKXXZXSYOU-QWHCGFSZSA-N 1 0 276.380 2.362 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000185787737 262070926 /nfs/dbraw/zinc/07/09/26/262070926.db2.gz OUNCJKXXZXSYOU-OLZOCXBDSA-N 1 0 276.380 2.362 20 10 CECDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186029799 262076161 /nfs/dbraw/zinc/07/61/61/262076161.db2.gz ZMOCEMRNESHUQO-RYUDHWBXSA-N 1 0 285.409 2.174 20 10 CECDRO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Cl)ccc1O ZINC000186220145 262084369 /nfs/dbraw/zinc/08/43/69/262084369.db2.gz OAZPOXWLKGUMDC-QMMMGPOBSA-N 1 0 270.760 2.208 20 10 CECDRO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000186539917 262098145 /nfs/dbraw/zinc/09/81/45/262098145.db2.gz AWTZBLQBXKHZEZ-GSRNSYJJSA-N 1 0 275.801 2.463 20 10 CECDRO Oc1cccc(Cl)c1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219803436 262350692 /nfs/dbraw/zinc/35/06/92/262350692.db2.gz ZXRQOEYLIVQYCS-GXFFZTMASA-N 1 0 266.772 2.229 20 10 CECDRO Oc1ccccc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293604505 263144223 /nfs/dbraw/zinc/14/42/23/263144223.db2.gz JNKUEAJDPACHRH-UHFFFAOYSA-N 1 0 263.337 2.121 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C2([NH3+])CCC2)cc1F ZINC000296112146 263185831 /nfs/dbraw/zinc/18/58/31/263185831.db2.gz SKZZJGVWOZVEFH-UHFFFAOYSA-N 1 0 293.386 2.170 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000367681117 267108607 /nfs/dbraw/zinc/10/86/07/267108607.db2.gz CNRQHKBJZHCBQU-UXIGCNINSA-N 1 0 293.363 2.106 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000367839869 267121157 /nfs/dbraw/zinc/12/11/57/267121157.db2.gz NRTUOJDIJYSEIA-FVQHAEBGSA-N 1 0 274.408 2.203 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000368043500 267141236 /nfs/dbraw/zinc/14/12/36/267141236.db2.gz QBBRMMIKTAWDKT-RYUDHWBXSA-N 1 0 277.364 2.430 20 10 CECDRO O=C1NC[C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CC[C@@H]12 ZINC000368214843 267153017 /nfs/dbraw/zinc/15/30/17/267153017.db2.gz HIXONSZFGZNYKW-UKRRQHHQSA-N 1 0 296.370 2.113 20 10 CECDRO O=C1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H](C2CC2)N1 ZINC000370285887 267306575 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Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)c(O)c1C ZINC000527959836 313221229 /nfs/dbraw/zinc/22/12/29/313221229.db2.gz ZIILHJPCHHQMQN-QEJZJMRPSA-N 1 0 279.380 2.200 20 10 CECDRO CO[C@@H](C)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000264948788 328163420 /nfs/dbraw/zinc/16/34/20/328163420.db2.gz JUKBUXOQIZPPRL-NSHDSACASA-N 1 0 254.349 2.406 20 10 CECDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccccc1O ZINC000272861336 328201090 /nfs/dbraw/zinc/20/10/90/328201090.db2.gz MXZVZROCIBONSB-KWQFWETISA-N 1 0 263.259 2.356 20 10 CECDRO COc1cccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1O ZINC000273090081 328203981 /nfs/dbraw/zinc/20/39/81/328203981.db2.gz KUWKAAOCLHJROT-HOTGVXAUSA-N 1 0 277.364 2.448 20 10 CECDRO COc1cccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1O ZINC000273090085 328204018 /nfs/dbraw/zinc/20/40/18/328204018.db2.gz KUWKAAOCLHJROT-JKSUJKDBSA-N 1 0 277.364 2.448 20 10 CECDRO COc1ccc(O)c(C[N@H+](C(C)C)C2COC2)c1 ZINC000296196595 328289320 /nfs/dbraw/zinc/28/93/20/328289320.db2.gz YWNGMYGLFGFIKY-UHFFFAOYSA-N 1 0 251.326 2.010 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1 ZINC000294002336 327194573 /nfs/dbraw/zinc/19/45/73/327194573.db2.gz MHLSOKBPUJHNHG-XHDPSFHLSA-N 1 0 265.353 2.042 20 10 CECDRO Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000377304984 329010743 /nfs/dbraw/zinc/01/07/43/329010743.db2.gz PXGZPUKQJFNHCM-RISCZKNCSA-N 1 0 259.353 2.082 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000377709400 329026453 /nfs/dbraw/zinc/02/64/53/329026453.db2.gz YVMQGJYUPPSPBE-HOCLYGCPSA-N 1 0 277.364 2.080 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c1 ZINC000378129362 329041037 /nfs/dbraw/zinc/04/10/37/329041037.db2.gz MDDDXJRNMAIRNC-MRXNPFEDSA-N 1 0 279.380 2.241 20 10 CECDRO CC(C)[C@]1(CO)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000378140097 329041214 /nfs/dbraw/zinc/04/12/14/329041214.db2.gz YNXMQFBAYJWPRW-OAHLLOKOSA-N 1 0 267.344 2.372 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC000378474280 329052132 /nfs/dbraw/zinc/05/21/32/329052132.db2.gz MQWNLHDTQMKYOF-DZGCQCFKSA-N 1 0 260.381 2.227 20 10 CECDRO COC[C@H](C)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228672591 329344446 /nfs/dbraw/zinc/34/44/46/329344446.db2.gz KJCGVIXZSGPSJS-SECBINFHSA-N 1 0 273.760 2.426 20 10 CECDRO CN1CCc2cc(C[NH2+][C@@H]3C[C@H]4OCCC[C@H]34)ccc21 ZINC000187757541 329360451 /nfs/dbraw/zinc/36/04/51/329360451.db2.gz UGTKRYDGRZNCDX-BFYDXBDKSA-N 1 0 272.392 2.336 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@@H](C)CO)CC2)cc1 ZINC000305131938 329536120 /nfs/dbraw/zinc/53/61/20/329536120.db2.gz NETHOEQIAHHIMV-KBPBESRZSA-N 1 0 292.423 2.271 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@@](C)(OC)C2)c1O ZINC000230300016 333316036 /nfs/dbraw/zinc/31/60/36/333316036.db2.gz WTJLJSYQTNFWQI-OAHLLOKOSA-N 1 0 265.353 2.402 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2nnc3ccccn32)c1 ZINC000237362536 333379029 /nfs/dbraw/zinc/37/90/29/333379029.db2.gz TUIMGEYALBAUIT-NSHDSACASA-N 1 0 298.346 2.294 20 10 CECDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000529668474 333504741 /nfs/dbraw/zinc/50/47/41/333504741.db2.gz GHOABQDYDPCGAD-PUXPGTEJSA-N 1 0 253.317 2.433 20 10 CECDRO Oc1cccc2c1[C@@H](N[C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530217565 333528582 /nfs/dbraw/zinc/52/85/82/333528582.db2.gz UAVNJYAOGDBZSK-JSGCOSHPSA-N 1 0 258.365 2.254 20 10 CECDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000281587933 521811717 /nfs/dbraw/zinc/81/17/17/521811717.db2.gz LMJNZTBEWUDCCL-ONGXEEELSA-N 1 0 273.760 2.094 20 10 CECDRO CCOCc1cc(C[NH2+]CCc2cn[nH]c2)ccc1OC ZINC000289746113 520184745 /nfs/dbraw/zinc/18/47/45/520184745.db2.gz HECXCQICWLPSLL-UHFFFAOYSA-N 1 0 289.379 2.287 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000188045407 520214464 /nfs/dbraw/zinc/21/44/64/520214464.db2.gz IDLDYZRNTCGIPX-JTQLQIEISA-N 1 0 284.787 2.310 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CO)CCOC)cc1 ZINC000281553930 520290019 /nfs/dbraw/zinc/29/00/19/520290019.db2.gz JKHHXIMKZVLEJF-ZFWWWQNUSA-N 1 0 280.412 2.191 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)c(O)c1 ZINC000289816633 520348374 /nfs/dbraw/zinc/34/83/74/520348374.db2.gz NWTOFVALOGCRGU-INIZCTEOSA-N 1 0 297.370 2.477 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC(C)(C)O)cc1 ZINC000096480995 520906502 /nfs/dbraw/zinc/90/65/02/520906502.db2.gz WORYDYXXCJKLFG-UHFFFAOYSA-N 1 0 250.386 2.393 20 10 CECDRO CC[N@H+](CCC(=O)OC)Cc1c(O)cccc1Cl ZINC000130498299 520993216 /nfs/dbraw/zinc/99/32/16/520993216.db2.gz KLSYMGUQAKXTCV-UHFFFAOYSA-N 1 0 271.744 2.431 20 10 CECDRO CCOc1ccc(O)c(CN2CC[N@H+](CC)C[C@H]2C)c1 ZINC000289577968 521144411 /nfs/dbraw/zinc/14/44/11/521144411.db2.gz JVQBDGBTSMGZLS-CYBMUJFWSA-N 1 0 278.396 2.317 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC(O)(CC)CC)c1 ZINC000236866048 521151037 /nfs/dbraw/zinc/15/10/37/521151037.db2.gz OZZJHLBVDHFUCC-UHFFFAOYSA-N 1 0 267.369 2.432 20 10 CECDRO CCOc1cccc(C[NH2+]CCC[C@@H](C)O)c1O ZINC000227959759 521361414 /nfs/dbraw/zinc/36/14/14/521361414.db2.gz QIGGKAFDIYPRIF-LLVKDONJSA-N 1 0 253.342 2.042 20 10 CECDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000104136586 521598299 /nfs/dbraw/zinc/59/82/99/521598299.db2.gz WPELUGFCSZMHTF-INIZCTEOSA-N 1 0 289.423 2.243 20 10 CECDRO CCOC1CC(O)(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000278428579 521653333 /nfs/dbraw/zinc/65/33/33/521653333.db2.gz JEIXPBITXKTZNR-NVPAJSRCSA-N 1 0 292.423 2.333 20 10 CECDRO CCNC(=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CCC1 ZINC000277547743 521733429 /nfs/dbraw/zinc/73/34/29/521733429.db2.gz ZVMZZOXGBNTPJZ-UHFFFAOYSA-N 1 0 296.798 2.442 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(C3OCCO3)CC2)cc1 ZINC000130040169 522176609 /nfs/dbraw/zinc/17/66/09/522176609.db2.gz KOGDKHODTPKTFF-UHFFFAOYSA-N 1 0 290.407 2.338 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cc1 ZINC000258668337 522181398 /nfs/dbraw/zinc/18/13/98/522181398.db2.gz FIYJMESILUFERO-OAHLLOKOSA-N 1 0 262.397 2.345 20 10 CECDRO CN(C)c1ccc(CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1F ZINC000292687975 522183787 /nfs/dbraw/zinc/18/37/87/522183787.db2.gz BCWAGAMQYCTSJJ-KRWDZBQOSA-N 1 0 291.414 2.419 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000278757338 522365448 /nfs/dbraw/zinc/36/54/48/522365448.db2.gz WZOCXDAUIKYBJL-CVEARBPZSA-N 1 0 278.396 2.036 20 10 CECDRO CC[C@H]([NH2+]CCCOCCO)c1ccc(C)cc1O ZINC000280095473 522582668 /nfs/dbraw/zinc/58/26/68/522582668.db2.gz MSKZNLOHLRRPMB-AWEZNQCLSA-N 1 0 267.369 2.140 20 10 CECDRO CC[C@H]([NH2+]CCS(=O)(=O)C(C)C)c1ccccc1O ZINC000271664726 522597430 /nfs/dbraw/zinc/59/74/30/522597430.db2.gz FANJOSMXZSPXSE-ZDUSSCGKSA-N 1 0 285.409 2.256 20 10 CECDRO COC[C@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H]1CCCO1 ZINC000278659757 522759887 /nfs/dbraw/zinc/75/98/87/522759887.db2.gz FHZYLGQBHUXCRL-WHOFXGATSA-N 1 0 265.353 2.237 20 10 CECDRO COc1cc(O)c(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1OC ZINC000291049328 522768645 /nfs/dbraw/zinc/76/86/45/522768645.db2.gz GWNQJXQTBJFJFS-CYBMUJFWSA-N 1 0 295.379 2.409 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CCOC(C)(C)C2)cc1OC ZINC000127237234 522780892 /nfs/dbraw/zinc/78/08/92/522780892.db2.gz NTQLBHQMGYGABB-LBPRGKRZSA-N 1 0 295.379 2.457 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H](CO)C2CCCC2)cc1OC ZINC000291010238 522780922 /nfs/dbraw/zinc/78/09/22/522780922.db2.gz WTQOFIFUVFWOEL-CYBMUJFWSA-N 1 0 295.379 2.050 20 10 CECDRO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1ccc(C)cc1O ZINC000279975998 522816086 /nfs/dbraw/zinc/81/60/86/522816086.db2.gz DIITUHXCTHOMNP-CYBMUJFWSA-N 1 0 264.369 2.266 20 10 CECDRO CC[C@@H]([NH2+][C@H]1COC[C@@H]1OC)c1ccc(N(C)C)cc1 ZINC000290189059 522954438 /nfs/dbraw/zinc/95/44/38/522954438.db2.gz ODQMTVHIFBGAKE-PMPSAXMXSA-N 1 0 278.396 2.207 20 10 CECDRO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CC[C@H](O)CC1 ZINC000276106915 523181881 /nfs/dbraw/zinc/18/18/81/523181881.db2.gz XCUJMOSKZFMCIZ-JOCQHMNTSA-N 1 0 253.317 2.267 20 10 CECDRO COCCOCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037237439 523997141 /nfs/dbraw/zinc/99/71/41/523997141.db2.gz VWSIUHVPGAKZLP-AWEZNQCLSA-N 1 0 280.412 2.456 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)ccc1N(C)C ZINC000292941226 524686501 /nfs/dbraw/zinc/68/65/01/524686501.db2.gz BLJRJTCPSWZDFO-MRXNPFEDSA-N 1 0 299.422 2.490 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCCOCC2CC2)c1 ZINC000020191322 524750742 /nfs/dbraw/zinc/75/07/42/524750742.db2.gz CYLSFVFTGGNYPR-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000020124485 524753419 /nfs/dbraw/zinc/75/34/19/524753419.db2.gz LXBVVVJWOGHSIZ-UHFFFAOYSA-N 1 0 287.315 2.419 20 10 CECDRO C[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280288901 524805202 /nfs/dbraw/zinc/80/52/02/524805202.db2.gz NIVZUYFSYIQLNB-VIFPVBQESA-N 1 0 276.302 2.242 20 10 CECDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000289577770 525137868 /nfs/dbraw/zinc/13/78/68/525137868.db2.gz JUQFGTWXFJHZKC-MNOVXSKESA-N 1 0 253.317 2.294 20 10 CECDRO C[C@]1(O)CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000279703713 525305859 /nfs/dbraw/zinc/30/58/59/525305859.db2.gz RNWUOQNHWKYRIS-AWEZNQCLSA-N 1 0 253.317 2.268 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC000280574184 525347166 /nfs/dbraw/zinc/34/71/66/525347166.db2.gz WCOFVRXRIBNDPG-ZQIUZPCESA-N 1 0 291.391 2.469 20 10 CECDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1cc(F)ccc1O ZINC000094617082 525400936 /nfs/dbraw/zinc/40/09/36/525400936.db2.gz AQLHZAYEIVNBNK-SNVBAGLBSA-N 1 0 252.333 2.276 20 10 CECDRO C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000280912523 525404463 /nfs/dbraw/zinc/40/44/63/525404463.db2.gz QMTOJYQPHBVYFE-CWRNSKLLSA-N 1 0 292.423 2.048 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc(N(C)C)cc1 ZINC000097436156 525470177 /nfs/dbraw/zinc/47/01/77/525470177.db2.gz NZZXUXNTTYJURT-QWHCGFSZSA-N 1 0 250.386 2.422 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCOC1 ZINC000266189854 525525571 /nfs/dbraw/zinc/52/55/71/525525571.db2.gz YDSFSJJJVOPHJC-DGCLKSJQSA-N 1 0 266.360 2.406 20 10 CECDRO COc1cccc(C[N@H+](C)CCCn2ccnc2)c1O ZINC000290328777 525914122 /nfs/dbraw/zinc/91/41/22/525914122.db2.gz DNRCVZHJXAWYKS-UHFFFAOYSA-N 1 0 275.352 2.119 20 10 CECDRO COc1cccc(C[NH2+][C@H](CO)c2ccc(F)cc2)c1O ZINC000265256296 526037011 /nfs/dbraw/zinc/03/70/11/526037011.db2.gz PUUGYMVVIXAXKA-CQSZACIVSA-N 1 0 291.322 2.363 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000374271470 526347503 /nfs/dbraw/zinc/34/75/03/526347503.db2.gz ODQYZDXCZLCAEU-HIFRSBDPSA-N 1 0 297.782 2.473 20 10 CECDRO OCC1(C[NH2+]Cc2ccccc2O)CC2(CCC2)C1 ZINC000278564698 527523869 /nfs/dbraw/zinc/52/38/69/527523869.db2.gz CXMLWFHFTBYCMR-UHFFFAOYSA-N 1 0 261.365 2.425 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@@H](O)C(F)F ZINC000295071651 529184213 /nfs/dbraw/zinc/18/42/13/529184213.db2.gz PIEZKJMGJPLFAW-DGCLKSJQSA-N 1 0 273.323 2.498 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000756118337 574797167 /nfs/dbraw/zinc/79/71/67/574797167.db2.gz LZZSEFVHJQLXAQ-XJKSGUPXSA-N 1 0 261.413 2.101 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2COCCO2)cc1F ZINC000740004727 574938790 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CCC([NH3+])(CC)CNC(=O)N[C@H](C)c1ccccc1O ZINC000892036710 624267559 /nfs/dbraw/zinc/26/75/59/624267559.db2.gz NJVFTCOOOYZLLJ-LLVKDONJSA-N 1 0 279.384 2.270 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c(O)c1OC ZINC000893219446 628148068 /nfs/dbraw/zinc/14/80/68/628148068.db2.gz GYFPUSPFDZIJEW-ZYHUDNBSSA-N 1 0 281.352 2.067 20 10 CECDRO C[C@](O)(C[NH2+]Cc1c(O)cccc1Cl)C1CC1 ZINC000310433812 628291616 /nfs/dbraw/zinc/29/16/16/628291616.db2.gz QVPZOVFSYCOAKM-ZDUSSCGKSA-N 1 0 255.745 2.296 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C(C)(C)[C@H](C)O ZINC000840935900 628753822 /nfs/dbraw/zinc/75/38/22/628753822.db2.gz DLCRAOOIERDQGR-LBPRGKRZSA-N 1 0 250.386 2.310 20 10 CECDRO CO[C@@H]1C[N@H+](Cc2c(O)cc(C)cc2Cl)C[C@@H]1OC ZINC000840941736 628781900 /nfs/dbraw/zinc/78/19/00/628781900.db2.gz JQXSBVGCFSPRSV-OKILXGFUSA-N 1 0 285.771 2.200 20 10 CECDRO C[NH+]1CCN(c2ccc(CNC(=O)/C=C/C3CC3)cc2)CC1 ZINC000893608565 628787050 /nfs/dbraw/zinc/78/70/50/628787050.db2.gz WTLKUGVRAPVDNP-RMKNXTFCSA-N 1 0 299.418 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287.367 2.263 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCSC2)c1O ZINC000894315914 629347319 /nfs/dbraw/zinc/34/73/19/629347319.db2.gz NUWHGNXJXADIQF-NSHDSACASA-N 1 0 253.367 2.304 20 10 CECDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894386649 629418829 /nfs/dbraw/zinc/41/88/29/629418829.db2.gz KPXMEFDLQJBLHA-NEPJUHHUSA-N 1 0 294.395 2.102 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c1O ZINC000894458225 629471381 /nfs/dbraw/zinc/47/13/81/629471381.db2.gz OEYMSZCARLPADD-MQZQPLMUSA-N 1 0 289.375 2.304 20 10 CECDRO O[C@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000894464870 629475732 /nfs/dbraw/zinc/47/57/32/629475732.db2.gz HXTGULUJSNRYGW-CYBMUJFWSA-N 1 0 289.297 2.415 20 10 CECDRO COc1ccc(N2CC[C@@H](Nc3nc(N)cc(C)[nH+]3)C2)cc1 ZINC000894484110 629487811 /nfs/dbraw/zinc/48/78/11/629487811.db2.gz CFBTYIRMFHTDPJ-GFCCVEGCSA-N 1 0 299.378 2.067 20 10 CECDRO COc1ccc(C[NH2+]CC[C@@H](C)F)c(O)c1OC ZINC000894622757 629562956 /nfs/dbraw/zinc/56/29/56/629562956.db2.gz BZHDKMIRGNGDNQ-SECBINFHSA-N 1 0 257.305 2.247 20 10 CECDRO CCOc1cccc(C[NH2+]CCO[C@H]2CCCCO2)c1O ZINC000894801145 629647413 /nfs/dbraw/zinc/64/74/13/629647413.db2.gz WBCULWFDMQXHIT-HNNXBMFYSA-N 1 0 295.379 2.424 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](O)C2(C)C)c1O ZINC000894814350 629654780 /nfs/dbraw/zinc/65/47/80/629654780.db2.gz GTOYRBPIYCBQAQ-CYBMUJFWSA-N 1 0 265.353 2.054 20 10 CECDRO c1cc(N2CCCCC2)ccc1C[NH2+]C[C@H]1COCO1 ZINC000894868888 629705951 /nfs/dbraw/zinc/70/59/51/629705951.db2.gz MYYJVUUFVQHGNJ-INIZCTEOSA-N 1 0 276.380 2.139 20 10 CECDRO COc1cc(C)cc(C[NH+]2CC(C(F)F)C2)c1O ZINC000894977818 629779074 /nfs/dbraw/zinc/77/90/74/629779074.db2.gz XKIGJQXYKJKSCX-UHFFFAOYSA-N 1 0 257.280 2.406 20 10 CECDRO COc1cc(C)cc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c1O ZINC000895055683 629828759 /nfs/dbraw/zinc/82/87/59/629828759.db2.gz VJZJFILOHIUDSY-DZGCQCFKSA-N 1 0 290.407 2.235 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3CCC[C@@H]31)[C@H](O)CO2 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COc1cc(C)cc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1O ZINC000895259810 630066576 /nfs/dbraw/zinc/06/65/76/630066576.db2.gz NJMKUFOLYKLGJM-JYAVWHMHSA-N 1 0 279.380 2.158 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1O ZINC000895279761 630075270 /nfs/dbraw/zinc/07/52/70/630075270.db2.gz LHNASYPGBACHKE-KBPBESRZSA-N 1 0 277.364 2.102 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000895390935 630160106 /nfs/dbraw/zinc/16/01/06/630160106.db2.gz QMKBBUWIQUXLLL-ZDUSSCGKSA-N 1 0 291.347 2.061 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(N(C)C)CC1 ZINC000841889505 630161902 /nfs/dbraw/zinc/16/19/02/630161902.db2.gz BIKVMKGMDLTMOD-UHFFFAOYSA-N 1 0 261.413 2.245 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1O ZINC000895407104 630171532 /nfs/dbraw/zinc/17/15/32/630171532.db2.gz ZKBYJSQOYFRFAK-KBPBESRZSA-N 1 0 277.364 2.366 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000895459734 630202588 /nfs/dbraw/zinc/20/25/88/630202588.db2.gz HNBOMDFUJUJMDN-TUAOUCFPSA-N 1 0 263.337 2.385 20 10 CECDRO Cc1cccc(C[NH2+]CC(=O)N2CCc3ccccc32)c1O ZINC000895486329 630215985 /nfs/dbraw/zinc/21/59/85/630215985.db2.gz BMWZIRCTOXQOAB-UHFFFAOYSA-N 1 0 296.370 2.380 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000895749431 630324033 /nfs/dbraw/zinc/32/40/33/630324033.db2.gz QZPCZWFNOINWKT-DOTOQJQBSA-N 1 0 292.423 2.081 20 10 CECDRO Cc1cc(O)c(CN2CCCn3nncc3C2)c(Cl)c1 ZINC000895757899 630333691 /nfs/dbraw/zinc/33/36/91/630333691.db2.gz XVZAEKZPQQUNDX-UHFFFAOYSA-N 1 0 292.770 2.351 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2O)[C@H]1OC ZINC000895851975 630376878 /nfs/dbraw/zinc/37/68/78/630376878.db2.gz LXDPXNDOBLEKBS-PZTHBURQSA-N 1 0 265.353 2.235 20 10 CECDRO Cc1cccc(C[N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c1O ZINC000895919261 630403097 /nfs/dbraw/zinc/40/30/97/630403097.db2.gz DZTKFHKSXWQRBO-JHJVBQTASA-N 1 0 276.380 2.140 20 10 CECDRO CO[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000895969575 630422620 /nfs/dbraw/zinc/42/26/20/630422620.db2.gz NZDZYJNGWCNPDK-KRWDZBQOSA-N 1 0 290.407 2.482 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)c(O)c1 ZINC000896427952 630562589 /nfs/dbraw/zinc/56/25/89/630562589.db2.gz IVBMTUWAHOXXFU-HUUCEWRRSA-N 1 0 292.448 2.370 20 10 CECDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3ccc(C)cc3O)C[C@@H]21 ZINC000896443773 630567056 /nfs/dbraw/zinc/56/70/56/630567056.db2.gz CIAAAMFHMXQRJI-IJEWVQPXSA-N 1 0 289.375 2.332 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H](C)C(C)(C)OC)cc1OC ZINC000896610680 630609841 /nfs/dbraw/zinc/60/98/41/630609841.db2.gz QCRDSQYTLZWZKE-JTQLQIEISA-N 1 0 283.368 2.313 20 10 CECDRO [O-]c1cccc(F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000896636490 630620433 /nfs/dbraw/zinc/62/04/33/630620433.db2.gz DIWKUYKHRASDIA-RYUDHWBXSA-N 1 0 264.344 2.248 20 10 CECDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1c([O-])cccc1F ZINC000896637897 630621795 /nfs/dbraw/zinc/62/17/95/630621795.db2.gz QOLXOFWVFUNJHP-QWRGUYRKSA-N 1 0 253.317 2.436 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@]2(C)CCCCO2)c1 ZINC000896925404 630812966 /nfs/dbraw/zinc/81/29/66/630812966.db2.gz XHJIGSGARLFVBK-OAHLLOKOSA-N 1 0 265.353 2.450 20 10 CECDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726006 635486419 /nfs/dbraw/zinc/48/64/19/635486419.db2.gz DOFKJZIBHUKEAQ-LBPRGKRZSA-N 1 0 277.698 2.248 20 10 CECDRO CCOCc1cc(C[NH2+][C@H](CC)[C@H](C)O)ccc1OC ZINC000824921473 635525049 /nfs/dbraw/zinc/52/50/49/635525049.db2.gz MHLUECNHJJYKNO-SWLSCSKDSA-N 1 0 281.396 2.481 20 10 CECDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000825091010 635564214 /nfs/dbraw/zinc/56/42/14/635564214.db2.gz QYRCYHFRBVRMSQ-LBPRGKRZSA-N 1 0 293.363 2.104 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CC[C@@H](C3CC3)O1)OCO2 ZINC000897511710 631603179 /nfs/dbraw/zinc/60/31/79/631603179.db2.gz OVTQIHRRTFUUDP-JSGCOSHPSA-N 1 0 291.347 2.168 20 10 CECDRO CN(C)c1ccc([C@@H](CNc2ncccn2)[NH+](C)C)cc1 ZINC000897522366 631618451 /nfs/dbraw/zinc/61/84/51/631618451.db2.gz MTXJKAZLYBXEDZ-OAHLLOKOSA-N 1 0 285.395 2.257 20 10 CECDRO C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccccc1O ZINC000806178829 631724727 /nfs/dbraw/zinc/72/47/27/631724727.db2.gz JOIYHIZSTRVELO-GXTWGEPZSA-N 1 0 272.348 2.214 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c(Cl)c1 ZINC000897680813 631864830 /nfs/dbraw/zinc/86/48/30/631864830.db2.gz WNUGWKPDSAJYBD-ZANVPECISA-N 1 0 255.745 2.167 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1O ZINC000897681185 631865495 /nfs/dbraw/zinc/86/54/95/631865495.db2.gz YRUSVPLOFDNCNC-ABAIWWIYSA-N 1 0 257.333 2.358 20 10 CECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000840119551 631874718 /nfs/dbraw/zinc/87/47/18/631874718.db2.gz SFQKYHXJEPQAQC-HNNXBMFYSA-N 1 0 294.301 2.142 20 10 CECDRO COC(=O)C[C@H]([NH2+]Cc1cccc(OC)c1O)C(C)(C)C ZINC000897889254 631962766 /nfs/dbraw/zinc/96/27/66/631962766.db2.gz PKQJIVRBOIDDFF-ZDUSSCGKSA-N 1 0 295.379 2.468 20 10 CECDRO COC[C@@H](CCO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808697837 632003305 /nfs/dbraw/zinc/00/33/05/632003305.db2.gz WTCKVEBFYYLOHK-ZYHUDNBSSA-N 1 0 287.787 2.402 20 10 CECDRO OCCc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000898172466 632080531 /nfs/dbraw/zinc/08/05/31/632080531.db2.gz KCNVVPYHQWPRMG-UHFFFAOYSA-N 1 0 257.333 2.217 20 10 CECDRO CCOCc1cc(C[NH2+]CC[C@H](O)C2CC2)ccc1OC ZINC000898207038 632088103 /nfs/dbraw/zinc/08/81/03/632088103.db2.gz YVTASFJFQCIDCW-INIZCTEOSA-N 1 0 293.407 2.482 20 10 CECDRO Cc1cccc(CN(CC[NH+](C)C)C[C@H]2CCCO2)c1O ZINC000809738420 632135553 /nfs/dbraw/zinc/13/55/53/632135553.db2.gz XDFDBBKORZZTJE-MRXNPFEDSA-N 1 0 292.423 2.243 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c1O ZINC000898376514 632187884 /nfs/dbraw/zinc/18/78/84/632187884.db2.gz MGZSTGIOYMADCE-CABCVRRESA-N 1 0 261.365 2.469 20 10 CECDRO CCN1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)CC1=O ZINC000826064438 635754964 /nfs/dbraw/zinc/75/49/64/635754964.db2.gz KEADXWUGBGTTBJ-LLVKDONJSA-N 1 0 282.771 2.064 20 10 CECDRO CC[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(C)cc1O ZINC000927125571 632472962 /nfs/dbraw/zinc/47/29/62/632472962.db2.gz AEFLQSGFOYWOGQ-BBRMVZONSA-N 1 0 289.379 2.208 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000898387891 632478026 /nfs/dbraw/zinc/47/80/26/632478026.db2.gz UJZMUNHXIXTNJC-NVXWUHKLSA-N 1 0 269.344 2.449 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC000898394307 632479769 /nfs/dbraw/zinc/47/97/69/632479769.db2.gz ZAHMEFPSRBRARO-NVXWUHKLSA-N 1 0 269.344 2.449 20 10 CECDRO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCOC2)N(C)C)cc1 ZINC000898449702 632498873 /nfs/dbraw/zinc/49/88/73/632498873.db2.gz JJFVQNCWQPKDFW-DOTOQJQBSA-N 1 0 291.439 2.124 20 10 CECDRO Oc1ccccc1C[NH2+]CCOC1CCSCC1 ZINC000898442839 632500987 /nfs/dbraw/zinc/50/09/87/632500987.db2.gz SWGHJMUUNJKJCH-UHFFFAOYSA-N 1 0 267.394 2.394 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@H](n3cccn3)C2)c(O)cc1C ZINC000812296245 632504115 /nfs/dbraw/zinc/50/41/15/632504115.db2.gz MIQZXRLSRHEXTF-AWEZNQCLSA-N 1 0 287.363 2.353 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@](C)(OC)C1CC1 ZINC000812771980 632575124 /nfs/dbraw/zinc/57/51/24/632575124.db2.gz FKOGCIOLXYCLFL-OAHLLOKOSA-N 1 0 265.353 2.306 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c(O)c1 ZINC000812780322 632577226 /nfs/dbraw/zinc/57/72/26/632577226.db2.gz ACRCPZNIYQPBDY-CQSZACIVSA-N 1 0 287.363 2.434 20 10 CECDRO CC1(C)NC(=O)CC[C@H]1[NH2+]CCCSc1nccs1 ZINC000813857818 632748244 /nfs/dbraw/zinc/74/82/44/632748244.db2.gz NSTZPWLWAOYRHD-SNVBAGLBSA-N 1 0 299.465 2.272 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)c1O ZINC000814172896 632798066 /nfs/dbraw/zinc/79/80/66/632798066.db2.gz CTZLYCAHPNIHJV-ZWNOBZJWSA-N 1 0 296.798 2.190 20 10 CECDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc(Cl)ccc2O)C1 ZINC000814173223 632798911 /nfs/dbraw/zinc/79/89/11/632798911.db2.gz HZSCPGPUWAVGLY-GWCFXTLKSA-N 1 0 266.772 2.182 20 10 CECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000814300945 632821663 /nfs/dbraw/zinc/82/16/63/632821663.db2.gz NLEOZCQWPMVXCJ-CQSZACIVSA-N 1 0 291.439 2.395 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000814298580 632821701 /nfs/dbraw/zinc/82/17/01/632821701.db2.gz XNXDDVLZKGERCV-UHFFFAOYSA-N 1 0 280.331 2.263 20 10 CECDRO Cc1cc(C[N@H+](CCO)C2CCOCC2)ccc1N(C)C ZINC000815098404 632959210 /nfs/dbraw/zinc/95/92/10/632959210.db2.gz GIDQSVOFZGSTCW-UHFFFAOYSA-N 1 0 292.423 2.034 20 10 CECDRO CC[C@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816503008 633402372 /nfs/dbraw/zinc/40/23/72/633402372.db2.gz ZUHLOVHSWGSNEN-HNNXBMFYSA-N 1 0 284.359 2.256 20 10 CECDRO COC[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816549059 633409861 /nfs/dbraw/zinc/40/98/61/633409861.db2.gz BQSRJWKVKWXLCZ-MRXNPFEDSA-N 1 0 275.348 2.032 20 10 CECDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc2ccccc2c1O ZINC000816549837 633411072 /nfs/dbraw/zinc/41/10/72/633411072.db2.gz ZTNRDGKXQUPSMW-LLVKDONJSA-N 1 0 293.388 2.068 20 10 CECDRO CCOc1ccc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c(O)c1 ZINC000816653415 633457505 /nfs/dbraw/zinc/45/75/05/633457505.db2.gz QVZPMAWSNMMSJJ-BETUJISGSA-N 1 0 278.396 2.315 20 10 CECDRO Cc1cccc(C[NH+]2CCC(OC(=O)N(C)C)CC2)c1O ZINC000816655851 633457749 /nfs/dbraw/zinc/45/77/49/633457749.db2.gz VQDULNGXMQRHDL-UHFFFAOYSA-N 1 0 292.379 2.363 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000816914104 633485879 /nfs/dbraw/zinc/48/58/79/633485879.db2.gz DMXXPPBDBHFXJB-CQSZACIVSA-N 1 0 290.407 2.473 20 10 CECDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000817414638 633653072 /nfs/dbraw/zinc/65/30/72/633653072.db2.gz MZNRWTMUEKUBEU-SKDRFNHKSA-N 1 0 255.745 2.391 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)C2(OC)CCOCC2)c1O ZINC000817419142 633656355 /nfs/dbraw/zinc/65/63/55/633656355.db2.gz BVDAQNJNPSORGU-GFCCVEGCSA-N 1 0 295.379 2.075 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccccc1O ZINC000817586205 633702775 /nfs/dbraw/zinc/70/27/75/633702775.db2.gz LZCVUKMHHXWQND-AVGNSLFASA-N 1 0 276.380 2.335 20 10 CECDRO [NH3+][C@H]1CCCCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000817901283 633761102 /nfs/dbraw/zinc/76/11/02/633761102.db2.gz AQKZOKVDZOIHIH-LSDHHAIUSA-N 1 0 260.381 2.371 20 10 CECDRO C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817940166 633788473 /nfs/dbraw/zinc/78/84/73/633788473.db2.gz GLSNDXLGXMVTBO-JTQLQIEISA-N 1 0 252.333 2.182 20 10 CECDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCSc2nccs2)C1 ZINC000817940731 633788528 /nfs/dbraw/zinc/78/85/28/633788528.db2.gz KFVHONIOZJEUOA-GHMZBOCLSA-N 1 0 299.465 2.130 20 10 CECDRO COCCC[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817943502 633790404 /nfs/dbraw/zinc/79/04/04/633790404.db2.gz URNJIFYSOSYXLT-CJNGLKHVSA-N 1 0 279.428 2.157 20 10 CECDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000817942899 633790687 /nfs/dbraw/zinc/79/06/87/633790687.db2.gz RHUPOXDBRBVTNB-QRTARXTBSA-N 1 0 291.439 2.157 20 10 CECDRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1O ZINC000817952538 633797032 /nfs/dbraw/zinc/79/70/32/633797032.db2.gz RMZBOPIPBXVTON-KOLCDFICSA-N 1 0 254.761 2.448 20 10 CECDRO C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817955003 633798424 /nfs/dbraw/zinc/79/84/24/633798424.db2.gz OFRHNLUFYNEXMY-GHMZBOCLSA-N 1 0 252.333 2.182 20 10 CECDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccc(N)cc2)cn1 ZINC000817957687 633799640 /nfs/dbraw/zinc/79/96/40/633799640.db2.gz OCTOOGMEMFMDPK-ZDUSSCGKSA-N 1 0 285.391 2.436 20 10 CECDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1c(O)cccc1F ZINC000900670197 633801437 /nfs/dbraw/zinc/80/14/37/633801437.db2.gz WJABXUFMWGKBGJ-GFCCVEGCSA-N 1 0 294.370 2.412 20 10 CECDRO CC[C@H]([NH2+]CC1C[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817964725 633806084 /nfs/dbraw/zinc/80/60/84/633806084.db2.gz GGZQPYKJZZCTFD-LBPRGKRZSA-N 1 0 254.761 2.306 20 10 CECDRO C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817964533 633807178 /nfs/dbraw/zinc/80/71/78/633807178.db2.gz BZXGQFBYDDZJLN-KRTXAFLBSA-N 1 0 256.296 2.058 20 10 CECDRO COc1ccc(O)c([C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000817968996 633812122 /nfs/dbraw/zinc/81/21/22/633812122.db2.gz OVLWZZJZJJKZPK-COPLHBTASA-N 1 0 264.369 2.049 20 10 CECDRO CC[C@H](NC[C@]1(COC)CCC[NH2+]1)c1ccccc1O ZINC000817973368 633816710 /nfs/dbraw/zinc/81/67/10/633816710.db2.gz DSFRTBPRJLBPTI-HOCLYGCPSA-N 1 0 278.396 2.202 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)c(O)c1 ZINC000817976800 633820100 /nfs/dbraw/zinc/82/01/00/633820100.db2.gz ULDCZUWBKWSINN-AVGNSLFASA-N 1 0 266.360 2.360 20 10 CECDRO NC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCCC1 ZINC000817981694 633824222 /nfs/dbraw/zinc/82/42/22/633824222.db2.gz MPTMIPQYBZEZLJ-ZIAGYGMSSA-N 1 0 260.381 2.487 20 10 CECDRO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(C)ccc2O)n1 ZINC000818346010 633913998 /nfs/dbraw/zinc/91/39/98/633913998.db2.gz PUEFVOCLWBNGRY-LLVKDONJSA-N 1 0 274.368 2.471 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)COC(C)C)cc1 ZINC000818964875 634018330 /nfs/dbraw/zinc/01/83/30/634018330.db2.gz JYXLHZFKRPFNEV-QGZVFWFLSA-N 1 0 294.439 2.408 20 10 CECDRO CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818984875 634028937 /nfs/dbraw/zinc/02/89/37/634028937.db2.gz IPKMDWOWIXOEPM-CQSZACIVSA-N 1 0 298.402 2.157 20 10 CECDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CC(OC)C3)C2)cc1 ZINC000822494030 634931070 /nfs/dbraw/zinc/93/10/70/634931070.db2.gz DTNFZMZOEVGQDB-CBCUQQMYSA-N 1 0 290.407 2.289 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3OC)C2)cc1 ZINC000903198997 635009206 /nfs/dbraw/zinc/00/92/06/635009206.db2.gz IQTFZMFSBMWCSC-IAOVAPTHSA-N 1 0 290.407 2.431 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCCOCC2)c(O)c1 ZINC000903228144 635026627 /nfs/dbraw/zinc/02/66/27/635026627.db2.gz POIXPSDOWSUIER-AWEZNQCLSA-N 1 0 278.396 2.074 20 10 CECDRO O[C@H]1Cc2ccccc2N(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903909223 635342762 /nfs/dbraw/zinc/34/27/62/635342762.db2.gz RYINATKHOSZMDD-KRWDZBQOSA-N 1 0 294.398 2.256 20 10 CECDRO Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1O)CCO2 ZINC000903947052 635379340 /nfs/dbraw/zinc/37/93/40/635379340.db2.gz LOBXJPDRFBBLAC-UHFFFAOYSA-N 1 0 270.332 2.369 20 10 CECDRO CN(C)c1ccc(CN2C[C@@H]([NH3+])C(C)(C)C2)cc1F ZINC000903984705 635403592 /nfs/dbraw/zinc/40/35/92/635403592.db2.gz TWJXXXANAYEZBG-CQSZACIVSA-N 1 0 265.376 2.061 20 10 CECDRO CC[C@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)CCO1 ZINC000824383924 635417329 /nfs/dbraw/zinc/41/73/29/635417329.db2.gz WMCRKCJNSVSJNL-OLZOCXBDSA-N 1 0 265.353 2.448 20 10 CECDRO CCOc1ccc(C[N@H+](C)CC(C)(C)CO)c(O)c1 ZINC000824630585 635465917 /nfs/dbraw/zinc/46/59/17/635465917.db2.gz OSWGGPFDMJHKND-UHFFFAOYSA-N 1 0 267.369 2.241 20 10 CECDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000824636288 635466932 /nfs/dbraw/zinc/46/69/32/635466932.db2.gz OGLQUGDAQQTOSJ-DGCLKSJQSA-N 1 0 295.379 2.002 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2C(=O)OC)c1O ZINC000824702060 635480779 /nfs/dbraw/zinc/48/07/79/635480779.db2.gz HJSGTVIDKAWSGY-OLZOCXBDSA-N 1 0 293.363 2.222 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000824709730 635482852 /nfs/dbraw/zinc/48/28/52/635482852.db2.gz SHVIXFFWFMRXIU-CZUORRHYSA-N 1 0 296.386 2.033 20 10 CECDRO COc1ccc(O)c(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)c1 ZINC000824815328 635503254 /nfs/dbraw/zinc/50/32/54/635503254.db2.gz LYHUPKZVHGFKQI-NHYWBVRUSA-N 1 0 265.353 2.258 20 10 CECDRO CO[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1O ZINC000825017756 635539981 /nfs/dbraw/zinc/53/99/81/635539981.db2.gz YTVKWNQZQHYTMZ-QZTJIDSGSA-N 1 0 299.370 2.251 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCC2(CO)CC2)c1 ZINC000825040493 635546221 /nfs/dbraw/zinc/54/62/21/635546221.db2.gz LIENJXIUGVKUTB-UHFFFAOYSA-N 1 0 265.353 2.043 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COCC2(C)C)c1 ZINC000825090853 635563330 /nfs/dbraw/zinc/56/33/30/635563330.db2.gz KNHBSWLKOUXCIJ-CQSZACIVSA-N 1 0 265.353 2.306 20 10 CECDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000904355166 635586950 /nfs/dbraw/zinc/58/69/50/635586950.db2.gz LBTPXYAGDHNQQX-WFASDCNBSA-N 1 0 260.381 2.242 20 10 CECDRO COC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000825322059 635614874 /nfs/dbraw/zinc/61/48/74/635614874.db2.gz WNFXFONQKWGTPA-GFCCVEGCSA-N 1 0 293.363 2.369 20 10 CECDRO COc1ccc(O)c(CN2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000904431480 635625373 /nfs/dbraw/zinc/62/53/73/635625373.db2.gz UNTIUKBUGSISJS-INIZCTEOSA-N 1 0 276.380 2.119 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2(CO)CCOCC2)cc1Cl ZINC000825370330 635626282 /nfs/dbraw/zinc/62/62/82/635626282.db2.gz MCFAAZNEWZRMBZ-UHFFFAOYSA-N 1 0 299.798 2.233 20 10 CECDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825753065 635707518 /nfs/dbraw/zinc/70/75/18/635707518.db2.gz NHMOGBXBEWXMGJ-HNNXBMFYSA-N 1 0 296.798 2.312 20 10 CECDRO Cc1cc(O)c(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)cc1Cl ZINC000826096982 635760863 /nfs/dbraw/zinc/76/08/63/635760863.db2.gz KRSAEOYARMCVQM-RISCZKNCSA-N 1 0 299.798 2.326 20 10 CECDRO COC[C@@H](CC[NH2+]Cc1cc(Cl)c(C)cc1O)OC ZINC000826838116 635857570 /nfs/dbraw/zinc/85/75/70/635857570.db2.gz DJOBZKMBBIVGDG-GFCCVEGCSA-N 1 0 287.787 2.495 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000826845103 635859653 /nfs/dbraw/zinc/85/96/53/635859653.db2.gz FPBNOKHQOLBTOH-GJZGRUSLSA-N 1 0 290.407 2.290 20 10 CECDRO CO[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826952974 636169340 /nfs/dbraw/zinc/16/93/40/636169340.db2.gz YFSDSDKQQZYGAH-HNNXBMFYSA-N 1 0 299.798 2.327 20 10 CECDRO CCc1cccc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1O ZINC000827147211 636236741 /nfs/dbraw/zinc/23/67/41/636236741.db2.gz NXOGNNZGBBOLSF-JYAVWHMHSA-N 1 0 263.381 2.403 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000827205399 636256135 /nfs/dbraw/zinc/25/61/35/636256135.db2.gz MINDJSGTBYRCKT-BBRMVZONSA-N 1 0 276.380 2.258 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@](C)(O)C(C)=O)cc1 ZINC000827337208 636297879 /nfs/dbraw/zinc/29/78/79/636297879.db2.gz TZFDCULZPSBBDY-QGZVFWFLSA-N 1 0 292.423 2.305 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000827371114 636307720 /nfs/dbraw/zinc/30/77/20/636307720.db2.gz PCGAPBUJYBMGQC-NEPJUHHUSA-N 1 0 265.353 2.400 20 10 CECDRO Cc1cccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000827554584 636351499 /nfs/dbraw/zinc/35/14/99/636351499.db2.gz GURDUQYJYSEFMW-ZDUSSCGKSA-N 1 0 290.407 2.437 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@H](C)CC2)c1O ZINC000905737307 636424237 /nfs/dbraw/zinc/42/42/37/636424237.db2.gz GPECCHAZNKXIHF-GFCCVEGCSA-N 1 0 265.353 2.320 20 10 CECDRO C[C@@H](NC(=O)CCCC[NH+](C)C)c1ccccc1O ZINC000827937185 636464152 /nfs/dbraw/zinc/46/41/52/636464152.db2.gz NRNPFDKKSVYNFR-GFCCVEGCSA-N 1 0 264.369 2.301 20 10 CECDRO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1O ZINC000827969054 636473304 /nfs/dbraw/zinc/47/33/04/636473304.db2.gz HHXXRBLQNPCBOT-WCQYABFASA-N 1 0 262.353 2.054 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)CC[C@@H]2CCC[NH2+]2)c1 ZINC000828666464 636651061 /nfs/dbraw/zinc/65/10/61/636651061.db2.gz DMIQTMHJXRFSAC-RYUDHWBXSA-N 1 0 292.379 2.110 20 10 CECDRO CCC[N@H+](Cc1ccc(C)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000876537848 650311264 /nfs/dbraw/zinc/31/12/64/650311264.db2.gz FSVVBHXYSLULLF-AWEZNQCLSA-N 1 0 297.420 2.100 20 10 CECDRO CCCSCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832280534 637532230 /nfs/dbraw/zinc/53/22/30/637532230.db2.gz PDNLHUBRWCODRO-AWEZNQCLSA-N 1 0 295.452 2.012 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCN(CC3CC3)C1)CC2 ZINC000834575889 637876316 /nfs/dbraw/zinc/87/63/16/637876316.db2.gz PHUNMUDISQIDFU-LSDHHAIUSA-N 1 0 272.392 2.453 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CC1(O)Cc3ccccc3C1)CC2 ZINC000834597848 637886156 /nfs/dbraw/zinc/88/61/56/637886156.db2.gz KOFABTNNLVZGKZ-INIZCTEOSA-N 1 0 295.382 2.499 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCCOC[C@H]1CCOC1)CC2 ZINC000834598994 637886440 /nfs/dbraw/zinc/88/64/40/637886440.db2.gz URDUCYUQKGKFAV-UKRRQHHQSA-N 1 0 291.391 2.412 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C(COC)COC)cc1 ZINC000834892181 637980549 /nfs/dbraw/zinc/98/05/49/637980549.db2.gz QLVQKGUEWMSHOV-ZDUSSCGKSA-N 1 0 280.412 2.455 20 10 CECDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1ccccc1O ZINC000834895407 637980590 /nfs/dbraw/zinc/98/05/90/637980590.db2.gz BHQKRNMIWFEYIT-VXGBXAGGSA-N 1 0 259.353 2.408 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c(O)c1C ZINC000834910209 637986312 /nfs/dbraw/zinc/98/63/12/637986312.db2.gz VWTDKYSCOXNKMW-BLLLJJGKSA-N 1 0 276.380 2.328 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@](C)(O)C2)cc1 ZINC000835027839 638030831 /nfs/dbraw/zinc/03/08/31/638030831.db2.gz GVCWHBHFRXMXPA-AWFCHZOYSA-N 1 0 260.381 2.223 20 10 CECDRO C[C@@H](Cn1cncn1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835035279 638033075 /nfs/dbraw/zinc/03/30/75/638033075.db2.gz FRCWDVVVRODNLU-NNTXTVRGSA-N 1 0 285.395 2.036 20 10 CECDRO C[C@@H](CCO)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835042215 638035007 /nfs/dbraw/zinc/03/50/07/638035007.db2.gz HECYUMBQMZKKEY-WSNITJDQSA-N 1 0 262.397 2.374 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835049132 638038151 /nfs/dbraw/zinc/03/81/51/638038151.db2.gz BRHMMOZDSCRCKX-NPQIQWPPSA-N 1 0 289.423 2.222 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@H+](C)C2CC(O)C2)cc1 ZINC000835047839 638038369 /nfs/dbraw/zinc/03/83/69/638038369.db2.gz LLPWLYFPIPIGJL-PLNGDYQASA-N 1 0 260.381 2.221 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c1O ZINC000835061889 638044796 /nfs/dbraw/zinc/04/47/96/638044796.db2.gz VRFZQQCCVJTFOH-CQSZACIVSA-N 1 0 282.771 2.112 20 10 CECDRO CON1CCC([N@H+](C)Cc2cc(C)c(C)cc2O)CC1 ZINC000835075966 638049943 /nfs/dbraw/zinc/04/99/43/638049943.db2.gz GLLKOLQJBNWLCC-UHFFFAOYSA-N 1 0 278.396 2.467 20 10 CECDRO CON1CCC([N@H+](C)Cc2cccc(C)c2O)CC1 ZINC000835076775 638050124 /nfs/dbraw/zinc/05/01/24/638050124.db2.gz VKPHHJDCZBIYBH-UHFFFAOYSA-N 1 0 264.369 2.158 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CC[C@H](C)O2)c1 ZINC000835086002 638056042 /nfs/dbraw/zinc/05/60/42/638056042.db2.gz AROJBTZSVPZLIT-SMDDNHRTSA-N 1 0 265.353 2.448 20 10 CECDRO O=C(C1=CCC[NH2+]CC1)N1CCCc2cc(F)ccc21 ZINC000912360816 638667314 /nfs/dbraw/zinc/66/73/14/638667314.db2.gz XIXAPFHEHNJLRF-UHFFFAOYSA-N 1 0 274.339 2.415 20 10 CECDRO COCC[NH+](CCOC)Cc1cc(C)cc(C)c1O ZINC000163817955 639329354 /nfs/dbraw/zinc/32/93/54/639329354.db2.gz KPTPXMOMGUCYSP-UHFFFAOYSA-N 1 0 267.369 2.104 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000156574696 639362078 /nfs/dbraw/zinc/36/20/78/639362078.db2.gz JMGLBQOKJYOMHE-OLZOCXBDSA-N 1 0 277.412 2.084 20 10 CECDRO CC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000224187782 639443221 /nfs/dbraw/zinc/44/32/21/639443221.db2.gz KATMQOCKSXYTAC-UHFFFAOYSA-N 1 0 260.381 2.413 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c1 ZINC000224866279 639466679 /nfs/dbraw/zinc/46/66/79/639466679.db2.gz AVSDOPVGTILFLW-DGCLKSJQSA-N 1 0 265.353 2.042 20 10 CECDRO CC[C@@H](C)[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000057868793 639466707 /nfs/dbraw/zinc/46/67/07/639466707.db2.gz RGLWBZOWUKATMC-OAHLLOKOSA-N 1 0 291.439 2.205 20 10 CECDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000226613496 639555723 /nfs/dbraw/zinc/55/57/23/639555723.db2.gz GFCYOCWAXQRSML-OLZOCXBDSA-N 1 0 253.317 2.434 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2cnn(C)c2)c(Cl)c1 ZINC000840879283 639570311 /nfs/dbraw/zinc/57/03/11/639570311.db2.gz DIRXGACTIDECKD-UHFFFAOYSA-N 1 0 279.771 2.420 20 10 CECDRO CCc1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000840889819 639574890 /nfs/dbraw/zinc/57/48/90/639574890.db2.gz OFCZHQDLBKNVLH-UHFFFAOYSA-N 1 0 269.348 2.264 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000840942203 639595822 /nfs/dbraw/zinc/59/58/22/639595822.db2.gz VMQDFZVGCXSLPN-CJNGLKHVSA-N 1 0 262.397 2.312 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC(C)(C)OCCO)c(Cl)c1 ZINC000840945431 639596426 /nfs/dbraw/zinc/59/64/26/639596426.db2.gz NNIIWJNFCYPELK-UHFFFAOYSA-N 1 0 287.787 2.231 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000840948861 639597995 /nfs/dbraw/zinc/59/79/95/639597995.db2.gz LRULWVZKIVPIKC-ZDUSSCGKSA-N 1 0 290.329 2.464 20 10 CECDRO Cc1noc(C2C[NH+](Cc3ccc(N(C)C)cc3C)C2)n1 ZINC000840952898 639599150 /nfs/dbraw/zinc/59/91/50/639599150.db2.gz IUTHLICHKBLATP-UHFFFAOYSA-N 1 0 286.379 2.352 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CS[C@@H](C)C2)cc1OC ZINC000840958832 639600957 /nfs/dbraw/zinc/60/09/57/639600957.db2.gz OLZJOGMFWYKJHO-ONGXEEELSA-N 1 0 283.393 2.393 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)C(=O)NC(C)C)c1O ZINC000840974384 639605685 /nfs/dbraw/zinc/60/56/85/639605685.db2.gz IFBBFNRVZKJXBP-SNVBAGLBSA-N 1 0 284.787 2.357 20 10 CECDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000840978246 639606748 /nfs/dbraw/zinc/60/67/48/639606748.db2.gz MQBPYAVYAYLSGJ-TZMCWYRMSA-N 1 0 280.387 2.485 20 10 CECDRO CC(C)C[C@H]([NH3+])CN(C)c1ccc2c(c1)OCO2 ZINC000841011983 639617171 /nfs/dbraw/zinc/61/71/71/639617171.db2.gz WAHHBGLXBPEGCT-NSHDSACASA-N 1 0 250.342 2.225 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000841025634 639620330 /nfs/dbraw/zinc/62/03/30/639620330.db2.gz DCGCTEUEOGFIKA-CZUORRHYSA-N 1 0 261.413 2.454 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000841026623 639620528 /nfs/dbraw/zinc/62/05/28/639620528.db2.gz LVYRUDABAKCAIR-JUPLKNRCSA-N 1 0 271.408 2.060 20 10 CECDRO CN(C)c1ccc(/C=C\CN[C@@H](C[NH3+])C2CC2)cc1 ZINC000841027939 639621636 /nfs/dbraw/zinc/62/16/36/639621636.db2.gz GSPMMPFOQQDGGV-QGZUEGPWSA-N 1 0 259.397 2.093 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CN)CC(C)C)c1O ZINC000841038272 639628524 /nfs/dbraw/zinc/62/85/24/639628524.db2.gz IKTHNPNHKPFZAY-CYBMUJFWSA-N 1 0 266.385 2.254 20 10 CECDRO Cc1csc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000841044676 639630680 /nfs/dbraw/zinc/63/06/80/639630680.db2.gz XNPJGYNHCRBVPW-AWEZNQCLSA-N 1 0 290.436 2.307 20 10 CECDRO CCN(CC)c1ccc(CN[C@@H]2CC[NH2+]C2)cc1F ZINC000841045491 639630849 /nfs/dbraw/zinc/63/08/49/639630849.db2.gz WONKDZFBAAICIW-CYBMUJFWSA-N 1 0 265.376 2.123 20 10 CECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841058567 639635310 /nfs/dbraw/zinc/63/53/10/639635310.db2.gz SVGPKNNBZLMWIG-LLVKDONJSA-N 1 0 272.751 2.416 20 10 CECDRO CCOCc1cc(CN[C@H]2C[NH2+]CC[C@@H]2C)ccc1OC ZINC000841058998 639636196 /nfs/dbraw/zinc/63/61/96/639636196.db2.gz IXQVBXQAHALBCQ-BBRMVZONSA-N 1 0 292.423 2.319 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CC[NH2+]1 ZINC000841061179 639636904 /nfs/dbraw/zinc/63/69/04/639636904.db2.gz FWGQDNUZVGBHAB-ONGXEEELSA-N 1 0 254.761 2.276 20 10 CECDRO COc1cc(O)c(CNc2ccc(C[NH3+])cc2)cc1OC ZINC000841059056 639637203 /nfs/dbraw/zinc/63/72/03/639637203.db2.gz KXVHGQJQFIDOPS-UHFFFAOYSA-N 1 0 288.347 2.480 20 10 CECDRO C[C@@H](C[NH3+])NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000841067172 639642746 /nfs/dbraw/zinc/64/27/46/639642746.db2.gz WKBJGCCHJPPBIS-VIFPVBQESA-N 1 0 275.318 2.208 20 10 CECDRO [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000841084966 639649163 /nfs/dbraw/zinc/64/91/63/639649163.db2.gz RBBSGUJFYFPKSU-MWLCHTKSSA-N 1 0 254.761 2.263 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C[C@H](C)O)c1O ZINC000228677806 639652590 /nfs/dbraw/zinc/65/25/90/639652590.db2.gz KFOFEGHTMZISMZ-IUCAKERBSA-N 1 0 273.760 2.303 20 10 CECDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000228943756 639665507 /nfs/dbraw/zinc/66/55/07/639665507.db2.gz YLCIWZVHQKIAKW-ZJUUUORDSA-N 1 0 268.332 2.095 20 10 CECDRO C[NH2+]CCCN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000841104132 639676159 /nfs/dbraw/zinc/67/61/59/639676159.db2.gz OGEBCNBQVXBESP-ALCCZGGFSA-N 1 0 261.413 2.307 20 10 CECDRO CC1(C)OC[C@H](C[NH2+]Cc2cc(Cl)ccc2O)O1 ZINC000230210594 639746509 /nfs/dbraw/zinc/74/65/09/639746509.db2.gz VCIJJKODPWAMEU-NSHDSACASA-N 1 0 271.744 2.287 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCc2ccn(C)n2)c1O ZINC000230943538 639806737 /nfs/dbraw/zinc/80/67/37/639806737.db2.gz ULNIGMOAPMDPAI-UHFFFAOYSA-N 1 0 295.770 2.120 20 10 CECDRO CC(=O)c1cc(F)cc(CN(C)CC[NH+]2CCCC2)c1O ZINC000063052473 639820274 /nfs/dbraw/zinc/82/02/74/639820274.db2.gz UHVGJLNDBMADSJ-UHFFFAOYSA-N 1 0 294.370 2.262 20 10 CECDRO COCCOCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841745226 639855210 /nfs/dbraw/zinc/85/52/10/639855210.db2.gz OEZMSHTUHOPLRS-JTQLQIEISA-N 1 0 273.760 2.359 20 10 CECDRO C[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(Cl)cc1O ZINC000841748067 639856470 /nfs/dbraw/zinc/85/64/70/639856470.db2.gz VVWNKYXBQHQWIP-ONGXEEELSA-N 1 0 254.761 2.400 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)cc1 ZINC000841894795 639901429 /nfs/dbraw/zinc/90/14/29/639901429.db2.gz VIMZQLLDXAMAEV-ZDUSSCGKSA-N 1 0 283.366 2.182 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)NCC[NH2+]CC ZINC000841935532 639907979 /nfs/dbraw/zinc/90/79/79/639907979.db2.gz XBCQGUREVHBJNI-UHFFFAOYSA-N 1 0 293.411 2.313 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000877044975 650544993 /nfs/dbraw/zinc/54/49/93/650544993.db2.gz MXTJDRUKESKTIK-UONOGXRCSA-N 1 0 290.407 2.437 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3OCC[C@@H]3C1)CCC2 ZINC000842623656 640123420 /nfs/dbraw/zinc/12/34/20/640123420.db2.gz XLJOEYPAIMMSIK-PBHICJAKSA-N 1 0 273.376 2.492 20 10 CECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CO1 ZINC000842674396 640145429 /nfs/dbraw/zinc/14/54/29/640145429.db2.gz ZYNOVGDNSLDXIS-JQWIXIFHSA-N 1 0 252.333 2.159 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H]2CO[C@H](C)C2)ccc1OC ZINC000842774509 640177946 /nfs/dbraw/zinc/17/79/46/640177946.db2.gz IHCLPKBWTKZUCU-DOMZBBRYSA-N 1 0 279.380 2.499 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000842909546 640219765 /nfs/dbraw/zinc/21/97/65/640219765.db2.gz IRLIDWRZDORRDB-RLCGTCKNSA-N 1 0 271.744 2.110 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2OC)cc1 ZINC000842913332 640220138 /nfs/dbraw/zinc/22/01/38/640220138.db2.gz ZVTWRWXYVSXHGR-APHBMKBZSA-N 1 0 278.396 2.207 20 10 CECDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@H]2C)cc1F ZINC000843046913 640251178 /nfs/dbraw/zinc/25/11/78/640251178.db2.gz DRCWDJXWPLBCMD-CYBMUJFWSA-N 1 0 279.403 2.466 20 10 CECDRO C[NH2+][C@@H]1CCN(Cc2cc(C)cc(Br)c2O)C1 ZINC000843045823 640251276 /nfs/dbraw/zinc/25/12/76/640251276.db2.gz XISQREZZKSUCAM-LLVKDONJSA-N 1 0 299.212 2.257 20 10 CECDRO Cc1cc(Cl)cc(CN2CC[NH2+]C[C@@H]2C)c1O ZINC000843047813 640252529 /nfs/dbraw/zinc/25/25/29/640252529.db2.gz WXIOBOMRGHAZJT-JTQLQIEISA-N 1 0 254.761 2.148 20 10 CECDRO Cc1cc(Br)c(O)c(CN2CCC([NH3+])CC2)c1 ZINC000843047253 640252791 /nfs/dbraw/zinc/25/27/91/640252791.db2.gz IGBMWFUCWIRYBF-UHFFFAOYSA-N 1 0 299.212 2.386 20 10 CECDRO CC[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000843052330 640256455 /nfs/dbraw/zinc/25/64/55/640256455.db2.gz OPTXIDQXOITQHN-DZGCQCFKSA-N 1 0 279.403 2.451 20 10 CECDRO CN(C)c1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000843055244 640257572 /nfs/dbraw/zinc/25/75/72/640257572.db2.gz HOYZIMAOODCVPE-MRXNPFEDSA-N 1 0 259.397 2.079 20 10 CECDRO Oc1ccc(Cl)cc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843056142 640258931 /nfs/dbraw/zinc/25/89/31/640258931.db2.gz UPEXXMYFZSJZII-ZDUSSCGKSA-N 1 0 266.772 2.372 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843118687 640288424 /nfs/dbraw/zinc/28/84/24/640288424.db2.gz MMIDOQYJGSMUPD-HNNXBMFYSA-N 1 0 264.344 2.107 20 10 CECDRO CN(Cc1ccc(OCc2ccccc2)cc1O)C1C[NH2+]C1 ZINC000843124946 640290535 /nfs/dbraw/zinc/29/05/35/640290535.db2.gz QSNUTNIFEHUCCK-UHFFFAOYSA-N 1 0 298.386 2.375 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C\C(C)(C)C)cc1 ZINC000843298115 640380922 /nfs/dbraw/zinc/38/09/22/640380922.db2.gz MJTQQUWURDPKGS-JQPIKURYSA-N 1 0 289.423 2.471 20 10 CECDRO CCN(Cc1cc(Br)ccc1O)C[C@H](C)[NH3+] ZINC000843359053 640403408 /nfs/dbraw/zinc/40/34/08/640403408.db2.gz FXJOHEVGFXKAQP-VIFPVBQESA-N 1 0 287.201 2.324 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+][C@@H](C)[C@@H]2C)c1O ZINC000843376858 640410646 /nfs/dbraw/zinc/41/06/46/640410646.db2.gz FGAJQTWYHRFXRO-UWVGGRQHSA-N 1 0 296.798 2.430 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)cc1 ZINC000843414900 640419430 /nfs/dbraw/zinc/41/94/30/640419430.db2.gz FBQVKKMCJGAXTA-OAHLLOKOSA-N 1 0 297.406 2.229 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1O ZINC000843418676 640421485 /nfs/dbraw/zinc/42/14/85/640421485.db2.gz WLQDBLVYZOJBCN-HNNXBMFYSA-N 1 0 279.405 2.409 20 10 CECDRO CCC[NH2+][C@@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000843487893 640441399 /nfs/dbraw/zinc/44/13/99/640441399.db2.gz LMPDEOCJRVDUFZ-AWEZNQCLSA-N 1 0 291.439 2.489 20 10 CECDRO OC[C@]1(C[NH2+]Cc2ccccc2O)CCc2ccccc21 ZINC000846011969 641152004 /nfs/dbraw/zinc/15/20/04/641152004.db2.gz RTWFINLMNDUGBU-GOSISDBHSA-N 1 0 283.371 2.358 20 10 CECDRO C[C@H](CO)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000846057209 641165674 /nfs/dbraw/zinc/16/56/74/641165674.db2.gz DWGZDBZQNBKOMY-LLVKDONJSA-N 1 0 267.344 2.372 20 10 CECDRO COC(=O)CC1CC([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000846056334 641166014 /nfs/dbraw/zinc/16/60/14/641166014.db2.gz VMYHDZQPVGYQMR-UHFFFAOYSA-N 1 0 283.755 2.477 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1C ZINC000846076161 641174719 /nfs/dbraw/zinc/17/47/19/641174719.db2.gz ZYXFPOCCAZEVOC-ZDUSSCGKSA-N 1 0 288.391 2.110 20 10 CECDRO COc1cccc([C@H](C)[NH2+]Cc2cc(C)n[nH]2)c1O ZINC000846143418 641200128 /nfs/dbraw/zinc/20/01/28/641200128.db2.gz FTDZFKGARBBXBE-JTQLQIEISA-N 1 0 261.325 2.283 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1O ZINC000846145790 641201718 /nfs/dbraw/zinc/20/17/18/641201718.db2.gz PGZMMEUHSNGPTL-CYZMBNFOSA-N 1 0 265.353 2.355 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)C(C)C)c1O ZINC000846145198 641201765 /nfs/dbraw/zinc/20/17/65/641201765.db2.gz NFAHWWSKNLDSKA-CMPLNLGQSA-N 1 0 253.342 2.068 20 10 CECDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846145518 641202097 /nfs/dbraw/zinc/20/20/97/641202097.db2.gz OGOXGPFQPBBZAZ-QWRGUYRKSA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)c1O ZINC000846150908 641204981 /nfs/dbraw/zinc/20/49/81/641204981.db2.gz SVIYNGDIBDEYIP-FRRDWIJNSA-N 1 0 295.379 2.245 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1O ZINC000846155315 641206161 /nfs/dbraw/zinc/20/61/61/641206161.db2.gz POAVJCKMXBKUEY-RYUDHWBXSA-N 1 0 292.379 2.061 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)CC2CC2)c1O ZINC000846157378 641207421 /nfs/dbraw/zinc/20/74/21/641207421.db2.gz MARSSZCLNNVSBG-PWSUYJOCSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC2(CCO)CC2)c1O ZINC000846162485 641208202 /nfs/dbraw/zinc/20/82/02/641208202.db2.gz CAOAFDAFKPHLAL-LLVKDONJSA-N 1 0 265.353 2.214 20 10 CECDRO CCn1ccnc1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846170700 641211735 /nfs/dbraw/zinc/21/17/35/641211735.db2.gz YTIGUXNSXCWVJG-NSHDSACASA-N 1 0 275.352 2.468 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](CO)CCF)c(O)c1 ZINC000846208408 641223355 /nfs/dbraw/zinc/22/33/55/641223355.db2.gz JOWLDIACHJMNJH-RYUDHWBXSA-N 1 0 255.333 2.380 20 10 CECDRO C[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccccc1O ZINC000877256314 650644149 /nfs/dbraw/zinc/64/41/49/650644149.db2.gz RZRFSGNXWJHJDE-LRDDRELGSA-N 1 0 296.370 2.284 20 10 CECDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccc(C)c2O)C1 ZINC000180783919 641485909 /nfs/dbraw/zinc/48/59/09/641485909.db2.gz NMFYZLLIONZPPV-AWEZNQCLSA-N 1 0 276.380 2.001 20 10 CECDRO CCOc1cccc(CN2CCC[C@@H](C)[C@H]2C[NH3+])c1O ZINC000250516604 641546365 /nfs/dbraw/zinc/54/63/65/641546365.db2.gz OROJWMQXNUNPKK-TZMCWYRMSA-N 1 0 278.396 2.350 20 10 CECDRO Cc1n[nH]cc1CCC[NH2+]Cc1cc(C)ccc1O ZINC000071408870 641762559 /nfs/dbraw/zinc/76/25/59/641762559.db2.gz MHDXEKIIAFBKJP-UHFFFAOYSA-N 1 0 259.353 2.455 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COCC(C)C)c(O)c1 ZINC000185117404 641938492 /nfs/dbraw/zinc/93/84/92/641938492.db2.gz ADBVXONTKMSKIY-UONOGXRCSA-N 1 0 281.396 2.385 20 10 CECDRO CCOc1ccc(C[NH2+]CC2(COC)CC2)c(O)c1 ZINC000848564038 642055389 /nfs/dbraw/zinc/05/53/89/642055389.db2.gz AFYRKWYRZGIXEJ-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO O=C1O[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)CN1C1CC1 ZINC000848578246 642064917 /nfs/dbraw/zinc/06/49/17/642064917.db2.gz PAOCMDSGEBZXAP-LBPRGKRZSA-N 1 0 296.754 2.118 20 10 CECDRO CCC(=O)N1CCC[N@H+](Cc2cccc(CC)c2O)CC1 ZINC000848882464 642168414 /nfs/dbraw/zinc/16/84/14/642168414.db2.gz QHEZGFIIARYVPF-UHFFFAOYSA-N 1 0 290.407 2.399 20 10 CECDRO Cn1c(Cl)ncc1C[N@H+](C)Cc1ccccc1O ZINC000848882565 642169615 /nfs/dbraw/zinc/16/96/15/642169615.db2.gz UCPALSGVHHWLEO-UHFFFAOYSA-N 1 0 265.744 2.411 20 10 CECDRO CCc1cccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)c1O ZINC000848886196 642170206 /nfs/dbraw/zinc/17/02/06/642170206.db2.gz UXCHVBCAZLZLEQ-HUUCEWRRSA-N 1 0 288.391 2.198 20 10 CECDRO CCc1cccc(C[NH2+]CCNC(=O)C(C)(C)C)c1O ZINC000848896310 642176007 /nfs/dbraw/zinc/17/60/07/642176007.db2.gz YKHJDNSHVFXCKH-UHFFFAOYSA-N 1 0 278.396 2.207 20 10 CECDRO CCc1cccc(C[NH2+]Cc2cc(C)ncn2)c1O ZINC000848900576 642179259 /nfs/dbraw/zinc/17/92/59/642179259.db2.gz OAALWSUDWHHNQC-UHFFFAOYSA-N 1 0 257.337 2.343 20 10 CECDRO CCc1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1O ZINC000848910160 642185423 /nfs/dbraw/zinc/18/54/23/642185423.db2.gz HLEDPOZKDFLBJP-HZPDHXFCSA-N 1 0 291.391 2.334 20 10 CECDRO CCc1cccc(C[NH2+]C2(COC)CCOCC2)c1O ZINC000848913584 642187651 /nfs/dbraw/zinc/18/76/51/642187651.db2.gz BEAFXYJWJKWSGX-UHFFFAOYSA-N 1 0 279.380 2.240 20 10 CECDRO CO[C@@](C)(CO)C[NH2+]Cc1ccc2ccccc2c1O ZINC000848922306 642194664 /nfs/dbraw/zinc/19/46/64/642194664.db2.gz QMMZNDMOCBAZEJ-MRXNPFEDSA-N 1 0 275.348 2.032 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)[C@H]1C ZINC000877466971 650732659 /nfs/dbraw/zinc/73/26/59/650732659.db2.gz UTBPCVCZWGPUJW-WCQYABFASA-N 1 0 263.337 2.084 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2cnn(CCF)c2)cc1F ZINC000921622585 642281014 /nfs/dbraw/zinc/28/10/14/642281014.db2.gz FLQNXSHITZMNQM-UHFFFAOYSA-N 1 0 294.349 2.348 20 10 CECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000084950147 642363936 /nfs/dbraw/zinc/36/39/36/642363936.db2.gz XLWMPEIUPZAYSH-CQSZACIVSA-N 1 0 276.380 2.138 20 10 CECDRO CC1C[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877487991 650746538 /nfs/dbraw/zinc/74/65/38/650746538.db2.gz IISHQIPDUWVQRH-UHFFFAOYSA-N 1 0 260.381 2.099 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCOC2CCCC2)c1 ZINC000108942682 642493101 /nfs/dbraw/zinc/49/31/01/642493101.db2.gz FQHBQUHYHPQZGF-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO Cc1noc(CCC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921694763 642542676 /nfs/dbraw/zinc/54/26/76/642542676.db2.gz YBKYIWNIPGYOEE-UHFFFAOYSA-N 1 0 287.363 2.425 20 10 CECDRO Cc1ccc(C[NH2+][C@H](c2nncn2C)C(C)C)c(O)c1 ZINC000877513743 650759906 /nfs/dbraw/zinc/75/99/06/650759906.db2.gz BYOYMJYROKTBQR-AWEZNQCLSA-N 1 0 274.368 2.316 20 10 CECDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CO1 ZINC000850068967 642565264 /nfs/dbraw/zinc/56/52/64/642565264.db2.gz JVZSQVRIPVMDSW-WBVHZDCISA-N 1 0 290.407 2.180 20 10 CECDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000186456423 642571400 /nfs/dbraw/zinc/57/14/00/642571400.db2.gz NRAYLTUKMVDDST-PWSUYJOCSA-N 1 0 296.342 2.413 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2cnn3c2CCC3)cc1F ZINC000850099661 642578497 /nfs/dbraw/zinc/57/84/97/642578497.db2.gz SLEZPMWUCIWKBM-UHFFFAOYSA-N 1 0 288.370 2.324 20 10 CECDRO OCC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000921769348 642600314 /nfs/dbraw/zinc/60/03/14/642600314.db2.gz BTVIQDCXQOZPOT-HNNXBMFYSA-N 1 0 261.365 2.262 20 10 CECDRO C[C@H]1CC[NH2+][C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000126568147 650774557 /nfs/dbraw/zinc/77/45/57/650774557.db2.gz QJQUTXNVHFJQCX-XJKSGUPXSA-N 1 0 289.423 2.099 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCO[C@H](C)C3)C2)cc1 ZINC000850347602 642675153 /nfs/dbraw/zinc/67/51/53/642675153.db2.gz UOUGRPNIWGMQHL-ILXRZTDVSA-N 1 0 290.407 2.431 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc[nH]c3)C2)cc1 ZINC000850347155 642675170 /nfs/dbraw/zinc/67/51/70/642675170.db2.gz OTIMUQCJTMFPRL-CQSZACIVSA-N 1 0 271.364 2.392 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC[S@@](=O)CC(F)(F)F)c1 ZINC000850348029 642675207 /nfs/dbraw/zinc/67/52/07/642675207.db2.gz CVIIXUOKTNOHKR-LJQANCHMSA-N 1 0 295.326 2.101 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(C)nn3)C2)cc1 ZINC000850346729 642675242 /nfs/dbraw/zinc/67/52/42/642675242.db2.gz IQKPZSOEGAHZEG-HNNXBMFYSA-N 1 0 298.390 2.162 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)C2(CO)CC2)c(O)c1 ZINC000850360625 642682308 /nfs/dbraw/zinc/68/23/08/642682308.db2.gz IFLCCRNWCKKBOR-NSHDSACASA-N 1 0 265.353 2.042 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)c2nccn2C)c(O)c1 ZINC000850410817 642703713 /nfs/dbraw/zinc/70/37/13/642703713.db2.gz WXKVNPPDOIZGFA-NSHDSACASA-N 1 0 275.352 2.375 20 10 CECDRO CC[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)OC ZINC000877542102 650778114 /nfs/dbraw/zinc/77/81/14/650778114.db2.gz VKOUILOEVSEJSC-KRWDZBQOSA-N 1 0 292.423 2.162 20 10 CECDRO CO[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)[C@@H]1CCOC1 ZINC000850484445 642729079 /nfs/dbraw/zinc/72/90/79/642729079.db2.gz IXJOAZXMADLHDI-UMVBOHGHSA-N 1 0 277.364 2.021 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)C2CCC2)c1O ZINC000850487228 642729930 /nfs/dbraw/zinc/72/99/30/642729930.db2.gz GRLVGLBFOHHOPW-ZWNOBZJWSA-N 1 0 265.353 2.212 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1C[C@@H](O)C13CCC3)CC2 ZINC000850547847 642749601 /nfs/dbraw/zinc/74/96/01/642749601.db2.gz XIQCTVQJGCOEFW-MRVWCRGKSA-N 1 0 259.349 2.273 20 10 CECDRO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccccc1O ZINC000109773050 642925762 /nfs/dbraw/zinc/92/57/62/642925762.db2.gz GOFXMPBTMFGEBR-UHFFFAOYSA-N 1 0 270.332 2.123 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H](O)C(F)(F)F ZINC000922310711 643018296 /nfs/dbraw/zinc/01/82/96/643018296.db2.gz ZPAVCBPBPSBJJA-TVQRCGJNSA-N 1 0 289.297 2.413 20 10 CECDRO COC(OC)[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000922314055 643021362 /nfs/dbraw/zinc/02/13/62/643021362.db2.gz XTEHDTMWJXVULS-KTRBRXNASA-N 1 0 278.396 2.363 20 10 CECDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922336032 643035009 /nfs/dbraw/zinc/03/50/09/643035009.db2.gz YOOMJJNGTHYKFT-OAHLLOKOSA-N 1 0 260.381 2.195 20 10 CECDRO Cc1cc(O)c(C[NH2+]C2CC(CC(N)=O)C2)c(Cl)c1 ZINC000922515078 643103113 /nfs/dbraw/zinc/10/31/13/643103113.db2.gz VOHFLCJENWAPBJ-UHFFFAOYSA-N 1 0 282.771 2.098 20 10 CECDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCN1C ZINC000922554257 643123039 /nfs/dbraw/zinc/12/30/39/643123039.db2.gz DAMNHAPACLUGGI-DOMZBBRYSA-N 1 0 260.381 2.194 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CNC(=O)C2)cc1 ZINC000851717007 643123436 /nfs/dbraw/zinc/12/34/36/643123436.db2.gz UCCDQHWSUBWZOF-HNNXBMFYSA-N 1 0 289.423 2.101 20 10 CECDRO O=C1C[C@@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)CN1 ZINC000851771601 643154334 /nfs/dbraw/zinc/15/43/34/643154334.db2.gz JZFJWXYFHLNHLL-CYBMUJFWSA-N 1 0 288.391 2.273 20 10 CECDRO CC(C)O[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000922610766 643161348 /nfs/dbraw/zinc/16/13/48/643161348.db2.gz DMRARUCOJFDERN-KRWDZBQOSA-N 1 0 291.391 2.295 20 10 CECDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000922641312 643179676 /nfs/dbraw/zinc/17/96/76/643179676.db2.gz KIFDXQZPJYHHBO-GXFFZTMASA-N 1 0 252.333 2.016 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CCC(=O)O1)c1ccc(N(C)C)cc1 ZINC000851950334 643240369 /nfs/dbraw/zinc/24/03/69/643240369.db2.gz NRAHCZRURIDFLW-SMDDNHRTSA-N 1 0 262.353 2.109 20 10 CECDRO COC(CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000851949718 643240442 /nfs/dbraw/zinc/24/04/42/643240442.db2.gz ICPUBLRSNMEDCX-LBPRGKRZSA-N 1 0 266.385 2.412 20 10 CECDRO C[C@H]1C[NH+](Cc2ccc(N(C)C)cc2)C[C@H](C)C1O ZINC000852500064 643446389 /nfs/dbraw/zinc/44/63/89/643446389.db2.gz GGMIPLDHECZDIB-STQMWFEESA-N 1 0 262.397 2.201 20 10 CECDRO Oc1ccccc1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000877666188 650840655 /nfs/dbraw/zinc/84/06/55/650840655.db2.gz ZNVQJYNIJJPCBD-IAGOWNOFSA-N 1 0 285.343 2.016 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCO[C@H]2CCOC2)cc1 ZINC000922936527 643463872 /nfs/dbraw/zinc/46/38/72/643463872.db2.gz IPKQYVKTAGKACB-LIMHQNJXSA-N 1 0 290.407 2.161 20 10 CECDRO CC[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000852555379 643468895 /nfs/dbraw/zinc/46/88/95/643468895.db2.gz SIIQOOLYCHBLIX-INIZCTEOSA-N 1 0 289.423 2.147 20 10 CECDRO OC[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000923008203 643506586 /nfs/dbraw/zinc/50/65/86/643506586.db2.gz QNNULMWMTINRCW-JLIMDTESSA-N 1 0 286.169 2.015 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H]3C[C@H](CO)C3)CC2)cc1 ZINC000923004226 643508395 /nfs/dbraw/zinc/50/83/95/643508395.db2.gz CCLJUIIYVJTYFF-CTYIDZIISA-N 1 0 290.407 2.025 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1([NH3+])CC1 ZINC000852883014 643587718 /nfs/dbraw/zinc/58/77/18/643587718.db2.gz CWYFIAKRNDMMAX-UHFFFAOYSA-N 1 0 289.423 2.371 20 10 CECDRO Cc1cccc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000877693800 650854440 /nfs/dbraw/zinc/85/44/40/650854440.db2.gz QYMQSPBZSJYRAO-GZMMTYOYSA-N 1 0 263.259 2.102 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000877693777 650854903 /nfs/dbraw/zinc/85/49/03/650854903.db2.gz QSEQFLOBQWCHAQ-PRHODGIISA-N 1 0 277.286 2.356 20 10 CECDRO Cc1cc(CC(=O)NCC[NH+](C)C)c(C)n1-c1ccccc1 ZINC000854144375 643998338 /nfs/dbraw/zinc/99/83/38/643998338.db2.gz FPFIXEYLNRDCFL-UHFFFAOYSA-N 1 0 299.418 2.314 20 10 CECDRO Fc1cc(C[NH2+]CC2CC2)cc(F)c1N1CCOCC1 ZINC000839146843 644157627 /nfs/dbraw/zinc/15/76/27/644157627.db2.gz XIIADONFSSWZHD-UHFFFAOYSA-N 1 0 282.334 2.301 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2cn(C)cn2)cc1C ZINC000839149166 644158990 /nfs/dbraw/zinc/15/89/90/644158990.db2.gz ONHQMFMHSSBBFD-UHFFFAOYSA-N 1 0 259.353 2.075 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CC3(C2)CCCOC3)c1 ZINC000839139598 644171698 /nfs/dbraw/zinc/17/16/98/644171698.db2.gz WKCRAFVIMHHJBG-UHFFFAOYSA-N 1 0 277.364 2.403 20 10 CECDRO COc1cccc(C[NH+]2CCC(C(C)(C)O)CC2)c1O ZINC000877753577 650897839 /nfs/dbraw/zinc/89/78/39/650897839.db2.gz HBBHVSXJXCBIAX-UHFFFAOYSA-N 1 0 279.380 2.384 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@H]1CCC[C@@H]3C[C@@H]31)OCO2 ZINC000839186322 644183441 /nfs/dbraw/zinc/18/34/41/644183441.db2.gz HPNHETPASCCCKH-USWWRNFRSA-N 1 0 261.321 2.399 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COC[C@@H]2OC)cc1F ZINC000839191704 644185566 /nfs/dbraw/zinc/18/55/66/644185566.db2.gz DAYZJDDBFWNTCT-ZBFHGGJFSA-N 1 0 296.386 2.175 20 10 CECDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c(O)c1O ZINC000855163590 644263501 /nfs/dbraw/zinc/26/35/01/644263501.db2.gz DLIVDERNGYSFEX-LLVKDONJSA-N 1 0 292.379 2.009 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1F ZINC000753851403 644285595 /nfs/dbraw/zinc/28/55/95/644285595.db2.gz URLNGUCGRZMPAY-JOCQHMNTSA-N 1 0 266.360 2.285 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@@H]3C)CC2)cc1 ZINC000754099994 644323866 /nfs/dbraw/zinc/32/38/66/644323866.db2.gz FNJORMYIRKMSEB-KBPBESRZSA-N 1 0 260.381 2.473 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)cc1F ZINC000877835763 650928340 /nfs/dbraw/zinc/92/83/40/650928340.db2.gz WVFLEGFWLHSITF-ZDUSSCGKSA-N 1 0 280.387 2.485 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccc2ccccc2c1O ZINC000756557845 644665513 /nfs/dbraw/zinc/66/55/13/644665513.db2.gz WQQGIXCHHBKDPL-OCCSQVGLSA-N 1 0 288.391 2.119 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)c2c1c(F)ccc2O ZINC000756564900 644667643 /nfs/dbraw/zinc/66/76/43/644667643.db2.gz TZSJZCFFMCNYGZ-PSASIEDQSA-N 1 0 253.317 2.440 20 10 CECDRO C[C@H](CCO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756584993 644672348 /nfs/dbraw/zinc/67/23/48/644672348.db2.gz IDVFHWQYDWHGLW-IQJOONFLSA-N 1 0 253.317 2.440 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)nc2)c(O)c1C ZINC000756641059 644677626 /nfs/dbraw/zinc/67/76/26/644677626.db2.gz RUAHXZUHXFUNLS-GFCCVEGCSA-N 1 0 299.374 2.354 20 10 CECDRO Cc1cc(Cl)cc(CN2CCC[NH2+]CC2)c1O ZINC000843046929 644748735 /nfs/dbraw/zinc/74/87/35/644748735.db2.gz ACYMOBIMRAGZDE-UHFFFAOYSA-N 1 0 254.761 2.149 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCNC2=O)c(O)c1C ZINC000840825400 644762879 /nfs/dbraw/zinc/76/28/79/644762879.db2.gz GEZJQOZQZZGQKD-OLZOCXBDSA-N 1 0 276.380 2.186 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1CO ZINC000857061205 644806730 /nfs/dbraw/zinc/80/67/30/644806730.db2.gz LXPZOBDMRFAHNT-TZMCWYRMSA-N 1 0 280.387 2.342 20 10 CECDRO CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857085801 644813315 /nfs/dbraw/zinc/81/33/15/644813315.db2.gz HTKUGHLCKXYJLU-BLLLJJGKSA-N 1 0 292.354 2.047 20 10 CECDRO CN(C)c1ccc(C[NH2+]C2COC(C)(C)OC2)cc1F ZINC000758010512 644870357 /nfs/dbraw/zinc/87/03/57/644870357.db2.gz OEYHNNCVJVYUIV-UHFFFAOYSA-N 1 0 282.359 2.133 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCOC2)cc1F ZINC000858093995 645059556 /nfs/dbraw/zinc/05/95/56/645059556.db2.gz JGQRXXBBZPTFBJ-JTQLQIEISA-N 1 0 270.323 2.157 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@](C)(CO)C2CC2)cc1F ZINC000858149832 645076036 /nfs/dbraw/zinc/07/60/36/645076036.db2.gz XCTHOIYYHUWCSU-OAHLLOKOSA-N 1 0 284.350 2.281 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)nnn3C)c1 ZINC000858237093 645095948 /nfs/dbraw/zinc/09/59/48/645095948.db2.gz FKFZTOLONFVHJH-UHFFFAOYSA-N 1 0 282.347 2.272 20 10 CECDRO COCCCn1nccc1C[NH2+]Cc1cc(C)ccc1O ZINC000858238961 645096129 /nfs/dbraw/zinc/09/61/29/645096129.db2.gz GATADQFENMLTDT-UHFFFAOYSA-N 1 0 289.379 2.223 20 10 CECDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(C)ccc2O)n1 ZINC000858327751 645120244 /nfs/dbraw/zinc/12/02/44/645120244.db2.gz YVKRKWSHMPUCKV-GXTWGEPZSA-N 1 0 289.335 2.012 20 10 CECDRO CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000858468187 645170270 /nfs/dbraw/zinc/17/02/70/645170270.db2.gz CNYSOVUMKGMPSJ-YESZJQIVSA-N 1 0 292.423 2.333 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)cc1 ZINC000858470369 645171689 /nfs/dbraw/zinc/17/16/89/645171689.db2.gz YYTOHJWFPOMBOC-IAOVAPTHSA-N 1 0 292.423 2.333 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000760884209 645206550 /nfs/dbraw/zinc/20/65/50/645206550.db2.gz FIXNYMICFTWSDV-CORIIIEPSA-N 1 0 265.353 2.237 20 10 CECDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000858588232 645215020 /nfs/dbraw/zinc/21/50/20/645215020.db2.gz XNBBJGTUWVJCSB-KKZNHRDASA-N 1 0 296.342 2.078 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CCc2ccn(C)n2)c1O ZINC000761226973 645259453 /nfs/dbraw/zinc/25/94/53/645259453.db2.gz YMSYTTPOSYBDJB-UHFFFAOYSA-N 1 0 279.771 2.420 20 10 CECDRO Cn1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)nn1 ZINC000761668873 645306995 /nfs/dbraw/zinc/30/69/95/645306995.db2.gz IPDDMXUUTOTHBZ-UHFFFAOYSA-N 1 0 286.379 2.466 20 10 CECDRO COc1cccc(O)c1C[NH2+]Cc1ccc(F)cn1 ZINC000763518299 645553248 /nfs/dbraw/zinc/55/32/48/645553248.db2.gz JEMJSDZXXQIKCZ-UHFFFAOYSA-N 1 0 262.284 2.225 20 10 CECDRO CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000860177639 645727482 /nfs/dbraw/zinc/72/74/82/645727482.db2.gz VGYVZCPFEPHXPR-KRWDZBQOSA-N 1 0 289.423 2.243 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@](C)(O)COC)cc1 ZINC000765934745 645822973 /nfs/dbraw/zinc/82/29/73/645822973.db2.gz CRLDIFBROSLOKD-CJNGLKHVSA-N 1 0 280.412 2.191 20 10 CECDRO C[C@@H](CO)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000766895459 645934079 /nfs/dbraw/zinc/93/40/79/645934079.db2.gz MRJCCBHQYKNFHA-CYBMUJFWSA-N 1 0 262.397 2.345 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCO[C@H](CC)C2)c(O)c1 ZINC000768239471 646099197 /nfs/dbraw/zinc/09/91/97/646099197.db2.gz WLVVQIUYECNGLJ-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO CC(C)[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC1CC1 ZINC000768439845 646122546 /nfs/dbraw/zinc/12/25/46/646122546.db2.gz NVHPQGBXXYKDCT-HNNXBMFYSA-N 1 0 277.364 2.438 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CC1)[C@@H](O)CO2 ZINC000768452754 646125337 /nfs/dbraw/zinc/12/53/37/646125337.db2.gz SJDYXEHMSAXQGJ-ZFWWWQNUSA-N 1 0 275.348 2.192 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]1C ZINC000768466022 646128547 /nfs/dbraw/zinc/12/85/47/646128547.db2.gz VNYTTXSUWUSDTR-HFAKWTLXSA-N 1 0 277.364 2.296 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1 ZINC000768519812 646134909 /nfs/dbraw/zinc/13/49/09/646134909.db2.gz XXIOTZUTVNMXAX-STQMWFEESA-N 1 0 279.380 2.384 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)c(O)c1 ZINC000768537649 646137266 /nfs/dbraw/zinc/13/72/66/646137266.db2.gz RIQGHVZKIQCGOW-NEPJUHHUSA-N 1 0 265.353 2.400 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccco2)cc1 ZINC000768841662 646171828 /nfs/dbraw/zinc/17/18/28/646171828.db2.gz MRDXQNVVDIODRF-HNNXBMFYSA-N 1 0 288.391 2.286 20 10 CECDRO CN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000769326191 646244693 /nfs/dbraw/zinc/24/46/93/646244693.db2.gz FPKWQNZMIOVYEV-QGZVFWFLSA-N 1 0 273.424 2.421 20 10 CECDRO CCOc1ccc(C[N@H+](C)[C@H]2CCOC2)c(O)c1 ZINC000769327648 646246153 /nfs/dbraw/zinc/24/61/53/646246153.db2.gz CYCCYBVQOAAYPE-LBPRGKRZSA-N 1 0 251.326 2.012 20 10 CECDRO CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC000769433699 646265152 /nfs/dbraw/zinc/26/51/52/646265152.db2.gz MSZDPLGEVPSZKC-OKILXGFUSA-N 1 0 263.337 2.154 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769446319 646267633 /nfs/dbraw/zinc/26/76/33/646267633.db2.gz MUQNEAWDIBXCJF-GFCCVEGCSA-N 1 0 252.333 2.112 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c(O)c1 ZINC000769485386 646276171 /nfs/dbraw/zinc/27/61/71/646276171.db2.gz PWELTUXIAWRNPB-OAHLLOKOSA-N 1 0 277.364 2.402 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(O)c1 ZINC000769531540 646283635 /nfs/dbraw/zinc/28/36/35/646283635.db2.gz GSJCQVYCBQJAKV-INIZCTEOSA-N 1 0 277.364 2.403 20 10 CECDRO CN(C)c1cc(F)c(C[N@H+](CCCO)C2CC2)cc1F ZINC000862243536 646376494 /nfs/dbraw/zinc/37/64/94/646376494.db2.gz MBPGBKVFLZRQJI-UHFFFAOYSA-N 1 0 284.350 2.378 20 10 CECDRO O=C([C@H]1CCC[N@@H+](Cc2ccccc2O)C1)N1CCCC1 ZINC000770509542 646400654 /nfs/dbraw/zinc/40/06/54/646400654.db2.gz DHUWPYVMJRMIGE-HNNXBMFYSA-N 1 0 288.391 2.227 20 10 CECDRO CN(C)c1cc(F)c(CN2CC[NH+]3CCC2CC3)cc1F ZINC000862367313 646417258 /nfs/dbraw/zinc/41/72/58/646417258.db2.gz DBSKWFQDJSDMCJ-UHFFFAOYSA-N 1 0 295.377 2.311 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000770665306 646423189 /nfs/dbraw/zinc/42/31/89/646423189.db2.gz IBMOSQACISJMLA-UHFFFAOYSA-N 1 0 294.370 2.325 20 10 CECDRO Oc1cccc(Br)c1C[N@@H+]1CCC2(COC2)C1 ZINC000862418728 646451866 /nfs/dbraw/zinc/45/18/66/646451866.db2.gz KUUSEZOIIXLWPF-UHFFFAOYSA-N 1 0 298.180 2.377 20 10 CECDRO Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1O ZINC000862529618 646484506 /nfs/dbraw/zinc/48/45/06/646484506.db2.gz WHDUTJMKIVMHKR-GOEBONIOSA-N 1 0 261.365 2.295 20 10 CECDRO CCOc1cccc(CN[C@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863484953 646740753 /nfs/dbraw/zinc/74/07/53/646740753.db2.gz QNNIHDOOAINSTN-YPMHNXCESA-N 1 0 264.369 2.021 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cc(F)ccc1O ZINC000863543246 646752086 /nfs/dbraw/zinc/75/20/86/646752086.db2.gz MHBIHSUMMBYZEL-JIMOISOXSA-N 1 0 252.333 2.322 20 10 CECDRO CCCOc1ccccc1NC[C@H](O)C[NH+]1CCCC1 ZINC000863556213 646755511 /nfs/dbraw/zinc/75/55/11/646755511.db2.gz OVCMBBQQJQDZMO-AWEZNQCLSA-N 1 0 278.396 2.344 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)cc1 ZINC000773729342 646770433 /nfs/dbraw/zinc/77/04/33/646770433.db2.gz JJBLVBHRHIUPAW-CQSZACIVSA-N 1 0 276.380 2.138 20 10 CECDRO COC1(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)CCCC1 ZINC000863642371 646775364 /nfs/dbraw/zinc/77/53/64/646775364.db2.gz ZUQVVGAIPXVHAT-INIZCTEOSA-N 1 0 291.439 2.301 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@]2(CCOC)CCOC2)c1 ZINC000775033205 646917673 /nfs/dbraw/zinc/91/76/73/646917673.db2.gz NJJLAARGMDDVRG-INIZCTEOSA-N 1 0 295.379 2.076 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccccc1O ZINC000775501082 646960813 /nfs/dbraw/zinc/96/08/13/646960813.db2.gz BRXWFASMBSCOTI-DZGCQCFKSA-N 1 0 278.396 2.154 20 10 CECDRO CCO[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000775634917 646974173 /nfs/dbraw/zinc/97/41/73/646974173.db2.gz ZMWMXHABRIBLRT-ZDUSSCGKSA-N 1 0 295.379 2.410 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C3CC3)C2)c1 ZINC000775681029 646979726 /nfs/dbraw/zinc/97/97/26/646979726.db2.gz MEJOYDRMTJIQOZ-AWEZNQCLSA-N 1 0 276.380 2.069 20 10 CECDRO COc1cc(O)c(C[N@H+](C)Cc2ccc[nH]2)cc1OC ZINC000775733878 646984880 /nfs/dbraw/zinc/98/48/80/646984880.db2.gz JXTJXWMPYRJQEN-UHFFFAOYSA-N 1 0 276.336 2.370 20 10 CECDRO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000775832341 646997245 /nfs/dbraw/zinc/99/72/45/646997245.db2.gz ZGSCSSGRLWTPLJ-GFCCVEGCSA-N 1 0 275.396 2.024 20 10 CECDRO C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)c1ccc(N(C)C)cc1 ZINC000775835620 646997772 /nfs/dbraw/zinc/99/77/72/646997772.db2.gz VMVGAGRYMJMPHO-CYBMUJFWSA-N 1 0 285.391 2.302 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2OC)c(O)c1 ZINC000775979194 647012523 /nfs/dbraw/zinc/01/25/23/647012523.db2.gz RQKSQTJWRXBGJA-FVQBIDKESA-N 1 0 295.379 2.073 20 10 CECDRO C[C@@H]1[C@H](C)N(Cc2ccc(N(C)C)c(F)c2)CC[N@H+]1C ZINC000775983988 647012960 /nfs/dbraw/zinc/01/29/60/647012960.db2.gz DUPKMDNQPNSEJR-OLZOCXBDSA-N 1 0 279.403 2.416 20 10 CECDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccc(N(C)C)cc2)CCN1C ZINC000775986904 647014276 /nfs/dbraw/zinc/01/42/76/647014276.db2.gz SNMLISOYSZIKOX-KGLIPLIRSA-N 1 0 261.413 2.277 20 10 CECDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCc1c(O)ccc2c1CCCC2 ZINC000864460806 647015620 /nfs/dbraw/zinc/01/56/20/647015620.db2.gz KCNLGFKONQYXIY-QMTHXVAHSA-N 1 0 273.380 2.293 20 10 CECDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCc1cc(Br)ccc1O ZINC000864467962 647022007 /nfs/dbraw/zinc/02/20/07/647022007.db2.gz CTVOICJMDQRHMR-XVKPBYJWSA-N 1 0 298.184 2.177 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@](C)(CO)COC)cc1F ZINC000777483799 647140250 /nfs/dbraw/zinc/14/02/50/647140250.db2.gz ZXJKEFPDCJKNKP-MRXNPFEDSA-N 1 0 298.402 2.159 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCn3ccnc3C2)cc1C ZINC000778187967 647206996 /nfs/dbraw/zinc/20/69/96/647206996.db2.gz OXYVPCSNFBAWFB-AWEZNQCLSA-N 1 0 271.364 2.310 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCCN(C)C1=O ZINC000778945453 647276198 /nfs/dbraw/zinc/27/61/98/647276198.db2.gz GRQKXUHBFMUNQQ-AWEZNQCLSA-N 1 0 276.380 2.225 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1 ZINC000779064241 647284405 /nfs/dbraw/zinc/28/44/05/647284405.db2.gz HPJYTHKFDUHKRK-VXGBXAGGSA-N 1 0 287.363 2.263 20 10 CECDRO CCN1CC[N@H+](Cc2cc(C)c(C)cc2O)C(C)(C)C1=O ZINC000779198694 647296217 /nfs/dbraw/zinc/29/62/17/647296217.db2.gz KIOBLDYZVBGIQL-UHFFFAOYSA-N 1 0 290.407 2.452 20 10 CECDRO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000779399141 647319272 /nfs/dbraw/zinc/31/92/72/647319272.db2.gz HJIMGHFOYNCJRZ-ZDUSSCGKSA-N 1 0 271.364 2.386 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H](C)CC1(C)OCCO1 ZINC000865675389 647418938 /nfs/dbraw/zinc/41/89/38/647418938.db2.gz ZJFJYIIDJBZCNZ-GFCCVEGCSA-N 1 0 295.379 2.280 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c(O)c1 ZINC000865690684 647424759 /nfs/dbraw/zinc/42/47/59/647424759.db2.gz LNJFEAYISYEESK-JTNHKYCSSA-N 1 0 265.353 2.446 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCC[C@@H]2O)cc1 ZINC000865736986 647445658 /nfs/dbraw/zinc/44/56/58/647445658.db2.gz XPXXVZQHCKRRLH-SWJNODNISA-N 1 0 260.381 2.269 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCCn3nccc32)c1O ZINC000865872934 647515481 /nfs/dbraw/zinc/51/54/81/647515481.db2.gz WYTXFZCCCFTURT-LBPRGKRZSA-N 1 0 273.336 2.222 20 10 CECDRO C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccccc1O ZINC000783524594 647724819 /nfs/dbraw/zinc/72/48/19/647724819.db2.gz HNDWJRMRFZTPTE-GFCCVEGCSA-N 1 0 297.420 2.258 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H](C)C[C@@H](C)O)CC2)cc1 ZINC000783535290 647725972 /nfs/dbraw/zinc/72/59/72/647725972.db2.gz LKXNXNMRCKKNME-ZIAGYGMSSA-N 1 0 292.423 2.413 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000783737108 647754545 /nfs/dbraw/zinc/75/45/45/647754545.db2.gz JUPHUWUHWNKMRO-TUAOUCFPSA-N 1 0 265.353 2.399 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1 ZINC000866463374 647795298 /nfs/dbraw/zinc/79/52/98/647795298.db2.gz NGQLYBXMURKFPW-JOAULVNJSA-N 1 0 293.285 2.363 20 10 CECDRO CCOc1ccc(N(CC2CC2)C[C@H]2C[NH2+]CCO2)cc1 ZINC000866673078 647864193 /nfs/dbraw/zinc/86/41/93/647864193.db2.gz QNOZDGRZMXJVLV-QGZVFWFLSA-N 1 0 290.407 2.290 20 10 CECDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000785987788 647975805 /nfs/dbraw/zinc/97/58/05/647975805.db2.gz IMVHDZDISARFTL-MDZLAQPJSA-N 1 0 293.363 2.102 20 10 CECDRO CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000868352007 648104776 /nfs/dbraw/zinc/10/47/76/648104776.db2.gz NEZKXIAEYCNIDH-LBPRGKRZSA-N 1 0 291.395 2.237 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1O ZINC000788271127 648167896 /nfs/dbraw/zinc/16/78/96/648167896.db2.gz YODKCHKVQUFAHU-CABZTGNLSA-N 1 0 255.745 2.309 20 10 CECDRO CCOc1ccc(C[NH2+]CCC[C@@H](C)O)c(O)c1 ZINC000788524546 648198842 /nfs/dbraw/zinc/19/88/42/648198842.db2.gz RNFUIXRPHLYTOZ-LLVKDONJSA-N 1 0 253.342 2.042 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c(O)c1 ZINC000788971054 648239600 /nfs/dbraw/zinc/23/96/00/648239600.db2.gz ANOFTWQARCLTTG-DGCLKSJQSA-N 1 0 265.353 2.042 20 10 CECDRO Oc1ccccc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000207895481 648542356 /nfs/dbraw/zinc/54/23/56/648542356.db2.gz LZVULFXZJVRHCQ-HOTGVXAUSA-N 1 0 255.317 2.140 20 10 CECDRO C[C@H](NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)c1ccccc1O ZINC000870988493 648971238 /nfs/dbraw/zinc/97/12/38/648971238.db2.gz QRXBUGPRYXNQGP-LEWSCRJBSA-N 1 0 274.364 2.100 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)O)cc1 ZINC000872200933 649312861 /nfs/dbraw/zinc/31/28/61/649312861.db2.gz NDIIXENWBOUXOU-INIZCTEOSA-N 1 0 294.439 2.144 20 10 CECDRO Oc1ccc2ccncc2c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872785532 649490404 /nfs/dbraw/zinc/49/04/04/649490404.db2.gz TWHIZVPEOTUTBG-BETUJISGSA-N 1 0 270.332 2.019 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC[C@H]2CCOC2=O)cc1 ZINC000873163597 649576650 /nfs/dbraw/zinc/57/66/50/649576650.db2.gz SSTUAKWVPAAXMA-AWEZNQCLSA-N 1 0 276.380 2.186 20 10 CECDRO COC(=O)CC1(C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000879649393 651335408 /nfs/dbraw/zinc/33/54/08/651335408.db2.gz PYSYKEOKJYFFAC-LLVKDONJSA-N 1 0 263.337 2.386 20 10 CECDRO C[C@@H]([NH2+]CCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000879649319 651335419 /nfs/dbraw/zinc/33/54/19/651335419.db2.gz NCICXCDKOFQFGR-MGPQQGTHSA-N 1 0 278.396 2.152 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2O)nn1 ZINC000879650653 651335640 /nfs/dbraw/zinc/33/56/40/651335640.db2.gz LZJYCTPCKAJWHK-JTQLQIEISA-N 1 0 259.309 2.042 20 10 CECDRO COc1cccc(C[NH2+]C2(C)CCOCC2)c1O ZINC000131191748 652394231 /nfs/dbraw/zinc/39/42/31/652394231.db2.gz BPLBKRNCGIBIHZ-UHFFFAOYSA-N 1 0 251.326 2.060 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C3CC3)CC2)cc1 ZINC000884011088 652630173 /nfs/dbraw/zinc/63/01/73/652630173.db2.gz SSVZBQPRIIIWLX-OAHLLOKOSA-N 1 0 287.407 2.059 20 10 CECDRO CCNC(=O)C[N@H+](CC)Cc1cc(Cl)ccc1O ZINC000133612573 652692872 /nfs/dbraw/zinc/69/28/72/652692872.db2.gz JACDNNXRUJZAAL-UHFFFAOYSA-N 1 0 270.760 2.004 20 10 CECDRO Cc1cc(C[NH2+][C@H](C)CC(N)=O)c(C)n1-c1ccccc1 ZINC000136099640 653042618 /nfs/dbraw/zinc/04/26/18/653042618.db2.gz LPUHOANRMRSMDV-GFCCVEGCSA-N 1 0 285.391 2.448 20 10 CECDRO C[C@]1([NH3+])CCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001204801189 806107912 /nfs/dbraw/zinc/10/79/12/806107912.db2.gz LCJWXLIPBJWEDA-LBPRGKRZSA-N 1 0 290.285 2.214 20 10 CECDRO COc1ccc2c(c1)C[C@H]([NH2+]CCc1ccc(O)c(O)c1)C2 ZINC001168235968 806426669 /nfs/dbraw/zinc/42/66/69/806426669.db2.gz OSNCWUWQRXXKCZ-OAHLLOKOSA-N 1 0 299.370 2.406 20 10 CECDRO CC[N@H+](Cc1cnc(C)n1C)Cc1ccccc1O ZINC001206795238 802405863 /nfs/dbraw/zinc/40/58/63/802405863.db2.gz VMXFEKBKBINEFV-UHFFFAOYSA-N 1 0 259.353 2.456 20 10 CECDRO C[C@H]1C[N@H+](Cc2c([O-])ccc(F)c2F)CCC[C@@H]1C[NH3+] ZINC001206026833 811842963 /nfs/dbraw/zinc/84/29/63/811842963.db2.gz UCCYUGVTZYMXPT-WDEREUQCSA-N 1 0 284.350 2.477 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724917390 803348254 /nfs/dbraw/zinc/34/82/54/803348254.db2.gz GRUSNDLAKAMHKA-YDGIUTOCSA-N 1 0 298.180 2.158 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](F)(CO)C2)c(O)c1 ZINC001140850216 803583443 /nfs/dbraw/zinc/58/34/43/803583443.db2.gz GUIOFHUFYSWUTM-MRXNPFEDSA-N 1 0 296.386 2.145 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1O ZINC000690800027 803617343 /nfs/dbraw/zinc/61/73/43/803617343.db2.gz WORUMWIYSBTYKI-LSDHHAIUSA-N 1 0 261.365 2.423 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)CCC[C@]1(C)O ZINC001141156690 803758044 /nfs/dbraw/zinc/75/80/44/803758044.db2.gz QTOKHTWGYLOMMY-NHYWBVRUSA-N 1 0 265.353 2.081 20 10 CECDRO C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[NH2+]1 ZINC001118237448 814995799 /nfs/dbraw/zinc/99/57/99/814995799.db2.gz YJOWFOTWSWVELG-AWEZNQCLSA-N 1 0 259.397 2.081 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)c1 ZINC000722334335 804304697 /nfs/dbraw/zinc/30/46/97/804304697.db2.gz SSPSWAOLPCBCSK-ZBFHGGJFSA-N 1 0 277.364 2.448 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c(O)c1 ZINC001119450230 815115207 /nfs/dbraw/zinc/11/52/07/815115207.db2.gz FKFLRFRJRFMHSN-HNNXBMFYSA-N 1 0 291.391 2.064 20 10 CECDRO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(F)cc1[O-] ZINC000716662811 815139401 /nfs/dbraw/zinc/13/94/01/815139401.db2.gz ROOKOUDWUJGRDA-OIBJUYFYSA-N 1 0 263.259 2.198 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](O)C(F)F)c(O)c1 ZINC000716775366 815146906 /nfs/dbraw/zinc/14/69/06/815146906.db2.gz UEOKFEVKLPSOKH-KOLCDFICSA-N 1 0 259.296 2.367 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2COC[C@H]2C)c1O ZINC000699846509 807877132 /nfs/dbraw/zinc/87/71/32/807877132.db2.gz IQEGEMYVMBSZSY-LDYMZIIASA-N 1 0 271.744 2.179 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1([NH3+])CCCC1 ZINC000037807437 807909722 /nfs/dbraw/zinc/90/97/22/807909722.db2.gz FWJBZDFNQFHQFV-UHFFFAOYSA-N 1 0 289.423 2.373 20 10 CECDRO CC[C@H]([NH3+])CN(C)Cc1cc(Br)ccc1O ZINC001236865307 808180354 /nfs/dbraw/zinc/18/03/54/808180354.db2.gz IIIORDMTXFZNMN-NSHDSACASA-N 1 0 287.201 2.324 20 10 CECDRO Nc1ccc(C[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC001120370558 815217568 /nfs/dbraw/zinc/21/75/68/815217568.db2.gz AIUYQINLXSNKOQ-OAHLLOKOSA-N 1 0 254.333 2.362 20 10 CECDRO OCCCSCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921698182 808831520 /nfs/dbraw/zinc/83/15/20/808831520.db2.gz PNFWCBCXNUZIMH-UHFFFAOYSA-N 1 0 281.421 2.217 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2CCC[C@]23CCN(C)C3=O)c1O ZINC001273049019 809182021 /nfs/dbraw/zinc/18/20/21/809182021.db2.gz ICSKVFFUTOKGIM-QGZVFWFLSA-N 1 0 288.391 2.206 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1 ZINC000701730112 809455715 /nfs/dbraw/zinc/45/57/15/809455715.db2.gz RXDIRPSZXZIWMQ-CQSZACIVSA-N 1 0 265.353 2.400 20 10 CECDRO C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703339926 809642398 /nfs/dbraw/zinc/64/23/98/809642398.db2.gz DXJDMOKWJUOGEV-NSHDSACASA-N 1 0 284.350 2.492 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCN3C(=O)CC[C@@H]3C2)cc1C ZINC001172163251 815325282 /nfs/dbraw/zinc/32/52/82/815325282.db2.gz UUXMCEQMAPRGAY-LSDHHAIUSA-N 1 0 288.391 2.247 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)c1 ZINC000708664231 809933284 /nfs/dbraw/zinc/93/32/84/809933284.db2.gz AHJHUHIAVRICPF-GMXVVIOVSA-N 1 0 265.353 2.476 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)c1O ZINC000709309431 809960019 /nfs/dbraw/zinc/96/00/19/809960019.db2.gz UXZMZKNDDCWIPR-VOJFVSQTSA-N 1 0 269.410 2.153 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)c1O ZINC000709309430 809960062 /nfs/dbraw/zinc/96/00/62/809960062.db2.gz UXZMZKNDDCWIPR-BBATYDOGSA-N 1 0 269.410 2.153 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H](O)C23CCOCC3)cc1C ZINC000923017830 810055579 /nfs/dbraw/zinc/05/55/79/810055579.db2.gz BZIRPOJXRDHCDQ-CVEARBPZSA-N 1 0 291.391 2.029 20 10 CECDRO Cc1cc(CN2CCC[C@H]3C[NH2+]C[C@H]32)ccc1N(C)C ZINC000923360049 810089264 /nfs/dbraw/zinc/08/92/64/810089264.db2.gz FYXCNRKEZRLELH-DOTOQJQBSA-N 1 0 273.424 2.245 20 10 CECDRO COc1cc(N(C)C)ccc1CN1CC[C@H]2[C@@H]1CC[N@@H+]2C ZINC001276368882 810464132 /nfs/dbraw/zinc/46/41/32/810464132.db2.gz OUDARNBOMXSKHD-HOTGVXAUSA-N 1 0 289.423 2.040 20 10 CECDRO C[NH+](C)C1(C)CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC001122224582 815394080 /nfs/dbraw/zinc/39/40/80/815394080.db2.gz NANWXPRHDIDEAZ-UHFFFAOYSA-N 1 0 289.423 2.190 20 10 CECDRO C[C@@H](O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000691413061 811103578 /nfs/dbraw/zinc/10/35/78/811103578.db2.gz GHYOGMCDDRRWGM-MRVPVSSYSA-N 1 0 274.158 2.015 20 10 CECDRO CC(C)OCC[C@@H](C)[NH2+]Cc1ccc(O)cc1O ZINC001172450641 815441873 /nfs/dbraw/zinc/44/18/73/815441873.db2.gz YWJZNGAYCNKAPL-LLVKDONJSA-N 1 0 253.342 2.391 20 10 CECDRO CCc1cccc(C[NH2+]Cc2snnc2C)c1O ZINC000691434209 811756359 /nfs/dbraw/zinc/75/63/59/811756359.db2.gz LRODFJZLIAIYQO-UHFFFAOYSA-N 1 0 263.366 2.404 20 10 CECDRO CC(C)(O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000691453562 811858042 /nfs/dbraw/zinc/85/80/42/811858042.db2.gz ISDARAVZFRKRPI-UHFFFAOYSA-N 1 0 288.185 2.405 20 10 CECDRO C[C@@H](C[NH2+]Cc1ccc(Br)cc1O)N(C)C ZINC000691456319 811861260 /nfs/dbraw/zinc/86/12/60/811861260.db2.gz SKFOJGJFXLMHGB-VIFPVBQESA-N 1 0 287.201 2.194 20 10 CECDRO CCc1cccc(C[NH2+]CC(C)(C)N(C)C)c1O ZINC000691481259 811920738 /nfs/dbraw/zinc/92/07/38/811920738.db2.gz GLRPTOYQBQURRX-UHFFFAOYSA-N 1 0 250.386 2.384 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+]CCN1CCCC1 ZINC000691487269 811958021 /nfs/dbraw/zinc/95/80/21/811958021.db2.gz JROOLEDLZIANDM-UHFFFAOYSA-N 1 0 299.212 2.340 20 10 CECDRO Cc1ccc(C)n1-c1ccc(NC[C@@H]2COCC[NH2+]2)cc1 ZINC001170045220 812000205 /nfs/dbraw/zinc/00/02/05/812000205.db2.gz QWZGKQLBVWYLGF-MRXNPFEDSA-N 1 0 285.391 2.494 20 10 CECDRO CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC001172742857 815498969 /nfs/dbraw/zinc/49/89/69/815498969.db2.gz AFHRYJLAFPJEJI-NSHDSACASA-N 1 0 281.352 2.308 20 10 CECDRO CC(C)[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000399783426 812264453 /nfs/dbraw/zinc/26/44/53/812264453.db2.gz WILAMQREZCWWJJ-BBRMVZONSA-N 1 0 291.439 2.330 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c(O)c1 ZINC000384542040 812430397 /nfs/dbraw/zinc/43/03/97/812430397.db2.gz FAFGOTCUDYTRMO-OPQQBVKSSA-N 1 0 251.326 2.056 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(C)=O)C2)cc1C ZINC001086628661 812529374 /nfs/dbraw/zinc/52/93/74/812529374.db2.gz RWMSPJOIIFMCJF-JKSUJKDBSA-N 1 0 290.407 2.398 20 10 CECDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001172924077 815546407 /nfs/dbraw/zinc/54/64/07/815546407.db2.gz REIQKYWBIPHPQS-NWDGAFQWSA-N 1 0 251.326 2.145 20 10 CECDRO [NH3+][C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1F ZINC001206185997 815567836 /nfs/dbraw/zinc/56/78/36/815567836.db2.gz PQULNPHMOZLYPQ-RYUDHWBXSA-N 1 0 272.751 2.307 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c(C)cnn2C)c1 ZINC000394076538 813336341 /nfs/dbraw/zinc/33/63/41/813336341.db2.gz BUOMVHDCSOQMDD-NSHDSACASA-N 1 0 275.352 2.294 20 10 CECDRO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCOC1 ZINC000394312945 813374734 /nfs/dbraw/zinc/37/47/34/813374734.db2.gz DPRUTGPGPAHXTP-CYBMUJFWSA-N 1 0 281.327 2.345 20 10 CECDRO CSC[C@](C)(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000217866525 813435907 /nfs/dbraw/zinc/43/59/07/813435907.db2.gz CPEQPRFNWGTKQK-GFCCVEGCSA-N 1 0 275.801 2.249 20 10 CECDRO CC1(C)CN(Cc2c(O)cccc2Cl)CC[NH2+]1 ZINC000396123749 813558083 /nfs/dbraw/zinc/55/80/83/813558083.db2.gz VCSMSGPLEUPFDB-UHFFFAOYSA-N 1 0 254.761 2.229 20 10 CECDRO Cc1cc(C)c(C[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000397064859 813596341 /nfs/dbraw/zinc/59/63/41/813596341.db2.gz SVXTYUJYORABNH-UHFFFAOYSA-N 1 0 286.331 2.423 20 10 CECDRO CCOC(=O)CN(CC[NH3+])c1ccc(OC(C)C)cc1C ZINC001170996584 813732411 /nfs/dbraw/zinc/73/24/11/813732411.db2.gz URBHXACNDJMOOI-UHFFFAOYSA-N 1 0 294.395 2.110 20 10 CECDRO C[C@H](CC(F)(F)F)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001255633420 813818958 /nfs/dbraw/zinc/81/89/58/813818958.db2.gz RUIXQWGFDDYYTF-HQJQHLMTSA-N 1 0 279.258 2.062 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@@H](F)C2)c(O)c1 ZINC001144500353 814091077 /nfs/dbraw/zinc/09/10/77/814091077.db2.gz SLFRFMOWKKOUAV-SECBINFHSA-N 1 0 255.289 2.127 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@@H](C)C1 ZINC001144514450 814098460 /nfs/dbraw/zinc/09/84/60/814098460.db2.gz FBTPPAFABGTNML-ZJUUUORDSA-N 1 0 251.326 2.424 20 10 CECDRO COC[C@@]12CCC[C@@H]1C[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509721 814098876 /nfs/dbraw/zinc/09/88/76/814098876.db2.gz JHGHECXKMFKGSS-BZNIZROVSA-N 1 0 293.363 2.052 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@](C)(CO)C2)ccc1N(C)C ZINC001139669636 815618990 /nfs/dbraw/zinc/61/89/90/815618990.db2.gz FGDSFUQKDITCKD-INIZCTEOSA-N 1 0 262.397 2.265 20 10 CECDRO COC(=O)C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674100 814643859 /nfs/dbraw/zinc/64/38/59/814643859.db2.gz NSQXDJJSWKBSJL-OAHLLOKOSA-N 1 0 290.407 2.446 20 10 CECDRO Cc1cc(C[NH+]2CC(C3COC3)C2)ccc1N(C)C ZINC001139669784 815624420 /nfs/dbraw/zinc/62/44/20/815624420.db2.gz NPZHSZBKUTZALE-UHFFFAOYSA-N 1 0 260.381 2.139 20 10 CECDRO CC[C@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)C1 ZINC001173265710 815645230 /nfs/dbraw/zinc/64/52/30/815645230.db2.gz VDWATKALLSPZJA-WBIUFABUSA-N 1 0 265.353 2.300 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])[C@@H]1CO ZINC001138122498 815730859 /nfs/dbraw/zinc/73/08/59/815730859.db2.gz JIMPKDLDHMKSRY-ZWNOBZJWSA-N 1 0 253.317 2.124 20 10 CECDRO CC[N@H+](C)C1CCN(Cc2cccc(F)c2O)CC1 ZINC001138131404 815736100 /nfs/dbraw/zinc/73/61/00/815736100.db2.gz ZDMBVQDXMKSEBX-UHFFFAOYSA-N 1 0 266.360 2.447 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c2ccccc2n1C ZINC001138252303 815755109 /nfs/dbraw/zinc/75/51/09/815755109.db2.gz BADAJNOCMJWQCG-GOEBONIOSA-N 1 0 276.355 2.391 20 10 CECDRO CC(=O)N[C@@H]1CC[N@@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138259378 815756384 /nfs/dbraw/zinc/75/63/84/815756384.db2.gz HVQOMAWQRNTOCI-CQSZACIVSA-N 1 0 285.391 2.197 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](O)C2)c(OC)c1 ZINC001138388543 815785919 /nfs/dbraw/zinc/78/59/19/815785919.db2.gz XGCGWNSDRKUJNU-MRXNPFEDSA-N 1 0 292.423 2.498 20 10 CECDRO CCN(CC[NH+]1CCCC1)Cc1cc(F)ccc1O ZINC001140055198 816179231 /nfs/dbraw/zinc/17/92/31/816179231.db2.gz NKEBXWUQGSLCLG-UHFFFAOYSA-N 1 0 266.360 2.449 20 10 CECDRO Cc1ccc(C)c(CN2CC([NH+]3CCCC3)C2)c1O ZINC001140178942 816204882 /nfs/dbraw/zinc/20/48/82/816204882.db2.gz DKFMAEIUAHGHSA-UHFFFAOYSA-N 1 0 260.381 2.289 20 10 CECDRO CC[N@H+](CCC(=O)OC)Cc1c(C)ccc(C)c1O ZINC001140184633 816205824 /nfs/dbraw/zinc/20/58/24/816205824.db2.gz CGRBNGNICMZHCZ-UHFFFAOYSA-N 1 0 265.353 2.394 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c1O ZINC001140180153 816206361 /nfs/dbraw/zinc/20/63/61/816206361.db2.gz TXTPONTWCLVTPK-AWEZNQCLSA-N 1 0 290.407 2.309 20 10 CECDRO CC[N@H+](CCC(=O)OC)Cc1ccc(Cl)cc1O ZINC001140464058 816259512 /nfs/dbraw/zinc/25/95/12/816259512.db2.gz AJVQJHDVCPQUOM-UHFFFAOYSA-N 1 0 271.744 2.431 20 10 CECDRO O=C1NC[C@]2(CCC[N@@H+](Cc3ccc(Cl)cc3O)C2)O1 ZINC001140464744 816259677 /nfs/dbraw/zinc/25/96/77/816259677.db2.gz BTLOOUQBIRBXRY-AWEZNQCLSA-N 1 0 296.754 2.120 20 10 CECDRO C[NH+](C)C1(C)CN(Cc2ccc(Cl)cc2O)C1 ZINC001140464726 816260162 /nfs/dbraw/zinc/26/01/62/816260162.db2.gz BGZGUUJLTQUEAL-UHFFFAOYSA-N 1 0 254.761 2.182 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c1 ZINC001140624104 816306200 /nfs/dbraw/zinc/30/62/00/816306200.db2.gz GICBWRFJDSXUAF-AWEZNQCLSA-N 1 0 285.347 2.144 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC3(CCCC(=O)N3)CC2)c1 ZINC001140621382 816306724 /nfs/dbraw/zinc/30/67/24/816306724.db2.gz IGVYOQMYUHBIAL-UHFFFAOYSA-N 1 0 288.391 2.335 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)c1O ZINC001140744382 816339954 /nfs/dbraw/zinc/33/99/54/816339954.db2.gz VVVRLCOIYSTAPQ-SNVBAGLBSA-N 1 0 263.337 2.207 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c1O ZINC001140747973 816341019 /nfs/dbraw/zinc/34/10/19/816341019.db2.gz PTLLBNXJMGGKKI-TXEJJXNPSA-N 1 0 299.317 2.120 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140747961 816341033 /nfs/dbraw/zinc/34/10/33/816341033.db2.gz PLAMWVJQTHHCGK-LBPRGKRZSA-N 1 0 293.363 2.181 20 10 CECDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC001140748021 816341784 /nfs/dbraw/zinc/34/17/84/816341784.db2.gz RNPHCMZPXIFWNG-CYBMUJFWSA-N 1 0 265.353 2.406 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](OC)C2)c(O)c1 ZINC001140850759 816383472 /nfs/dbraw/zinc/38/34/72/816383472.db2.gz STHOADYBVTYQPE-OAHLLOKOSA-N 1 0 278.396 2.459 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC001140855149 816383768 /nfs/dbraw/zinc/38/37/68/816383768.db2.gz OZTICNANJIUYMY-CYBMUJFWSA-N 1 0 278.396 2.053 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCN3CC[C@H]3C2)c(O)c1 ZINC001140856833 816385616 /nfs/dbraw/zinc/38/56/16/816385616.db2.gz OAOKJNWDNJFXIJ-INIZCTEOSA-N 1 0 289.423 2.128 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3nccnc3C)C2)c(O)c1 ZINC001140954446 816423525 /nfs/dbraw/zinc/42/35/25/816423525.db2.gz 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CCN(C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592478009 345358789 /nfs/dbraw/zinc/35/87/89/345358789.db2.gz STQQLCIQBJUEQE-CYBMUJFWSA-N 1 0 298.390 2.386 20 10 CECDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCOc2ccccc21 ZINC000388570443 540328716 /nfs/dbraw/zinc/32/87/16/540328716.db2.gz NRXOPQDZMHBVKB-UHFFFAOYSA-N 1 0 294.354 2.372 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@](C)([NH3+])c2ccccc2)cc1 ZINC000237085549 370689175 /nfs/dbraw/zinc/68/91/75/370689175.db2.gz ZXNBQMZMKGONFE-GOSISDBHSA-N 1 0 297.402 2.243 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000019963698 361571979 /nfs/dbraw/zinc/57/19/79/361571979.db2.gz CMZGXSDLXSDVGU-ZYHUDNBSSA-N 1 0 251.326 2.230 20 10 CECDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092456329 364077687 /nfs/dbraw/zinc/07/76/87/364077687.db2.gz TZBSKXVFCHPAQG-CYBMUJFWSA-N 1 0 277.364 2.476 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](C)CO)c1O ZINC000169089457 367365204 /nfs/dbraw/zinc/36/52/04/367365204.db2.gz VNQBZCSHNALDRI-DTWKUNHWSA-N 1 0 273.760 2.161 20 10 CECDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180170867 368369524 /nfs/dbraw/zinc/36/95/24/368369524.db2.gz MZHHCRRAQOXSQF-MFKMUULPSA-N 1 0 253.317 2.267 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](OCCOC)C2)c1 ZINC000188814540 369412283 /nfs/dbraw/zinc/41/22/83/369412283.db2.gz XDCXFGWPJWZYRH-OAHLLOKOSA-N 1 0 295.379 2.028 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000188995782 369440257 /nfs/dbraw/zinc/44/02/57/369440257.db2.gz LFPGBGPENBMODQ-SWLSCSKDSA-N 1 0 277.412 2.270 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(CO)c2)c1 ZINC000226648006 370350816 /nfs/dbraw/zinc/35/08/16/370350816.db2.gz MEGRHQFPKYTESP-UHFFFAOYSA-N 1 0 257.333 2.483 20 10 CECDRO COC[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)OC ZINC000230672156 370463184 /nfs/dbraw/zinc/46/31/84/370463184.db2.gz JXJSSYPIJARHBM-NEPJUHHUSA-N 1 0 253.342 2.013 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCSC2)c1O ZINC000230705107 370466335 /nfs/dbraw/zinc/46/63/35/370466335.db2.gz OUGAWLJRMNXZSQ-LLVKDONJSA-N 1 0 253.367 2.386 20 10 CECDRO COc1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1O ZINC000246779274 371009013 /nfs/dbraw/zinc/00/90/13/371009013.db2.gz QCXHNQYGNVSMGD-TZMCWYRMSA-N 1 0 295.404 2.107 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1 ZINC000246783548 371009949 /nfs/dbraw/zinc/00/99/49/371009949.db2.gz QHLHAPBHPGJOGN-CVEARBPZSA-N 1 0 292.448 2.459 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268802954 372230641 /nfs/dbraw/zinc/23/06/41/372230641.db2.gz DZXNSTASFIFWFY-HIFRSBDPSA-N 1 0 275.396 2.024 20 10 CECDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000268877902 372267441 /nfs/dbraw/zinc/26/74/41/372267441.db2.gz QVFCRPANTAPWFV-QWHCGFSZSA-N 1 0 296.386 2.175 20 10 CECDRO CCCOc1ccc(C[NH2+]C(C)(C)[C@H](C)O)c(O)c1 ZINC000270705280 372910720 /nfs/dbraw/zinc/91/07/20/372910720.db2.gz JOWNVJZBOCSOQQ-NSHDSACASA-N 1 0 267.369 2.430 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000270997754 373056638 /nfs/dbraw/zinc/05/66/38/373056638.db2.gz KFLZULXQIRONMG-MRXNPFEDSA-N 1 0 262.397 2.490 20 10 CECDRO COc1cc(O)c(C[N@H+](CCO)C2CCCC2)cc1OC ZINC000271772721 373200907 /nfs/dbraw/zinc/20/09/07/373200907.db2.gz FPHOYYSLYZVXOS-UHFFFAOYSA-N 1 0 295.379 2.146 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](CO)C1 ZINC000271834968 373204218 /nfs/dbraw/zinc/20/42/18/373204218.db2.gz RRNZVPPHPUBCJH-JTQLQIEISA-N 1 0 255.745 2.250 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000271834969 373204781 /nfs/dbraw/zinc/20/47/81/373204781.db2.gz RRNZVPPHPUBCJH-SNVBAGLBSA-N 1 0 255.745 2.250 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCCn2ccnc2C)c1 ZINC000271971977 373241761 /nfs/dbraw/zinc/24/17/61/373241761.db2.gz CJYLUOLFYIUMER-UHFFFAOYSA-N 1 0 275.352 2.086 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CCc2cnccn2)cc1F ZINC000272719879 373630447 /nfs/dbraw/zinc/63/04/47/373630447.db2.gz FBJZTZSAAPVSDI-UHFFFAOYSA-N 1 0 288.370 2.356 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cccc(C)c2O)C[C@]2(CCOC2)O1 ZINC000370210474 373607624 /nfs/dbraw/zinc/60/76/24/373607624.db2.gz QEFFUGOZUBLGDK-RDJZCZTQSA-N 1 0 291.391 2.471 20 10 CECDRO CNC(=O)C1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000272931939 373719986 /nfs/dbraw/zinc/71/99/86/373719986.db2.gz ZQMLASCOSGVROP-PNESKVBLSA-N 1 0 276.380 2.348 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2(C)OCCO2)c(O)c1C ZINC000273536986 373762381 /nfs/dbraw/zinc/76/23/81/373762381.db2.gz XOXOSNYEHHOLCD-LBPRGKRZSA-N 1 0 265.353 2.423 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCS(C)(=O)=O)c(O)c1C ZINC000273601728 373766635 /nfs/dbraw/zinc/76/66/35/373766635.db2.gz SBAKNRRZLAFCTM-LBPRGKRZSA-N 1 0 285.409 2.094 20 10 CECDRO CCOc1ccc(O)c(CN2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000371487910 373899742 /nfs/dbraw/zinc/89/97/42/373899742.db2.gz IACQDRYRBXWUMV-XJKSGUPXSA-N 1 0 290.407 2.317 20 10 CECDRO CCOc1ccc(O)c(CN2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000371487907 373900964 /nfs/dbraw/zinc/90/09/64/373900964.db2.gz IACQDRYRBXWUMV-BBRMVZONSA-N 1 0 290.407 2.317 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274270346 373860804 /nfs/dbraw/zinc/86/08/04/373860804.db2.gz QPTXZBNBOQXHOX-UHFFFAOYSA-N 1 0 289.404 2.335 20 10 CECDRO COC(C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1)OC ZINC000372550875 374154334 /nfs/dbraw/zinc/15/43/34/374154334.db2.gz FPVSAKCLYGMVCQ-UHFFFAOYSA-N 1 0 276.380 2.071 20 10 CECDRO Cc1cccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1O ZINC000375472599 374660606 /nfs/dbraw/zinc/66/06/06/374660606.db2.gz WZIBSEGEINBOLY-LSDHHAIUSA-N 1 0 289.375 2.271 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)CCOC)cc1F ZINC000282104366 375402925 /nfs/dbraw/zinc/40/29/25/375402925.db2.gz DJCCZXDBTSSRTA-CQSZACIVSA-N 1 0 298.402 2.159 20 10 CECDRO CC[C@H](N[C@@H](C)c1ncn(C)n1)c1ccc(F)cc1O ZINC000287375823 376218314 /nfs/dbraw/zinc/21/83/14/376218314.db2.gz HZGHJHJULFOYJD-CABZTGNLSA-N 1 0 278.331 2.462 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCCSC1)OCO2 ZINC000288402376 376377067 /nfs/dbraw/zinc/37/70/67/376377067.db2.gz IAKIAJITWRCUHH-JTQLQIEISA-N 1 0 281.377 2.354 20 10 CECDRO CC(C)SCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000290036632 376613532 /nfs/dbraw/zinc/61/35/32/376613532.db2.gz FMACIEXHEFTBJU-UHFFFAOYSA-N 1 0 269.366 2.352 20 10 CECDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293677674 377693638 /nfs/dbraw/zinc/69/36/38/377693638.db2.gz KDZAZHUYONOCTP-VXGBXAGGSA-N 1 0 264.369 2.184 20 10 CECDRO CCC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000293801327 377765492 /nfs/dbraw/zinc/76/54/92/377765492.db2.gz YGSOKXJAXRDJBL-LLVKDONJSA-N 1 0 267.325 2.026 20 10 CECDRO CC[C@H](C)[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000294115507 377910411 /nfs/dbraw/zinc/91/04/11/377910411.db2.gz DFXDIFZVMOOCEC-BONVTDFDSA-N 1 0 281.352 2.272 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2ncccc2C)c1 ZINC000294690182 378011148 /nfs/dbraw/zinc/01/11/48/378011148.db2.gz ANVXUVBJWNWBBV-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO C[NH+](C)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294330762 377981445 /nfs/dbraw/zinc/98/14/45/377981445.db2.gz RQXWYKWFIXMSCB-UHFFFAOYSA-N 1 0 260.740 2.226 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC(O)CC2)c(O)c1C ZINC000296078415 378410945 /nfs/dbraw/zinc/41/09/45/378410945.db2.gz XDACFCXNTZZSHA-CQSZACIVSA-N 1 0 292.423 2.116 20 10 CECDRO CCCN(Cc1nccnc1OC)c1ccc(C[NH3+])cc1 ZINC000296671709 378612404 /nfs/dbraw/zinc/61/24/04/378612404.db2.gz GFIRODGSSIQHKR-UHFFFAOYSA-N 1 0 286.379 2.361 20 10 CECDRO CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185438710 262054446 /nfs/dbraw/zinc/05/44/46/262054446.db2.gz ZKOGZCWKLILRRZ-ZETOZRRWSA-N 1 0 267.369 2.458 20 10 CECDRO C[C@@H](O)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000092969095 394664395 /nfs/dbraw/zinc/66/43/95/394664395.db2.gz DBVHFUDQDRCOKG-CYBMUJFWSA-N 1 0 262.397 2.345 20 10 CECDRO CC[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264471524 394639536 /nfs/dbraw/zinc/63/95/36/394639536.db2.gz RVVDFGGDCDTABY-INIZCTEOSA-N 1 0 262.397 2.488 20 10 CECDRO C[C@H](CNC(=O)N(C)Cc1ccccc1O)[N@H+](C)C1CC1 ZINC000105267343 394721919 /nfs/dbraw/zinc/72/19/19/394721919.db2.gz SVMCYJLEQWHMIN-GFCCVEGCSA-N 1 0 291.395 2.016 20 10 CECDRO COc1ccc(N2CC[NH+](C(C)C)CC2)cc1F ZINC000121979448 394806995 /nfs/dbraw/zinc/80/69/95/394806995.db2.gz ZPWCTRHHJGSQKX-UHFFFAOYSA-N 1 0 252.333 2.365 20 10 CECDRO COc1cccc(C[N@@H+]2CCOCC2(C)C)c1O ZINC000133548392 394953664 /nfs/dbraw/zinc/95/36/64/394953664.db2.gz IANDZCHGGNUSES-UHFFFAOYSA-N 1 0 251.326 2.012 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000366904794 394954115 /nfs/dbraw/zinc/95/41/15/394954115.db2.gz CDKZOHKYJAPSGX-GOEBONIOSA-N 1 0 260.381 2.363 20 10 CECDRO CC[C@@H]1CO[C@H](C)CN1Cc1cc2c(cc1O)OCO2 ZINC000131513617 394912765 /nfs/dbraw/zinc/91/27/65/394912765.db2.gz SKQACKSKQZDFOL-ZYHUDNBSSA-N 1 0 279.336 2.120 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCO[C@@H](CC)C2)c1O ZINC000132016989 394924365 /nfs/dbraw/zinc/92/43/65/394924365.db2.gz FAGBPCMSNPYLRL-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC12CCC2 ZINC000376470186 395121223 /nfs/dbraw/zinc/12/12/23/395121223.db2.gz ABBZZPNLEWHUDM-ZDUSSCGKSA-N 1 0 293.338 2.306 20 10 CECDRO CC(C)[N@H+](C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174516611 395125262 /nfs/dbraw/zinc/12/52/62/395125262.db2.gz YLLGWJQXURRUHG-UHFFFAOYSA-N 1 0 290.407 2.227 20 10 CECDRO CN(CC[N@H+](C)C1CC1)Cc1cc(F)ccc1O ZINC000290548749 395107535 /nfs/dbraw/zinc/10/75/35/395107535.db2.gz RQJGGGNJTVXVCJ-UHFFFAOYSA-N 1 0 252.333 2.057 20 10 CECDRO CCC[C@H]([NH3+])C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000178711623 395171990 /nfs/dbraw/zinc/17/19/90/395171990.db2.gz FCLPFQBKTOSLFB-HNNXBMFYSA-N 1 0 277.412 2.276 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000178711700 395172539 /nfs/dbraw/zinc/17/25/39/395172539.db2.gz LWBUNWZDHPBQRW-HUUCEWRRSA-N 1 0 289.423 2.276 20 10 CECDRO CC[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(N(C)C)cc1 ZINC000183205600 395253270 /nfs/dbraw/zinc/25/32/70/395253270.db2.gz BGQGPAXHSKACEQ-CQSZACIVSA-N 1 0 277.412 2.305 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000182653494 395246865 /nfs/dbraw/zinc/24/68/65/395246865.db2.gz QRLHYZKVTOCBBL-GOSISDBHSA-N 1 0 299.370 2.324 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000179373437 395191881 /nfs/dbraw/zinc/19/18/81/395191881.db2.gz LYZPRICEWZHJSI-CYBMUJFWSA-N 1 0 277.364 2.286 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)[C@H](O)C(F)F)c1 ZINC000294955524 395281870 /nfs/dbraw/zinc/28/18/70/395281870.db2.gz DMILLKQZVIORLE-YPMHNXCESA-N 1 0 289.322 2.285 20 10 CECDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(N(C)C)cc1 ZINC000282390097 287019655 /nfs/dbraw/zinc/01/96/55/287019655.db2.gz RDBCQVOEJZYBHV-CWTRNNRKSA-N 1 0 280.437 2.314 20 10 CECDRO COc1cccc(C[NH2+]Cc2ncc(C)s2)c1O ZINC000230687120 414846736 /nfs/dbraw/zinc/84/67/36/414846736.db2.gz LGUGRRFROSWVEW-UHFFFAOYSA-N 1 0 264.350 2.456 20 10 CECDRO Cc1cccc(N(C)C(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)c1 ZINC000662467261 415853972 /nfs/dbraw/zinc/85/39/72/415853972.db2.gz BYNKTDOBBSVIRX-GFCCVEGCSA-N 1 0 284.363 2.072 20 10 CECDRO COCCC[NH2+]Cc1cc(Br)ccc1O ZINC000076275396 176968057 /nfs/dbraw/zinc/96/80/57/176968057.db2.gz OHKAXKHJONEBCW-UHFFFAOYSA-N 1 0 274.158 2.281 20 10 CECDRO CCC[N@H+](CCC(=O)NCC)Cc1ccccc1O ZINC000075829148 260291845 /nfs/dbraw/zinc/29/18/45/260291845.db2.gz LAIUIDMYFLKNIX-UHFFFAOYSA-N 1 0 264.369 2.130 20 10 CECDRO Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC000152225505 261061696 /nfs/dbraw/zinc/06/16/96/261061696.db2.gz HUXASDNSNHQCFC-AWEZNQCLSA-N 1 0 283.375 2.267 20 10 CECDRO Nc1ccc(CC(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000163607825 261322956 /nfs/dbraw/zinc/32/29/56/261322956.db2.gz PNYNADNGQAWECF-UHFFFAOYSA-N 1 0 289.423 2.194 20 10 CECDRO C[C@H]([NH2+]CCN1CCOCC1(C)C)c1cc(F)ccc1O ZINC000185334139 262050657 /nfs/dbraw/zinc/05/06/57/262050657.db2.gz FXZXWEIGLXDHSB-LBPRGKRZSA-N 1 0 296.386 2.293 20 10 CECDRO CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000186110892 262079692 /nfs/dbraw/zinc/07/96/92/262079692.db2.gz AIWLSAUPPXWWLJ-CHWSQXEVSA-N 1 0 291.395 2.155 20 10 CECDRO CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)c1ccccc1O ZINC000185214247 262302501 /nfs/dbraw/zinc/30/25/01/262302501.db2.gz OMPOOZVQDMZWLC-GFCCVEGCSA-N 1 0 264.369 2.205 20 10 CECDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185467683 262305072 /nfs/dbraw/zinc/30/50/72/262305072.db2.gz QNZIWECOGNTLQQ-SWLSCSKDSA-N 1 0 267.369 2.139 20 10 CECDRO CC[N@H+](CCCO)Cc1ccc(N(C)C)c(C)c1 ZINC000292716024 263134141 /nfs/dbraw/zinc/13/41/41/263134141.db2.gz FNFWWIMXBLSGLO-UHFFFAOYSA-N 1 0 250.386 2.265 20 10 CECDRO O[C@@H]1c2ccccc2OC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000288528422 264684465 /nfs/dbraw/zinc/68/44/65/264684465.db2.gz JYASRZLQXVCRQN-CRAIPNDOSA-N 1 0 297.354 2.206 20 10 CECDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccccc1O)C2 ZINC000360256061 266698959 /nfs/dbraw/zinc/69/89/59/266698959.db2.gz XQFCODLPKNOLLU-AWEZNQCLSA-N 1 0 269.348 2.138 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000368351864 267165025 /nfs/dbraw/zinc/16/50/25/267165025.db2.gz LSFDXTNWCWEPLX-TZMCWYRMSA-N 1 0 297.420 2.210 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000369683487 267260020 /nfs/dbraw/zinc/26/00/20/267260020.db2.gz LXRMJUXPSZPRKJ-MRXNPFEDSA-N 1 0 277.364 2.138 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@H]2CCCCC[NH2+]2)cc1F ZINC000369953377 267278597 /nfs/dbraw/zinc/27/85/97/267278597.db2.gz AEWWXMGRCAIXNA-CQSZACIVSA-N 1 0 293.386 2.040 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)cc1C ZINC000377113261 268048835 /nfs/dbraw/zinc/04/88/35/268048835.db2.gz NAKSGNJIXONTJX-PBHICJAKSA-N 1 0 288.391 2.156 20 10 CECDRO CC(=O)NC1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297772995 275478101 /nfs/dbraw/zinc/47/81/01/275478101.db2.gz PFJMENJBMIYOGI-NRXISQOPSA-N 1 0 288.391 2.416 20 10 CECDRO CCOc1cccc(C[N@H+](C)C[C@H](C)OC)c1O ZINC000289176917 276379495 /nfs/dbraw/zinc/37/94/95/276379495.db2.gz ABSYDTRJHNXRFQ-NSHDSACASA-N 1 0 253.342 2.258 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCSCCCO)c1 ZINC000185378746 327915301 /nfs/dbraw/zinc/91/53/01/327915301.db2.gz YAVLNVBOAWATMH-LLVKDONJSA-N 1 0 285.409 2.167 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCCO2)c1 ZINC000237048890 328004256 /nfs/dbraw/zinc/00/42/56/328004256.db2.gz LDWUZZJETLUGTC-CYBMUJFWSA-N 1 0 251.326 2.060 20 10 CECDRO C[N@H+](CCNC(=O)Cc1ccc(N)cc1)Cc1ccccc1 ZINC000263290354 327008239 /nfs/dbraw/zinc/00/82/39/327008239.db2.gz WGABPNKCEZYBBH-UHFFFAOYSA-N 1 0 297.402 2.060 20 10 CECDRO Cc1cn[nH]c1C[NH2+]Cc1ccc2c(c1)CCN2C ZINC000377758365 329028309 /nfs/dbraw/zinc/02/83/09/329028309.db2.gz HUQWNDBZBKFAOZ-UHFFFAOYSA-N 1 0 256.353 2.000 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000377887666 329033500 /nfs/dbraw/zinc/03/35/00/329033500.db2.gz GODMANCTRTYKAO-ZDUSSCGKSA-N 1 0 271.364 2.424 20 10 CECDRO COc1ccc(O)c(C[N@H+]2CCC[C@H](OC)CC2)c1 ZINC000378629536 329057090 /nfs/dbraw/zinc/05/70/90/329057090.db2.gz DTORVONDRJNJRP-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000180316430 329219720 /nfs/dbraw/zinc/21/97/20/329219720.db2.gz NDCJJSOAEMAPBU-WBMJQRKESA-N 1 0 277.364 2.402 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](C)N(C)C)c1O ZINC000228677451 329344278 /nfs/dbraw/zinc/34/42/78/329344278.db2.gz VVSBVQHVKYSOJY-SECBINFHSA-N 1 0 272.776 2.094 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527804825 330284396 /nfs/dbraw/zinc/28/43/96/330284396.db2.gz BTZOFNWYZWYTOH-HNNXBMFYSA-N 1 0 260.381 2.499 20 10 CECDRO CCC[C@@](C)(O)C[NH2+]Cc1cccc(OCC)c1O ZINC000226249763 333255041 /nfs/dbraw/zinc/25/50/41/333255041.db2.gz LZIWZSINSFGMOI-OAHLLOKOSA-N 1 0 267.369 2.432 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCSC1 ZINC000230704051 333321178 /nfs/dbraw/zinc/32/11/78/333321178.db2.gz DQSDAXRIMGOEPG-CQSZACIVSA-N 1 0 278.421 2.118 20 10 CECDRO COC[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000234830216 333362304 /nfs/dbraw/zinc/36/23/04/333362304.db2.gz YNFRMOLLRRAKPX-AAEUAGOBSA-N 1 0 275.348 2.203 20 10 CECDRO C[C@H](CO)[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000134913978 334108109 /nfs/dbraw/zinc/10/81/09/334108109.db2.gz RTNXFNJTAWYOGD-HTQZYQBOSA-N 1 0 274.158 2.186 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)CCCCO)c1O ZINC000295038218 334901839 /nfs/dbraw/zinc/90/18/39/334901839.db2.gz MKIBFHWQTHRSRI-GFCCVEGCSA-N 1 0 267.369 2.432 20 10 CECDRO CCCOc1ccc(C[N@H+](CC)[C@H](C)CO)c(O)c1 ZINC000292847084 520344332 /nfs/dbraw/zinc/34/43/32/520344332.db2.gz SUCWVVFRKDKOJU-GFCCVEGCSA-N 1 0 267.369 2.384 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1F ZINC000074370957 522211567 /nfs/dbraw/zinc/21/15/67/522211567.db2.gz YQHDQMFDIVAVBU-ZFWWWQNUSA-N 1 0 266.360 2.285 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCCOC(C)(C)C2)c1 ZINC000378440359 534199076 /nfs/dbraw/zinc/19/90/76/534199076.db2.gz AZMMPZYNJORBME-UHFFFAOYSA-N 1 0 265.353 2.402 20 10 CECDRO CC(=O)NC1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000237086481 519645455 /nfs/dbraw/zinc/64/54/55/519645455.db2.gz GWUGPWNABLQSBF-UHFFFAOYSA-N 1 0 289.423 2.290 20 10 CECDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000188484111 520202764 /nfs/dbraw/zinc/20/27/64/520202764.db2.gz GGOYIHRRKPOPEL-VXGBXAGGSA-N 1 0 264.369 2.218 20 10 CECDRO CCCOc1ccc(CN(C)CC[NH+](C)C)c(O)c1 ZINC000211397380 520345097 /nfs/dbraw/zinc/34/50/97/520345097.db2.gz XTPICKIAUOCMIJ-UHFFFAOYSA-N 1 0 266.385 2.174 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H](C)CN(C)C)c(O)c1 ZINC000290229010 520370357 /nfs/dbraw/zinc/37/03/57/520370357.db2.gz YELPWEJHMCCEMF-LBPRGKRZSA-N 1 0 266.385 2.221 20 10 CECDRO CC[NH+](CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000066861715 520568448 /nfs/dbraw/zinc/56/84/48/520568448.db2.gz QMJCJBCSIFILIG-UHFFFAOYSA-N 1 0 277.412 2.053 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000277911695 521154846 /nfs/dbraw/zinc/15/48/46/521154846.db2.gz PMJYBSHARPNMHC-BXUZGUMPSA-N 1 0 265.353 2.306 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](COC)[C@@H]2CCCO2)c1O ZINC000278604501 521375964 /nfs/dbraw/zinc/37/59/64/521375964.db2.gz ICLJSEJQRKOOQR-KGLIPLIRSA-N 1 0 295.379 2.075 20 10 CECDRO CCOC1CC([N@H+](C)Cc2cc(OC)ccc2O)C1 ZINC000290652381 521650698 /nfs/dbraw/zinc/65/06/98/521650698.db2.gz ZCVVHYXVVGZRGC-UHFFFAOYSA-N 1 0 265.353 2.400 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1O ZINC000292777559 522535907 /nfs/dbraw/zinc/53/59/07/522535907.db2.gz LBQGEGMSXITUHD-CABZTGNLSA-N 1 0 285.771 2.399 20 10 CECDRO COC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@H]1CCCO1 ZINC000278932148 522765093 /nfs/dbraw/zinc/76/50/93/522765093.db2.gz XNPDJNHJWLQORD-DIOULYMOSA-N 1 0 295.379 2.245 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCN(CCOC)C1)c1ccc(C)cc1O ZINC000279973789 522951136 /nfs/dbraw/zinc/95/11/36/522951136.db2.gz DDTHQZBRRHJPMY-GOEBONIOSA-N 1 0 292.423 2.462 20 10 CECDRO COCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000042459777 523619159 /nfs/dbraw/zinc/61/91/59/523619159.db2.gz BVHJUVYZWRKUPF-UHFFFAOYSA-N 1 0 271.744 2.326 20 10 CECDRO CN(c1ccc(CNC(=O)C[NH3+])cc1)C1CCCCC1 ZINC000237053933 523636242 /nfs/dbraw/zinc/63/62/42/523636242.db2.gz RCFNDIHTNAOEIE-UHFFFAOYSA-N 1 0 275.396 2.030 20 10 CECDRO COc1ccc(C[NH2+]CCC(=O)N2CCCCC2)cc1C ZINC000069715951 524069991 /nfs/dbraw/zinc/06/99/91/524069991.db2.gz YIOIPQBGJWLYGJ-UHFFFAOYSA-N 1 0 290.407 2.496 20 10 CECDRO COc1ccc(C[NH2+]CCCCCS(C)(=O)=O)cc1C ZINC000274761030 524070417 /nfs/dbraw/zinc/07/04/17/524070417.db2.gz OSONPCUIYIYCTL-UHFFFAOYSA-N 1 0 299.436 2.308 20 10 CECDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000290065261 524080120 /nfs/dbraw/zinc/08/01/20/524080120.db2.gz FNYQUFIJCPBRIG-CYBMUJFWSA-N 1 0 296.342 2.242 20 10 CECDRO Cc1cccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1O ZINC000289894635 524433399 /nfs/dbraw/zinc/43/33/99/524433399.db2.gz TWXCHVZZUIVEHA-INIZCTEOSA-N 1 0 271.360 2.394 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CC=CCC2)c1 ZINC000280972450 524763859 /nfs/dbraw/zinc/76/38/59/524763859.db2.gz LKUFESRJCBAWOD-CYBMUJFWSA-N 1 0 276.380 2.313 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)[C@H](C)OC)c1 ZINC000191655658 524766330 /nfs/dbraw/zinc/76/63/30/524766330.db2.gz DEIUVXCYWVSRCT-AXFHLTTASA-N 1 0 253.342 2.475 20 10 CECDRO C[C@@H](O)CCC[NH2+]Cc1cc(Br)ccc1O ZINC000227952891 525757424 /nfs/dbraw/zinc/75/74/24/525757424.db2.gz MPJHYXUIRNNSEK-SECBINFHSA-N 1 0 288.185 2.405 20 10 CECDRO C[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280069962 525782511 /nfs/dbraw/zinc/78/25/11/525782511.db2.gz XNUKIEZREFFCIE-VIFPVBQESA-N 1 0 276.302 2.242 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1O ZINC000280671160 525954699 /nfs/dbraw/zinc/95/46/99/525954699.db2.gz UFRRUVLAUYDFAW-ABAIWWIYSA-N 1 0 277.364 2.400 20 10 CECDRO Nc1ccc(CC(=O)N(CCC[NH3+])Cc2ccccc2)cc1 ZINC000262457802 527179446 /nfs/dbraw/zinc/17/94/46/527179446.db2.gz LQMLEOFBVGRUJB-UHFFFAOYSA-N 1 0 297.402 2.189 20 10 CECDRO Cc1nccn1CCC[NH2+]Cc1cc(C)ccc1O ZINC000264996393 527420412 /nfs/dbraw/zinc/42/04/12/527420412.db2.gz YLTPBJBQFSVVKY-UHFFFAOYSA-N 1 0 259.353 2.385 20 10 CECDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccc(OC)c1O ZINC000748241576 574437917 /nfs/dbraw/zinc/43/79/17/574437917.db2.gz AEZDPDAZQUNSOC-HNNXBMFYSA-N 1 0 281.352 2.222 20 10 CECDRO C[NH+](C)[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731863871 574604199 /nfs/dbraw/zinc/60/41/99/574604199.db2.gz IEFBCYXNVPCZKF-ZDUSSCGKSA-N 1 0 290.388 2.486 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC(=O)N2CCc3ccccc32)c1 ZINC000733328679 574664341 /nfs/dbraw/zinc/66/43/41/574664341.db2.gz ZVGXVUXNTHEZTR-UHFFFAOYSA-N 1 0 296.370 2.380 20 10 CECDRO CC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000738297801 574857151 /nfs/dbraw/zinc/85/71/51/574857151.db2.gz CXVHXUGEEIKLLL-HNNXBMFYSA-N 1 0 277.412 2.229 20 10 CECDRO C[C@H]1C[C@@H](N(C)C(=O)C2=CC(=O)CS2)CC[N@@H+]1C ZINC000743536493 575106110 /nfs/dbraw/zinc/10/61/10/575106110.db2.gz KYBVIOOJAJVIST-UWVGGRQHSA-N 1 0 268.382 2.008 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC1(CCO)CCCC1 ZINC000744448387 575121518 /nfs/dbraw/zinc/12/15/18/575121518.db2.gz IZIMUMDZAPVIJO-UHFFFAOYSA-N 1 0 279.380 2.433 20 10 CECDRO Cc1cc(CCNC(N)=[NH2+])c(C)n1-c1ccccc1 ZINC000750542484 575268862 /nfs/dbraw/zinc/26/88/62/575268862.db2.gz JCIHXQPJQJMYRK-UHFFFAOYSA-N 1 0 256.353 2.120 20 10 CECDRO C[C@@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1O ZINC000892430732 625381161 /nfs/dbraw/zinc/38/11/61/625381161.db2.gz NOVNLPIALTYNGR-JHJVBQTASA-N 1 0 291.395 2.270 20 10 CECDRO CC1CC[NH+](CC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890760713 622932603 /nfs/dbraw/zinc/93/26/03/622932603.db2.gz XGROUYAJNVVQPL-UHFFFAOYSA-N 1 0 296.798 2.394 20 10 CECDRO CCC(O)(CC)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000069160705 623108783 /nfs/dbraw/zinc/10/87/83/623108783.db2.gz KRMNYLGTVSGECU-UHFFFAOYSA-N 1 0 292.423 2.164 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC(=O)NCc2ccco2)cc1C ZINC000742366637 623400115 /nfs/dbraw/zinc/40/01/15/623400115.db2.gz NHMMIDGSZPFEDS-UHFFFAOYSA-N 1 0 288.347 2.008 20 10 CECDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000933287314 623592036 /nfs/dbraw/zinc/59/20/36/623592036.db2.gz XCEFUBPOPATHCD-OAHLLOKOSA-N 1 0 289.423 2.147 20 10 CECDRO CCC[N@H+](Cc1cc(C)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000161108384 624223438 /nfs/dbraw/zinc/22/34/38/624223438.db2.gz AGKYYIADHZOXHU-AWEZNQCLSA-N 1 0 297.420 2.100 20 10 CECDRO C[C@@H](NC(=O)NC[C@]1(C)CCC[NH2+]C1)c1ccccc1O ZINC000892057743 624284915 /nfs/dbraw/zinc/28/49/15/624284915.db2.gz QLIMMQYFKVQPMD-MLGOLLRUSA-N 1 0 291.395 2.142 20 10 CECDRO C[C@@H](NC(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccccc1O ZINC000892091712 624310222 /nfs/dbraw/zinc/31/02/22/624310222.db2.gz LTOSACNARJMZGM-RISCZKNCSA-N 1 0 291.395 2.270 20 10 CECDRO C[C@H](NC(=O)NCCC1=CC[NH2+]CC1)c1ccccc1O ZINC000892100772 624317182 /nfs/dbraw/zinc/31/71/82/624317182.db2.gz MABPYDCWLOHGOY-LBPRGKRZSA-N 1 0 289.379 2.062 20 10 CECDRO CO[C@@](C)(CO)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000848556491 624365062 /nfs/dbraw/zinc/36/50/62/624365062.db2.gz ZEVRCLXPTRHTNE-IUODEOHRSA-N 1 0 267.369 2.057 20 10 CECDRO COc1ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)c(O)c1OC ZINC000892178618 624382493 /nfs/dbraw/zinc/38/24/93/624382493.db2.gz GQEJBEKDYHCAGO-CYBMUJFWSA-N 1 0 297.395 2.248 20 10 CECDRO CC(=O)NCC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000219487708 625043022 /nfs/dbraw/zinc/04/30/22/625043022.db2.gz FEIWAGMXAJYNCQ-UHFFFAOYSA-N 1 0 296.798 2.394 20 10 CECDRO COc1cccc(O)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000725845540 625742016 /nfs/dbraw/zinc/74/20/16/625742016.db2.gz CRPLCPVOTZMWTN-QWHCGFSZSA-N 1 0 276.380 2.117 20 10 CECDRO Cc1occc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000725848787 625827522 /nfs/dbraw/zinc/82/75/22/625827522.db2.gz ILOREMZCSVWQCR-UHFFFAOYSA-N 1 0 261.277 2.312 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000313995004 627854415 /nfs/dbraw/zinc/85/44/15/627854415.db2.gz SBJZMQFDWKNBON-INIZCTEOSA-N 1 0 289.423 2.229 20 10 CECDRO COc1ccc(C[NH2+]CCC(F)(F)F)c(O)c1OC ZINC000893083869 627988234 /nfs/dbraw/zinc/98/82/34/627988234.db2.gz ONBAMULBUAPXFW-UHFFFAOYSA-N 1 0 279.258 2.451 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1C ZINC000312064492 628089802 /nfs/dbraw/zinc/08/98/02/628089802.db2.gz DXMDSHBESRGEOI-KWCYVHTRSA-N 1 0 260.381 2.452 20 10 CECDRO CCc1ncc(C[N@H+](C)Cc2ccccc2O)cn1 ZINC000840909849 628375148 /nfs/dbraw/zinc/37/51/48/628375148.db2.gz AAYGOUXHVXLMJP-UHFFFAOYSA-N 1 0 257.337 2.377 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COCC2(C)C)c1 ZINC000313060182 628577799 /nfs/dbraw/zinc/57/77/99/628577799.db2.gz MPTPGPNEHSVKHM-YGRLFVJLSA-N 1 0 265.353 2.476 20 10 CECDRO COc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C)c(O)c1OC ZINC000893521419 628673846 /nfs/dbraw/zinc/67/38/46/628673846.db2.gz NJTISQLLBCVIBI-ZUZCIYMTSA-N 1 0 281.352 2.067 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000840936230 628753588 /nfs/dbraw/zinc/75/35/88/628753588.db2.gz HCRUDQHSBVQPFW-CYBMUJFWSA-N 1 0 290.329 2.464 20 10 CECDRO COc1ccc(C[NH+]2CCC(C)(CO)CC2)c(O)c1OC ZINC000893606294 628785015 /nfs/dbraw/zinc/78/50/15/628785015.db2.gz VKKCLFQQCWMJOR-UHFFFAOYSA-N 1 0 295.379 2.004 20 10 CECDRO C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc(F)cc(F)c1[O-] ZINC000902470281 634686859 /nfs/dbraw/zinc/68/68/59/634686859.db2.gz VXKHHNLZLMIVKZ-LYDNSBFWSA-N 1 0 268.307 2.214 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)c(O)c1OC ZINC000893899729 629033758 /nfs/dbraw/zinc/03/37/58/629033758.db2.gz HLSBURFUYXMIOX-SMDDNHRTSA-N 1 0 295.379 2.266 20 10 CECDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894035050 629091931 /nfs/dbraw/zinc/09/19/31/629091931.db2.gz XEAGNJIJCUKALV-SKDRFNHKSA-N 1 0 271.307 2.406 20 10 CECDRO Cc1cccc(C[N@H+]2CCN(C)C[C@H]2C(C)C)c1O ZINC000248405919 629142460 /nfs/dbraw/zinc/14/24/60/629142460.db2.gz BKBGYILXHPGHNQ-HNNXBMFYSA-N 1 0 262.397 2.473 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCCc2c[nH]nc2C)c1O ZINC000894167114 629180208 /nfs/dbraw/zinc/18/02/08/629180208.db2.gz IWLWXOGYXKXFBQ-UHFFFAOYSA-N 1 0 289.379 2.463 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccnnc1 ZINC000924901258 629236188 /nfs/dbraw/zinc/23/61/88/629236188.db2.gz RGTSUFHWIOLLQQ-NSHDSACASA-N 1 0 255.321 2.262 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(C)=O)C2)cc1C ZINC000982952797 629256254 /nfs/dbraw/zinc/25/62/54/629256254.db2.gz FBGSELLDCQXWMI-SHTZXODSSA-N 1 0 276.380 2.008 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(C)cc1O ZINC000794810575 629325069 /nfs/dbraw/zinc/32/50/69/629325069.db2.gz LWONYQYUTMRRJN-JQWIXIFHSA-N 1 0 250.342 2.005 20 10 CECDRO CC[C@H]([NH2+]CCCn1ccnn1)c1ccc(C)cc1O ZINC000794813543 629327214 /nfs/dbraw/zinc/32/72/14/629327214.db2.gz APAZOCSWYUJQJT-AWEZNQCLSA-N 1 0 274.368 2.423 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@](C)(O)c2ccco2)c1O ZINC000894315081 629346391 /nfs/dbraw/zinc/34/63/91/629346391.db2.gz HJBNWFUYZFOAFA-MRXNPFEDSA-N 1 0 291.347 2.300 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c1O ZINC000894340512 629369992 /nfs/dbraw/zinc/36/99/92/629369992.db2.gz OZMVJLXNXNFGLH-OCCSQVGLSA-N 1 0 290.407 2.424 20 10 CECDRO CC1(C)C[N@H+](Cc2cc(F)cc(F)c2[O-])CC[C@H]1O ZINC000894533889 629517043 /nfs/dbraw/zinc/51/70/43/629517043.db2.gz KHMMHYJNIWAGKI-GFCCVEGCSA-N 1 0 271.307 2.263 20 10 CECDRO COc1ccc(C[NH2+]C[C@@](C)(OC)C2CC2)c(O)c1OC ZINC000894563094 629533888 /nfs/dbraw/zinc/53/38/88/629533888.db2.gz AWQIDYKHBAERRN-MRXNPFEDSA-N 1 0 295.379 2.314 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)c2cnccn2)c(O)c1 ZINC000894638735 629568758 /nfs/dbraw/zinc/56/87/58/629568758.db2.gz TXBNGGVNGISDKU-JTQLQIEISA-N 1 0 259.309 2.042 20 10 CECDRO COc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c(O)c1OC ZINC000894642038 629570293 /nfs/dbraw/zinc/57/02/93/629570293.db2.gz KJYALJKKHLIIHL-BZNIZROVSA-N 1 0 295.379 2.050 20 10 CECDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894673036 629582961 /nfs/dbraw/zinc/58/29/61/629582961.db2.gz XWBLXUOWBXRQIT-INIZCTEOSA-N 1 0 295.379 2.268 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)CC(C)(C)O)c(O)c1OC ZINC000894700557 629596242 /nfs/dbraw/zinc/59/62/42/629596242.db2.gz RUHOWLCAYIDZFI-JTQLQIEISA-N 1 0 283.368 2.049 20 10 CECDRO COc1ccncc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894852480 629687742 /nfs/dbraw/zinc/68/77/42/629687742.db2.gz SWLVXYBKTRMXTD-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO C[C@H]([NH2+]CCCSc1nccs1)c1cc(CO)on1 ZINC000925101408 629752138 /nfs/dbraw/zinc/75/21/38/629752138.db2.gz HDKIVTBIWYGHRJ-VIFPVBQESA-N 1 0 299.421 2.456 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(O)c1OC ZINC000895101789 629897584 /nfs/dbraw/zinc/89/75/84/629897584.db2.gz NDJIFTWSDCDZSB-YPMHNXCESA-N 1 0 293.363 2.020 20 10 CECDRO COc1cc(C[N@H+](C)C[C@H]2CCCO2)c(O)cc1C ZINC000160228488 629926488 /nfs/dbraw/zinc/92/64/88/629926488.db2.gz ALVUHSKPPPGBIC-CYBMUJFWSA-N 1 0 265.353 2.320 20 10 CECDRO CCc1cccc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c1O ZINC000895123757 629926883 /nfs/dbraw/zinc/92/68/83/629926883.db2.gz ZCHTXGGXVAKGFY-QJPTWQEYSA-N 1 0 276.380 2.052 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC)c(O)c1OC ZINC000895152705 629969330 /nfs/dbraw/zinc/96/93/30/629969330.db2.gz NJGYKVWIFNVIKC-CHWSQXEVSA-N 1 0 295.379 2.457 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000796771972 629997635 /nfs/dbraw/zinc/99/76/35/629997635.db2.gz NNYJHVSPMHEMDK-LBPRGKRZSA-N 1 0 286.379 2.407 20 10 CECDRO COC(=O)[C@H]1[C@@H](C[NH2+][C@@H](C)c2ccccc2O)C1(F)F ZINC000895460061 630201773 /nfs/dbraw/zinc/20/17/73/630201773.db2.gz ITSWAJXVJGFKED-MKPLZMMCSA-N 1 0 285.290 2.097 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccnn2C)c1O ZINC000895461816 630203194 /nfs/dbraw/zinc/20/31/94/630203194.db2.gz BLQROBLSMONBCY-NSHDSACASA-N 1 0 275.352 2.294 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c(O)c1OC ZINC000895745914 630322952 /nfs/dbraw/zinc/32/29/52/630322952.db2.gz UFCFVNRNMOXHAI-HOSYDEDBSA-N 1 0 281.352 2.065 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000895755724 630331768 /nfs/dbraw/zinc/33/17/68/630331768.db2.gz NMCOBJGIFTZBNC-ZDUSSCGKSA-N 1 0 276.380 2.223 20 10 CECDRO COc1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)c(O)c1OC ZINC000895869741 630384732 /nfs/dbraw/zinc/38/47/32/630384732.db2.gz RKINTYAYGAALTJ-CJNGLKHVSA-N 1 0 293.363 2.211 20 10 CECDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1c([O-])cccc1F ZINC000896637896 630621465 /nfs/dbraw/zinc/62/14/65/630621465.db2.gz QOLXOFWVFUNJHP-MNOVXSKESA-N 1 0 253.317 2.436 20 10 CECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000896954732 630841115 /nfs/dbraw/zinc/84/11/15/630841115.db2.gz AQAIIKMDLXPTON-LBPRGKRZSA-N 1 0 293.363 2.094 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)Cn2cncn2)cc1 ZINC000067504947 630999238 /nfs/dbraw/zinc/99/92/38/630999238.db2.gz INBFFIYSRIPGEE-AWEZNQCLSA-N 1 0 287.411 2.303 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)NCCF ZINC000800499018 631130979 /nfs/dbraw/zinc/13/09/79/631130979.db2.gz SYOJUEUBLHDRAK-WCABBAIRSA-N 1 0 298.333 2.143 20 10 CECDRO C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(Cl)cc1O ZINC000841747539 631573922 /nfs/dbraw/zinc/57/39/22/631573922.db2.gz CFYDCDGUSUQFSM-ONGXEEELSA-N 1 0 294.782 2.460 20 10 CECDRO c1coc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000035121442 631740173 /nfs/dbraw/zinc/74/01/73/631740173.db2.gz DNBMHSNGLXMPQQ-UHFFFAOYSA-N 1 0 286.375 2.449 20 10 CECDRO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(Cl)cc1O ZINC000841755104 631775722 /nfs/dbraw/zinc/77/57/22/631775722.db2.gz NLZMGRSKSJWNDZ-CABZTGNLSA-N 1 0 282.771 2.317 20 10 CECDRO CN(C)c1ccc(/C=C/CNC[C@@H]2CCCC[NH2+]2)cc1 ZINC000841033264 631821788 /nfs/dbraw/zinc/82/17/88/631821788.db2.gz MGTODXOFZSMLME-JFDDCEBESA-N 1 0 273.424 2.498 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1O ZINC000897681188 631865428 /nfs/dbraw/zinc/86/54/28/631865428.db2.gz YRUSVPLOFDNCNC-XHDPSFHLSA-N 1 0 257.333 2.358 20 10 CECDRO Cc1ccc(C[NH2+]Cc2cnn(CCF)c2)c(O)c1 ZINC000897731957 631906434 /nfs/dbraw/zinc/90/64/34/631906434.db2.gz LMEVYRGBLPZNOF-UHFFFAOYSA-N 1 0 263.316 2.156 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000897885895 631960755 /nfs/dbraw/zinc/96/07/55/631960755.db2.gz RWWXZZLKIXHUPL-AWEZNQCLSA-N 1 0 279.380 2.432 20 10 CECDRO Cc1cc(O)c(C[NH2+]Cc2cn(C)cn2)cc1Cl ZINC000898042387 632033592 /nfs/dbraw/zinc/03/35/92/632033592.db2.gz OSXGKVBFXJLHSU-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO Nc1ccc(CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000841037913 632036621 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C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000903400233 635109539 /nfs/dbraw/zinc/10/95/39/635109539.db2.gz NJSRZTPBDVTWIP-ZQIUZPCESA-N 1 0 290.407 2.209 20 10 CECDRO COc1ccc2c(c1)CCCN2C[C@H]([NH3+])CC(F)F ZINC000903901965 635338293 /nfs/dbraw/zinc/33/82/93/635338293.db2.gz BZENDGXPHPWSHI-LLVKDONJSA-N 1 0 270.323 2.430 20 10 CECDRO O[C@@H]1Cc2ccccc2N(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903909225 635343324 /nfs/dbraw/zinc/34/33/24/635343324.db2.gz RYINATKHOSZMDD-QGZVFWFLSA-N 1 0 294.398 2.256 20 10 CECDRO COc1nccc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000824195525 635374895 /nfs/dbraw/zinc/37/48/95/635374895.db2.gz HOBDRZJLTSRNLI-LBPRGKRZSA-N 1 0 286.379 2.402 20 10 CECDRO O=C(NCc1cc(Cl)ccc1O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000824214467 635376856 /nfs/dbraw/zinc/37/68/56/635376856.db2.gz YOHUNTXPRBAXMY-GHMZBOCLSA-N 1 0 291.738 2.189 20 10 CECDRO C[N@H+](Cc1cc(Cl)ccc1O)CC(C)(C)CO ZINC000824629949 635465795 /nfs/dbraw/zinc/46/57/95/635465795.db2.gz GTUACEKOFHLHCN-UHFFFAOYSA-N 1 0 257.761 2.496 20 10 CECDRO Cc1ccc(O)c(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000824904624 635521605 /nfs/dbraw/zinc/52/16/05/635521605.db2.gz UBRJLDVDTNLGHY-OAHLLOKOSA-N 1 0 288.391 2.334 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000825036034 635544609 /nfs/dbraw/zinc/54/46/09/635544609.db2.gz YTPVLARYHWMHGZ-YPMHNXCESA-N 1 0 265.353 2.042 20 10 CECDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000825040824 635545763 /nfs/dbraw/zinc/54/57/63/635545763.db2.gz UKYHRSWMUWMLSJ-CABCVRRESA-N 1 0 289.375 2.443 20 10 CECDRO CC(C)C[C@@H](C[NH3+])NCc1ccc2c(c1)CCCO2 ZINC000904354375 635587009 /nfs/dbraw/zinc/58/70/09/635587009.db2.gz WSAQFOWDHHGATQ-HNNXBMFYSA-N 1 0 262.397 2.475 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2ncccc2OC)c1 ZINC000825249479 635599484 /nfs/dbraw/zinc/59/94/84/635599484.db2.gz IUXORNPQXBKLNR-UHFFFAOYSA-N 1 0 288.347 2.484 20 10 CECDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000825310779 635611586 /nfs/dbraw/zinc/61/15/86/635611586.db2.gz CRWQMERPDPHLTC-SKDRFNHKSA-N 1 0 255.745 2.248 20 10 CECDRO COc1cccc(C[NH2+]CCN2CCCC2(C)C)c1O ZINC000825325541 635617540 /nfs/dbraw/zinc/61/75/40/635617540.db2.gz DTWQNQZWPLTJEA-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CCCO)C2)c1 ZINC000825339081 635619890 /nfs/dbraw/zinc/61/98/90/635619890.db2.gz ZXPRJESDIMRWEI-ZDUSSCGKSA-N 1 0 279.380 2.385 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](CCCO)C2)cc1OC ZINC000825337683 635620613 /nfs/dbraw/zinc/62/06/13/635620613.db2.gz HZZZXDZUAWFGRV-GFCCVEGCSA-N 1 0 295.379 2.004 20 10 CECDRO Cc1cc(O)c(C[NH2+]C2(CO)CCC2)cc1Cl ZINC000825413023 635633845 /nfs/dbraw/zinc/63/38/45/635633845.db2.gz QYBDUILWHPWPGN-UHFFFAOYSA-N 1 0 255.745 2.359 20 10 CECDRO COC[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)OC ZINC000825479752 635644640 /nfs/dbraw/zinc/64/46/40/635644640.db2.gz RNARHZDLIILBRY-LLVKDONJSA-N 1 0 273.760 2.105 20 10 CECDRO CC[N@H+](CC(N)=O)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000825671746 635691767 /nfs/dbraw/zinc/69/17/67/635691767.db2.gz OARDRSFTJRSBRQ-UHFFFAOYSA-N 1 0 294.395 2.006 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000825874232 635725568 /nfs/dbraw/zinc/72/55/68/635725568.db2.gz WJCMFHZENGVGHK-CZUORRHYSA-N 1 0 289.423 2.017 20 10 CECDRO CCC[N@H+](CC(N)=O)Cc1cc(Cl)c(C)cc1O ZINC000825992206 635742108 /nfs/dbraw/zinc/74/21/08/635742108.db2.gz UCMHKVOJQGURNV-UHFFFAOYSA-N 1 0 270.760 2.051 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)CCF)cc1Cl ZINC000826142536 635765754 /nfs/dbraw/zinc/76/57/54/635765754.db2.gz DUMFLMNRTGNOHB-SNVBAGLBSA-N 1 0 261.724 2.164 20 10 CECDRO O=C1CCC2=C(CC[N@@H+](Cc3cc(Cl)ccc3O)C2)N1 ZINC000826779803 635844732 /nfs/dbraw/zinc/84/47/32/635844732.db2.gz DJKLLJLDSFXSHV-UHFFFAOYSA-N 1 0 292.766 2.415 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1 ZINC000826910383 635880024 /nfs/dbraw/zinc/88/00/24/635880024.db2.gz GHQAQUJAOXQXJC-VQZRKKFQSA-N 1 0 297.420 2.180 20 10 CECDRO CCc1cccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1O ZINC000827147213 636236416 /nfs/dbraw/zinc/23/64/16/636236416.db2.gz NXOGNNZGBBOLSF-VXGBXAGGSA-N 1 0 263.381 2.403 20 10 CECDRO Cc1ccc(O)c(CNC(=O)CC[NH2+]C(C)(C)C)c1 ZINC000827165872 636243265 /nfs/dbraw/zinc/24/32/65/636243265.db2.gz CGXUPECTWGLLTJ-UHFFFAOYSA-N 1 0 264.369 2.095 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC(=O)N(C)CC2)c(Cl)c1 ZINC000827359506 636303614 /nfs/dbraw/zinc/30/36/14/636303614.db2.gz OTGAIKNQULWLKD-UHFFFAOYSA-N 1 0 282.771 2.018 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](CO)CC2CC2)c1O ZINC000827359609 636304585 /nfs/dbraw/zinc/30/45/85/636304585.db2.gz QFJJLROEFJAMLF-ZDUSSCGKSA-N 1 0 263.381 2.453 20 10 CECDRO C[C@@H](O)C1([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000827580486 636358040 /nfs/dbraw/zinc/35/80/40/636358040.db2.gz TVSOZJMSEUOXRW-MRVPVSSYSA-N 1 0 286.169 2.158 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C2([C@@H](C)O)CC2)c1O ZINC000827586022 636358999 /nfs/dbraw/zinc/35/89/99/636358999.db2.gz STNSURIEXVWJQU-MRVPVSSYSA-N 1 0 271.744 2.057 20 10 CECDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827930891 636462784 /nfs/dbraw/zinc/46/27/84/636462784.db2.gz TUHZYIGPAYGJJU-TZMCWYRMSA-N 1 0 276.380 2.444 20 10 CECDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827978440 636477777 /nfs/dbraw/zinc/47/77/77/636477777.db2.gz TUHZYIGPAYGJJU-JSGCOSHPSA-N 1 0 276.380 2.444 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)CCCC[NH3+] ZINC000828148047 636522594 /nfs/dbraw/zinc/52/25/94/636522594.db2.gz QFMXVBVITQNUSI-UHFFFAOYSA-N 1 0 264.369 2.260 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[C@H]([NH3+])C1CC1 ZINC000828147852 636522760 /nfs/dbraw/zinc/52/27/60/636522760.db2.gz MBTZNFUWTFIUAE-AWEZNQCLSA-N 1 0 276.380 2.258 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)CCCCC[NH3+])c1 ZINC000828668102 636650451 /nfs/dbraw/zinc/65/04/51/636650451.db2.gz YTXSJWRMVANMNB-NSHDSACASA-N 1 0 280.368 2.097 20 10 CECDRO CC/C=C(/F)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506844 650294676 /nfs/dbraw/zinc/29/46/76/650294676.db2.gz PFMYAQPOWASOEV-GUVYXZIWSA-N 1 0 279.359 2.132 20 10 CECDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000830576307 637104379 /nfs/dbraw/zinc/10/43/79/637104379.db2.gz FNFRTROAAUSVRR-PWSUYJOCSA-N 1 0 280.393 2.010 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876556408 650325015 /nfs/dbraw/zinc/32/50/15/650325015.db2.gz QLUPRNLYWAQEQI-ZDUSSCGKSA-N 1 0 263.337 2.086 20 10 CECDRO CC(C)[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272294 637530079 /nfs/dbraw/zinc/53/00/79/637530079.db2.gz DUZCMNIMNRMUPT-DOMZBBRYSA-N 1 0 277.412 2.161 20 10 CECDRO CC(C)[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272295 637530294 /nfs/dbraw/zinc/53/02/94/637530294.db2.gz DUZCMNIMNRMUPT-IUODEOHRSA-N 1 0 277.412 2.161 20 10 CECDRO C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876636938 650369825 /nfs/dbraw/zinc/36/98/25/650369825.db2.gz NQXNHBGWVVZJRG-AWEZNQCLSA-N 1 0 274.408 2.490 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCc3n[nH]cc3C1)CC2 ZINC000834680701 637917028 /nfs/dbraw/zinc/91/70/28/637917028.db2.gz GFKZBGWIPRITTR-JSGCOSHPSA-N 1 0 269.348 2.250 20 10 CECDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876657518 650381171 /nfs/dbraw/zinc/38/11/71/650381171.db2.gz GRYYQLQRYCCDMC-AWEZNQCLSA-N 1 0 290.407 2.439 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cc(F)ccc1O ZINC000834850762 637970994 /nfs/dbraw/zinc/97/09/94/637970994.db2.gz OYOJBXJYAGGTKU-OCCSQVGLSA-N 1 0 296.386 2.029 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000834881025 637977155 /nfs/dbraw/zinc/97/71/55/637977155.db2.gz YFPNTPITQMQABI-UEKVPHQBSA-N 1 0 283.343 2.233 20 10 CECDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000834898634 637981156 /nfs/dbraw/zinc/98/11/56/637981156.db2.gz AJZLRXRKYLBSGW-CMPLNLGQSA-N 1 0 264.369 2.184 20 10 CECDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000834900096 637981308 /nfs/dbraw/zinc/98/13/08/637981308.db2.gz MDYKYEVSJSDNQG-BDAKNGLRSA-N 1 0 270.760 2.221 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000834904741 637982623 /nfs/dbraw/zinc/98/26/23/637982623.db2.gz PRQQOTINSFLUJA-NJZAAPMLSA-N 1 0 265.353 2.155 20 10 CECDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000834901991 637982630 /nfs/dbraw/zinc/98/26/30/637982630.db2.gz YQWXJJDNTQSMNE-VXGBXAGGSA-N 1 0 264.369 2.184 20 10 CECDRO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)c2c1c(F)ccc2O ZINC000834905881 637984063 /nfs/dbraw/zinc/98/40/63/637984063.db2.gz AFRZADDUQWHXMS-GUDRVLHUSA-N 1 0 292.354 2.323 20 10 CECDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(=O)NC ZINC000834912411 637986297 /nfs/dbraw/zinc/98/62/97/637986297.db2.gz LXKUVTIJLJMFHF-INTQDDNPSA-N 1 0 280.343 2.194 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@](C)(O)C2)cc1 ZINC000835027845 638030304 /nfs/dbraw/zinc/03/03/04/638030304.db2.gz GVCWHBHFRXMXPA-YIEVGGLXSA-N 1 0 260.381 2.223 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCC[NH+](C)C)cc1 ZINC000835033319 638032455 /nfs/dbraw/zinc/03/24/55/638032455.db2.gz FHKXJQAJRBWSOK-ALCCZGGFSA-N 1 0 261.413 2.307 20 10 CECDRO CSC[C@](C)(O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835040599 638034941 /nfs/dbraw/zinc/03/49/41/638034941.db2.gz QJJBGIGYEFAXSW-SQRWCISFSA-N 1 0 294.464 2.469 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000835054205 638040390 /nfs/dbraw/zinc/04/03/90/638040390.db2.gz SLPCABPRSIOFDE-CWDCEQMOSA-N 1 0 260.381 2.126 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000835052637 638040961 /nfs/dbraw/zinc/04/09/61/638040961.db2.gz IDBSNVDHTBXPSN-MYIWKSEUSA-N 1 0 258.365 2.239 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000835088531 638058259 /nfs/dbraw/zinc/05/82/59/638058259.db2.gz SLMILJBYLGOENU-GHMZBOCLSA-N 1 0 251.326 2.058 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000876765651 650425323 /nfs/dbraw/zinc/42/53/23/650425323.db2.gz WFYKYSFIECKQLT-KGLIPLIRSA-N 1 0 260.381 2.369 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000876805656 650440703 /nfs/dbraw/zinc/44/07/03/650440703.db2.gz DSHRYPBTZZAKPL-CVEARBPZSA-N 1 0 277.364 2.080 20 10 CECDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c(C)cccc3O)[C@@H]2C1 ZINC000876814043 650443678 /nfs/dbraw/zinc/44/36/78/650443678.db2.gz JIWYQVDJZZIFGH-FRFSOERESA-N 1 0 291.391 2.469 20 10 CECDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2c(C)cccc2O)C1 ZINC000876816169 650444898 /nfs/dbraw/zinc/44/48/98/650444898.db2.gz WDWRGMBCOFQJIS-CQSZACIVSA-N 1 0 276.380 2.001 20 10 CECDRO Cc1cccc2c1N(C(=O)/C=C/[C@H]1CCC[NH2+]C1)CC2 ZINC000876885258 650472961 /nfs/dbraw/zinc/47/29/61/650472961.db2.gz KNLBVLRXMXAABC-HSBSLETESA-N 1 0 270.376 2.440 20 10 CECDRO COC[C@@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163635879 639234864 /nfs/dbraw/zinc/23/48/64/639234864.db2.gz CAGKHEMISRCSKT-CYBMUJFWSA-N 1 0 280.437 2.364 20 10 CECDRO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000045072721 639386823 /nfs/dbraw/zinc/38/68/23/639386823.db2.gz ULPIFFYKYSIRMG-ZDUSSCGKSA-N 1 0 277.412 2.320 20 10 CECDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000840826220 639553453 /nfs/dbraw/zinc/55/34/53/639553453.db2.gz IFDXOJKMGPXKFG-FPMFFAJLSA-N 1 0 265.353 2.073 20 10 CECDRO Cc1nn(C)c(C)c1C[NH2+]Cc1cc(F)ccc1O ZINC000226590527 639554930 /nfs/dbraw/zinc/55/49/30/639554930.db2.gz LTUWFFPHYRXCLF-UHFFFAOYSA-N 1 0 263.316 2.171 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840907796 639581098 /nfs/dbraw/zinc/58/10/98/639581098.db2.gz QYGDQBJREQWZST-ZWNOBZJWSA-N 1 0 296.798 2.358 20 10 CECDRO COCC[NH+]1CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840910941 639583163 /nfs/dbraw/zinc/58/31/63/639583163.db2.gz XWUZIRKNQBLQDF-UHFFFAOYSA-N 1 0 298.814 2.118 20 10 CECDRO Cc1cc(O)c(CN2CC[NH2+][C@H](C)C2)c(Cl)c1 ZINC000840908971 639583458 /nfs/dbraw/zinc/58/34/58/639583458.db2.gz ZRGVKZNETNYLCC-SNVBAGLBSA-N 1 0 254.761 2.148 20 10 CECDRO COCCOCCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840928390 639589434 /nfs/dbraw/zinc/58/94/34/639589434.db2.gz ROESHHQQRXOOGI-UHFFFAOYSA-N 1 0 280.412 2.204 20 10 CECDRO Cc1noc(CCC[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC000840933441 639590345 /nfs/dbraw/zinc/59/03/45/639590345.db2.gz FQPWNHQDXQPBPM-UHFFFAOYSA-N 1 0 288.395 2.475 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]1CCO ZINC000840938107 639592441 /nfs/dbraw/zinc/59/24/41/639592441.db2.gz CQGNWHWLBZSHBN-HNNXBMFYSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000840938998 639592753 /nfs/dbraw/zinc/59/27/53/639592753.db2.gz SNQSQUZCMDWRKP-QGZVFWFLSA-N 1 0 290.407 2.052 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000840951771 639598803 /nfs/dbraw/zinc/59/88/03/639598803.db2.gz JVPAQHFYLXWPEO-GOEBONIOSA-N 1 0 262.397 2.312 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@H]1F)OCO2 ZINC000840961558 639602902 /nfs/dbraw/zinc/60/29/02/639602902.db2.gz BIACYDQGLWDXFF-GHMZBOCLSA-N 1 0 267.300 2.491 20 10 CECDRO CC(C)NC(=O)[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000840974262 639606322 /nfs/dbraw/zinc/60/63/22/639606322.db2.gz DAMJFILECDFOGU-AFNCTOJWSA-N 1 0 289.423 2.269 20 10 CECDRO CCOCc1cc(CNC[C@@H]([NH3+])C(C)C)ccc1OC ZINC000841028822 639621538 /nfs/dbraw/zinc/62/15/38/639621538.db2.gz ICYBSSVMDQSNFP-OAHLLOKOSA-N 1 0 280.412 2.305 20 10 CECDRO CC(C)n1cc(C[NH2+]CCc2ccc(N)cc2)cn1 ZINC000841037076 639628829 /nfs/dbraw/zinc/62/88/29/639628829.db2.gz YETKEOHDGUVLSY-UHFFFAOYSA-N 1 0 258.369 2.379 20 10 CECDRO COc1ccc(CN[C@H](CC[NH3+])C(F)F)cc1C ZINC000841071674 639642618 /nfs/dbraw/zinc/64/26/18/639642618.db2.gz IGCVGCQWSUIKQK-LLVKDONJSA-N 1 0 258.312 2.076 20 10 CECDRO CCN(CC)c1ccc(CN[C@@H](C)[C@H](C)[NH3+])cc1F ZINC000841077039 639646862 /nfs/dbraw/zinc/64/68/62/639646862.db2.gz XBRVJCXYOSSZTQ-RYUDHWBXSA-N 1 0 267.392 2.497 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1O ZINC000228676176 639652519 /nfs/dbraw/zinc/65/25/19/639652519.db2.gz LTUYNFKOOSKLOU-UTUOFQBUSA-N 1 0 283.755 2.464 20 10 CECDRO COc1cccc(C[NH2+]Cc2ccc(C)nc2)c1O ZINC000060942075 639663610 /nfs/dbraw/zinc/66/36/10/639663610.db2.gz WOUUYLXNZACMOM-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CC1 ZINC000228949567 639667178 /nfs/dbraw/zinc/66/71/78/639667178.db2.gz ODLDMVFUABIEDL-VXGBXAGGSA-N 1 0 275.396 2.070 20 10 CECDRO COc1ccc(O)c(CN2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC000841106314 639683657 /nfs/dbraw/zinc/68/36/57/639683657.db2.gz JQIZLWZFHOBYPK-CQSZACIVSA-N 1 0 284.359 2.291 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000876991110 650522783 /nfs/dbraw/zinc/52/27/83/650522783.db2.gz HJTNPPLRZKIRGE-NSHDSACASA-N 1 0 288.313 2.427 20 10 CECDRO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000230679913 639778220 /nfs/dbraw/zinc/77/82/20/639778220.db2.gz KLLZHXXNHODBJO-CABZTGNLSA-N 1 0 255.745 2.296 20 10 CECDRO COC[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)OC ZINC000230672255 639778617 /nfs/dbraw/zinc/77/86/17/639778617.db2.gz WHVWBJBMGHMEKN-NEPJUHHUSA-N 1 0 253.342 2.013 20 10 CECDRO CCC([NH3+])(CC)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000841654586 639823865 /nfs/dbraw/zinc/82/38/65/639823865.db2.gz NLBRIABDKLJWIP-UHFFFAOYSA-N 1 0 292.427 2.069 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)N(C)CCC[NH3+])cc1 ZINC000841716634 639848035 /nfs/dbraw/zinc/84/80/35/639848035.db2.gz CEGIUUQQAQARQM-UHFFFAOYSA-N 1 0 292.427 2.023 20 10 CECDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841743462 639854883 /nfs/dbraw/zinc/85/48/83/639854883.db2.gz HEQBUSHTWVDINW-JTQLQIEISA-N 1 0 284.787 2.468 20 10 CECDRO C[C@H]([NH2+]CCN1CCC1)c1ccc(Cl)cc1O ZINC000841752438 639859073 /nfs/dbraw/zinc/85/90/73/639859073.db2.gz SNKZDJHEPRXHSQ-JTQLQIEISA-N 1 0 254.761 2.402 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000841965788 639912432 /nfs/dbraw/zinc/91/24/32/639912432.db2.gz KGHYOMMSTYNWSZ-AWEZNQCLSA-N 1 0 291.395 2.051 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000842721653 640158885 /nfs/dbraw/zinc/15/88/85/640158885.db2.gz VGPUWLJEGRIIJL-CYBMUJFWSA-N 1 0 276.380 2.190 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@](C)(O)c1ccco1 ZINC000877071628 650558820 /nfs/dbraw/zinc/55/88/20/650558820.db2.gz AXHJYDFWUINTSM-HNNXBMFYSA-N 1 0 261.321 2.291 20 10 CECDRO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1cc(Cl)ccc1O ZINC000842899429 640216031 /nfs/dbraw/zinc/21/60/31/640216031.db2.gz AHUCHTICDDUSLN-SNVBAGLBSA-N 1 0 294.786 2.458 20 10 CECDRO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1ccc(N(C)C)cc1 ZINC000842898660 640216102 /nfs/dbraw/zinc/21/61/02/640216102.db2.gz GFGCDWGLPHOCEX-CYBMUJFWSA-N 1 0 287.411 2.165 20 10 CECDRO C[NH2+][C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843044453 640250089 /nfs/dbraw/zinc/25/00/89/640250089.db2.gz CGKHSAWSZSTPTL-FOSCPCJNSA-N 1 0 259.397 2.060 20 10 CECDRO [NH3+]CC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000843047053 640251572 /nfs/dbraw/zinc/25/15/72/640251572.db2.gz FDEVLWUKNPIDNC-UHFFFAOYSA-N 1 0 254.761 2.216 20 10 CECDRO C[C@H]1C[NH2+]CCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000843047792 640251988 /nfs/dbraw/zinc/25/19/88/640251988.db2.gz VIHHOHRNXOTLHE-WSNITJDQSA-N 1 0 259.397 2.060 20 10 CECDRO CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cccc(F)c1[O-] ZINC000843056451 640258243 /nfs/dbraw/zinc/25/82/43/640258243.db2.gz KKLIBZJTQUHSKD-CYBMUJFWSA-N 1 0 254.349 2.337 20 10 CECDRO C[N@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)C[NH3+] ZINC000843056686 640259052 /nfs/dbraw/zinc/25/90/52/640259052.db2.gz WKQIBGGERCRPMA-UHFFFAOYSA-N 1 0 256.777 2.462 20 10 CECDRO CCOc1cccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1O ZINC000843105758 640282625 /nfs/dbraw/zinc/28/26/25/640282625.db2.gz WYPSKLJKZMIDEI-OKILXGFUSA-N 1 0 276.380 2.117 20 10 CECDRO [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000843123227 640291243 /nfs/dbraw/zinc/29/12/43/640291243.db2.gz JBPHLBBTWHZGNV-LBPRGKRZSA-N 1 0 252.333 2.235 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125436 640292436 /nfs/dbraw/zinc/29/24/36/640292436.db2.gz WNVLESYWUYWOOI-CHWSQXEVSA-N 1 0 278.371 2.353 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000877094151 650570094 /nfs/dbraw/zinc/57/00/94/650570094.db2.gz NRNNIQPPLJLADC-CHWSQXEVSA-N 1 0 260.381 2.415 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c(O)c1 ZINC000914432985 640403662 /nfs/dbraw/zinc/40/36/62/640403662.db2.gz IQGDKLYPLQRFKE-HUUCEWRRSA-N 1 0 277.364 2.306 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c(O)c1 ZINC000914432983 640404091 /nfs/dbraw/zinc/40/40/91/640404091.db2.gz IQGDKLYPLQRFKE-CABCVRRESA-N 1 0 277.364 2.306 20 10 CECDRO c1cc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc2c1OCC2 ZINC000914433878 640405063 /nfs/dbraw/zinc/40/50/63/640405063.db2.gz XRZKOEBHNWSAJE-LSDHHAIUSA-N 1 0 259.349 2.136 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1O ZINC000843418678 640421443 /nfs/dbraw/zinc/42/14/43/640421443.db2.gz WLQDBLVYZOJBCN-OAHLLOKOSA-N 1 0 279.405 2.409 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCOc1ncccc1F ZINC000877117427 650579901 /nfs/dbraw/zinc/57/99/01/650579901.db2.gz ZGFFRLRYZQKPSU-UHFFFAOYSA-N 1 0 276.311 2.403 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CC(=O)N2CCC2)cc1 ZINC000915361522 640549970 /nfs/dbraw/zinc/54/99/70/640549970.db2.gz ZLXMZJSMYPUUMM-UHFFFAOYSA-N 1 0 289.423 2.197 20 10 CECDRO COC(=O)CC1([NH2+]Cc2ccc(C)cc2O)CCC1 ZINC000877139861 650591765 /nfs/dbraw/zinc/59/17/65/650591765.db2.gz DBIOWFIXEGHBGQ-UHFFFAOYSA-N 1 0 263.337 2.276 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000877169737 650607198 /nfs/dbraw/zinc/60/71/98/650607198.db2.gz UIPQYCBJCSPYKQ-UHFFFAOYSA-N 1 0 297.402 2.413 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2COC)cc1 ZINC000846053803 641165459 /nfs/dbraw/zinc/16/54/59/641165459.db2.gz XPCJTLRHDMBOAL-IAGOWNOFSA-N 1 0 292.423 2.114 20 10 CECDRO COc1cccc(O)c1C[NH+]1CCC([C@H](C)CO)CC1 ZINC000846058104 641165919 /nfs/dbraw/zinc/16/59/19/641165919.db2.gz LGSAITWFLMJQSM-GFCCVEGCSA-N 1 0 279.380 2.241 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)N(C)C)c1O ZINC000846136119 641197401 /nfs/dbraw/zinc/19/74/01/641197401.db2.gz GYIQZNUZEHFGPM-LLVKDONJSA-N 1 0 266.385 2.392 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCOC[C@H]2CCCO2)c1O ZINC000846142579 641198897 /nfs/dbraw/zinc/19/88/97/641198897.db2.gz ATWPFCQRXLMCDI-QWHCGFSZSA-N 1 0 295.379 2.247 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)CC(C)C)c1O ZINC000846142315 641198987 /nfs/dbraw/zinc/19/89/87/641198987.db2.gz RIJVZYVHZXWDKX-NWDGAFQWSA-N 1 0 267.369 2.458 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846142688 641199557 /nfs/dbraw/zinc/19/95/57/641199557.db2.gz GKWNAMWIRJJTKL-RYUDHWBXSA-N 1 0 294.395 2.356 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)c1O ZINC000846149452 641202783 /nfs/dbraw/zinc/20/27/83/641202783.db2.gz ZNKHVWLRJSUZQI-SRVKXCTJSA-N 1 0 265.353 2.476 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](CCO)C(C)C)c1O ZINC000846149427 641203364 /nfs/dbraw/zinc/20/33/64/641203364.db2.gz ZJDSCKZRVMVWIQ-AAEUAGOBSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCC[C@@H](C)CO)c1O ZINC000846158347 641207013 /nfs/dbraw/zinc/20/70/13/641207013.db2.gz WUZCLKQHHBOMIC-NEPJUHHUSA-N 1 0 267.369 2.460 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCn3ccnc32)c1O ZINC000846168494 641210184 /nfs/dbraw/zinc/21/01/84/641210184.db2.gz AEWDQBWZPYVFHV-CMPLNLGQSA-N 1 0 273.336 2.393 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1O ZINC000846168040 641210204 /nfs/dbraw/zinc/21/02/04/641210204.db2.gz QIMDJTRKGRWBMJ-GIPWTMENSA-N 1 0 297.420 2.353 20 10 CECDRO C[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1cc(Cl)ccc1O ZINC000846192183 641217410 /nfs/dbraw/zinc/21/74/10/641217410.db2.gz FWZLZQPPULXMAJ-IINYFYTJSA-N 1 0 285.771 2.238 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1O ZINC000877255447 650643526 /nfs/dbraw/zinc/64/35/26/650643526.db2.gz DGIBUIMAFKGQTE-DHMWGJHJSA-N 1 0 288.391 2.490 20 10 CECDRO C[C@@H](NC(=O)CCC(C)(C)[NH3+])c1ccccc1O ZINC000877255478 650644168 /nfs/dbraw/zinc/64/41/68/650644168.db2.gz DVEKSVSQHCLIMB-SNVBAGLBSA-N 1 0 250.342 2.087 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CN(CC)C(=O)O1 ZINC000846809998 641433455 /nfs/dbraw/zinc/43/34/55/641433455.db2.gz TXAWWJPVSCDQTF-CQSZACIVSA-N 1 0 292.379 2.445 20 10 CECDRO Cc1cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)ccc1N(C)C ZINC000846920102 641483189 /nfs/dbraw/zinc/48/31/89/641483189.db2.gz FPOPTQYJVNNULJ-HNNXBMFYSA-N 1 0 289.423 2.114 20 10 CECDRO CCOc1cccc(C[NH2+]CC2(OC)CCC2)c1O ZINC000181089263 641507283 /nfs/dbraw/zinc/50/72/83/641507283.db2.gz YPTMYXJPDKCNDS-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877322715 650675594 /nfs/dbraw/zinc/67/55/94/650675594.db2.gz CCHBKYJHWDKALZ-RYUDHWBXSA-N 1 0 265.353 2.378 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCN(c2ccnc(C)n2)CC1 ZINC000877347364 650681823 /nfs/dbraw/zinc/68/18/23/650681823.db2.gz VGCIEVCDBNVELD-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO COCC1=CC[N@H+](Cc2cc(OC)c(C)cc2O)CC1 ZINC000185028622 641928446 /nfs/dbraw/zinc/92/84/46/641928446.db2.gz KUJDFBUFAPXMDJ-UHFFFAOYSA-N 1 0 277.364 2.488 20 10 CECDRO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185329549 641965095 /nfs/dbraw/zinc/96/50/95/641965095.db2.gz JXCLECFNURCZFZ-GJZGRUSLSA-N 1 0 292.423 2.462 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCCCCS(C)(=O)=O ZINC000877423456 650714932 /nfs/dbraw/zinc/71/49/32/650714932.db2.gz ARXNQAKAZGLVJP-UHFFFAOYSA-N 1 0 285.409 2.005 20 10 CECDRO CCOc1ccc(C[NH2+]CCOCC(F)F)c(O)c1 ZINC000788072218 642160361 /nfs/dbraw/zinc/16/03/61/642160361.db2.gz AFBOBVYUKMFLLH-UHFFFAOYSA-N 1 0 275.295 2.162 20 10 CECDRO CCc1cccc(C[NH2+]CCc2cccc(C(N)=O)c2)c1O ZINC000848891617 642175017 /nfs/dbraw/zinc/17/50/17/642175017.db2.gz VQTGADZCAFCLDN-UHFFFAOYSA-N 1 0 298.386 2.386 20 10 CECDRO CCCCC[N@H+](CC(N)=O)Cc1cccc(CC)c1O ZINC000848901669 642180091 /nfs/dbraw/zinc/18/00/91/642180091.db2.gz ZHNMQLWZVPCCMQ-UHFFFAOYSA-N 1 0 278.396 2.432 20 10 CECDRO CCc1cccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1O ZINC000848909477 642185414 /nfs/dbraw/zinc/18/54/14/642185414.db2.gz UZLJRFJHOPTGOQ-GJZGRUSLSA-N 1 0 295.423 2.202 20 10 CECDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(C)cc2O)C1(C)C ZINC000877459825 650728785 /nfs/dbraw/zinc/72/87/85/650728785.db2.gz LURRYBVYEYLBPF-RDJZCZTQSA-N 1 0 293.407 2.356 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H]2CCOC[C@@H]2OC)c1O ZINC000848915848 642189686 /nfs/dbraw/zinc/18/96/86/642189686.db2.gz MNOXDLDWXXMIGO-ZFWWWQNUSA-N 1 0 279.380 2.096 20 10 CECDRO Cn1nccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921524579 642190307 /nfs/dbraw/zinc/19/03/07/642190307.db2.gz GBCQJHFRLMMHDC-UHFFFAOYSA-N 1 0 257.337 2.035 20 10 CECDRO C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccccc1O ZINC000848919390 642192137 /nfs/dbraw/zinc/19/21/37/642192137.db2.gz KHFYGQDKJAMMIR-UKRRQHHQSA-N 1 0 290.407 2.296 20 10 CECDRO [NH2+]=C(NCc1c(O)ccc2c1CCCC2)NC1CCC1 ZINC000849010985 642227398 /nfs/dbraw/zinc/22/73/98/642227398.db2.gz HURBTZBVVNACSO-UHFFFAOYSA-N 1 0 273.380 2.437 20 10 CECDRO CN(C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000921555313 642233955 /nfs/dbraw/zinc/23/39/55/642233955.db2.gz FQBBFCKOVZTEMP-INIZCTEOSA-N 1 0 274.408 2.441 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000877487283 650745301 /nfs/dbraw/zinc/74/53/01/650745301.db2.gz SDCYYXWEIKIOIB-BBRMVZONSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000877513484 650758847 /nfs/dbraw/zinc/75/88/47/650758847.db2.gz WWTYILWGFDPWHK-MRXNPFEDSA-N 1 0 277.364 2.082 20 10 CECDRO CO[C@H](C)C[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877522110 650764912 /nfs/dbraw/zinc/76/49/12/650764912.db2.gz APIXZHNYUATRME-CQSZACIVSA-N 1 0 292.423 2.114 20 10 CECDRO COc1cc(C[NH2+]CCCO)c(O)c(C(C)(C)C)c1 ZINC000850006072 642539612 /nfs/dbraw/zinc/53/96/12/642539612.db2.gz PIZMLUKXMKFWOR-UHFFFAOYSA-N 1 0 267.369 2.170 20 10 CECDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000186456440 642571306 /nfs/dbraw/zinc/57/13/06/642571306.db2.gz NRAYLTUKMVDDST-ZYHUDNBSSA-N 1 0 296.342 2.413 20 10 CECDRO COc1cccc(C[NH2+]CCC[C@H]2CCO2)c1O ZINC000877527300 650768326 /nfs/dbraw/zinc/76/83/26/650768326.db2.gz YFHKYEYOKCGCNM-LBPRGKRZSA-N 1 0 251.326 2.060 20 10 CECDRO COc1cccc(C[NH2+]Cc2cncc(OC)c2C)c1O ZINC000877527449 650768469 /nfs/dbraw/zinc/76/84/69/650768469.db2.gz ZZPPRFFDHAHZKC-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CO[C@H](C)C3)C2)cc1 ZINC000850347725 642675613 /nfs/dbraw/zinc/67/56/13/642675613.db2.gz WTDSCJJIGNQLBW-HZSPNIEDSA-N 1 0 276.380 2.041 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](OCC)C2)c1O ZINC000850361075 642682282 /nfs/dbraw/zinc/68/22/82/642682282.db2.gz TXVSLKZQXPRUNP-JOCQHMNTSA-N 1 0 265.353 2.448 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@H]1C[C@H](O)c3ccccc31)OCO2 ZINC000850372245 642685267 /nfs/dbraw/zinc/68/52/67/642685267.db2.gz RSFGNPBVXAQITJ-ZFWWWQNUSA-N 1 0 299.326 2.389 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000850388676 642695332 /nfs/dbraw/zinc/69/53/32/642695332.db2.gz OSLIUMBXDBTBBS-CHWSQXEVSA-N 1 0 267.756 2.439 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCC(=O)N2)cc1F ZINC000850388396 642695716 /nfs/dbraw/zinc/69/57/16/642695716.db2.gz AHZQEZQJSBGKKB-ZDUSSCGKSA-N 1 0 293.386 2.040 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000850388096 642695884 /nfs/dbraw/zinc/69/58/84/642695884.db2.gz HIQRAKPBNUAVCY-QWHCGFSZSA-N 1 0 267.756 2.439 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000850489934 642730945 /nfs/dbraw/zinc/73/09/45/642730945.db2.gz YGBJYHXMYPOVDD-UONOGXRCSA-N 1 0 276.380 2.043 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc2c(cc1O)CCCC2 ZINC000850546338 642748352 /nfs/dbraw/zinc/74/83/52/642748352.db2.gz IFWNDSAACBVJJD-RISCZKNCSA-N 1 0 288.391 2.200 20 10 CECDRO CC[C@H]([NH2+]CCN(C)C(=O)OC)c1ccc(N(C)C)cc1 ZINC000850549278 642750224 /nfs/dbraw/zinc/75/02/24/642750224.db2.gz CHBSZAIXCCLNEU-HNNXBMFYSA-N 1 0 293.411 2.492 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921996794 642831876 /nfs/dbraw/zinc/83/18/76/642831876.db2.gz IHAUCGGDDIVJBJ-NVXWUHKLSA-N 1 0 291.391 2.295 20 10 CECDRO CCn1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1=O ZINC000922074794 642866234 /nfs/dbraw/zinc/86/62/34/642866234.db2.gz YGQZIPCHRDAOER-UHFFFAOYSA-N 1 0 298.386 2.483 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(O)c1 ZINC000877572352 650795092 /nfs/dbraw/zinc/79/50/92/650795092.db2.gz POSWPTJTBBYQKD-YPMHNXCESA-N 1 0 289.297 2.446 20 10 CECDRO COCC1([NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC000922144564 642904472 /nfs/dbraw/zinc/90/44/72/642904472.db2.gz GPCHISVRJOITBZ-UHFFFAOYSA-N 1 0 291.391 2.297 20 10 CECDRO Cc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)c(O)c1 ZINC000877583031 650800645 /nfs/dbraw/zinc/80/06/45/650800645.db2.gz KJXQDNTXEXIGSE-UHFFFAOYSA-N 1 0 274.368 2.406 20 10 CECDRO CCCN1C[C@H](C[NH2+]Cc2ccc(C)cc2O)CC1=O ZINC000877595110 650806536 /nfs/dbraw/zinc/80/65/36/650806536.db2.gz RRHXVOKDVKZUFU-ZDUSSCGKSA-N 1 0 276.380 2.049 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c(O)c1 ZINC000877603235 650809590 /nfs/dbraw/zinc/80/95/90/650809590.db2.gz IMDDDEZJLBMYTE-AWEZNQCLSA-N 1 0 284.363 2.177 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(C)cc1O)C1CCOCC1 ZINC000877623191 650818385 /nfs/dbraw/zinc/81/83/85/650818385.db2.gz YYIJRJSMHRVGLS-OAHLLOKOSA-N 1 0 279.380 2.232 20 10 CECDRO C[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)CCN1C ZINC000922554262 643123194 /nfs/dbraw/zinc/12/31/94/643123194.db2.gz DAMNHAPACLUGGI-SWLSCSKDSA-N 1 0 260.381 2.194 20 10 CECDRO C[C@H]1[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCN1C ZINC000922554737 643124151 /nfs/dbraw/zinc/12/41/51/643124151.db2.gz MJCHOKFNOPSTDE-IINYFYTJSA-N 1 0 283.366 2.213 20 10 CECDRO CN(C)c1ccc(C[N@H+](C[C@@H]2CCC(=O)O2)C2CC2)cc1 ZINC000851732238 643132558 /nfs/dbraw/zinc/13/25/58/643132558.db2.gz MGKGXKUAYXAONX-INIZCTEOSA-N 1 0 288.391 2.423 20 10 CECDRO CC(C)O[C@@]1(C[NH2+]Cc2ccc(N(C)C)cc2)CCOC1 ZINC000922610168 643160844 /nfs/dbraw/zinc/16/08/44/643160844.db2.gz QAIYKXOPUOLMNA-QGZVFWFLSA-N 1 0 292.423 2.426 20 10 CECDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000922641298 643179777 /nfs/dbraw/zinc/17/97/77/643179777.db2.gz ZZWFCFBONVZIKH-RNCFNFMXSA-N 1 0 270.323 2.155 20 10 CECDRO c1cc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)cc2c1OCC2 ZINC000922722998 643229928 /nfs/dbraw/zinc/22/99/28/643229928.db2.gz XSCNKOMAJNCTPW-XHSDSOJGSA-N 1 0 271.360 2.302 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCN(C)C(C)(C)C2)c1O ZINC000110729428 643490590 /nfs/dbraw/zinc/49/05/90/643490590.db2.gz YVYHERGOVYACMW-UHFFFAOYSA-N 1 0 294.370 2.260 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C1([C@H]3CCCCO3)CC1)OCO2 ZINC000923027533 643520155 /nfs/dbraw/zinc/52/01/55/643520155.db2.gz MQGUOAQARUIYIL-OAHLLOKOSA-N 1 0 291.347 2.312 20 10 CECDRO Cc1cc(CN2CCCc3cc(C[NH3+])ccc32)ncn1 ZINC000852741206 643527126 /nfs/dbraw/zinc/52/71/26/643527126.db2.gz OMLYOFVAYGZBAP-UHFFFAOYSA-N 1 0 268.364 2.197 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877683258 650848052 /nfs/dbraw/zinc/84/80/52/650848052.db2.gz VGGVRZKGCXEARH-OADFYJJDSA-N 1 0 263.312 2.044 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852882275 643588014 /nfs/dbraw/zinc/58/80/14/643588014.db2.gz BJZCETOKBIBBKL-UHFFFAOYSA-N 1 0 287.407 2.021 20 10 CECDRO Cc1ccc(C[N@@H+](C)[C@H]2CN3CCC2CC3)c(O)c1 ZINC000877706478 650862953 /nfs/dbraw/zinc/86/29/53/650862953.db2.gz MHHFMJUBSWVNMX-HNNXBMFYSA-N 1 0 260.381 2.227 20 10 CECDRO COC(=O)C1CC([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000877721534 650870274 /nfs/dbraw/zinc/87/02/74/650870274.db2.gz QOJMJVVESJHVGW-UHFFFAOYSA-N 1 0 269.728 2.087 20 10 CECDRO C[C@@]12COC[C@H]1C[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000853566078 643814365 /nfs/dbraw/zinc/81/43/65/643814365.db2.gz LGQRRMNXTSTPQM-CXAGYDPISA-N 1 0 284.359 2.409 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCc3nccnc3C2)c1 ZINC000853605748 643831674 /nfs/dbraw/zinc/83/16/74/643831674.db2.gz HEYDUQZNTYQYAW-UHFFFAOYSA-N 1 0 269.348 2.357 20 10 CECDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000877740974 650883573 /nfs/dbraw/zinc/88/35/73/650883573.db2.gz LQCKYKDOHHGJFE-RISCZKNCSA-N 1 0 264.344 2.057 20 10 CECDRO Cn1cc(CC[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000112017359 644015434 /nfs/dbraw/zinc/01/54/34/644015434.db2.gz DDXSAJNDMJTXOY-UHFFFAOYSA-N 1 0 265.744 2.111 20 10 CECDRO C[C@H]1C[C@H](N[C@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000854223281 644016560 /nfs/dbraw/zinc/01/65/60/644016560.db2.gz BSKMDTSUETVQDL-QXEWZRGKSA-N 1 0 250.317 2.031 20 10 CECDRO CCn1nncc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000838937024 644092343 /nfs/dbraw/zinc/09/23/43/644092343.db2.gz OXDIIPNGMXEFOQ-LBPRGKRZSA-N 1 0 273.384 2.215 20 10 CECDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112380124 644102163 /nfs/dbraw/zinc/10/21/63/644102163.db2.gz VFVSSMSWRNQPDJ-ZUZCIYMTSA-N 1 0 281.352 2.008 20 10 CECDRO Cc1cc(C[NH2+]C(C)(C)CN(C)C)ccc1N(C)C ZINC000839093695 644145626 /nfs/dbraw/zinc/14/56/26/644145626.db2.gz FKMPVLBYMKYOKO-UHFFFAOYSA-N 1 0 263.429 2.491 20 10 CECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000877777758 650906564 /nfs/dbraw/zinc/90/65/64/650906564.db2.gz DOMXNWDMGLQXTR-PWSUYJOCSA-N 1 0 283.368 2.049 20 10 CECDRO CN1CCC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000113328578 644355769 /nfs/dbraw/zinc/35/57/69/644355769.db2.gz OLFBEKRTHOMSFO-SNVBAGLBSA-N 1 0 254.761 2.229 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](N3CC=CC3)C2)c1O ZINC000754741944 644423448 /nfs/dbraw/zinc/42/34/48/644423448.db2.gz PJFGWKKOBCNYDO-HNNXBMFYSA-N 1 0 288.391 2.155 20 10 CECDRO C[NH+](C)CCN(Cc1ccco1)C(=O)C1=CC(=O)CS1 ZINC000755870291 644573580 /nfs/dbraw/zinc/57/35/80/644573580.db2.gz BJADBPQMERBYRF-UHFFFAOYSA-N 1 0 294.376 2.251 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@]1(C)CCCO1 ZINC000756134888 644605650 /nfs/dbraw/zinc/60/56/50/644605650.db2.gz SKAIQJXPDZZNMA-CQSZACIVSA-N 1 0 251.326 2.060 20 10 CECDRO C[C@H]([NH2+]C[C@H]1COCCO1)c1cc(Cl)ccc1O ZINC000756434962 644648934 /nfs/dbraw/zinc/64/89/34/644648934.db2.gz RXLKDBZFEPZWGB-ONGXEEELSA-N 1 0 271.744 2.112 20 10 CECDRO CNC(=O)CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756483584 644653524 /nfs/dbraw/zinc/65/35/24/644653524.db2.gz PADHCWHQIXVZLS-MWLCHTKSSA-N 1 0 280.343 2.195 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COCC2CC2)c1 ZINC000756511937 644656697 /nfs/dbraw/zinc/65/66/97/644656697.db2.gz SLIALROZVLCBKW-OCCSQVGLSA-N 1 0 279.380 2.139 20 10 CECDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756573804 644670721 /nfs/dbraw/zinc/67/07/21/644670721.db2.gz CMIGFEMMXGAWSP-KPZWWZAWSA-N 1 0 269.410 2.428 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c(O)c1C ZINC000756639436 644677049 /nfs/dbraw/zinc/67/70/49/644677049.db2.gz YTEYZUDIKLCTKX-TZMCWYRMSA-N 1 0 276.380 2.280 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)c(O)c1C ZINC000756658532 644679959 /nfs/dbraw/zinc/67/99/59/644679959.db2.gz KSZOVJYQDYQOSJ-YPMHNXCESA-N 1 0 299.436 2.483 20 10 CECDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C1=CC(=O)CS1 ZINC000856480769 644682223 /nfs/dbraw/zinc/68/22/23/644682223.db2.gz XMCJWJLHISZTII-GFCCVEGCSA-N 1 0 294.420 2.306 20 10 CECDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756733918 644687452 /nfs/dbraw/zinc/68/74/52/644687452.db2.gz RSQNCZFZQCQEGT-OLZOCXBDSA-N 1 0 267.369 2.403 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CCO)C2CC2)c1 ZINC000756740591 644688647 /nfs/dbraw/zinc/68/86/47/644688647.db2.gz SAPXDQBSRZZMIR-IINYFYTJSA-N 1 0 265.353 2.212 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c(O)c1C ZINC000756770260 644690631 /nfs/dbraw/zinc/69/06/31/644690631.db2.gz VHQWWBUATGECTC-JQWIXIFHSA-N 1 0 285.409 2.093 20 10 CECDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000839672811 644779868 /nfs/dbraw/zinc/77/98/68/644779868.db2.gz HOXTWIPCUQONJA-UKRRQHHQSA-N 1 0 262.397 2.345 20 10 CECDRO C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843058312 644784466 /nfs/dbraw/zinc/78/44/66/644784466.db2.gz RNUKOFMVILZBED-BDAKNGLRSA-N 1 0 299.758 2.123 20 10 CECDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(C)c(C)cc1O ZINC000757921739 644857330 /nfs/dbraw/zinc/85/73/30/644857330.db2.gz ZZOBACSKBTXRJS-INIZCTEOSA-N 1 0 295.379 2.067 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCOC(C)C)c1 ZINC000757977860 644867203 /nfs/dbraw/zinc/86/72/03/644867203.db2.gz NPVPZYGLBNJALB-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO COC1(C[NH2+]Cc2ccc(N(C)C)cc2C)CCOCC1 ZINC000758340860 644919079 /nfs/dbraw/zinc/91/90/79/644919079.db2.gz GFNDMNGFAOFPRJ-UHFFFAOYSA-N 1 0 292.423 2.346 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCC[C@@H]2O)cc1F ZINC000858146866 645074486 /nfs/dbraw/zinc/07/44/86/645074486.db2.gz BYXHTRFUHNSNDB-BMIGLBTASA-N 1 0 284.350 2.281 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cc3n(n2)CCC3)c1 ZINC000858239662 645095763 /nfs/dbraw/zinc/09/57/63/645095763.db2.gz RTDMBCQFKFMRHO-UHFFFAOYSA-N 1 0 257.337 2.133 20 10 CECDRO Oc1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000858300058 645110288 /nfs/dbraw/zinc/11/02/88/645110288.db2.gz FKBAFLPOCIRDHZ-SJLPKXTDSA-N 1 0 299.370 2.299 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(C)cc1O ZINC000858522396 645190689 /nfs/dbraw/zinc/19/06/89/645190689.db2.gz DQXVGGSSUCRXDC-UKRRQHHQSA-N 1 0 278.396 2.072 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1COCCN1C)c1ccc(C)cc1O ZINC000858522397 645190927 /nfs/dbraw/zinc/19/09/27/645190927.db2.gz DQXVGGSSUCRXDC-ZFWWWQNUSA-N 1 0 278.396 2.072 20 10 CECDRO C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H](O)C1CC1 ZINC000809751577 645192293 /nfs/dbraw/zinc/19/22/93/645192293.db2.gz IWYNYNCIWMEFPN-CYBMUJFWSA-N 1 0 255.745 2.248 20 10 CECDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000858587928 645214392 /nfs/dbraw/zinc/21/43/92/645214392.db2.gz SIOSNKRTAGTQDF-VXGBXAGGSA-N 1 0 280.368 2.068 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)c1O ZINC000858592980 645216466 /nfs/dbraw/zinc/21/64/66/645216466.db2.gz QBXLDPVKSHAFNA-UTUOFQBUSA-N 1 0 265.353 2.476 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCN(C)CC(F)F)c1O ZINC000858596434 645216801 /nfs/dbraw/zinc/21/68/01/645216801.db2.gz HDMBFHJOHFTJCS-JTQLQIEISA-N 1 0 288.338 2.248 20 10 CECDRO CN(CC[NH2+][C@H]1CCc2cccc(O)c21)CC(F)F ZINC000858597212 645217244 /nfs/dbraw/zinc/21/72/44/645217244.db2.gz WWHCTDFYJQOOMW-NSHDSACASA-N 1 0 270.323 2.166 20 10 CECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000764142666 645617896 /nfs/dbraw/zinc/61/78/96/645617896.db2.gz KLANTIAXVOQPCM-QGZVFWFLSA-N 1 0 290.407 2.134 20 10 CECDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)CC1(O)CCCCC1 ZINC000878242128 651043503 /nfs/dbraw/zinc/04/35/03/651043503.db2.gz NCIPLYGNQGRKDY-HNNXBMFYSA-N 1 0 293.407 2.270 20 10 CECDRO C[C@H](CO)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000766895460 645933917 /nfs/dbraw/zinc/93/39/17/645933917.db2.gz MRJCCBHQYKNFHA-ZDUSSCGKSA-N 1 0 262.397 2.345 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC3(CCC3)C1)[C@H](O)CO2 ZINC000768463333 646127085 /nfs/dbraw/zinc/12/70/85/646127085.db2.gz HAZWBFNNGRJTBO-CQSZACIVSA-N 1 0 275.348 2.194 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3CC3)C1)[C@@H](O)CO2 ZINC000768465709 646127955 /nfs/dbraw/zinc/12/79/55/646127955.db2.gz QQKVEBNTLRKNDH-NHYWBVRUSA-N 1 0 275.348 2.050 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCCOC1 ZINC000769340281 646248465 /nfs/dbraw/zinc/24/84/65/646248465.db2.gz VLNDZBUVSLNUFN-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO Cc1cccc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)n1 ZINC000769480356 646275985 /nfs/dbraw/zinc/27/59/85/646275985.db2.gz NFDNJBOEVSQYSF-UHFFFAOYSA-N 1 0 286.331 2.456 20 10 CECDRO C/C=C/C[C@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000769936076 646336790 /nfs/dbraw/zinc/33/67/90/646336790.db2.gz CYZGVMQQRURFFM-VMZHVLLKSA-N 1 0 255.745 2.462 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H]2CCO)cc1F ZINC000862333811 646403567 /nfs/dbraw/zinc/40/35/67/646403567.db2.gz WEWDMEHLKWUJLQ-LBPRGKRZSA-N 1 0 284.350 2.378 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000862464909 646468465 /nfs/dbraw/zinc/46/84/65/646468465.db2.gz BICDLTWSKUYTTP-CQSZACIVSA-N 1 0 275.348 2.360 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000862469136 646472762 /nfs/dbraw/zinc/47/27/62/646472762.db2.gz ZNHSVMVIXGIBKB-GFCCVEGCSA-N 1 0 288.313 2.350 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H](CO)CCC(C)C)cc1OC ZINC000862480944 646474150 /nfs/dbraw/zinc/47/41/50/646474150.db2.gz PMDZHPYVEYDJBM-ZDUSSCGKSA-N 1 0 297.395 2.296 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000862529244 646485251 /nfs/dbraw/zinc/48/52/51/646485251.db2.gz QIVSHXLXAIACOD-WMLDXEAASA-N 1 0 291.391 2.385 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCO[C@](C)(COC)C2)c(O)c1 ZINC000862552486 646497185 /nfs/dbraw/zinc/49/71/85/646497185.db2.gz ZZOSEYOJXMRTMS-INIZCTEOSA-N 1 0 295.379 2.028 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC(C)(C)CCCO ZINC000771897251 646567094 /nfs/dbraw/zinc/56/70/94/646567094.db2.gz HCBNCBNCBUHCIS-UHFFFAOYSA-N 1 0 267.369 2.289 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H](CO)C3CC3)CC2)cc1 ZINC000772989032 646693331 /nfs/dbraw/zinc/69/33/31/646693331.db2.gz WIWAAINAKTVPHU-KRWDZBQOSA-N 1 0 290.407 2.025 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CCO)C2CCC2)cc1 ZINC000773889543 646784874 /nfs/dbraw/zinc/78/48/74/646784874.db2.gz XKZKMNMMKLESGO-UHFFFAOYSA-N 1 0 262.397 2.490 20 10 CECDRO CC[C@@H]([NH2+]CC[C@@H](O)COC)c1cc(Cl)ccc1O ZINC000775526556 646962797 /nfs/dbraw/zinc/96/27/97/646962797.db2.gz RXOAFLGXKSPJOM-DGCLKSJQSA-N 1 0 287.787 2.484 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000775586844 646969906 /nfs/dbraw/zinc/96/99/06/646969906.db2.gz PRTAFHCSDOPOCE-KOLCDFICSA-N 1 0 280.343 2.148 20 10 CECDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1O ZINC000775674863 646978956 /nfs/dbraw/zinc/97/89/56/646978956.db2.gz MQYAXHKJNFOCBR-CQSZACIVSA-N 1 0 277.364 2.428 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000775983061 647013332 /nfs/dbraw/zinc/01/33/32/647013332.db2.gz ARUCPGYTYIQZPG-CHWSQXEVSA-N 1 0 278.396 2.315 20 10 CECDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCCCSc1nccs1 ZINC000864462058 647016611 /nfs/dbraw/zinc/01/66/11/647016611.db2.gz RITUTLFDBMEZGL-BDAKNGLRSA-N 1 0 270.427 2.148 20 10 CECDRO Cc1cccc(C[NH2+]C[C@@H](CO)Cc2ccco2)c1O ZINC000776247956 647041590 /nfs/dbraw/zinc/04/15/90/647041590.db2.gz HJZZEMRLGLTNFV-ZDUSSCGKSA-N 1 0 275.348 2.234 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000777218564 647121464 /nfs/dbraw/zinc/12/14/64/647121464.db2.gz BLVDLSPYBDZNBS-LLVKDONJSA-N 1 0 294.395 2.136 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000120533960 647276790 /nfs/dbraw/zinc/27/67/90/647276790.db2.gz RGOGXEUQFWRWQE-GRDNDAEWSA-N 1 0 290.407 2.351 20 10 CECDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H]1O ZINC000779199547 647295773 /nfs/dbraw/zinc/29/57/73/647295773.db2.gz DZALXAZLAWQBBJ-SKDRFNHKSA-N 1 0 255.745 2.248 20 10 CECDRO Cc1cccc(C[NH+]2CCC(O)(C(F)F)CC2)c1O ZINC000779207516 647298057 /nfs/dbraw/zinc/29/80/57/647298057.db2.gz YSOIJWSDCJUJMS-UHFFFAOYSA-N 1 0 271.307 2.293 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2conc2C)c(O)c1 ZINC000865679050 647420582 /nfs/dbraw/zinc/42/05/82/647420582.db2.gz WAMBOZFTEMRXER-UHFFFAOYSA-N 1 0 262.309 2.377 20 10 CECDRO c1cc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc2c1OCC2 ZINC000865691763 647425655 /nfs/dbraw/zinc/42/56/55/647425655.db2.gz FUCIVZHYRFDJEQ-IUKJFTNHSA-N 1 0 271.360 2.135 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1 ZINC000865711139 647434263 /nfs/dbraw/zinc/43/42/63/647434263.db2.gz JAAGJNLRVDRPNT-GZMMTYOYSA-N 1 0 263.259 2.102 20 10 CECDRO c1cc(N2CCSCC2)ccc1C[NH2+]C1CSC1 ZINC000780872456 647476096 /nfs/dbraw/zinc/47/60/96/647476096.db2.gz MGCQVTCMHZXQJI-UHFFFAOYSA-N 1 0 280.462 2.445 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1O ZINC000780892563 647478512 /nfs/dbraw/zinc/47/85/12/647478512.db2.gz LMXJPXRDSUUMQH-STQMWFEESA-N 1 0 279.380 2.384 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](C)C[C@@H](C)O)ccc1OC ZINC000782978037 647667844 /nfs/dbraw/zinc/66/78/44/647667844.db2.gz JQSVOWKGGTVFCL-QWHCGFSZSA-N 1 0 281.396 2.481 20 10 CECDRO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000783505589 647722166 /nfs/dbraw/zinc/72/21/66/647722166.db2.gz IEWZPAVOYQOPGF-NEPJUHHUSA-N 1 0 278.352 2.274 20 10 CECDRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1ccccc1O ZINC000783506585 647722572 /nfs/dbraw/zinc/72/25/72/647722572.db2.gz YMDXVPKJKNECDE-VXGBXAGGSA-N 1 0 257.337 2.464 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCOCC3(CC3)C2)c1O ZINC000783600145 647735366 /nfs/dbraw/zinc/73/53/66/647735366.db2.gz WHDHHELFMCCSSW-UHFFFAOYSA-N 1 0 277.364 2.403 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C2CN(c3ccncn3)C2)c(O)c1C ZINC000866496776 647805723 /nfs/dbraw/zinc/80/57/23/647805723.db2.gz XLYUODLVXKXEHX-CYBMUJFWSA-N 1 0 298.390 2.338 20 10 CECDRO CC[C@H]([NH2+]C[C@H](O)COCC(C)C)c1ccccc1O ZINC000121081467 647806759 /nfs/dbraw/zinc/80/67/59/647806759.db2.gz MWXAUFZKUTZGTH-ZFWWWQNUSA-N 1 0 281.396 2.466 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)[C@@H]1C ZINC000787420919 648107609 /nfs/dbraw/zinc/10/76/09/648107609.db2.gz NEKGHHDINHGEJG-DGCLKSJQSA-N 1 0 263.337 2.084 20 10 CECDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1O ZINC000868374387 648111419 /nfs/dbraw/zinc/11/14/19/648111419.db2.gz RBMHRNRPSHHQQW-AVGNSLFASA-N 1 0 291.395 2.235 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1O ZINC000788268590 648167469 /nfs/dbraw/zinc/16/74/69/648167469.db2.gz GKOWXGAKLVDDLX-KWQFWETISA-N 1 0 271.744 2.009 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c(O)c1 ZINC000788633825 648209751 /nfs/dbraw/zinc/20/97/51/648209751.db2.gz VADPXSDPMQFCLG-RHSMWYFYSA-N 1 0 293.407 2.449 20 10 CECDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000840826236 648402021 /nfs/dbraw/zinc/40/20/21/648402021.db2.gz IRLIDWRZDORRDB-YDEJPDAXSA-N 1 0 271.744 2.110 20 10 CECDRO CCn1cnnc1CNCc1c([O-])ccc(Cl)c1F ZINC000790948930 648462994 /nfs/dbraw/zinc/46/29/94/648462994.db2.gz JZJGHVUNGCPGAP-UHFFFAOYSA-N 1 0 284.722 2.086 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@](C)(OC)C2)cc1OC ZINC000793217756 648725211 /nfs/dbraw/zinc/72/52/11/648725211.db2.gz PJUNPBLUQHAYFG-MRXNPFEDSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1O ZINC000794672454 648900445 /nfs/dbraw/zinc/90/04/45/648900445.db2.gz MMLWLFQPYKIZTA-MRXNPFEDSA-N 1 0 279.380 2.446 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870856136 648934864 /nfs/dbraw/zinc/93/48/64/648934864.db2.gz UCNQYVHFIMZBNZ-SHTZXODSSA-N 1 0 289.423 2.229 20 10 CECDRO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000870988746 648971824 /nfs/dbraw/zinc/97/18/24/648971824.db2.gz YHISYCWJDHQPEZ-STQMWFEESA-N 1 0 276.380 2.349 20 10 CECDRO COc1cc(O)c(C[NH2+][C@]23CCC[C@H]2OCC3)cc1OC ZINC000872263019 649332520 /nfs/dbraw/zinc/33/25/20/649332520.db2.gz HITNVGCDBCCBHF-CVEARBPZSA-N 1 0 293.363 2.211 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCCNC(=O)C2)cc1C(C)C ZINC000872825098 649496963 /nfs/dbraw/zinc/49/69/63/649496963.db2.gz HJDXLUFCQMSKGP-UHFFFAOYSA-N 1 0 276.380 2.146 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H](CO)CCOC)cc1C ZINC000873120312 649562406 /nfs/dbraw/zinc/56/24/06/649562406.db2.gz RBVADIAEEKFOOC-HNNXBMFYSA-N 1 0 281.396 2.271 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC[C@@H]2CCOC2=O)cc1 ZINC000873163598 649576605 /nfs/dbraw/zinc/57/66/05/649576605.db2.gz SSTUAKWVPAAXMA-CQSZACIVSA-N 1 0 276.380 2.186 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](C)C[C@H]2CO)c1O ZINC000879146836 651251327 /nfs/dbraw/zinc/25/13/27/651251327.db2.gz OIWXJBRKJRIATK-YGRLFVJLSA-N 1 0 295.354 2.327 20 10 CECDRO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649363 651335393 /nfs/dbraw/zinc/33/53/93/651335393.db2.gz RDYNGXPJHOKLML-VXGBXAGGSA-N 1 0 264.369 2.348 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccccc1O ZINC000879650859 651335734 /nfs/dbraw/zinc/33/57/34/651335734.db2.gz UHBPITKWCFLNLB-IUCAKERBSA-N 1 0 263.259 2.356 20 10 CECDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1ccccc1O ZINC000879652490 651336058 /nfs/dbraw/zinc/33/60/58/651336058.db2.gz DXMVAFCWEGMLPF-LBPRGKRZSA-N 1 0 288.347 2.294 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(N(C)C)cc1 ZINC000129855554 652185769 /nfs/dbraw/zinc/18/57/69/652185769.db2.gz DFLFUXDFKJEHOH-SUMWQHHRSA-N 1 0 292.423 2.191 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)C2CC2)c(Cl)c1 ZINC000883002823 652317177 /nfs/dbraw/zinc/31/71/77/652317177.db2.gz PMMKZXDZYQULGB-GFCCVEGCSA-N 1 0 255.745 2.215 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[NH2+]C1(CF)CCOCC1 ZINC000883132978 652374005 /nfs/dbraw/zinc/37/40/05/652374005.db2.gz LAHLORWILVCBOR-UHFFFAOYSA-N 1 0 275.270 2.279 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000883166916 652385948 /nfs/dbraw/zinc/38/59/48/652385948.db2.gz LOWMCVYVPLHJMX-RDJZCZTQSA-N 1 0 292.423 2.284 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCN(C)OC)cc1 ZINC000883173343 652388862 /nfs/dbraw/zinc/38/88/62/652388862.db2.gz IXLVCEWJPCGQBK-UHFFFAOYSA-N 1 0 265.401 2.116 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC23OCCO3)cc1F ZINC000883178738 652391050 /nfs/dbraw/zinc/39/10/50/652391050.db2.gz CYRIWKHJAJQRCK-OAHLLOKOSA-N 1 0 294.370 2.277 20 10 CECDRO CCN1CC[C@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000883359280 652442309 /nfs/dbraw/zinc/44/23/09/652442309.db2.gz CKDOEOLAULOLAI-OSJSJHBBSA-N 1 0 273.424 2.450 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c1 ZINC000883394782 652454485 /nfs/dbraw/zinc/45/44/85/652454485.db2.gz GWGSEXBJCWQUCG-OCCSQVGLSA-N 1 0 288.391 2.362 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2ccccc2O)o1 ZINC000134672308 652868846 /nfs/dbraw/zinc/86/88/46/652868846.db2.gz ITCKVZWUVLCMJD-UHFFFAOYSA-N 1 0 261.277 2.062 20 10 CECDRO [O-]c1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc(F)c1F ZINC000703349675 809643103 /nfs/dbraw/zinc/64/31/03/809643103.db2.gz ZDNOIEFEEYKRGM-VXGBXAGGSA-N 1 0 282.334 2.387 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1O ZINC000694587927 809752150 /nfs/dbraw/zinc/75/21/50/809752150.db2.gz FIWCFJWQUORNGJ-AWEZNQCLSA-N 1 0 297.420 2.012 20 10 CECDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000693117508 802655784 /nfs/dbraw/zinc/65/57/84/802655784.db2.gz BQQVEPRHNKMIAC-LLVKDONJSA-N 1 0 279.336 2.026 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c1 ZINC000723879273 802961132 /nfs/dbraw/zinc/96/11/32/802961132.db2.gz MZNUMSVMLGXEIR-GFCCVEGCSA-N 1 0 299.436 2.422 20 10 CECDRO C[C@@]1([NH3+])CCN(Cc2cc(Br)ccc2O)C1 ZINC000405771636 803401340 /nfs/dbraw/zinc/40/13/40/803401340.db2.gz AJOGYHDUZZYJMU-GFCCVEGCSA-N 1 0 285.185 2.078 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1O ZINC000690779337 803480536 /nfs/dbraw/zinc/48/05/36/803480536.db2.gz CDTUPTQQZSRRRC-OLZOCXBDSA-N 1 0 263.337 2.012 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C(C)(C)O)c1O ZINC000393962387 803577007 /nfs/dbraw/zinc/57/70/07/803577007.db2.gz VKHRYVSKOJEFBZ-QMMMGPOBSA-N 1 0 273.760 2.303 20 10 CECDRO CO[C@H]1CC[N@H+](Cc2cc(O)ccc2O)[C@H](C)C1 ZINC001141163297 803763172 /nfs/dbraw/zinc/76/31/72/803763172.db2.gz ZEUJPWCCUKBAHA-MFKMUULPSA-N 1 0 251.326 2.097 20 10 CECDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1=O ZINC000722361526 804381737 /nfs/dbraw/zinc/38/17/37/804381737.db2.gz MUQVIBMPDBLDLI-GXTWGEPZSA-N 1 0 276.380 2.362 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@H]1CO ZINC001232260965 807237195 /nfs/dbraw/zinc/23/71/95/807237195.db2.gz ULCYTCBWUOBLME-CABZTGNLSA-N 1 0 285.771 2.344 20 10 CECDRO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000037319385 815138036 /nfs/dbraw/zinc/13/80/36/815138036.db2.gz ZBKFOKUWRJQWOL-GRTSSRMGSA-N 1 0 289.423 2.447 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CC[C@H](O)C(F)F)c1O ZINC000716714577 815143210 /nfs/dbraw/zinc/14/32/10/815143210.db2.gz BZCRRDAACYMYNX-VIFPVBQESA-N 1 0 295.713 2.160 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](O)C(F)F)c1 ZINC000716775428 815146339 /nfs/dbraw/zinc/14/63/39/815146339.db2.gz VYEJFDXLUJQGQR-SKDRFNHKSA-N 1 0 259.296 2.367 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+]CC1(O)CCC1 ZINC000691427028 807883117 /nfs/dbraw/zinc/88/31/17/807883117.db2.gz BKTFLFQTZLWFGJ-UHFFFAOYSA-N 1 0 286.169 2.159 20 10 CECDRO CCc1cccc(C[NH2+]CCC(=O)NC(C)(C)C)c1O ZINC000691466593 807890043 /nfs/dbraw/zinc/89/00/43/807890043.db2.gz OTJWGIRFGLMTRI-UHFFFAOYSA-N 1 0 278.396 2.349 20 10 CECDRO Oc1cc(Cl)c(Cl)cc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236300217 808061244 /nfs/dbraw/zinc/06/12/44/808061244.db2.gz ZUHLCMMLHHZHEO-KCJUWKMLSA-N 1 0 273.163 2.103 20 10 CECDRO CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c(O)c1 ZINC001236784444 808165630 /nfs/dbraw/zinc/16/56/30/808165630.db2.gz WSYNCOUUHIIJCD-ZIAGYGMSSA-N 1 0 267.344 2.249 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1O ZINC001237681075 808240031 /nfs/dbraw/zinc/24/00/31/808240031.db2.gz KXEAJNZBFVZAFS-RYUDHWBXSA-N 1 0 273.735 2.259 20 10 CECDRO COc1ccc(C[NH2+]Cc2cc(OC)ccc2O)nc1 ZINC001120033441 815191005 /nfs/dbraw/zinc/19/10/05/815191005.db2.gz ONYZYOHMJPJQSF-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO Cc1ncncc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001238178724 808320658 /nfs/dbraw/zinc/32/06/58/808320658.db2.gz QCBSQVPGUSOETP-UHFFFAOYSA-N 1 0 270.380 2.483 20 10 CECDRO Cc1cc(C)c(CN2C[C@H]([NH3+])CC(F)(F)C2)c(O)c1 ZINC001206139794 815199179 /nfs/dbraw/zinc/19/91/79/815199179.db2.gz QEEWEOWGLKOJHT-LLVKDONJSA-N 1 0 270.323 2.177 20 10 CECDRO Nc1ccc(C[NH2+][C@@H]2CNc3ccccc3C2)cc1 ZINC001120269385 815209600 /nfs/dbraw/zinc/20/96/00/815209600.db2.gz RSBDCPXQGMCUIX-HNNXBMFYSA-N 1 0 253.349 2.395 20 10 CECDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(N)cc1 ZINC001120623335 815247286 /nfs/dbraw/zinc/24/72/86/815247286.db2.gz SRZQFKILJGYKCI-CYBMUJFWSA-N 1 0 292.427 2.188 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2SC)c(O)c1 ZINC000701992614 809483255 /nfs/dbraw/zinc/48/32/55/809483255.db2.gz KTWPPHKEGDEXSR-DGCLKSJQSA-N 1 0 253.367 2.384 20 10 CECDRO CC[C@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000706852270 809857774 /nfs/dbraw/zinc/85/77/74/809857774.db2.gz ZHCDLTZQORKZBM-QMMMGPOBSA-N 1 0 274.158 2.015 20 10 CECDRO Cc1cc(C)c(C[NH2+][C@@H]2CCN3C(=O)CC[C@H]3C2)c(O)c1 ZINC001172163232 815325711 /nfs/dbraw/zinc/32/57/11/815325711.db2.gz UUAORNWVWBIZHC-KGLIPLIRSA-N 1 0 288.391 2.252 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000708481122 809928341 /nfs/dbraw/zinc/92/83/41/809928341.db2.gz OKUMAVNSHDOCOH-JTQLQIEISA-N 1 0 282.334 2.244 20 10 CECDRO CC(C)[N@H+](C)CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708517891 809944642 /nfs/dbraw/zinc/94/46/42/809944642.db2.gz XGXYNOOLQAECGQ-UHFFFAOYSA-N 1 0 272.339 2.490 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cn(C)cn1 ZINC000709956130 809976889 /nfs/dbraw/zinc/97/68/89/809976889.db2.gz YLJODDSDTZCARJ-LBPRGKRZSA-N 1 0 258.369 2.337 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c1O ZINC000387963101 810385307 /nfs/dbraw/zinc/38/53/07/810385307.db2.gz ROCFHGGQSOFJKG-DGCLKSJQSA-N 1 0 265.353 2.042 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCC[NH2+]C ZINC001122025927 815378920 /nfs/dbraw/zinc/37/89/20/815378920.db2.gz LYHLVOVLKLUVSV-UHFFFAOYSA-N 1 0 291.439 2.491 20 10 CECDRO CC[C@@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000378764370 810672056 /nfs/dbraw/zinc/67/20/56/810672056.db2.gz XOBJCUGMIOQHCB-QGZVFWFLSA-N 1 0 290.407 2.182 20 10 CECDRO C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC001122257892 815396598 /nfs/dbraw/zinc/39/65/98/815396598.db2.gz FDOZRCXZWCDYET-NHYWBVRUSA-N 1 0 280.343 2.055 20 10 CECDRO [NH3+][C@@H](C(=O)NCc1c(O)cccc1F)C1CCCCCC1 ZINC001122258264 815397455 /nfs/dbraw/zinc/39/74/55/815397455.db2.gz PLEDNTJDCKZSKG-OAHLLOKOSA-N 1 0 294.370 2.445 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)C2CCC2)cc1C ZINC001122461836 815414629 /nfs/dbraw/zinc/41/46/29/815414629.db2.gz KZXKLVOREZZPDR-UHFFFAOYSA-N 1 0 276.380 2.010 20 10 CECDRO CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001169483776 811529588 /nfs/dbraw/zinc/52/95/88/811529588.db2.gz GLSRKIFYOSYKIS-ZDUSSCGKSA-N 1 0 290.407 2.397 20 10 CECDRO CC(C)[C@@H](CO)C[NH2+]Cc1c(O)cccc1Cl ZINC000394088356 811649632 /nfs/dbraw/zinc/64/96/32/811649632.db2.gz OYGMVJXORIUZCB-SNVBAGLBSA-N 1 0 257.761 2.400 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(C)=O)C2)cc1C ZINC001047655611 811886388 /nfs/dbraw/zinc/88/63/88/811886388.db2.gz AVYBKTVIAWWULQ-CJNGLKHVSA-N 1 0 290.407 2.350 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCN2C(C)(C)C)c1 ZINC000690393824 811972753 /nfs/dbraw/zinc/97/27/53/811972753.db2.gz QPKKQVNYLDTKJO-CYBMUJFWSA-N 1 0 278.396 2.363 20 10 CECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2O)CCO1 ZINC001170180836 812326502 /nfs/dbraw/zinc/32/65/02/812326502.db2.gz CLGSLLDRQPMOGT-NWDGAFQWSA-N 1 0 251.326 2.145 20 10 CECDRO CCc1cccc(C[NH2+]CCc2ccnn2C)c1O ZINC000691528761 812579474 /nfs/dbraw/zinc/57/94/74/812579474.db2.gz ZWXHITDPKAABIP-UHFFFAOYSA-N 1 0 259.353 2.020 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCCOCC2)c1O ZINC000386534701 813175713 /nfs/dbraw/zinc/17/57/13/813175713.db2.gz PVAXXYDSSGSWHV-LBPRGKRZSA-N 1 0 251.326 2.060 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCOC(F)F)c1 ZINC000398119865 813659242 /nfs/dbraw/zinc/65/92/42/813659242.db2.gz CMBDZNDSLGUQAC-QMMMGPOBSA-N 1 0 261.268 2.291 20 10 CECDRO CCN1CC[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000712597341 814756115 /nfs/dbraw/zinc/75/61/15/814756115.db2.gz XXQOJZKYKRMUPH-LBPRGKRZSA-N 1 0 254.761 2.229 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC(CO)CC2)c(O)c1 ZINC001116585332 814867228 /nfs/dbraw/zinc/86/72/28/814867228.db2.gz XOKPAXCCYNIZQM-AWEZNQCLSA-N 1 0 292.423 2.056 20 10 CECDRO [NH3+][C@@H]1CCN(Cc2cc(F)c(Cl)cc2O)CC[C@@H]1F ZINC001206197113 815638036 /nfs/dbraw/zinc/63/80/36/815638036.db2.gz GETTVOPRFWTRSD-CMPLNLGQSA-N 1 0 290.741 2.446 20 10 CECDRO CC[C@@H]1CC[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001173269530 815646666 /nfs/dbraw/zinc/64/66/66/815646666.db2.gz WQZNVFWCYCJONN-ZYHUDNBSSA-N 1 0 263.337 2.449 20 10 CECDRO CC(C)C[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137832789 815693256 /nfs/dbraw/zinc/69/32/56/815693256.db2.gz HUGSKUPPEGKVNJ-UHFFFAOYSA-N 1 0 266.360 2.305 20 10 CECDRO [O-]c1c(F)cccc1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001138122567 815731228 /nfs/dbraw/zinc/73/12/28/815731228.db2.gz NFDZYALUCCCLHU-CQSZACIVSA-N 1 0 271.307 2.218 20 10 CECDRO COC(=O)C[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138129663 815733534 /nfs/dbraw/zinc/73/35/34/815733534.db2.gz QABDUTSUFFVEMY-LLVKDONJSA-N 1 0 281.327 2.306 20 10 CECDRO C[NH+]1CC2(C1)CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001138129517 815734083 /nfs/dbraw/zinc/73/40/83/815734083.db2.gz IFEWZAVWWFFSGU-UHFFFAOYSA-N 1 0 264.344 2.059 20 10 CECDRO C[NH+]1CCC2(C[NH+](Cc3cccc(F)c3[O-])C2)CC1 ZINC001138129606 815734302 /nfs/dbraw/zinc/73/43/02/815734302.db2.gz MPOHCLIXJZDVQD-UHFFFAOYSA-N 1 0 264.344 2.059 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c2ccccc2n1C ZINC001138252837 815754908 /nfs/dbraw/zinc/75/49/08/815754908.db2.gz WHQKDFAOKTXWJG-GOEBONIOSA-N 1 0 276.355 2.391 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354258 815772820 /nfs/dbraw/zinc/77/28/20/815772820.db2.gz CFVFHUNQGOAXMS-OAHLLOKOSA-N 1 0 288.391 2.064 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCCOCC3)ccc21 ZINC001138354762 815774885 /nfs/dbraw/zinc/77/48/85/815774885.db2.gz TXTQWOKYJVOUJN-UHFFFAOYSA-N 1 0 260.381 2.291 20 10 CECDRO CN1CCCc2cc(C[N@H+]3CC[C@@H](F)[C@@H](O)CC3)ccc21 ZINC001138354982 815775521 /nfs/dbraw/zinc/77/55/21/815775521.db2.gz XLFJTAWNWAWRNN-WBVHZDCISA-N 1 0 292.398 2.364 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1)c1ccccc1O ZINC001173734486 815805304 /nfs/dbraw/zinc/80/53/04/815805304.db2.gz FWZNBLHHGMSPSS-YNEHKIRRSA-N 1 0 287.367 2.213 20 10 CECDRO CCCNC(=O)C[N@H+](CCC)Cc1ccc(N)cc1 ZINC000035364838 815950098 /nfs/dbraw/zinc/95/00/98/815950098.db2.gz ZYFITJJLJAIONQ-UHFFFAOYSA-N 1 0 263.385 2.007 20 10 CECDRO COc1cc(CN2CC[C@@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139255630 815997016 /nfs/dbraw/zinc/99/70/16/815997016.db2.gz QZLLIBLHNBUTLI-CYBMUJFWSA-N 1 0 282.359 2.006 20 10 CECDRO CC(C)[C@@H]1COCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140058941 816180396 /nfs/dbraw/zinc/18/03/96/816180396.db2.gz PZRMTOUSIKZVSZ-ZDUSSCGKSA-N 1 0 253.317 2.388 20 10 CECDRO CCC(=O)N1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140178792 816204917 /nfs/dbraw/zinc/20/49/17/816204917.db2.gz XRQPKNFCUHEAGK-UHFFFAOYSA-N 1 0 276.380 2.063 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)c1O ZINC001140181389 816206372 /nfs/dbraw/zinc/20/63/72/816206372.db2.gz UEIDAWBVOWDZCE-HUUCEWRRSA-N 1 0 288.391 2.204 20 10 CECDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1c(O)cccc1Cl ZINC001140337985 816237304 /nfs/dbraw/zinc/23/73/04/816237304.db2.gz PQNJCRGCOINWGY-UWVGGRQHSA-N 1 0 255.745 2.391 20 10 CECDRO Oc1cccc(Cl)c1C[N@H+]1CCc2nccn2CC1 ZINC001140341660 816237409 /nfs/dbraw/zinc/23/74/09/816237409.db2.gz AQMWIKHXISPQCQ-UHFFFAOYSA-N 1 0 277.755 2.300 20 10 CECDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140341992 816238218 /nfs/dbraw/zinc/23/82/18/816238218.db2.gz OFWMNSUPUGIDAS-LLVKDONJSA-N 1 0 282.771 2.098 20 10 CECDRO CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(Cl)cc1O ZINC001140465490 816259876 /nfs/dbraw/zinc/25/98/76/816259876.db2.gz OJXWUONCNJLDFI-CHWSQXEVSA-N 1 0 294.782 2.241 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC3(CCCNC3=O)CC2)c1 ZINC001140621009 816306119 /nfs/dbraw/zinc/30/61/19/816306119.db2.gz LXYCFOAXECELRI-UHFFFAOYSA-N 1 0 288.391 2.193 20 10 CECDRO CC[N@H+](CCn1ccnc1)Cc1cc(C)ccc1O ZINC001140623699 816307005 /nfs/dbraw/zinc/30/70/05/816307005.db2.gz QNGRBEMKMDQBML-UHFFFAOYSA-N 1 0 259.353 2.419 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)[C@H]1C ZINC001140623290 816307200 /nfs/dbraw/zinc/30/72/00/816307200.db2.gz NCPVTMDVHCEDCP-JSGCOSHPSA-N 1 0 277.364 2.474 20 10 CECDRO CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1F ZINC001140662212 816316887 /nfs/dbraw/zinc/31/68/87/816316887.db2.gz JDXNUIPOVOZPAC-UHFFFAOYSA-N 1 0 252.333 2.114 20 10 CECDRO Cc1c(O)ccc(CN2CCC([NH+]3CCCC3)CC2)c1O ZINC001140742208 816338190 /nfs/dbraw/zinc/33/81/90/816338190.db2.gz KBROFOXBUAGBLO-UHFFFAOYSA-N 1 0 290.407 2.466 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1O ZINC001140745088 816339601 /nfs/dbraw/zinc/33/96/01/816339601.db2.gz VMYFOAJOGGDYOL-VZJVUDMVSA-N 1 0 277.364 2.406 20 10 CECDRO CCOC(=O)[C@H]1CCCCN1Cc1ccc(O)c(C)c1O ZINC001140748832 816342881 /nfs/dbraw/zinc/34/28/81/816342881.db2.gz LNTGOXNSJVNEIW-CYBMUJFWSA-N 1 0 293.363 2.324 20 10 CECDRO Cc1c(O)ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)c1O ZINC001140749587 816343864 /nfs/dbraw/zinc/34/38/64/816343864.db2.gz FSZWLKFEDHUSPE-VHSXEESVSA-N 1 0 251.326 2.015 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001140751446 816344354 /nfs/dbraw/zinc/34/43/54/816344354.db2.gz WTIXJKRGLADZEA-WCQYABFASA-N 1 0 275.348 2.207 20 10 CECDRO COCC[N@H+](C)Cc1ccc(N(C)C)cc1Cl ZINC001140921332 816411224 /nfs/dbraw/zinc/41/12/24/816411224.db2.gz BIGDITJKLOZRDL-UHFFFAOYSA-N 1 0 256.777 2.484 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCC[C@](O)(CF)C2)c(O)c1 ZINC001140947749 816422303 /nfs/dbraw/zinc/42/23/03/816422303.db2.gz DDXLALAAQYVGLT-HNNXBMFYSA-N 1 0 267.344 2.387 20 10 CECDRO CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3O)C[C@@H]2C1 ZINC001140953577 816424131 /nfs/dbraw/zinc/42/41/31/816424131.db2.gz CFGLWNWTLZQMLL-IYBDPMFKSA-N 1 0 274.408 2.474 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c(O)c1 ZINC001140957470 816426435 /nfs/dbraw/zinc/42/64/35/816426435.db2.gz AFAAZKFVHYALFK-BETUJISGSA-N 1 0 283.318 2.414 20 10 CECDRO CCC1(O)CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141029684 816449450 /nfs/dbraw/zinc/44/94/50/816449450.db2.gz ZVCJHNCQJOYKRW-UHFFFAOYSA-N 1 0 295.379 2.146 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c(OC)c1 ZINC001141031815 816451931 /nfs/dbraw/zinc/45/19/31/816451931.db2.gz MVMXCGOICCCRFQ-BXUZGUMPSA-N 1 0 295.379 2.002 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@H]1O ZINC001141139773 816484103 /nfs/dbraw/zinc/48/41/03/816484103.db2.gz BGCFNZOZTNVBRN-XJKSGUPXSA-N 1 0 290.407 2.108 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC001141160906 816491579 /nfs/dbraw/zinc/49/15/79/816491579.db2.gz JHFJNPCCNISIME-OAHLLOKOSA-N 1 0 286.331 2.146 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CC[C@@]1(C)O ZINC001142508916 816677813 /nfs/dbraw/zinc/67/78/13/816677813.db2.gz PRVWSDSHPMYDQW-YMTOWFKASA-N 1 0 271.307 2.263 20 10 CECDRO [NH3+]C[C@]1(F)CCCCN(Cc2cc(F)c(F)cc2O)C1 ZINC001206362393 816828459 /nfs/dbraw/zinc/82/84/59/816828459.db2.gz PABRTMLCBAFOQY-CQSZACIVSA-N 1 0 288.313 2.323 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCOCC2)c1 ZINC000036319392 361841065 /nfs/dbraw/zinc/84/10/65/361841065.db2.gz RYZPLRJHHZYJOL-JTQLQIEISA-N 1 0 251.326 2.230 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCCNC2=O)c(O)c1 ZINC000036976451 361877076 /nfs/dbraw/zinc/87/70/76/361877076.db2.gz XMCIWYWKZKFTSP-YPMHNXCESA-N 1 0 262.353 2.020 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[NH+]2CCCCCC2)cc1 ZINC000007115167 343358201 /nfs/dbraw/zinc/35/82/01/343358201.db2.gz WLEPDHLEARUBPE-UHFFFAOYSA-N 1 0 289.423 2.245 20 10 CECDRO CCOc1cccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1O ZINC000091899238 344173811 /nfs/dbraw/zinc/17/38/11/344173811.db2.gz LWXZFXDKTSYYTR-JSGCOSHPSA-N 1 0 279.380 2.384 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(C)(C)O)c1 ZINC000271818698 344667501 /nfs/dbraw/zinc/66/75/01/344667501.db2.gz NLLUBSFCRRTFNZ-JTQLQIEISA-N 1 0 253.342 2.212 20 10 CECDRO COC(=O)[C@@]1(F)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000074723039 363376438 /nfs/dbraw/zinc/37/64/38/363376438.db2.gz LMRMGPFVEDSYAB-OAHLLOKOSA-N 1 0 281.327 2.096 20 10 CECDRO COc1ccc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000076851211 363544479 /nfs/dbraw/zinc/54/44/79/363544479.db2.gz CJUQKUWABPMGMI-KRWDZBQOSA-N 1 0 290.407 2.386 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)CCn2cccn2)cc1C ZINC000111168473 364725334 /nfs/dbraw/zinc/72/53/34/364725334.db2.gz UJPCLXHPPFIZAJ-UHFFFAOYSA-N 1 0 259.353 2.338 20 10 CECDRO COCCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000118000225 365136566 /nfs/dbraw/zinc/13/65/66/365136566.db2.gz YDSRFVNHKLONDE-UHFFFAOYSA-N 1 0 292.423 2.382 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245587336 370844819 /nfs/dbraw/zinc/84/48/19/370844819.db2.gz FBLQHAPGKGNXGL-OCCSQVGLSA-N 1 0 265.378 2.099 20 10 CECDRO CC(=O)N1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179633694 368345321 /nfs/dbraw/zinc/34/53/21/368345321.db2.gz HPBSDNHBONIVKE-UHFFFAOYSA-N 1 0 296.798 2.408 20 10 CECDRO CCCNC(=O)C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000179662606 368346959 /nfs/dbraw/zinc/34/69/59/368346959.db2.gz AHGHYRWNBFPNOE-UHFFFAOYSA-N 1 0 290.407 2.439 20 10 CECDRO Cc1cc(CN(C)Cc2cc(F)ccc2O)no1 ZINC000179938915 368360328 /nfs/dbraw/zinc/36/03/28/368360328.db2.gz MILJNYZDINAXQL-UHFFFAOYSA-N 1 0 250.273 2.460 20 10 CECDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000180682311 368392383 /nfs/dbraw/zinc/39/23/83/368392383.db2.gz GZVREMWYBPEATQ-JTQLQIEISA-N 1 0 284.787 2.168 20 10 CECDRO CCN(C)C(=O)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000185188412 368763365 /nfs/dbraw/zinc/76/33/65/368763365.db2.gz APPHSKXXXGCRDN-UHFFFAOYSA-N 1 0 277.412 2.101 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2O)C[C@H]1C ZINC000188108980 369297291 /nfs/dbraw/zinc/29/72/91/369297291.db2.gz IIUSLODHVDZUEL-YPMHNXCESA-N 1 0 263.337 2.023 20 10 CECDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188107042 369297559 /nfs/dbraw/zinc/29/75/59/369297559.db2.gz MTIOLXGPGOMBSG-OLZOCXBDSA-N 1 0 296.386 2.348 20 10 CECDRO COc1cc(O)c(C[NH2+]CC=C(C)C)cc1OC ZINC000191614962 369726474 /nfs/dbraw/zinc/72/64/74/369726474.db2.gz JNJRMRGVVPTLCW-UHFFFAOYSA-N 1 0 251.326 2.465 20 10 CECDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1O ZINC000191673983 369732540 /nfs/dbraw/zinc/73/25/40/369732540.db2.gz OLLPWFIICXHRQE-KYOSRNDESA-N 1 0 275.348 2.166 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CCO)COC)cc1 ZINC000268995711 372308581 /nfs/dbraw/zinc/30/85/81/372308581.db2.gz IHPWXTVHGRSLDK-UKRRQHHQSA-N 1 0 280.412 2.191 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)Cn2cncn2)cc1 ZINC000269012583 372314137 /nfs/dbraw/zinc/31/41/37/372314137.db2.gz NYHKHHDNNQQBGS-KGLIPLIRSA-N 1 0 287.411 2.474 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)[C@H](O)C(F)(F)F ZINC000271015700 373067985 /nfs/dbraw/zinc/06/79/85/373067985.db2.gz TVQPGSWEULOLKB-JQWIXIFHSA-N 1 0 277.286 2.492 20 10 CECDRO CCCOc1ccc(C[NH+]2CCC(CO)CC2)c(O)c1 ZINC000271024570 373074287 /nfs/dbraw/zinc/07/42/87/373074287.db2.gz CTSUDCBPRPBOQL-UHFFFAOYSA-N 1 0 279.380 2.385 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000367317273 373147131 /nfs/dbraw/zinc/14/71/31/373147131.db2.gz JIWFMQIRXFCWBB-CZUORRHYSA-N 1 0 290.363 2.418 20 10 CECDRO Cc1cccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000271766375 373200996 /nfs/dbraw/zinc/20/09/96/373200996.db2.gz AJCZJWDQZMLJKM-LLVKDONJSA-N 1 0 263.259 2.104 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000271798418 373201420 /nfs/dbraw/zinc/20/14/20/373201420.db2.gz IIMDSONRZDQSOP-OAHLLOKOSA-N 1 0 291.322 2.363 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccc(N(C)C)cc1 ZINC000368608679 373249452 /nfs/dbraw/zinc/24/94/52/373249452.db2.gz QWSKNXWBMNCYCG-MPESAESLSA-N 1 0 260.381 2.296 20 10 CECDRO COCCCOCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000272353746 373444834 /nfs/dbraw/zinc/44/48/34/373444834.db2.gz LGCBRBWDZHGFFG-UHFFFAOYSA-N 1 0 298.402 2.377 20 10 CECDRO Cc1nccn1CCC[NH2+]Cc1cc(F)ccc1O ZINC000272395203 373462735 /nfs/dbraw/zinc/46/27/35/373462735.db2.gz JJACYNUYMHXTMM-UHFFFAOYSA-N 1 0 263.316 2.216 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(C)cc2O)n1 ZINC000273418516 373755496 /nfs/dbraw/zinc/75/54/96/373755496.db2.gz IWXXNCWHIFOZKU-JTQLQIEISA-N 1 0 260.341 2.020 20 10 CECDRO COCCOCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273391997 373755790 /nfs/dbraw/zinc/75/57/90/373755790.db2.gz LAZDOULSUFWFMK-ZDUSSCGKSA-N 1 0 267.369 2.323 20 10 CECDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273445319 373757421 /nfs/dbraw/zinc/75/74/21/373757421.db2.gz DYDTXPZDFPWZFA-AAEUAGOBSA-N 1 0 299.436 2.483 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Cl)ccc1O ZINC000273480130 373760088 /nfs/dbraw/zinc/76/00/88/373760088.db2.gz LWPRGSSUKXYJCD-ZUZCIYMTSA-N 1 0 299.798 2.484 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccccc1O ZINC000375301873 374650233 /nfs/dbraw/zinc/65/02/33/374650233.db2.gz HZDQZXIKTGVOCL-GRDNDAEWSA-N 1 0 288.391 2.490 20 10 CECDRO Cc1cccc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1O ZINC000375472595 374660343 /nfs/dbraw/zinc/66/03/43/374660343.db2.gz WZIBSEGEINBOLY-HUUCEWRRSA-N 1 0 289.375 2.271 20 10 CECDRO CSCCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000281211421 375364368 /nfs/dbraw/zinc/36/43/68/375364368.db2.gz JUCMDKGUTCNUIQ-UHFFFAOYSA-N 1 0 269.366 2.306 20 10 CECDRO COCC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000281587930 375388428 /nfs/dbraw/zinc/38/84/28/375388428.db2.gz LMJNZTBEWUDCCL-GXSJLCMTSA-N 1 0 273.760 2.094 20 10 CECDRO C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1ccccc1O ZINC000284404829 375827995 /nfs/dbraw/zinc/82/79/95/375827995.db2.gz PYWXULUBIKXCAW-ZOWXZIJZSA-N 1 0 281.396 2.201 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CSC[C@@H]2C)c1O ZINC000285375263 375837759 /nfs/dbraw/zinc/83/77/59/375837759.db2.gz CMKCZLQYFQKBHU-ONGXEEELSA-N 1 0 253.367 2.242 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CSC[C@H]2C)c1O ZINC000285375260 375837965 /nfs/dbraw/zinc/83/79/65/375837965.db2.gz CMKCZLQYFQKBHU-MWLCHTKSSA-N 1 0 253.367 2.242 20 10 CECDRO Cc1cnn(C)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000289152631 376388622 /nfs/dbraw/zinc/38/86/22/376388622.db2.gz QIVZABNHRWBYCK-UHFFFAOYSA-N 1 0 272.396 2.427 20 10 CECDRO Cc1cccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1O ZINC000289266669 376390578 /nfs/dbraw/zinc/39/05/78/376390578.db2.gz GAUFHQZNJJDAKJ-UHFFFAOYSA-N 1 0 297.420 2.148 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@H](O)C(F)F ZINC000295071658 378038070 /nfs/dbraw/zinc/03/80/70/378038070.db2.gz PIEZKJMGJPLFAW-YPMHNXCESA-N 1 0 273.323 2.498 20 10 CECDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000295077220 378040398 /nfs/dbraw/zinc/04/03/98/378040398.db2.gz PWRGKCSWQHYVGH-LBPRGKRZSA-N 1 0 250.386 2.392 20 10 CECDRO CC1(C)COCCN1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297734114 378689881 /nfs/dbraw/zinc/68/98/81/378689881.db2.gz NRKJSKFZKLCSOE-AWEZNQCLSA-N 1 0 290.407 2.080 20 10 CECDRO CCC[C@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000305098929 379635857 /nfs/dbraw/zinc/63/58/57/379635857.db2.gz AIGQTIUXPGLPOE-INIZCTEOSA-N 1 0 292.423 2.415 20 10 CECDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cc(F)ccc1O ZINC000529643990 380181204 /nfs/dbraw/zinc/18/12/04/380181204.db2.gz LFPCWFJROPCPDE-IINYFYTJSA-N 1 0 251.301 2.188 20 10 CECDRO CCOc1ccc(CN[C@H]2CC[NH2+]C23CCC3)c(O)c1 ZINC000530176607 380196123 /nfs/dbraw/zinc/19/61/23/380196123.db2.gz CPXTYNYPOFVBRU-HNNXBMFYSA-N 1 0 276.380 2.165 20 10 CECDRO COc1ccc(C[NH2+]C[C@@](C)(O)CSC)cc1C ZINC000217861979 394456234 /nfs/dbraw/zinc/45/62/34/394456234.db2.gz WUHNSYBMVJEDRG-CQSZACIVSA-N 1 0 269.410 2.207 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000093645781 394668228 /nfs/dbraw/zinc/66/82/28/394668228.db2.gz JYGGTGHEVBJLDQ-OAHLLOKOSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccccc1O ZINC000105442921 394722007 /nfs/dbraw/zinc/72/20/07/394722007.db2.gz BVLHDPZTYGPMNQ-GFCCVEGCSA-N 1 0 259.353 2.323 20 10 CECDRO C[C@@H](CNC(=O)N(C)Cc1ccccc1O)[N@H+](C)C1CC1 ZINC000105267338 394722049 /nfs/dbraw/zinc/72/20/49/394722049.db2.gz SVMCYJLEQWHMIN-LBPRGKRZSA-N 1 0 291.395 2.016 20 10 CECDRO Cc1cccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c1O ZINC000119113194 394764093 /nfs/dbraw/zinc/76/40/93/394764093.db2.gz AMFQPNWDOOSULU-UHFFFAOYSA-N 1 0 288.391 2.145 20 10 CECDRO C[N@H+](CCCF)Cc1ccc(N2CCOCC2)cc1 ZINC000119392294 394767475 /nfs/dbraw/zinc/76/74/75/394767475.db2.gz RORZBBYLQPCVTC-UHFFFAOYSA-N 1 0 266.360 2.315 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC3(CCC3)C1)OCO2 ZINC000121967525 394807383 /nfs/dbraw/zinc/80/73/83/394807383.db2.gz BJVVWEVZWTWBCM-UHFFFAOYSA-N 1 0 261.321 2.497 20 10 CECDRO Oc1ccc(Cl)cc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000364446873 394904140 /nfs/dbraw/zinc/90/41/40/394904140.db2.gz KCBHMJHYHWLGJW-GFCCVEGCSA-N 1 0 253.729 2.002 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1O ZINC000293517625 395237347 /nfs/dbraw/zinc/23/73/47/395237347.db2.gz AQOCQVANKSYRGZ-CQSZACIVSA-N 1 0 277.364 2.280 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)C(F)F ZINC000294972045 395281886 /nfs/dbraw/zinc/28/18/86/395281886.db2.gz FUPRPSJYJNTSLK-STQMWFEESA-N 1 0 272.339 2.247 20 10 CECDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187762176 395305314 /nfs/dbraw/zinc/30/53/14/395305314.db2.gz BDOQAQKOLXGGRJ-DTWKUNHWSA-N 1 0 259.296 2.482 20 10 CECDRO C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccccc1O ZINC000183395465 395256408 /nfs/dbraw/zinc/25/64/08/395256408.db2.gz VLMRWURCWWWPOM-LLVKDONJSA-N 1 0 274.320 2.066 20 10 CECDRO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccccc1O ZINC000183614422 395261264 /nfs/dbraw/zinc/26/12/64/395261264.db2.gz DNWLMQUYEZYPGL-LBPRGKRZSA-N 1 0 276.380 2.349 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCCC3)c(O)c1 ZINC000183847789 395265825 /nfs/dbraw/zinc/26/58/25/395265825.db2.gz ZDDSEGMPELQJAR-LBPRGKRZSA-N 1 0 286.379 2.479 20 10 CECDRO C[C@@H]([NH3+])CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000193300733 395405982 /nfs/dbraw/zinc/40/59/82/395405982.db2.gz HLWNJQDNJMOULO-CYBMUJFWSA-N 1 0 275.396 2.030 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)(C)O ZINC000293031446 522647839 /nfs/dbraw/zinc/64/78/39/522647839.db2.gz PTZHZBYRHUFARL-AWEZNQCLSA-N 1 0 250.386 2.392 20 10 CECDRO CC[C@@H]([NH2+]CCCN1CCOCC1)c1ccccc1O ZINC000020141813 171028414 /nfs/dbraw/zinc/02/84/14/171028414.db2.gz WZCBDDVJUVXCRU-OAHLLOKOSA-N 1 0 278.396 2.155 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000035601134 172290232 /nfs/dbraw/zinc/29/02/32/172290232.db2.gz AUAJZHVJQISIPW-INIZCTEOSA-N 1 0 273.332 2.224 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)c1 ZINC000036933343 260052845 /nfs/dbraw/zinc/05/28/45/260052845.db2.gz DVJPPXAUASXYHM-ZIAGYGMSSA-N 1 0 278.396 2.072 20 10 CECDRO c1cc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000037363293 260095113 /nfs/dbraw/zinc/09/51/13/260095113.db2.gz WRNHFEGCICMEFG-JKSUJKDBSA-N 1 0 272.392 2.338 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)[C@H]1SC ZINC000298198595 260147662 /nfs/dbraw/zinc/14/76/62/260147662.db2.gz XQTMMHFBWKJNCI-NJZAAPMLSA-N 1 0 297.420 2.399 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)c1 ZINC000128099715 260371740 /nfs/dbraw/zinc/37/17/40/260371740.db2.gz OMBBBZUMIWSVCO-FZZIBODNSA-N 1 0 265.353 2.211 20 10 CECDRO C[C@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151989774 261057780 /nfs/dbraw/zinc/05/77/80/261057780.db2.gz ICOHEOSWTODZBO-OLZOCXBDSA-N 1 0 296.386 2.084 20 10 CECDRO CC[C@H]([NH2+]CCN(C)CCOC)c1ccc(N(C)C)cc1 ZINC000159366157 261184926 /nfs/dbraw/zinc/18/49/26/261184926.db2.gz CUEBYEKQPJJLFV-KRWDZBQOSA-N 1 0 293.455 2.372 20 10 CECDRO COc1cc(O)c(C[N@H+]2CCC[C@@H](OC)C2)cc1OC ZINC000160125639 261206179 /nfs/dbraw/zinc/20/61/79/261206179.db2.gz PSVCUJUWSIJMGK-GFCCVEGCSA-N 1 0 281.352 2.020 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)NC(C)C)c(O)c1 ZINC000181270199 261428985 /nfs/dbraw/zinc/42/89/85/261428985.db2.gz YZGGXOZHFBTXAW-GFCCVEGCSA-N 1 0 264.369 2.266 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@]2(O)CCSC2)c(O)c1 ZINC000176758333 261667440 /nfs/dbraw/zinc/66/74/40/261667440.db2.gz ZFAWXEVXOKLUIR-HNNXBMFYSA-N 1 0 297.420 2.139 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC000179915955 261825303 /nfs/dbraw/zinc/82/53/03/261825303.db2.gz KTVIXPMXFDBAOS-UHFFFAOYSA-N 1 0 288.391 2.191 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)CCn2cccn2)c1O ZINC000184693278 262026087 /nfs/dbraw/zinc/02/60/87/262026087.db2.gz OLPMWKZJTDTQEB-UHFFFAOYSA-N 1 0 295.770 2.383 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](O)C2)c1O ZINC000184672341 262026185 /nfs/dbraw/zinc/02/61/85/262026185.db2.gz IECNEQCDMDGQGS-LLVKDONJSA-N 1 0 271.744 2.011 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1O ZINC000184744390 262028069 /nfs/dbraw/zinc/02/80/69/262028069.db2.gz CKMBZUWKEFSKKA-ZJUUUORDSA-N 1 0 285.771 2.257 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186486605 262095675 /nfs/dbraw/zinc/09/56/75/262095675.db2.gz YJAOHTVUJQNAEA-UHFFFAOYSA-N 1 0 279.405 2.490 20 10 CECDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000186520289 262096581 /nfs/dbraw/zinc/09/65/81/262096581.db2.gz YTLTYINZTHCIDD-RVAOTSRCSA-N 1 0 265.353 2.379 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000122329027 262347620 /nfs/dbraw/zinc/34/76/20/262347620.db2.gz DVCJRSVYSXVPTC-DZGCQCFKSA-N 1 0 273.424 2.467 20 10 CECDRO CCCC[N@H+](CCS(C)(=O)=O)Cc1ccccc1O ZINC000282363240 263076159 /nfs/dbraw/zinc/07/61/59/263076159.db2.gz DKWTZMHYEBCOPG-UHFFFAOYSA-N 1 0 285.409 2.039 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292720582 263134136 /nfs/dbraw/zinc/13/41/36/263134136.db2.gz FRRIWLKMRPFLQU-QGZVFWFLSA-N 1 0 290.407 2.446 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000367434919 267089715 /nfs/dbraw/zinc/08/97/15/267089715.db2.gz ABNZQBZWZQHDST-UHFFFAOYSA-N 1 0 275.327 2.354 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCOCC[C@@H]2C)c1 ZINC000368131990 267146509 /nfs/dbraw/zinc/14/65/09/267146509.db2.gz OYHMFXZVEIKICM-NSHDSACASA-N 1 0 251.326 2.012 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC3(CCOC3=O)CC2)c1 ZINC000371334497 267392699 /nfs/dbraw/zinc/39/26/99/267392699.db2.gz YWCTXSUBXNCCFB-UHFFFAOYSA-N 1 0 275.348 2.230 20 10 CECDRO CC[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccccc1O ZINC000274953376 288036920 /nfs/dbraw/zinc/03/69/20/288036920.db2.gz VNHPMWKTBYBQPC-ZDUSSCGKSA-N 1 0 276.380 2.479 20 10 CECDRO CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(C)cc1O ZINC000527959925 313221059 /nfs/dbraw/zinc/22/10/59/313221059.db2.gz ZUBKGTSUPATPFG-CWRNSKLLSA-N 1 0 279.380 2.281 20 10 CECDRO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)CC(C)(C)O ZINC000092970689 327104009 /nfs/dbraw/zinc/10/40/09/327104009.db2.gz LGHJQISMNODLNH-UHFFFAOYSA-N 1 0 283.343 2.327 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000278555451 327175967 /nfs/dbraw/zinc/17/59/67/327175967.db2.gz OVWIJGXDULEESA-COPLHBTASA-N 1 0 265.353 2.476 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c1O ZINC000051991428 327548005 /nfs/dbraw/zinc/54/80/05/327548005.db2.gz PUKIAZBQGOQGEN-OLZOCXBDSA-N 1 0 265.353 2.184 20 10 CECDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(F)ccc1O ZINC000530216496 328716803 /nfs/dbraw/zinc/71/68/03/328716803.db2.gz PSJLDLAYCHXTTN-YGRLFVJLSA-N 1 0 264.344 2.467 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000377694309 329025155 /nfs/dbraw/zinc/02/51/55/329025155.db2.gz IJHDPEKOCJKZLP-QLFBSQMISA-N 1 0 288.391 2.396 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H]3CCN(C)[C@H]3C2)c1 ZINC000378474281 329051979 /nfs/dbraw/zinc/05/19/79/329051979.db2.gz MQWNLHDTQMKYOF-HIFRSBDPSA-N 1 0 260.381 2.227 20 10 CECDRO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000360021464 329070062 /nfs/dbraw/zinc/07/00/62/329070062.db2.gz WDYJCINZOBKMJU-CYBMUJFWSA-N 1 0 293.363 2.318 20 10 CECDRO CN(C)c1ccc(CN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000179727661 329208252 /nfs/dbraw/zinc/20/82/52/329208252.db2.gz MZFIAQVAHKDGPH-UHFFFAOYSA-N 1 0 273.424 2.423 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000179569046 329209787 /nfs/dbraw/zinc/20/97/87/329209787.db2.gz XDRRZTCFFRHVRG-INIZCTEOSA-N 1 0 290.407 2.079 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000180615946 329221229 /nfs/dbraw/zinc/22/12/29/329221229.db2.gz WUGRSGDGWMQKCO-OAHLLOKOSA-N 1 0 263.337 2.013 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1O ZINC000167858212 331308404 /nfs/dbraw/zinc/30/84/04/331308404.db2.gz GBQVITFSKDDJOC-KOLCDFICSA-N 1 0 297.782 2.451 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2csc(C)n2)c1 ZINC000224541102 333222300 /nfs/dbraw/zinc/22/23/00/333222300.db2.gz LJFADLYMOIIBNB-UHFFFAOYSA-N 1 0 278.377 2.498 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccccc1O ZINC000228089599 333294752 /nfs/dbraw/zinc/29/47/52/333294752.db2.gz LYKMPNWIGYGXEZ-JSGCOSHPSA-N 1 0 276.380 2.444 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1OC ZINC000529670091 333505105 /nfs/dbraw/zinc/50/51/05/333505105.db2.gz QZIPGNKCCZAXDU-INLINHOESA-N 1 0 295.379 2.311 20 10 CECDRO CCCCCNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000269661898 520190821 /nfs/dbraw/zinc/19/08/21/520190821.db2.gz UMXPCMQIGPKKPP-UHFFFAOYSA-N 1 0 264.369 2.130 20 10 CECDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)CCS1 ZINC000083630842 520475576 /nfs/dbraw/zinc/47/55/76/520475576.db2.gz NTTCWFMDQQIXAG-UHFFFAOYSA-N 1 0 281.377 2.448 20 10 CECDRO CCC[C@H]([NH3+])C(=O)N(CCC)Cc1ccccc1O ZINC000236795039 521105826 /nfs/dbraw/zinc/10/58/26/521105826.db2.gz QVZYPJQGSKAXKI-ZDUSSCGKSA-N 1 0 264.369 2.258 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](COC)[C@@H]2CCCO2)c1 ZINC000278778416 521154290 /nfs/dbraw/zinc/15/42/90/521154290.db2.gz YVZORQQMIOGKKA-ZBFHGGJFSA-N 1 0 295.379 2.075 20 10 CECDRO CCNC(=O)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000277444508 521733528 /nfs/dbraw/zinc/73/35/28/521733528.db2.gz OSKFWVIUTZVEFN-UHFFFAOYSA-N 1 0 288.391 2.018 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2cc(OC)ccc2O)o1 ZINC000271780178 522033387 /nfs/dbraw/zinc/03/33/87/522033387.db2.gz DLJUNHSJVYFUFE-UHFFFAOYSA-N 1 0 291.303 2.070 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@@H]1CCCO1 ZINC000278616635 522365338 /nfs/dbraw/zinc/36/53/38/522365338.db2.gz JHFJRBJULNNSFE-ZBFHGGJFSA-N 1 0 279.380 2.287 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccccc1O ZINC000274879185 522609078 /nfs/dbraw/zinc/60/90/78/522609078.db2.gz HFQFIHIGFJERBE-GOEBONIOSA-N 1 0 279.380 2.220 20 10 CECDRO COc1cc(O)c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1OC ZINC000275961389 522773612 /nfs/dbraw/zinc/77/36/12/522773612.db2.gz KEMUMASIGIWIML-JOCQHMNTSA-N 1 0 295.379 2.145 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1OC ZINC000160390375 522778075 /nfs/dbraw/zinc/77/80/75/522778075.db2.gz RBVIEGTZCSCYMY-MRXNPFEDSA-N 1 0 293.363 2.022 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCN(CCOC)C1)c1ccc(C)cc1O ZINC000279973784 522927333 /nfs/dbraw/zinc/92/73/33/522927333.db2.gz DDTHQZBRRHJPMY-GDBMZVCRSA-N 1 0 292.423 2.462 20 10 CECDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113339280 523671565 /nfs/dbraw/zinc/67/15/65/523671565.db2.gz QUKBEVHOQZYOLW-CQSZACIVSA-N 1 0 254.349 2.142 20 10 CECDRO CNC(=O)CC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000074723633 524055975 /nfs/dbraw/zinc/05/59/75/524055975.db2.gz SHXVFLFQHWJMLX-UHFFFAOYSA-N 1 0 290.407 2.357 20 10 CECDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293193807 524082049 /nfs/dbraw/zinc/08/20/49/524082049.db2.gz TZTWQSHEBYZRGT-OAHLLOKOSA-N 1 0 289.423 2.019 20 10 CECDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000049095646 524099393 /nfs/dbraw/zinc/09/93/93/524099393.db2.gz XASOSKGQVRXRFS-QWRGUYRKSA-N 1 0 272.348 2.331 20 10 CECDRO Cc1cccc(C[NH+]2CC(O)(c3ccccc3)C2)c1O ZINC000290992865 524386071 /nfs/dbraw/zinc/38/60/71/524386071.db2.gz ABZVSGGWLCHAPF-UHFFFAOYSA-N 1 0 269.344 2.404 20 10 CECDRO COc1ccc(N2CCC([NH2+]CCC[C@@H](C)O)CC2)cc1 ZINC000366012247 524404123 /nfs/dbraw/zinc/40/41/23/524404123.db2.gz TWCVRTTWJLHKQO-CQSZACIVSA-N 1 0 292.423 2.415 20 10 CECDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2O)c(=O)n1C ZINC000279442254 524605019 /nfs/dbraw/zinc/60/50/19/524605019.db2.gz HOCHFEWXWXBZDA-GFCCVEGCSA-N 1 0 272.348 2.250 20 10 CECDRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617558 524790934 /nfs/dbraw/zinc/79/09/34/524790934.db2.gz GNYIBNMUYZJYDL-MNOVXSKESA-N 1 0 263.316 2.467 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)c1 ZINC000277395166 525343935 /nfs/dbraw/zinc/34/39/35/525343935.db2.gz GPEBYGUWFZVGNC-XIKOKIGWSA-N 1 0 267.394 2.044 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000280417846 525346579 /nfs/dbraw/zinc/34/65/79/525346579.db2.gz IIWSJRGJRJBASK-CQSZACIVSA-N 1 0 291.391 2.471 20 10 CECDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccccc1O)C[C@@H](C)O2 ZINC000280570362 525586582 /nfs/dbraw/zinc/58/65/82/525586582.db2.gz VSUIHONQSOKDCM-DVOMOZLQSA-N 1 0 277.364 2.161 20 10 CECDRO Cc1nnsc1C[NH2+]Cc1c(O)cccc1Cl ZINC000291724076 526446649 /nfs/dbraw/zinc/44/66/49/526446649.db2.gz MYJZYSVLQGWDOC-UHFFFAOYSA-N 1 0 269.757 2.495 20 10 CECDRO OC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CCC1(F)F ZINC000291272368 527619112 /nfs/dbraw/zinc/61/91/12/527619112.db2.gz NWZDAGSNKHUFKO-SECBINFHSA-N 1 0 291.725 2.495 20 10 CECDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cccc(OC)c1O ZINC000748241577 574437903 /nfs/dbraw/zinc/43/79/03/574437903.db2.gz AEZDPDAZQUNSOC-OAHLLOKOSA-N 1 0 281.352 2.222 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC000748561574 574439493 /nfs/dbraw/zinc/43/94/93/574439493.db2.gz DSLGPIGYFNWGDQ-INIZCTEOSA-N 1 0 289.423 2.243 20 10 CECDRO O=C(C1=CC(=O)CS1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000732290549 574618317 /nfs/dbraw/zinc/61/83/17/574618317.db2.gz ZFBODDGHGSNNNE-LLVKDONJSA-N 1 0 280.393 2.154 20 10 CECDRO C[C@@H](CNC(=O)C1=CC(=O)CS1)[N@@H+]1CCCC[C@@H]1C ZINC000732271202 574616801 /nfs/dbraw/zinc/61/68/01/574616801.db2.gz QRFLTHLODUJGOC-QWRGUYRKSA-N 1 0 282.409 2.446 20 10 CECDRO C[C@@H](CNC(=O)C1=CC(=O)CS1)[N@@H+]1CCCC[C@H]1C ZINC000732271201 574616976 /nfs/dbraw/zinc/61/69/76/574616976.db2.gz QRFLTHLODUJGOC-MNOVXSKESA-N 1 0 282.409 2.446 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@](C)(O)C2CC2)c1 ZINC000732669671 574625592 /nfs/dbraw/zinc/62/55/92/574625592.db2.gz RASFFVZTKOORHF-HNNXBMFYSA-N 1 0 265.353 2.042 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@]2(C)CCOC2)cc1F ZINC000733328537 574664298 /nfs/dbraw/zinc/66/42/98/574664298.db2.gz ZVOCGZOZSILDFD-OAHLLOKOSA-N 1 0 266.360 2.408 20 10 CECDRO CCC[N@H+](C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743719287 575109134 /nfs/dbraw/zinc/10/91/34/575109134.db2.gz VSZZNQCEVPGCJY-UHFFFAOYSA-N 1 0 290.407 2.229 20 10 CECDRO CCOc1ccc(C[NH2+]CC2(OC)CCOCC2)c(O)c1 ZINC000746754472 575163587 /nfs/dbraw/zinc/16/35/87/575163587.db2.gz KQZFYJSGZCIALP-UHFFFAOYSA-N 1 0 295.379 2.076 20 10 CECDRO COc1cc(O)c(C[NH+]2CCC([C@@H](C)O)CC2)cc1OC ZINC000160246477 622667026 /nfs/dbraw/zinc/66/70/26/622667026.db2.gz WINVAGHNNZZROS-LLVKDONJSA-N 1 0 295.379 2.002 20 10 CECDRO CCOC[C@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000044688764 623239593 /nfs/dbraw/zinc/23/95/93/623239593.db2.gz ANJFLYCRPJCEQJ-NSHDSACASA-N 1 0 253.342 2.306 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)C)c1O ZINC000846145151 623354798 /nfs/dbraw/zinc/35/47/98/623354798.db2.gz LTAKUNWAHBWLDQ-WDEREUQCSA-N 1 0 252.358 2.002 20 10 CECDRO C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000053201289 623366618 /nfs/dbraw/zinc/36/66/18/623366618.db2.gz JQYDFMVFBNCICX-GFCCVEGCSA-N 1 0 254.761 2.229 20 10 CECDRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000179873570 625671006 /nfs/dbraw/zinc/67/10/06/625671006.db2.gz JRLLXVLDAGLQHK-OLZOCXBDSA-N 1 0 267.369 2.076 20 10 CECDRO C[C@@H](NC(=O)NCCC(C)(C)[NH3+])c1ccc(N(C)C)cc1 ZINC000891812910 623988501 /nfs/dbraw/zinc/98/85/01/623988501.db2.gz GTHWKXMSWJHORU-GFCCVEGCSA-N 1 0 292.427 2.240 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c(O)c1OC ZINC000892064892 624288281 /nfs/dbraw/zinc/28/82/81/624288281.db2.gz GADYYOKTUVVTOB-AAEUAGOBSA-N 1 0 295.379 2.145 20 10 CECDRO COc1cc(Br)cc(C[NH2+]CCF)c1O ZINC000309072571 624495962 /nfs/dbraw/zinc/49/59/62/624495962.db2.gz GCUAGLGULAHVIU-UHFFFAOYSA-N 1 0 278.121 2.222 20 10 CECDRO CCOC(=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000045687956 624502526 /nfs/dbraw/zinc/50/25/26/624502526.db2.gz PPTUCAKGDAHMKD-GFCCVEGCSA-N 1 0 264.369 2.356 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CCCC[C@H]2OC)cc1OC ZINC000278785094 625250479 /nfs/dbraw/zinc/25/04/79/625250479.db2.gz VJKNMZNRFFLATJ-TZMCWYRMSA-N 1 0 295.379 2.457 20 10 CECDRO CCCCOCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892733807 627734886 /nfs/dbraw/zinc/73/48/86/627734886.db2.gz SPUAPOUPMGZDFB-UHFFFAOYSA-N 1 0 283.368 2.316 20 10 CECDRO COc1ccc(C[NH2+]CC2(SC)CC2)c(O)c1 ZINC000193653673 628483225 /nfs/dbraw/zinc/48/32/25/628483225.db2.gz NGJMTPDJMNQKKA-UHFFFAOYSA-N 1 0 253.367 2.386 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000092954121 628561958 /nfs/dbraw/zinc/56/19/58/628561958.db2.gz BKFQCUQWGSKQFQ-XJKSGUPXSA-N 1 0 289.423 2.099 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COCC2(C)C)c1 ZINC000313060180 628577928 /nfs/dbraw/zinc/57/79/28/628577928.db2.gz MPTPGPNEHSVKHM-IINYFYTJSA-N 1 0 265.353 2.476 20 10 CECDRO COc1ccc(C[N@H+](C)Cc2ccncc2)c(O)c1OC ZINC000893538874 628693248 /nfs/dbraw/zinc/69/32/48/628693248.db2.gz AUMMDVFIKNHBIY-UHFFFAOYSA-N 1 0 288.347 2.436 20 10 CECDRO COc1ccc(C[NH2+]C[C@H](CO)C(C)C)cc1C ZINC000258956639 628785880 /nfs/dbraw/zinc/78/58/80/628785880.db2.gz JYQXXJBECFUFKA-CQSZACIVSA-N 1 0 251.370 2.358 20 10 CECDRO CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1O ZINC000925786253 628825257 /nfs/dbraw/zinc/82/52/57/628825257.db2.gz SXPZAYZLISPYCH-OASPWFOLSA-N 1 0 252.333 2.180 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCSC[C@H]2CCO)c1O ZINC000894089920 629119630 /nfs/dbraw/zinc/11/96/30/629119630.db2.gz XZDJDRJOQKHKJF-CYBMUJFWSA-N 1 0 297.420 2.009 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](C)Cn2cccn2)c1O ZINC000894173814 629188972 /nfs/dbraw/zinc/18/89/72/629188972.db2.gz REXUJGKSTDLRPQ-GFCCVEGCSA-N 1 0 275.352 2.084 20 10 CECDRO COC[C@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(C)C ZINC000894268448 629285915 /nfs/dbraw/zinc/28/59/15/629285915.db2.gz DYQGJEMEYSAMKX-ZDUSSCGKSA-N 1 0 267.369 2.470 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(C)cc1O ZINC000794810574 629325865 /nfs/dbraw/zinc/32/58/65/629325865.db2.gz LWONYQYUTMRRJN-CMPLNLGQSA-N 1 0 250.342 2.005 20 10 CECDRO CC[C@@](C)(CCO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894334037 629363874 /nfs/dbraw/zinc/36/38/74/629363874.db2.gz VWCDTCXGYVWKMM-HNNXBMFYSA-N 1 0 267.369 2.350 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](CO)C(C)(C)C)c1O ZINC000894453440 629470638 /nfs/dbraw/zinc/47/06/38/629470638.db2.gz UYHPYUJJQCCLLE-CYBMUJFWSA-N 1 0 267.369 2.206 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)CCCCCO)c1O ZINC000894593681 629553235 /nfs/dbraw/zinc/55/32/35/629553235.db2.gz XDELBAGHDVFBNS-UHFFFAOYSA-N 1 0 267.369 2.304 20 10 CECDRO CC[C@](C)(C[NH2+]Cc1ccc(OC)c(OC)c1O)OC ZINC000894713198 629599487 /nfs/dbraw/zinc/59/94/87/629599487.db2.gz XQLWUXHONCDJTE-OAHLLOKOSA-N 1 0 283.368 2.314 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCOC[C@H]2C)c1O ZINC000894749792 629621028 /nfs/dbraw/zinc/62/10/28/629621028.db2.gz KSYHIDOOIWRDDC-CHWSQXEVSA-N 1 0 279.380 2.471 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)[C@@H](OC)C2CC2)c(O)c1OC ZINC000894755450 629622354 /nfs/dbraw/zinc/62/23/54/629622354.db2.gz QVDUTJUORPTRKY-MEBBXXQBSA-N 1 0 295.379 2.313 20 10 CECDRO COc1cc(C[N@@H+](C)[C@@H]2CC[C@H]2OC)c(O)cc1C ZINC000902636411 634756063 /nfs/dbraw/zinc/75/60/63/634756063.db2.gz DWYFAZODKSQTSV-TZMCWYRMSA-N 1 0 265.353 2.318 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](C)CC(C)(C)O)c1O ZINC000894885734 629723076 /nfs/dbraw/zinc/72/30/76/629723076.db2.gz HUIZWEPBEODALO-LLVKDONJSA-N 1 0 267.369 2.348 20 10 CECDRO CCC1(C[NH2+]Cc2cc(C)cc(OC)c2O)COC1 ZINC000894917630 629752678 /nfs/dbraw/zinc/75/26/78/629752678.db2.gz OOXNTLHNPXAGKU-UHFFFAOYSA-N 1 0 265.353 2.225 20 10 CECDRO COc1ccc(C[NH2+]CCCC2(O)CCC2)c(O)c1OC ZINC000894976917 629777714 /nfs/dbraw/zinc/77/77/14/629777714.db2.gz WYVVKYIYGZLSCQ-UHFFFAOYSA-N 1 0 295.379 2.194 20 10 CECDRO Cc1nnc([C@@H]2CC[N@H+](Cc3cccc(C)c3O)C2)[nH]1 ZINC000895008278 629800626 /nfs/dbraw/zinc/80/06/26/629800626.db2.gz UVIZERBQCNFEOW-CYBMUJFWSA-N 1 0 272.352 2.117 20 10 CECDRO COc1cc(O)c(C[N@H+](C)C[C@H]2CCCO2)cc1OC ZINC000160227858 629925155 /nfs/dbraw/zinc/92/51/55/629925155.db2.gz LIJATGOGMGORKZ-GFCCVEGCSA-N 1 0 281.352 2.020 20 10 CECDRO Cc1cnnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000895144982 629957265 /nfs/dbraw/zinc/95/72/65/629957265.db2.gz QKSLXTHYTIISDJ-UHFFFAOYSA-N 1 0 297.406 2.149 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2COC(C)(C)C2)c1O ZINC000895225869 630045141 /nfs/dbraw/zinc/04/51/41/630045141.db2.gz KTRKYJKQNUIGMQ-GFCCVEGCSA-N 1 0 265.353 2.366 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000895459735 630202055 /nfs/dbraw/zinc/20/20/55/630202055.db2.gz HNBOMDFUJUJMDN-UTUOFQBUSA-N 1 0 263.337 2.385 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(N(C)C)CC2)cc1 ZINC000841890607 630212085 /nfs/dbraw/zinc/21/20/85/630212085.db2.gz PSIXNZLEHQYNKE-AATRIKPKSA-N 1 0 273.424 2.450 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000895844965 630367518 /nfs/dbraw/zinc/36/75/18/630367518.db2.gz GGPKRYXAEGYLJA-BLLLJJGKSA-N 1 0 277.364 2.402 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000895844967 630368726 /nfs/dbraw/zinc/36/87/26/630368726.db2.gz GGPKRYXAEGYLJA-MLGOLLRUSA-N 1 0 277.364 2.402 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@@H](OC)CC[C@H]2C)cc1OC ZINC000895928770 630407803 /nfs/dbraw/zinc/40/78/03/630407803.db2.gz UZIRJXWAZLVCEM-YPMHNXCESA-N 1 0 295.379 2.409 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CC(C)(C)CO2)c(O)c1OC ZINC000895930171 630408931 /nfs/dbraw/zinc/40/89/31/630408931.db2.gz FYPIZNMDIGROHE-LBPRGKRZSA-N 1 0 295.379 2.314 20 10 CECDRO COCC1C[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000895969511 630422647 /nfs/dbraw/zinc/42/26/47/630422647.db2.gz DXXPDRSBCYPOQQ-SNAWJCMRSA-N 1 0 260.381 2.344 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896380156 630553338 /nfs/dbraw/zinc/55/33/38/630553338.db2.gz HHJASCOFHGPRMU-HNNXBMFYSA-N 1 0 290.407 2.256 20 10 CECDRO Cc1ccc(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c(O)c1 ZINC000896667327 630632664 /nfs/dbraw/zinc/63/26/64/630632664.db2.gz JMCQUXZTIOUEKS-INIZCTEOSA-N 1 0 279.380 2.374 20 10 CECDRO CCO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C)CN(C)C ZINC000896880231 630699495 /nfs/dbraw/zinc/69/94/95/630699495.db2.gz RJUGRIXOKDDNJH-KRWDZBQOSA-N 1 0 293.455 2.117 20 10 CECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000896962328 630846356 /nfs/dbraw/zinc/84/63/56/630846356.db2.gz LQSOHYHMFUUUSN-GFCCVEGCSA-N 1 0 263.337 2.086 20 10 CECDRO CC(C)OC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000800224817 631099224 /nfs/dbraw/zinc/09/92/24/631099224.db2.gz OZXFHLDTWOXFCO-HNNXBMFYSA-N 1 0 292.423 2.426 20 10 CECDRO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093418093 631306517 /nfs/dbraw/zinc/30/65/17/631306517.db2.gz YSJKWDJUNDSTDW-CABCVRRESA-N 1 0 290.407 2.132 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CCN(C)C)c2c1c(F)ccc2O ZINC000806171461 631724540 /nfs/dbraw/zinc/72/45/40/631724540.db2.gz JMXXIMDYWSHNHI-KOLCDFICSA-N 1 0 252.333 2.231 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccnn3C)C2)c(O)c1 ZINC000897566960 631787913 /nfs/dbraw/zinc/78/79/13/631787913.db2.gz BBDPSMXBVJNRHX-INIZCTEOSA-N 1 0 287.363 2.008 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCCOC2)c1 ZINC000809692968 632129380 /nfs/dbraw/zinc/12/93/80/632129380.db2.gz KUTFICZWSGQMCP-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]Cc1cnc2n1CCOC2 ZINC000898269942 632138844 /nfs/dbraw/zinc/13/88/44/632138844.db2.gz DHMLMNXPANLMGZ-UHFFFAOYSA-N 1 0 293.754 2.062 20 10 CECDRO CN(C)c1ccc(/C=C\CN[C@H]2CCC[NH2+]C2)cc1 ZINC000841043030 632330610 /nfs/dbraw/zinc/33/06/10/632330610.db2.gz MWHMHIRLUXVNDS-QTLSWZBMSA-N 1 0 259.397 2.107 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c1O ZINC000898393745 632479963 /nfs/dbraw/zinc/47/99/63/632479963.db2.gz UBKLZRFQUIJSEC-RHSMWYFYSA-N 1 0 285.343 2.149 20 10 CECDRO CCOC[C@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450371 632498752 /nfs/dbraw/zinc/49/87/52/632498752.db2.gz QMRPDDLFGSVJRP-YOEHRIQHSA-N 1 0 293.455 2.370 20 10 CECDRO COC[C@@H](C)C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449604 632499212 /nfs/dbraw/zinc/49/92/12/632499212.db2.gz HXUACONHGRGGQR-WMLDXEAASA-N 1 0 293.455 2.227 20 10 CECDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCOC1 ZINC000812294753 632503902 /nfs/dbraw/zinc/50/39/02/632503902.db2.gz BCCMULVJXZXNAC-LBPRGKRZSA-N 1 0 281.352 2.020 20 10 CECDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCOC1 ZINC000812294750 632504182 /nfs/dbraw/zinc/50/41/82/632504182.db2.gz BCCMULVJXZXNAC-GFCCVEGCSA-N 1 0 281.352 2.020 20 10 CECDRO C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](CO)C2)c2c1c(F)ccc2O ZINC000927147015 632594660 /nfs/dbraw/zinc/59/46/60/632594660.db2.gz IKSAVTGBIUBVEL-GMOBBJLQSA-N 1 0 265.328 2.440 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000813333331 632671642 /nfs/dbraw/zinc/67/16/42/632671642.db2.gz LOHHWWVCKCEWDX-CQSZACIVSA-N 1 0 269.316 2.164 20 10 CECDRO C[C@@H](NC(=[NH2+])NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000899264631 632761992 /nfs/dbraw/zinc/76/19/92/632761992.db2.gz IUSDJCPFISXVBR-SNVBAGLBSA-N 1 0 278.375 2.304 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@](C)(O)C(F)F ZINC000905123399 635827214 /nfs/dbraw/zinc/82/72/14/635827214.db2.gz XLTILLVXUDLBDH-AWEZNQCLSA-N 1 0 272.339 2.167 20 10 CECDRO Cc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1N(C)C ZINC000815037330 632951158 /nfs/dbraw/zinc/95/11/58/632951158.db2.gz IAHLZBTUZUFCLK-DZGCQCFKSA-N 1 0 289.423 2.147 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@](C)(C(=O)NC)C2)cc1 ZINC000815105089 632960752 /nfs/dbraw/zinc/96/07/52/632960752.db2.gz CEGALKUYKPUOSH-QGZVFWFLSA-N 1 0 289.423 2.101 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@H]3CN(C)C[C@@H]32)ccc1N(C)C ZINC000815120930 632963121 /nfs/dbraw/zinc/96/31/21/632963121.db2.gz PRXBQMLBVUJUKY-RDJZCZTQSA-N 1 0 273.424 2.197 20 10 CECDRO CCOc1ccc(C[NH2+]CCc2nccnc2C)c(O)c1 ZINC000815153882 632973497 /nfs/dbraw/zinc/97/34/97/632973497.db2.gz GFTFRKWEGLHEDB-UHFFFAOYSA-N 1 0 287.363 2.222 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816561269 633412845 /nfs/dbraw/zinc/41/28/45/633412845.db2.gz QUUOBANLUKRNRW-NSHDSACASA-N 1 0 272.348 2.160 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H](CO)O1 ZINC000816588172 633417601 /nfs/dbraw/zinc/41/76/01/633417601.db2.gz HTUWQVKTPFTUND-SWLSCSKDSA-N 1 0 287.359 2.127 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](CCO)CC2)c1 ZINC000817419914 633656731 /nfs/dbraw/zinc/65/67/31/633656731.db2.gz ZNANWCDAOBFLGB-ZDUSSCGKSA-N 1 0 279.380 2.385 20 10 CECDRO CCCN1C[C@H](C[NH2+][C@H](C)c2cc(F)ccc2O)CC1=O ZINC000817589638 633703033 /nfs/dbraw/zinc/70/30/33/633703033.db2.gz OVQUBXKZLLCWAB-NEPJUHHUSA-N 1 0 294.370 2.440 20 10 CECDRO C[C@@H]([NH2+]C1CC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817937570 633787729 /nfs/dbraw/zinc/78/77/29/633787729.db2.gz XUVORNXIDFCMJQ-MRVPVSSYSA-N 1 0 256.296 2.073 20 10 CECDRO COC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C(C)C ZINC000817939517 633788934 /nfs/dbraw/zinc/78/89/34/633788934.db2.gz CAGXBVGVFQIDDP-CVEARBPZSA-N 1 0 279.428 2.013 20 10 CECDRO C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817942167 633790063 /nfs/dbraw/zinc/79/00/63/633790063.db2.gz XMPJMWMKSLIYNG-SCVCMEIPSA-N 1 0 264.344 2.421 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)[C@@H]1C ZINC000817943281 633791350 /nfs/dbraw/zinc/79/13/50/633791350.db2.gz TYDOUMUGTXORHW-MPTQWLOMSA-N 1 0 261.413 2.387 20 10 CECDRO CC[C@H](NCC[NH2+]C)c1cc(Br)ccc1O ZINC000817953217 633797805 /nfs/dbraw/zinc/79/78/05/633797805.db2.gz XJIRSVBWDKXDIZ-NSHDSACASA-N 1 0 287.201 2.415 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CN1C1CC1 ZINC000817955935 633799714 /nfs/dbraw/zinc/79/97/14/633799714.db2.gz LTIUMFAXFLNWCA-SWLSCSKDSA-N 1 0 259.397 2.026 20 10 CECDRO Cc1cc([C@H](C)[NH2+]CCc2ccc(N)cc2)nn1C ZINC000817957322 633800025 /nfs/dbraw/zinc/80/00/25/633800025.db2.gz KVNSCLUGASWDJN-LBPRGKRZSA-N 1 0 258.369 2.204 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CN)CC(C)C)c1 ZINC000817959147 633801273 /nfs/dbraw/zinc/80/12/73/633801273.db2.gz PTWPTJPZAROCHO-NWDGAFQWSA-N 1 0 266.385 2.425 20 10 CECDRO CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(F)cc1[O-] ZINC000817964774 633806405 /nfs/dbraw/zinc/80/64/05/633806405.db2.gz IFEHIAOLLPUVJF-LBPRGKRZSA-N 1 0 252.333 2.453 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817969898 633812384 /nfs/dbraw/zinc/81/23/84/633812384.db2.gz HWOLFWQFFVUMIG-AXFHLTTASA-N 1 0 279.340 2.221 20 10 CECDRO COc1ccc(O)c([C@H](C)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000817984127 633826537 /nfs/dbraw/zinc/82/65/37/633826537.db2.gz NQIRRRJKZGPKPT-NWDGAFQWSA-N 1 0 264.369 2.194 20 10 CECDRO C[C@@H](N[C@H]1CCCC[NH2+]C1)c1cc(F)ccc1O ZINC000817984443 633827088 /nfs/dbraw/zinc/82/70/88/633827088.db2.gz SUUMWGRKAXASEY-PWSUYJOCSA-N 1 0 252.333 2.324 20 10 CECDRO Cc1cc(C(=O)N(C)CC[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000818010489 633834088 /nfs/dbraw/zinc/83/40/88/633834088.db2.gz MYFBOXFLQMCHGO-UHFFFAOYSA-N 1 0 289.354 2.264 20 10 CECDRO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000822081373 634846463 /nfs/dbraw/zinc/84/64/63/634846463.db2.gz DKJZNVIMIQMVEK-CYBMUJFWSA-N 1 0 289.423 2.272 20 10 CECDRO Oc1cccc(Cl)c1CN[C@H]1C[NH2+]CCC1(F)F ZINC000841075812 635031463 /nfs/dbraw/zinc/03/14/63/635031463.db2.gz XQJMQDAZAHLREM-NSHDSACASA-N 1 0 276.714 2.132 20 10 CECDRO COc1nn(C)cc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000903337693 635067830 /nfs/dbraw/zinc/06/78/30/635067830.db2.gz LNYSCTMOCMUUIE-NSHDSACASA-N 1 0 275.352 2.294 20 10 CECDRO CN(C)c1ccc(/C=C/CN2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000903985878 635404665 /nfs/dbraw/zinc/40/46/65/635404665.db2.gz BTFZORVYCWTCRT-JFDDCEBESA-N 1 0 273.424 2.435 20 10 CECDRO COC[C@](C)(O)CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000824559433 635450338 /nfs/dbraw/zinc/45/03/38/635450338.db2.gz UFBDDVUZOOWGLP-CQSZACIVSA-N 1 0 287.787 2.231 20 10 CECDRO COC[C@]1(C)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000824577045 635454974 /nfs/dbraw/zinc/45/49/74/635454974.db2.gz YTQJFKSBUCLGJA-OAHLLOKOSA-N 1 0 265.353 2.259 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](CO)[C@H]2CC)c1O ZINC000824637510 635468586 /nfs/dbraw/zinc/46/85/86/635468586.db2.gz XOCVIVVDBKNGJZ-ZIAGYGMSSA-N 1 0 279.380 2.384 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCOC[C@H]2OC)cc1C ZINC000824708358 635482181 /nfs/dbraw/zinc/48/21/81/635482181.db2.gz FNBFCSKWEKKRQW-GOEBONIOSA-N 1 0 279.380 2.145 20 10 CECDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000824708394 635482369 /nfs/dbraw/zinc/48/23/69/635482369.db2.gz GCLBFIPHHSRGFR-HZMBPMFUSA-N 1 0 285.771 2.187 20 10 CECDRO Cc1cc(O)c(C[NH2+]C2(CCO)CCOCC2)cc1Cl ZINC000825037454 635545239 /nfs/dbraw/zinc/54/52/39/635545239.db2.gz CDBMEMWVIDFWAB-UHFFFAOYSA-N 1 0 299.798 2.375 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)Cc2cnn(C)c2)c1 ZINC000825046498 635548906 /nfs/dbraw/zinc/54/89/06/635548906.db2.gz UWNSJOINJXMMIT-LBPRGKRZSA-N 1 0 289.379 2.245 20 10 CECDRO OCC[N@H+](Cc1cc(F)ccc1O)C1CCSCC1 ZINC000825133605 635576519 /nfs/dbraw/zinc/57/65/19/635576519.db2.gz JNKIPHGLDTUHCB-UHFFFAOYSA-N 1 0 285.384 2.221 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000825331304 635618298 /nfs/dbraw/zinc/61/82/98/635618298.db2.gz CPBFUDTVCDDDSR-OLZOCXBDSA-N 1 0 277.364 2.258 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000904411638 635619363 /nfs/dbraw/zinc/61/93/63/635619363.db2.gz ONWKCBXXRSDYTD-MNOVXSKESA-N 1 0 298.814 2.471 20 10 CECDRO CNC(=O)[C@@H]([NH2+]Cc1cc(Cl)c(C)cc1O)C(C)C ZINC000825371401 635626909 /nfs/dbraw/zinc/62/69/09/635626909.db2.gz WUOLLGUOSNXVOA-ZDUSSCGKSA-N 1 0 284.787 2.214 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)c1O ZINC000904461133 635644408 /nfs/dbraw/zinc/64/44/08/635644408.db2.gz DQORHWVJEIADQW-HZPDHXFCSA-N 1 0 268.360 2.415 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@H](O)C[C@H]2C)cc1Cl ZINC000825666087 635689712 /nfs/dbraw/zinc/68/97/12/635689712.db2.gz GWCKXIWNWMVLBU-MWLCHTKSSA-N 1 0 255.745 2.309 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000825973931 635740244 /nfs/dbraw/zinc/74/02/44/635740244.db2.gz TUVLFSZMPNLRNX-WBVHZDCISA-N 1 0 289.423 2.276 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000827165395 636243217 /nfs/dbraw/zinc/24/32/17/636243217.db2.gz YBMOOEAUAXSLLK-FZMZJTMJSA-N 1 0 297.420 2.010 20 10 CECDRO CC[N@H+](CC(=O)N[C@H](C)c1ccccc1O)C1CC1 ZINC000827941648 636465399 /nfs/dbraw/zinc/46/53/99/636465399.db2.gz URVUTPCALKDKST-LLVKDONJSA-N 1 0 262.353 2.054 20 10 CECDRO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)nc1)c1ccccc1O ZINC000827947013 636467047 /nfs/dbraw/zinc/46/70/47/636467047.db2.gz YDYPPAIRRUNPPY-GFCCVEGCSA-N 1 0 299.374 2.340 20 10 CECDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000831202542 637253706 /nfs/dbraw/zinc/25/37/06/637253706.db2.gz IINUZQORUVJPHZ-STQMWFEESA-N 1 0 292.427 2.020 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CN)C2CCCC2)c1 ZINC000841085628 637368051 /nfs/dbraw/zinc/36/80/51/637368051.db2.gz AACMKWOTOASZAK-OAHLLOKOSA-N 1 0 278.396 2.398 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCS2)c1 ZINC000149695402 637507411 /nfs/dbraw/zinc/50/74/11/637507411.db2.gz MGVZRQBGMGHHFC-LBPRGKRZSA-N 1 0 253.367 2.386 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC(C)(C)C)cc1 ZINC000832293620 637535366 /nfs/dbraw/zinc/53/53/66/637535366.db2.gz YYSLNOZMSVHUIW-CQSZACIVSA-N 1 0 277.412 2.305 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(C)cc1O ZINC000876632850 650368182 /nfs/dbraw/zinc/36/81/82/650368182.db2.gz YHWJSORCRDHERP-UHFFFAOYSA-N 1 0 264.369 2.001 20 10 CECDRO OC[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccco1 ZINC000834624026 637893916 /nfs/dbraw/zinc/89/39/16/637893916.db2.gz DWWBYTNRJDTDNB-IUODEOHRSA-N 1 0 287.359 2.413 20 10 CECDRO CN(C)c1nccc(C[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000834702704 637923314 /nfs/dbraw/zinc/92/33/14/637923314.db2.gz STSXEVJOEPHPFN-ZDUSSCGKSA-N 1 0 284.363 2.025 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(=O)NC ZINC000834911175 637985940 /nfs/dbraw/zinc/98/59/40/637985940.db2.gz HKYARGYONTXMQS-IAQYHMDHSA-N 1 0 290.407 2.446 20 10 CECDRO O=C1[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C[C@H]2CCCCN12 ZINC000834911860 637986427 /nfs/dbraw/zinc/98/64/27/637986427.db2.gz BGJONJJSLUWRLF-HZSPNIEDSA-N 1 0 286.375 2.123 20 10 CECDRO CO[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835028509 638030724 /nfs/dbraw/zinc/03/07/24/638030724.db2.gz KVDDAKLRBVPNML-YIEVGGLXSA-N 1 0 260.381 2.487 20 10 CECDRO CO[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835028508 638031151 /nfs/dbraw/zinc/03/11/51/638031151.db2.gz KVDDAKLRBVPNML-DWTRPJMMSA-N 1 0 260.381 2.487 20 10 CECDRO COCCOC[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835044357 638034789 /nfs/dbraw/zinc/03/47/89/638034789.db2.gz ZAORBXXMJHTUFR-LLYBFZRZSA-N 1 0 292.423 2.407 20 10 CECDRO C[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)[C@H]1CO ZINC000835046026 638035798 /nfs/dbraw/zinc/03/57/98/638035798.db2.gz QIBGPDRSTPWOIH-DSLFPGPSSA-N 1 0 274.408 2.469 20 10 CECDRO C[C@@H]1C[C@H](O)C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835054038 638040998 /nfs/dbraw/zinc/04/09/98/638040998.db2.gz GVSMSNYHIYLSNI-ROHVMALMSA-N 1 0 274.408 2.469 20 10 CECDRO C[C@@H](CN(C)C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835053633 638041084 /nfs/dbraw/zinc/04/10/84/638041084.db2.gz OQWWEAXUBGCWQJ-AFNCTOJWSA-N 1 0 261.413 2.306 20 10 CECDRO COCC(COC)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055688 638042549 /nfs/dbraw/zinc/04/25/49/638042549.db2.gz XOFHUQFKIKXBNO-WAYWQWQTSA-N 1 0 278.396 2.017 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000876690184 650401624 /nfs/dbraw/zinc/40/16/24/650401624.db2.gz GVAKDQDOWXXTOL-UHFFFAOYSA-N 1 0 288.391 2.287 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000876805659 650440452 /nfs/dbraw/zinc/44/04/52/650440452.db2.gz DSHRYPBTZZAKPL-JKSUJKDBSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(O)c1 ZINC000876817883 650444977 /nfs/dbraw/zinc/44/49/77/650444977.db2.gz OHKSANDOZZQWKN-LSDHHAIUSA-N 1 0 288.391 2.191 20 10 CECDRO CC(C)CC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000876873237 650467455 /nfs/dbraw/zinc/46/74/55/650467455.db2.gz ZKLYLDWEJOCPPB-INIZCTEOSA-N 1 0 291.439 2.475 20 10 CECDRO COc1ccc(C[NH2+]Cc2c(C)cccc2O)cn1 ZINC000876919479 650487146 /nfs/dbraw/zinc/48/71/46/650487146.db2.gz VCICNXDBTAOTLP-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCCCn2ccnc2)c1 ZINC000045105661 639390963 /nfs/dbraw/zinc/39/09/63/639390963.db2.gz WWBVQFHGCUGLLZ-UHFFFAOYSA-N 1 0 275.352 2.167 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(CCO)CC2)c1 ZINC000157485039 639492797 /nfs/dbraw/zinc/49/27/97/639492797.db2.gz KUGKXOMHGXTLPY-NSHDSACASA-N 1 0 265.353 2.214 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCOC2)c(Cl)c1 ZINC000840876977 639569271 /nfs/dbraw/zinc/56/92/71/639569271.db2.gz VOFICWMARNLHNX-JTQLQIEISA-N 1 0 255.745 2.480 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H](C)CCO ZINC000840894095 639574818 /nfs/dbraw/zinc/57/48/18/639574818.db2.gz PBLFFNIXLSUARV-KGLIPLIRSA-N 1 0 264.413 2.353 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000840910967 639583035 /nfs/dbraw/zinc/58/30/35/639583035.db2.gz YOYOQJGWPHMPML-UHFFFAOYSA-N 1 0 291.439 2.408 20 10 CECDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933934 639591151 /nfs/dbraw/zinc/59/11/51/639591151.db2.gz KYYZRAHCGQJVCC-DOMZBBRYSA-N 1 0 282.453 2.263 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c(Cl)c1 ZINC000840941273 639594404 /nfs/dbraw/zinc/59/44/04/639594404.db2.gz VHWXZJYFFGBYES-HNNXBMFYSA-N 1 0 294.782 2.066 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC1(O)CCOCC1 ZINC000840947762 639597863 /nfs/dbraw/zinc/59/78/63/639597863.db2.gz FIRNOJGLLLRVHU-UHFFFAOYSA-N 1 0 292.423 2.082 20 10 CECDRO Cn1ncc2c1CCC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000840954282 639600342 /nfs/dbraw/zinc/60/03/42/639600342.db2.gz GFYITTBMMRXKGT-UHFFFAOYSA-N 1 0 275.327 2.213 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)C(C)C ZINC000840966530 639603983 /nfs/dbraw/zinc/60/39/83/639603983.db2.gz HLDDNUGZFCLPPX-ABAIWWIYSA-N 1 0 281.352 2.006 20 10 CECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000840976500 639607107 /nfs/dbraw/zinc/60/71/07/639607107.db2.gz WYPGGBJGTOKECW-HNNXBMFYSA-N 1 0 281.327 2.306 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000060358328 639612084 /nfs/dbraw/zinc/61/20/84/639612084.db2.gz IOBXNZYMZQFRMR-OAHLLOKOSA-N 1 0 261.296 2.355 20 10 CECDRO COC(=O)COc1ccc(N(C)C[C@@H]([NH3+])CC(C)C)cc1 ZINC000841019856 639619243 /nfs/dbraw/zinc/61/92/43/639619243.db2.gz GAXYPSIMUBBMPM-ZDUSSCGKSA-N 1 0 294.395 2.048 20 10 CECDRO CC[NH2+]CCNCc1cc(C)cc(Br)c1O ZINC000841037199 639628454 /nfs/dbraw/zinc/62/84/54/639628454.db2.gz PYDIJZNORBTOCR-UHFFFAOYSA-N 1 0 287.201 2.162 20 10 CECDRO [NH3+]C1(CNCc2ccc3c(c2)CCO3)CCCCC1 ZINC000841039702 639630035 /nfs/dbraw/zinc/63/00/35/639630035.db2.gz ZXDIUTBOHDJBCK-UHFFFAOYSA-N 1 0 260.381 2.373 20 10 CECDRO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(F)ccc1O ZINC000228336954 639631072 /nfs/dbraw/zinc/63/10/72/639631072.db2.gz NZVINXXYFDAJTC-JTQLQIEISA-N 1 0 282.359 2.487 20 10 CECDRO C[C@@H](C[NH3+])C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841048112 639632265 /nfs/dbraw/zinc/63/22/65/639632265.db2.gz GYGZZCUKLWZMHI-ZETCQYMHSA-N 1 0 263.168 2.383 20 10 CECDRO CCOCc1cc(CNCC2([NH3+])CCC2)ccc1OC ZINC000841050441 639633483 /nfs/dbraw/zinc/63/34/83/639633483.db2.gz FOYIQUUTELHPFL-UHFFFAOYSA-N 1 0 278.396 2.203 20 10 CECDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1cc(Br)ccc1O ZINC000841059574 639636657 /nfs/dbraw/zinc/63/66/57/639636657.db2.gz UUTXMQQXLMKTCB-BXKDBHETSA-N 1 0 299.212 2.242 20 10 CECDRO Cc1ccc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)c(O)c1 ZINC000876974070 650513973 /nfs/dbraw/zinc/51/39/73/650513973.db2.gz XKBKATYIDMPEFC-LLVKDONJSA-N 1 0 264.369 2.093 20 10 CECDRO CN(C)c1ccc(/C=C/CN[C@@H](CC[NH3+])C(F)F)cc1 ZINC000841074682 639644575 /nfs/dbraw/zinc/64/45/75/639644575.db2.gz QFYZEPCAKUHVLM-XGACYXMMSA-N 1 0 283.366 2.338 20 10 CECDRO Cc1cc(O)c(CN[C@H](CC[NH3+])C(F)F)c(Cl)c1 ZINC000841075136 639645890 /nfs/dbraw/zinc/64/58/90/639645890.db2.gz WKNXONUBDSIONE-SNVBAGLBSA-N 1 0 278.730 2.426 20 10 CECDRO Cc1cc(O)c(CN[C@@H]2C[NH2+]CCC2(F)F)c(Cl)c1 ZINC000841080294 639648320 /nfs/dbraw/zinc/64/83/20/639648320.db2.gz OJWAYGQMHBNRQX-GFCCVEGCSA-N 1 0 290.741 2.441 20 10 CECDRO NC[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CCCC1 ZINC000841087495 639651640 /nfs/dbraw/zinc/65/16/40/639651640.db2.gz QJZNRKOSDLMXGY-CYBMUJFWSA-N 1 0 252.333 2.138 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H](CN)C2CCCC2)cc1 ZINC000841086011 639652150 /nfs/dbraw/zinc/65/21/50/639652150.db2.gz FORZJTXALUHKMS-INIZCTEOSA-N 1 0 261.413 2.360 20 10 CECDRO CN(C)c1ccc(CN[C@H]2CC[NH2+]C2(C)C)cc1F ZINC000841085972 639652329 /nfs/dbraw/zinc/65/23/29/639652329.db2.gz JZMNKCHEGYGZRL-AWEZNQCLSA-N 1 0 265.376 2.122 20 10 CECDRO COc1cc(Cl)cc(CN2CC[NH2+]CC2(C)C)c1O ZINC000229104013 639676601 /nfs/dbraw/zinc/67/66/01/639676601.db2.gz NIPPHHSTEGKQGR-UHFFFAOYSA-N 1 0 284.787 2.238 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@]2(C)CCO[C@@H]2C)c1 ZINC000230392179 639756682 /nfs/dbraw/zinc/75/66/82/639756682.db2.gz RNMATMBKPUEZEK-QMTHXVAHSA-N 1 0 251.326 2.058 20 10 CECDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000063191472 639837977 /nfs/dbraw/zinc/83/79/77/639837977.db2.gz SRSSVXUOTVFAAC-XJKSGUPXSA-N 1 0 261.413 2.454 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(Cl)cc1O ZINC000841749086 639857433 /nfs/dbraw/zinc/85/74/33/639857433.db2.gz NEGSDDAYPPTWBW-BMIGLBTASA-N 1 0 299.798 2.484 20 10 CECDRO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841746596 639857464 /nfs/dbraw/zinc/85/74/64/639857464.db2.gz IZLMYZCWCKKWIB-UWVGGRQHSA-N 1 0 280.759 2.376 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000841936283 639907852 /nfs/dbraw/zinc/90/78/52/639907852.db2.gz GSWWZAAZEMTFRV-CQSZACIVSA-N 1 0 291.395 2.066 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CC[NH3+] ZINC000841968432 639913226 /nfs/dbraw/zinc/91/32/26/639913226.db2.gz XPYGAJQXWSNIMP-LBPRGKRZSA-N 1 0 279.384 2.051 20 10 CECDRO CO[C@H](C[NH2+]Cc1ccc(C)cc1O)C(F)(F)F ZINC000877027077 650537543 /nfs/dbraw/zinc/53/75/43/650537543.db2.gz KCGMAIFKCOWVOX-LLVKDONJSA-N 1 0 263.259 2.368 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@]3(CCC[NH2+]3)C2)c1O ZINC000842477032 640076499 /nfs/dbraw/zinc/07/64/99/640076499.db2.gz CAYGJQLRJNAPDH-MRXNPFEDSA-N 1 0 292.354 2.062 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000089151219 640108177 /nfs/dbraw/zinc/10/81/77/640108177.db2.gz WFOCHFXQIDJKAJ-JOYOIKCWSA-N 1 0 255.745 2.296 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC2(CCC2)O1 ZINC000842644711 640132989 /nfs/dbraw/zinc/13/29/89/640132989.db2.gz TZCDLADTVGIMAS-LLVKDONJSA-N 1 0 291.347 2.264 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCc2ncn(C)n2)c1 ZINC000842904620 640217157 /nfs/dbraw/zinc/21/71/57/640217157.db2.gz UZNCVLUEUNCIKS-LBPRGKRZSA-N 1 0 274.368 2.113 20 10 CECDRO C[N@H+](Cc1cccc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843046945 640251134 /nfs/dbraw/zinc/25/11/34/640251134.db2.gz IEFXIPICLRIKSC-FUNVUKJBSA-N 1 0 264.344 2.246 20 10 CECDRO Cc1cc(Br)cc(CN(C)[C@H]2CC[NH2+]C2)c1O ZINC000843049056 640253518 /nfs/dbraw/zinc/25/35/18/640253518.db2.gz FDFFMOHNUTZIIV-LBPRGKRZSA-N 1 0 299.212 2.257 20 10 CECDRO CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000843049597 640253941 /nfs/dbraw/zinc/25/39/41/640253941.db2.gz SFWNEFNUFUENHV-KRWDZBQOSA-N 1 0 273.424 2.471 20 10 CECDRO Cc1cc(Br)cc(CN(C)[C@@H](C)C[NH3+])c1O ZINC000843051920 640254385 /nfs/dbraw/zinc/25/43/85/640254385.db2.gz MHBZZOMPZOLNQF-VIFPVBQESA-N 1 0 287.201 2.242 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000843057235 640259783 /nfs/dbraw/zinc/25/97/83/640259783.db2.gz HEHMSXPZAYGVTI-KGLIPLIRSA-N 1 0 261.413 2.243 20 10 CECDRO CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N)cc1 ZINC000877079111 650562966 /nfs/dbraw/zinc/56/29/66/650562966.db2.gz QWCZLGBESGHRQW-QXMXGUDHSA-N 1 0 273.380 2.152 20 10 CECDRO C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843057244 640260219 /nfs/dbraw/zinc/26/02/19/640260219.db2.gz HLDLCABARLOYOP-VHSXEESVSA-N 1 0 299.212 2.324 20 10 CECDRO C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000843057871 640260328 /nfs/dbraw/zinc/26/03/28/640260328.db2.gz NFFQESDXLDGPEL-NXEZZACHSA-N 1 0 299.212 2.324 20 10 CECDRO Cc1nn(C)cc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058599 640260937 /nfs/dbraw/zinc/26/09/37/640260937.db2.gz WLAHPUAODMCVHB-UHFFFAOYSA-N 1 0 270.380 2.140 20 10 CECDRO [NH3+]CCN(CCc1ccccc1)Cc1ccccc1O ZINC000843122043 640290902 /nfs/dbraw/zinc/29/09/02/640290902.db2.gz OAFGSELWMIPXPJ-UHFFFAOYSA-N 1 0 270.376 2.396 20 10 CECDRO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1ccccc1O ZINC000843127553 640294491 /nfs/dbraw/zinc/29/44/91/640294491.db2.gz DWUYPTPWZUIHQE-MRXNPFEDSA-N 1 0 268.360 2.450 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1OC ZINC000843129882 640296477 /nfs/dbraw/zinc/29/64/77/640296477.db2.gz SRPOCXLNAKUPHH-OLZOCXBDSA-N 1 0 280.412 2.447 20 10 CECDRO CCOCc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])ccc1OC ZINC000843129881 640296603 /nfs/dbraw/zinc/29/66/03/640296603.db2.gz SRPOCXLNAKUPHH-CHWSQXEVSA-N 1 0 280.412 2.447 20 10 CECDRO C[C@@H]([NH2+]CCCCCC[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000843342439 640394741 /nfs/dbraw/zinc/39/47/41/640394741.db2.gz QQZACRYQRSILGT-LLVKDONJSA-N 1 0 281.356 2.470 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843364443 640405712 /nfs/dbraw/zinc/40/57/12/640405712.db2.gz IGBOMRCSZSTVJL-MWLCHTKSSA-N 1 0 296.798 2.417 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000877120485 650581716 /nfs/dbraw/zinc/58/17/16/650581716.db2.gz SWNRWCJEZYJUGE-LLVKDONJSA-N 1 0 263.259 2.104 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000877120486 650581828 /nfs/dbraw/zinc/58/18/28/650581828.db2.gz SWNRWCJEZYJUGE-NSHDSACASA-N 1 0 263.259 2.104 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC000877132820 650588091 /nfs/dbraw/zinc/58/80/91/650588091.db2.gz OKUNPWRRNWALRT-GOEBONIOSA-N 1 0 277.364 2.128 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc3n(n2)CCC3)c1 ZINC000844313540 640673759 /nfs/dbraw/zinc/67/37/59/640673759.db2.gz TVDIJLLLRZFJIQ-LLVKDONJSA-N 1 0 287.363 2.394 20 10 CECDRO COCCC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399774 640708271 /nfs/dbraw/zinc/70/82/71/640708271.db2.gz OMOHDMJZAWXQCL-UHFFFAOYSA-N 1 0 266.385 2.100 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CC2=CCCOC2)cc1 ZINC000846052876 641163969 /nfs/dbraw/zinc/16/39/69/641163969.db2.gz UKQDCKHSDQQLDK-UHFFFAOYSA-N 1 0 290.407 2.410 20 10 CECDRO OCC1(CC[NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000846104166 641181915 /nfs/dbraw/zinc/18/19/15/641181915.db2.gz CQMQSPRNCBDGIL-UHFFFAOYSA-N 1 0 253.317 2.174 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2cnccn2)c1O ZINC000846142484 641198798 /nfs/dbraw/zinc/19/87/98/641198798.db2.gz ULZPHEDQZBIGAW-NWDGAFQWSA-N 1 0 287.363 2.473 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)c1O ZINC000846142203 641199417 /nfs/dbraw/zinc/19/94/17/641199417.db2.gz DFQJEPNWQLGGAU-NEPJUHHUSA-N 1 0 264.369 2.146 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1O ZINC000846148255 641203109 /nfs/dbraw/zinc/20/31/09/641203109.db2.gz YTDDKLRMDFBLHU-NEPJUHHUSA-N 1 0 276.380 2.288 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)c1O ZINC000846152883 641204457 /nfs/dbraw/zinc/20/44/57/641204457.db2.gz VGNNQNRUNDFKQD-YPMHNXCESA-N 1 0 292.379 2.061 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)c1O ZINC000846152850 641204681 /nfs/dbraw/zinc/20/46/81/641204681.db2.gz FBHJHVPEBZCGTE-ADWYPQAOSA-N 1 0 285.409 2.209 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC2(OC)CCOCC2)c1O ZINC000846157820 641207209 /nfs/dbraw/zinc/20/72/09/641207209.db2.gz XOGOHHQGWJAEHY-LBPRGKRZSA-N 1 0 295.379 2.247 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)C2CCC2)c1O ZINC000846170296 641211705 /nfs/dbraw/zinc/21/17/05/641211705.db2.gz WKVRVXZNYISYRH-GWCFXTLKSA-N 1 0 265.353 2.212 20 10 CECDRO CC[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(C)cc1O ZINC000846193168 641218896 /nfs/dbraw/zinc/21/88/96/641218896.db2.gz KJOPSIGJDBGFRJ-HOCLYGCPSA-N 1 0 279.380 2.283 20 10 CECDRO CC[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000846193850 641219078 /nfs/dbraw/zinc/21/90/78/641219078.db2.gz KTTQUKHOPRCZMU-IRXDYDNUSA-N 1 0 292.423 2.335 20 10 CECDRO C[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(Cl)cc1O ZINC000846206915 641221570 /nfs/dbraw/zinc/22/15/70/641221570.db2.gz VSKBRBYDWIONNT-SNVBAGLBSA-N 1 0 282.771 2.319 20 10 CECDRO CC[C@H]([NH2+]CCN1CCCC1=O)c1ccc(N(C)C)cc1 ZINC000846207765 641222355 /nfs/dbraw/zinc/22/23/55/641222355.db2.gz DUUCZAXRDTUTKW-INIZCTEOSA-N 1 0 289.423 2.416 20 10 CECDRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(N(C)C)cc1 ZINC000846214256 641226182 /nfs/dbraw/zinc/22/61/82/641226182.db2.gz LJEDTOAZYSDCRG-YOEHRIQHSA-N 1 0 292.423 2.335 20 10 CECDRO C[C@@H](NC(=O)C1([NH3+])CCCCC1)c1ccccc1O ZINC000877255212 650643567 /nfs/dbraw/zinc/64/35/67/650643567.db2.gz AGTYZHXSRYSXIM-LLVKDONJSA-N 1 0 262.353 2.231 20 10 CECDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1ccccc1O ZINC000877255910 650644248 /nfs/dbraw/zinc/64/42/48/650644248.db2.gz JYWIGECEQCEPBN-NSHDSACASA-N 1 0 264.369 2.335 20 10 CECDRO NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180010958 641400759 /nfs/dbraw/zinc/40/07/59/641400759.db2.gz AYYUBZXEAVSHNO-NSHDSACASA-N 1 0 280.343 2.009 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH3+])C[C@H]2C)c1O ZINC000846707860 641404172 /nfs/dbraw/zinc/40/41/72/641404172.db2.gz ZRNNCBRWFJIJLB-NOZJJQNGSA-N 1 0 280.343 2.046 20 10 CECDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)OC1=O ZINC000846861752 641458880 /nfs/dbraw/zinc/45/88/80/641458880.db2.gz RFGJONOIGUPQSY-SWLSCSKDSA-N 1 0 291.395 2.244 20 10 CECDRO CCN1C[C@@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)OC1=O ZINC000846861748 641459026 /nfs/dbraw/zinc/45/90/26/641459026.db2.gz RFGJONOIGUPQSY-IUODEOHRSA-N 1 0 291.395 2.244 20 10 CECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](O)CN(C)CC ZINC000846894214 641472692 /nfs/dbraw/zinc/47/26/92/641472692.db2.gz UPDVROMOCOAASM-MRXNPFEDSA-N 1 0 294.439 2.307 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C[C@H](C)O)C2CC2)cc1 ZINC000847104679 641570246 /nfs/dbraw/zinc/57/02/46/641570246.db2.gz JEOOQZOPZIGLEZ-ZDUSSCGKSA-N 1 0 262.397 2.488 20 10 CECDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877322714 650675374 /nfs/dbraw/zinc/67/53/74/650675374.db2.gz CCHBKYJHWDKALZ-NWDGAFQWSA-N 1 0 265.353 2.378 20 10 CECDRO CC(C)OCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877336028 650678995 /nfs/dbraw/zinc/67/89/95/650678995.db2.gz NGWYWCUEFJWLES-UHFFFAOYSA-N 1 0 292.423 2.162 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc(F)ccc1O ZINC000184862480 641914076 /nfs/dbraw/zinc/91/40/76/641914076.db2.gz ISMMNCLGXAIKJL-SNVBAGLBSA-N 1 0 288.322 2.481 20 10 CECDRO C[C@H]1CC[N@H+](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000848242373 641932769 /nfs/dbraw/zinc/93/27/69/641932769.db2.gz DLSXFBIJAXYXAX-JTQLQIEISA-N 1 0 282.771 2.004 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)CC[NH2+]C1CC1 ZINC000848397778 641977988 /nfs/dbraw/zinc/97/79/88/641977988.db2.gz LKDBWYIHESZGCL-UHFFFAOYSA-N 1 0 276.380 2.273 20 10 CECDRO NC(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921501341 642032514 /nfs/dbraw/zinc/03/25/14/642032514.db2.gz KIRFSSDZRWJPKX-UHFFFAOYSA-N 1 0 296.370 2.400 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(N(C)C)cc1 ZINC000848563993 642055505 /nfs/dbraw/zinc/05/55/05/642055505.db2.gz GKWZWYMDUCOYIS-GXTWGEPZSA-N 1 0 299.422 2.089 20 10 CECDRO CCc1cccc(C[N@@H+]2CCN(C)CC2(C)C)c1O ZINC000848887179 642171835 /nfs/dbraw/zinc/17/18/35/642171835.db2.gz PNZFMWVAJUWLHW-UHFFFAOYSA-N 1 0 262.397 2.481 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1O ZINC000848889027 642173862 /nfs/dbraw/zinc/17/38/62/642173862.db2.gz GAWKMVMEQVPWLD-LBPRGKRZSA-N 1 0 276.380 2.042 20 10 CECDRO CCc1cccc(C[N@H+](C)CCc2cnccn2)c1O ZINC000848901652 642179975 /nfs/dbraw/zinc/17/99/75/642179975.db2.gz YXJKKNMTPVDJQN-UHFFFAOYSA-N 1 0 271.364 2.419 20 10 CECDRO CCc1cccc(C[NH2+][C@@](C)(COC)CC(=O)OC)c1O ZINC000848902115 642180265 /nfs/dbraw/zinc/18/02/65/642180265.db2.gz KTGNSGPIMZSFRR-MRXNPFEDSA-N 1 0 295.379 2.012 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](CCO)C2CCOCC2)c1O ZINC000848902907 642180581 /nfs/dbraw/zinc/18/05/81/642180581.db2.gz JMLXHHWNEZRVHI-INIZCTEOSA-N 1 0 293.407 2.222 20 10 CECDRO CCc1cccc(C[NH2+]Cc2cnn(CCOC)c2)c1O ZINC000848909435 642185352 /nfs/dbraw/zinc/18/53/52/642185352.db2.gz TYOPXLTVXYPPSE-UHFFFAOYSA-N 1 0 289.379 2.087 20 10 CECDRO CCc1cccc(C[N@@H+]2CCOC[C@@H]2CCOC)c1O ZINC000848913071 642187786 /nfs/dbraw/zinc/18/77/86/642187786.db2.gz NOUWKEJMJQMVQD-HNNXBMFYSA-N 1 0 279.380 2.192 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000848915481 642188629 /nfs/dbraw/zinc/18/86/29/642188629.db2.gz IEXNAJLMDWAHGT-CQSZACIVSA-N 1 0 292.379 2.227 20 10 CECDRO CCNC(=O)[C@@H]([NH2+]Cc1cccc(CC)c1O)C(C)C ZINC000848915113 642189066 /nfs/dbraw/zinc/18/90/66/642189066.db2.gz XVUCNCBTMQNKOR-AWEZNQCLSA-N 1 0 278.396 2.205 20 10 CECDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921524616 642190013 /nfs/dbraw/zinc/19/00/13/642190013.db2.gz HEVDLWYQDXIXCN-CYBMUJFWSA-N 1 0 271.364 2.386 20 10 CECDRO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccc(C)cc1O ZINC000877461728 650729917 /nfs/dbraw/zinc/72/99/17/650729917.db2.gz GGBKCKRUCNNDPT-INIZCTEOSA-N 1 0 276.380 2.191 20 10 CECDRO COCCCOCC[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000091026151 642405798 /nfs/dbraw/zinc/40/57/98/642405798.db2.gz FJPFEEVPVOPDLN-UHFFFAOYSA-N 1 0 281.396 2.494 20 10 CECDRO COc1cc(C[NH2+][C@H](C)CO)c(O)c(C(C)(C)C)c1 ZINC000850071682 642567357 /nfs/dbraw/zinc/56/73/57/642567357.db2.gz CYXGMLKZGXNLMD-SNVBAGLBSA-N 1 0 267.369 2.169 20 10 CECDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000186456390 642571364 /nfs/dbraw/zinc/57/13/64/642571364.db2.gz NRAYLTUKMVDDST-JQWIXIFHSA-N 1 0 296.342 2.413 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921764164 642594133 /nfs/dbraw/zinc/59/41/33/642594133.db2.gz GNBZQMWWSUCUDL-XHDPSFHLSA-N 1 0 281.421 2.214 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cccnc3)C2)cc1 ZINC000850346159 642675468 /nfs/dbraw/zinc/67/54/68/642675468.db2.gz QZFBASMTBLWYAF-HNNXBMFYSA-N 1 0 283.375 2.459 20 10 CECDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000850350260 642676702 /nfs/dbraw/zinc/67/67/02/642676702.db2.gz ABTBNUJSDSNPNO-GFCCVEGCSA-N 1 0 292.379 2.083 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1O ZINC000850356641 642681024 /nfs/dbraw/zinc/68/10/24/642681024.db2.gz QUZYUIWBZBYZDK-VFGMZZLHSA-N 1 0 297.420 2.180 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850367918 642684527 /nfs/dbraw/zinc/68/45/27/642684527.db2.gz RXGQFPGVCYVXFH-NSHDSACASA-N 1 0 263.337 2.202 20 10 CECDRO c1nc2n(n1)CCC[C@H]2NCc1ccc2c(c1)CCCO2 ZINC000921821702 642688299 /nfs/dbraw/zinc/68/82/99/642688299.db2.gz QWKVVPLMMVSPNR-CQSZACIVSA-N 1 0 284.363 2.228 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000850379381 642690669 /nfs/dbraw/zinc/69/06/69/642690669.db2.gz NGDWCYLAYXDALV-NWDGAFQWSA-N 1 0 265.353 2.448 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN(C)OC)cc1 ZINC000850481130 642727558 /nfs/dbraw/zinc/72/75/58/642727558.db2.gz XMOMXWKCZAFNCG-CYBMUJFWSA-N 1 0 265.401 2.287 20 10 CECDRO COC[C@@H](CC[NH2+][C@@H](C)c1cccc(OC)c1O)OC ZINC000850486306 642730082 /nfs/dbraw/zinc/73/00/82/642730082.db2.gz RWTAVMMPIZXING-NWDGAFQWSA-N 1 0 283.368 2.103 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CCCO3)C2)cc1 ZINC000850489441 642731031 /nfs/dbraw/zinc/73/10/31/642731031.db2.gz UPRHFWSOJWXQLY-ZQIUZPCESA-N 1 0 290.407 2.431 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(N(C)C)cc1 ZINC000850547331 642748069 /nfs/dbraw/zinc/74/80/69/642748069.db2.gz TWSILKJDORGSBQ-DZGCQCFKSA-N 1 0 275.396 2.072 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](CO)CC2CC2)c1O ZINC000850546414 642748676 /nfs/dbraw/zinc/74/86/76/642748676.db2.gz LRXZEBHZRGDWHP-YPMHNXCESA-N 1 0 279.380 2.460 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000850547400 642748754 /nfs/dbraw/zinc/74/87/54/642748754.db2.gz FRSVFFROXBSBIN-VIFPVBQESA-N 1 0 286.759 2.394 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1C[C@H](O)C13CCC3)CC2 ZINC000850547837 642749723 /nfs/dbraw/zinc/74/97/23/642749723.db2.gz XIQCTVQJGCOEFW-BNOWGMLFSA-N 1 0 259.349 2.273 20 10 CECDRO CCOC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565759 642754000 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ZINC000877635604 650826478 /nfs/dbraw/zinc/82/64/78/650826478.db2.gz YHJVUMMJZQAKJV-UHFFFAOYSA-N 1 0 268.700 2.332 20 10 CECDRO Oc1cncc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000922977753 643493141 /nfs/dbraw/zinc/49/31/41/643493141.db2.gz ZMNJWYKZHFVWMB-UHFFFAOYSA-N 1 0 256.305 2.012 20 10 CECDRO COC(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000852763955 643542712 /nfs/dbraw/zinc/54/27/12/643542712.db2.gz CFOIDJZDYYZLRY-UHFFFAOYSA-N 1 0 291.395 2.073 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877682241 650848028 /nfs/dbraw/zinc/84/80/28/650848028.db2.gz MPUWFGXRCFVIGM-GWIBLVFBSA-N 1 0 259.349 2.214 20 10 CECDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000852805282 643559583 /nfs/dbraw/zinc/55/95/83/643559583.db2.gz VDXSXAFYLKZVDO-AWEZNQCLSA-N 1 0 295.402 2.286 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CN3CCC2CC3)c1 ZINC000877705970 650861966 /nfs/dbraw/zinc/86/19/66/650861966.db2.gz BZVUEUPNGPGJAD-MRXNPFEDSA-N 1 0 290.407 2.317 20 10 CECDRO CN(C)c1ccc(C[N@H+](C[C@@H](O)C2CC2)C2CC2)cc1 ZINC000838793148 644013109 /nfs/dbraw/zinc/01/31/09/644013109.db2.gz HUOMXWDNWVRWFV-QGZVFWFLSA-N 1 0 274.408 2.488 20 10 CECDRO C[NH2+]C[C@H](C)N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000854231984 644018459 /nfs/dbraw/zinc/01/84/59/644018459.db2.gz MOPWINSRVOOAAO-WCABBAIRSA-N 1 0 252.333 2.277 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c1 ZINC000877753126 650897098 /nfs/dbraw/zinc/89/70/98/650897098.db2.gz NBSJPBKMEDIAGX-ZDUSSCGKSA-N 1 0 279.380 2.384 20 10 CECDRO CCOc1ccc(C[NH+]2CC3(C2)CCCOC3)c(O)c1 ZINC000839138965 644171098 /nfs/dbraw/zinc/17/10/98/644171098.db2.gz RQLBMACOJFNJSI-UHFFFAOYSA-N 1 0 277.364 2.403 20 10 CECDRO C[NH+](C)CCCC(C)(C)NC(=O)C1=CC(=O)CS1 ZINC000854829389 644178491 /nfs/dbraw/zinc/17/84/91/644178491.db2.gz FYJGKTXMDPFQQK-UHFFFAOYSA-N 1 0 270.398 2.304 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C1CCS(=O)(=O)CC1 ZINC000877757965 650900215 /nfs/dbraw/zinc/90/02/15/650900215.db2.gz AXYFYPUTRJKCJI-NEPJUHHUSA-N 1 0 297.420 2.256 20 10 CECDRO C[C@@H](C1CC1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839460624 644227269 /nfs/dbraw/zinc/22/72/69/644227269.db2.gz QGUSZMMEIOKXPU-ZDUSSCGKSA-N 1 0 289.423 2.099 20 10 CECDRO CNC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(C)cc1O ZINC000877773062 650905139 /nfs/dbraw/zinc/90/51/39/650905139.db2.gz ZMRFVWZHVJWNTB-UHFFFAOYSA-N 1 0 298.386 2.449 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)cc1 ZINC000754155589 644331658 /nfs/dbraw/zinc/33/16/58/644331658.db2.gz YFOBXEPLVXMEGY-CALCHBBNSA-N 1 0 292.423 2.378 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1 ZINC000877806922 650916586 /nfs/dbraw/zinc/91/65/86/650916586.db2.gz SVFKJDLCNOZKRC-WPGHFRTFSA-N 1 0 277.364 2.448 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C)Cc1cc(C)cc(OC)c1O ZINC000754723815 644420313 /nfs/dbraw/zinc/42/03/13/644420313.db2.gz VYFXCYXYMUZMPA-UHFFFAOYSA-N 1 0 294.395 2.009 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000754726979 644420933 /nfs/dbraw/zinc/42/09/33/644420933.db2.gz CTXPNTIIZYKONF-GFCCVEGCSA-N 1 0 263.337 2.004 20 10 CECDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000877828250 650923707 /nfs/dbraw/zinc/92/37/07/650923707.db2.gz CJMLHPAUCFCCQT-CYBMUJFWSA-N 1 0 290.407 2.384 20 10 CECDRO CCOC(=O)[C@@H](C)C1C[NH+](Cc2cc(C)ccc2O)C1 ZINC000877829358 650924716 /nfs/dbraw/zinc/92/47/16/650924716.db2.gz RKLUIUXBPSCYND-LBPRGKRZSA-N 1 0 277.364 2.332 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)c2c1c(F)ccc2O ZINC000756372195 644637447 /nfs/dbraw/zinc/63/74/47/644637447.db2.gz PJHWJMILHSPFJP-BXKDBHETSA-N 1 0 292.354 2.195 20 10 CECDRO COCCN(C)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756528727 644658866 /nfs/dbraw/zinc/65/88/66/644658866.db2.gz OZNJGXDDDMKMQN-YPMHNXCESA-N 1 0 296.386 2.247 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCOC[C@H]2C)c1 ZINC000756537348 644659574 /nfs/dbraw/zinc/65/95/74/644659574.db2.gz YHTPVYXYTBCWBV-KGLIPLIRSA-N 1 0 278.396 2.072 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCOC[C@@H]2C)c(O)c1C ZINC000756534454 644659791 /nfs/dbraw/zinc/65/97/91/644659791.db2.gz KVQLKUZPKTXBFG-DZGCQCFKSA-N 1 0 292.423 2.380 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)O)c2c1c(F)ccc2O ZINC000756564910 644667775 /nfs/dbraw/zinc/66/77/75/644667775.db2.gz TZSJZCFFMCNYGZ-WCBMZHEXSA-N 1 0 253.317 2.440 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)C2=O)c(O)c1C ZINC000756639433 644676546 /nfs/dbraw/zinc/67/65/46/644676546.db2.gz YTEYZUDIKLCTKX-GXTWGEPZSA-N 1 0 276.380 2.280 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCNc2cnccn2)c(O)c1 ZINC000756647961 644677661 /nfs/dbraw/zinc/67/76/61/644677661.db2.gz XPNKGKSHYSFMFY-LBPRGKRZSA-N 1 0 272.352 2.253 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cc2c(cc1O)CCCC2 ZINC000756660144 644681134 /nfs/dbraw/zinc/68/11/34/644681134.db2.gz JDPJQQDRMMYDFO-WDEREUQCSA-N 1 0 276.380 2.186 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC2CCCC2)c(O)c1 ZINC000756704048 644683925 /nfs/dbraw/zinc/68/39/25/644683925.db2.gz DWUYPTDLKJOHKL-GFCCVEGCSA-N 1 0 276.380 2.410 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c1 ZINC000756757752 644689229 /nfs/dbraw/zinc/68/92/29/644689229.db2.gz DGCXRHKQJOHDKG-HEHGZKQESA-N 1 0 278.396 2.070 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCS(=O)(=O)CC2CC2)c1 ZINC000756763137 644690439 /nfs/dbraw/zinc/69/04/39/644690439.db2.gz UNFCDQBXJKPZOE-LBPRGKRZSA-N 1 0 297.420 2.176 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)ncn2)c1 ZINC000756774256 644691060 /nfs/dbraw/zinc/69/10/60/644691060.db2.gz BLDZPYCPYYKOFU-LLVKDONJSA-N 1 0 273.336 2.350 20 10 CECDRO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(F)ccc1O ZINC000756790726 644692126 /nfs/dbraw/zinc/69/21/26/644692126.db2.gz OSBGZFWRMRILSB-JTQLQIEISA-N 1 0 290.342 2.238 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCn2cncn2)c(O)c1C ZINC000756829146 644696160 /nfs/dbraw/zinc/69/61/60/644696160.db2.gz CWANXEXFHXVVHZ-ZDUSSCGKSA-N 1 0 274.368 2.341 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c1O ZINC000857061972 644806375 /nfs/dbraw/zinc/80/63/75/644806375.db2.gz XESQPEPROHZYGH-OCCSQVGLSA-N 1 0 279.380 2.241 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCSCC1 ZINC000757873562 644853207 /nfs/dbraw/zinc/85/32/07/644853207.db2.gz AZFRDBHFETUUNZ-UHFFFAOYSA-N 1 0 292.448 2.462 20 10 CECDRO CCOc1ccc(O)c(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857226300 644858812 /nfs/dbraw/zinc/85/88/12/644858812.db2.gz KISNRORGNISBMM-BBRMVZONSA-N 1 0 276.380 2.104 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCOC[C@H]2OCC)c(O)c1 ZINC000759172289 644991549 /nfs/dbraw/zinc/99/15/49/644991549.db2.gz HLMKIUAHHDRULP-GOEBONIOSA-N 1 0 295.379 2.075 20 10 CECDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000858322046 645118193 /nfs/dbraw/zinc/11/81/93/645118193.db2.gz LVMQDZDQNRMANE-XYPYZODXSA-N 1 0 270.323 2.298 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)c2c1c(F)ccc2O ZINC000858545807 645197400 /nfs/dbraw/zinc/19/74/00/645197400.db2.gz VHCGOZYDJTZSCO-MWGHHZFTSA-N 1 0 265.328 2.440 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(Cl)ccc1O ZINC000858553244 645199836 /nfs/dbraw/zinc/19/98/36/645199836.db2.gz MPBZTLMDGSDELD-OUCADQQQSA-N 1 0 285.771 2.236 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000760890389 645207401 /nfs/dbraw/zinc/20/74/01/645207401.db2.gz XDDAFZINNRVPCD-SGIREYDYSA-N 1 0 295.379 2.245 20 10 CECDRO CON(C)C(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000858580195 645209367 /nfs/dbraw/zinc/20/93/67/645209367.db2.gz XNBBJGTUWVJCSB-YWVKMMECSA-N 1 0 296.342 2.078 20 10 CECDRO Cc1cc(CNC(=O)C(C)(C)[NH3+])c(C)n1-c1ccccc1 ZINC000859601037 645534835 /nfs/dbraw/zinc/53/48/35/645534835.db2.gz ATFJALKLHHMPRK-UHFFFAOYSA-N 1 0 285.391 2.448 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)cc1 ZINC000763399507 645542194 /nfs/dbraw/zinc/54/21/94/645542194.db2.gz WZJPSMYGUYLZDE-NWDGAFQWSA-N 1 0 263.385 2.057 20 10 CECDRO COc1ccc(C[NH2+][C@H](CCO)C2CCOCC2)cc1C ZINC000763466886 645548839 /nfs/dbraw/zinc/54/88/39/645548839.db2.gz NQZMZTTYFHYLLI-MRXNPFEDSA-N 1 0 293.407 2.271 20 10 CECDRO CC[C@@H](C)[NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765252151 645749049 /nfs/dbraw/zinc/74/90/49/645749049.db2.gz IBEYYEWZZGRIFN-UKRRQHHQSA-N 1 0 289.423 2.276 20 10 CECDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CC2(CO1)CCOCC2 ZINC000878241492 651043523 /nfs/dbraw/zinc/04/35/23/651043523.db2.gz GLMKUGLFGKDGOX-OAHLLOKOSA-N 1 0 291.391 2.410 20 10 CECDRO C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000765728640 645802564 /nfs/dbraw/zinc/80/25/64/645802564.db2.gz NOFQTORRCMGKMH-LSDHHAIUSA-N 1 0 291.439 2.124 20 10 CECDRO CC(C)[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439329 646122802 /nfs/dbraw/zinc/12/28/02/646122802.db2.gz KITJRTKQHZJKIA-QMTHXVAHSA-N 1 0 265.353 2.294 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768438033 646122870 /nfs/dbraw/zinc/12/28/70/646122870.db2.gz OQQYSNPMFGOMRN-QMTHXVAHSA-N 1 0 263.337 2.050 20 10 CECDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(O)cc1C ZINC000768452034 646125519 /nfs/dbraw/zinc/12/55/19/646125519.db2.gz NJFWCHDQTKQZJG-OAHLLOKOSA-N 1 0 290.407 2.379 20 10 CECDRO C[N@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCOC1 ZINC000768450111 646125576 /nfs/dbraw/zinc/12/55/76/646125576.db2.gz HWYQOKFCECHZGV-OAHLLOKOSA-N 1 0 261.365 2.492 20 10 CECDRO C[C@H]([N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)C1(C)CC1 ZINC000768463645 646126652 /nfs/dbraw/zinc/12/66/52/646126652.db2.gz KWTAFDQCZGECTJ-IINYFYTJSA-N 1 0 277.364 2.438 20 10 CECDRO CCOc1cccc(C[N@H+](C)[C@H]2CCN(C3CC3)C2)c1O ZINC000769327253 646246313 /nfs/dbraw/zinc/24/63/13/646246313.db2.gz UUXJAAJEWCFGMZ-HNNXBMFYSA-N 1 0 290.407 2.459 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](CCCO)C2CC2)c1 ZINC000769405763 646261278 /nfs/dbraw/zinc/26/12/78/646261278.db2.gz XSWRBOPBBFFZSX-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO CCOc1ccc(CN2CC[NH+](C3CCC3)CC2)c(O)c1 ZINC000769410401 646262245 /nfs/dbraw/zinc/26/22/45/646262245.db2.gz CCNOZHYXYTYSEL-UHFFFAOYSA-N 1 0 290.407 2.461 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)OC)C2)c(O)c1 ZINC000769514546 646280074 /nfs/dbraw/zinc/28/00/74/646280074.db2.gz JDQSFATZBINQGO-FZMZJTMJSA-N 1 0 293.363 2.032 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c1O ZINC000770285335 646376917 /nfs/dbraw/zinc/37/69/17/646376917.db2.gz GBFWIYHXBKYFCY-KBPBESRZSA-N 1 0 277.364 2.402 20 10 CECDRO CCN(CC)c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000770395465 646387462 /nfs/dbraw/zinc/38/74/62/646387462.db2.gz RJJYZYDBFUNZMT-GASCZTMLSA-N 1 0 291.414 2.323 20 10 CECDRO CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)[C@@H](C)CO ZINC000862378129 646425557 /nfs/dbraw/zinc/42/55/57/646425557.db2.gz PGZZRBQOLZGGAS-JTQLQIEISA-N 1 0 272.339 2.234 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000770752355 646434068 /nfs/dbraw/zinc/43/40/68/646434068.db2.gz NMLUBMIOKFMOPD-IAQYHMDHSA-N 1 0 297.782 2.473 20 10 CECDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862396069 646437140 /nfs/dbraw/zinc/43/71/40/646437140.db2.gz GQIXRLRNOBHFNX-RYUDHWBXSA-N 1 0 298.377 2.481 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c1O ZINC000862428132 646456760 /nfs/dbraw/zinc/45/67/60/646456760.db2.gz LMZIFABIOXGZHO-CQSZACIVSA-N 1 0 276.380 2.007 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@@H](CCF)C1)CCC2 ZINC000863316960 646702921 /nfs/dbraw/zinc/70/29/21/646702921.db2.gz URAHNHNVPFMJIE-HNNXBMFYSA-N 1 0 279.355 2.441 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)CCN2CCCC2=O)cc1 ZINC000773754513 646773255 /nfs/dbraw/zinc/77/32/55/646773255.db2.gz GOADBRSMLOXCRB-UHFFFAOYSA-N 1 0 289.423 2.197 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](C)C[S@@](C)=O)cc1 ZINC000773839842 646779695 /nfs/dbraw/zinc/77/96/95/646779695.db2.gz OATVSKHYQQVQAI-ORAYPTAESA-N 1 0 282.453 2.342 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)cc1 ZINC000773887132 646784448 /nfs/dbraw/zinc/78/44/48/646784448.db2.gz BJBAGRDBZWTGLL-CJNGLKHVSA-N 1 0 262.397 2.345 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2ccco2)c1 ZINC000775369704 646946215 /nfs/dbraw/zinc/94/62/15/646946215.db2.gz FTCZWILPZSCTBU-IINYFYTJSA-N 1 0 277.320 2.378 20 10 CECDRO CC[C@@H]([NH2+]CCc1nncn1CC)c1ccccc1O ZINC000775522842 646962923 /nfs/dbraw/zinc/96/29/23/646962923.db2.gz BXFMHOSCYKVATD-CYBMUJFWSA-N 1 0 274.368 2.287 20 10 CECDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000775642836 646975287 /nfs/dbraw/zinc/97/52/87/646975287.db2.gz PCYLUEANKFRXMR-WCQYABFASA-N 1 0 295.379 2.409 20 10 CECDRO C[C@H]([NH2+]Cc1ccn(C)c(=O)c1)c1ccc(N(C)C)cc1 ZINC000775835623 646997662 /nfs/dbraw/zinc/99/76/62/646997662.db2.gz VMVGAGRYMJMPHO-ZDUSSCGKSA-N 1 0 285.391 2.302 20 10 CECDRO CN(C)c1ccc(CNC(=[NH2+])NCCC2CC2)cc1F ZINC000864456582 647011331 /nfs/dbraw/zinc/01/13/31/647011331.db2.gz JTZPHOZUNZZZLC-UHFFFAOYSA-N 1 0 278.375 2.306 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864459780 647014830 /nfs/dbraw/zinc/01/48/30/647014830.db2.gz CEKYLSRKEYHOKS-BXUZGUMPSA-N 1 0 260.385 2.083 20 10 CECDRO CC[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1O ZINC000776005847 647016279 /nfs/dbraw/zinc/01/62/79/647016279.db2.gz CZHWRYVULZXRJO-LZWOXQAQSA-N 1 0 290.407 2.296 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](OC)C2)c1 ZINC000776252577 647042644 /nfs/dbraw/zinc/04/26/44/647042644.db2.gz GZEXEZBVEQXRJS-QWHCGFSZSA-N 1 0 265.353 2.448 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCC[C@@H]2OC)cc1OC ZINC000776257552 647043505 /nfs/dbraw/zinc/04/35/05/647043505.db2.gz YFXBDDNGPIUTFU-RISCZKNCSA-N 1 0 295.379 2.314 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000778187131 647207075 /nfs/dbraw/zinc/20/70/75/647207075.db2.gz ILVIYKZSKXWTDL-LBPRGKRZSA-N 1 0 277.755 2.347 20 10 CECDRO CCCCCC[N@H+](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000778919597 647274448 /nfs/dbraw/zinc/27/44/48/647274448.db2.gz GNGZUNZJNPFLJU-UHFFFAOYSA-N 1 0 294.395 2.226 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000865691238 647424931 /nfs/dbraw/zinc/42/49/31/647424931.db2.gz WAGFQCDRKXJQQM-COPLHBTASA-N 1 0 265.353 2.446 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000865711404 647434268 /nfs/dbraw/zinc/43/42/68/647434268.db2.gz NKEZEXMQLFENII-QPUJVOFHSA-N 1 0 293.285 2.192 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1 ZINC000865712132 647435147 /nfs/dbraw/zinc/43/51/47/647435147.db2.gz XEBUDRZUSRFIDP-QPUJVOFHSA-N 1 0 293.285 2.192 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000782544699 647636223 /nfs/dbraw/zinc/63/62/23/647636223.db2.gz PELOPESCIIYASX-AWEZNQCLSA-N 1 0 287.359 2.094 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)C[C@H](C)O)c1 ZINC000782977078 647667712 /nfs/dbraw/zinc/66/77/12/647667712.db2.gz ALDVEACWFXDSJP-QWRGUYRKSA-N 1 0 253.342 2.040 20 10 CECDRO CC[C@@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000783317506 647708308 /nfs/dbraw/zinc/70/83/08/647708308.db2.gz SXLLIYFCAQYRFV-YWVKMMECSA-N 1 0 253.317 2.440 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccccc1O ZINC000866412926 647779000 /nfs/dbraw/zinc/77/90/00/647779000.db2.gz OAEATXDGIRALNE-ZFWWWQNUSA-N 1 0 292.423 2.278 20 10 CECDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ccccc1O ZINC000866466074 647796236 /nfs/dbraw/zinc/79/62/36/647796236.db2.gz YUYLSYJPFRCTQO-DKCNOQQISA-N 1 0 263.259 2.355 20 10 CECDRO COC[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000784668565 647873957 /nfs/dbraw/zinc/87/39/57/647873957.db2.gz QLZGUCKJTKYALC-OCCSQVGLSA-N 1 0 296.386 2.127 20 10 CECDRO CC[C@]1(C)C[N@H+](Cc2c(O)cccc2OC)CCO1 ZINC000785984556 647975584 /nfs/dbraw/zinc/97/55/84/647975584.db2.gz LLFXIMUEDWFFKJ-OAHLLOKOSA-N 1 0 265.353 2.402 20 10 CECDRO CC[N@H+](CCNC(=O)N[C@H](C)c1ccccc1O)C(C)C ZINC000868218264 648075276 /nfs/dbraw/zinc/07/52/76/648075276.db2.gz CAYLZERXWDYPAW-CYBMUJFWSA-N 1 0 293.411 2.483 20 10 CECDRO C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)[N@H+](C)C1CC1 ZINC000868371833 648110420 /nfs/dbraw/zinc/11/04/20/648110420.db2.gz HMXKCWXCBKMMFM-NEPJUHHUSA-N 1 0 291.395 2.235 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CCOC(C)C)c1 ZINC000788276740 648168922 /nfs/dbraw/zinc/16/89/22/648168922.db2.gz UYANTEQZFMHQDV-CHWSQXEVSA-N 1 0 297.395 2.227 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC1(SC)CC1 ZINC000788524863 648198347 /nfs/dbraw/zinc/19/83/47/648198347.db2.gz XAVGEBJGHOIPSI-UHFFFAOYSA-N 1 0 253.367 2.386 20 10 CECDRO COCCOCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788564984 648203018 /nfs/dbraw/zinc/20/30/18/648203018.db2.gz USUPMHNHBHARQV-ZDUSSCGKSA-N 1 0 267.369 2.323 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)COCC2CC2)c(O)c1 ZINC000788584285 648205045 /nfs/dbraw/zinc/20/50/45/648205045.db2.gz NIFVZRJSEJXWJR-UKRRQHHQSA-N 1 0 293.407 2.447 20 10 CECDRO Fc1cc(C[NH2+]CC2(F)CC2)ccc1N1CCOCC1 ZINC000792919242 648687720 /nfs/dbraw/zinc/68/77/20/648687720.db2.gz CLMMPUVLEIDARB-UHFFFAOYSA-N 1 0 282.334 2.254 20 10 CECDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(C)cc2O)CCOC1 ZINC000123157271 648826432 /nfs/dbraw/zinc/82/64/32/648826432.db2.gz DRQKFDKWMQODBT-SWLSCSKDSA-N 1 0 265.353 2.157 20 10 CECDRO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)c1ccccc1O ZINC000870988058 648971098 /nfs/dbraw/zinc/97/10/98/648971098.db2.gz FIWQKTOWWLLCEI-HZMBPMFUSA-N 1 0 250.342 2.087 20 10 CECDRO C[C@H](NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)c1ccccc1O ZINC000870988488 648971186 /nfs/dbraw/zinc/97/11/86/648971186.db2.gz QRXBUGPRYXNQGP-BPNCWPANSA-N 1 0 274.364 2.100 20 10 CECDRO C[C@@H](NC(=O)CCCCCC[NH3+])c1ccccc1O ZINC000870988531 648971340 /nfs/dbraw/zinc/97/13/40/648971340.db2.gz RUUBXYVSHBEVCF-GFCCVEGCSA-N 1 0 264.369 2.479 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3CSC[C@@H]3C1)OCO2 ZINC000872723533 649469445 /nfs/dbraw/zinc/46/94/45/649469445.db2.gz ZOWNJQTVXGAXIB-PWSUYJOCSA-N 1 0 293.388 2.306 20 10 CECDRO CCCOc1ccc(C[NH2+]CC2(O)CCOCC2)cc1C ZINC000873041355 649540226 /nfs/dbraw/zinc/54/02/26/649540226.db2.gz GVBCUTXRPHNNEC-UHFFFAOYSA-N 1 0 293.407 2.415 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@](C)(O)COC)cc1C ZINC000873052187 649544757 /nfs/dbraw/zinc/54/47/57/649544757.db2.gz SBPOVSIDOZUCGD-INIZCTEOSA-N 1 0 281.396 2.271 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H](C)C(=O)N(C)C)cc1C ZINC000873072717 649551467 /nfs/dbraw/zinc/55/14/67/649551467.db2.gz YWHMTDIEFMXQDR-CYBMUJFWSA-N 1 0 278.396 2.350 20 10 CECDRO CCCOc1ccc(C[NH2+][C@]2(CO)CCOC2)cc1C ZINC000873105435 649558897 /nfs/dbraw/zinc/55/88/97/649558897.db2.gz WCKRYOPIKVFBFO-INIZCTEOSA-N 1 0 279.380 2.025 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1C ZINC000873143504 649568791 /nfs/dbraw/zinc/56/87/91/649568791.db2.gz LTPJUXOUACVQSR-HDJSIYSDSA-N 1 0 276.380 2.137 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1O ZINC000873157172 649574541 /nfs/dbraw/zinc/57/45/41/649574541.db2.gz SQCNVBCXDZJCIL-UBHSHLNASA-N 1 0 277.364 2.448 20 10 CECDRO Oc1ccc(Cl)cc1CN[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230794 649602855 /nfs/dbraw/zinc/60/28/55/649602855.db2.gz YDPRVNWGZIYVND-ZIAGYGMSSA-N 1 0 266.772 2.420 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC000874085337 649745840 /nfs/dbraw/zinc/74/58/40/649745840.db2.gz ZKNCHPPLQDNBKO-UHFFFAOYSA-N 1 0 289.423 2.245 20 10 CECDRO COC(=O)C1=C(C)O[C@H](C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000879650564 651335837 /nfs/dbraw/zinc/33/58/37/651335837.db2.gz HLROBAHRULPZJD-JQWIXIFHSA-N 1 0 291.347 2.279 20 10 CECDRO CC1(C)[C@H]([NH2+]Cc2c(O)cccc2Cl)C[C@@H]1O ZINC000128335878 651420522 /nfs/dbraw/zinc/42/05/22/651420522.db2.gz NCNRIPJIRZTOBQ-NEPJUHHUSA-N 1 0 255.745 2.295 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCOC[C@@H]2OC)cc1 ZINC000880438151 651441090 /nfs/dbraw/zinc/44/10/90/651441090.db2.gz XRMRCNHPFUOKCE-IRXDYDNUSA-N 1 0 292.423 2.378 20 10 CECDRO Cc1cc(C[N@@H+]2[C@H](C)CC[C@@H]2CO)ccc1N(C)C ZINC000880443475 651441865 /nfs/dbraw/zinc/44/18/65/651441865.db2.gz JCGURJOXCCGHQV-UKRRQHHQSA-N 1 0 262.397 2.406 20 10 CECDRO CN(C)c1ccc(Cn2cc([C@@H]([NH3+])C(C)(C)C)nn2)cc1 ZINC000881272176 651657910 /nfs/dbraw/zinc/65/79/10/651657910.db2.gz PGHIHZJNUNZZDH-OAHLLOKOSA-N 1 0 287.411 2.438 20 10 CECDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)ncn1 ZINC000882880002 652246464 /nfs/dbraw/zinc/24/64/64/652246464.db2.gz XMFMDHZVMFUJPC-UHFFFAOYSA-N 1 0 297.406 2.149 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000883158242 652382855 /nfs/dbraw/zinc/38/28/55/652382855.db2.gz ZFNKTTFFYXBVLJ-JLLWLGSASA-N 1 0 255.264 2.080 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccncc3N)C2)cc1 ZINC000883165939 652386094 /nfs/dbraw/zinc/38/60/94/652386094.db2.gz PEFOWVVQJBAPCJ-CQSZACIVSA-N 1 0 298.390 2.041 20 10 CECDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CCCOC1 ZINC000883352422 652438836 /nfs/dbraw/zinc/43/88/36/652438836.db2.gz AMWLMRLRSBAQMQ-YPMHNXCESA-N 1 0 293.363 2.416 20 10 CECDRO C[C@H]([NH3+])c1ccc(NCCc2cc(O)c(O)cc2O)cc1 ZINC001168006433 805661724 /nfs/dbraw/zinc/66/17/24/805661724.db2.gz VUHUHHARKWDHAO-JTQLQIEISA-N 1 0 288.347 2.478 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@@](C)([NH3+])C2)cc1 ZINC001204762776 805743811 /nfs/dbraw/zinc/74/38/11/805743811.db2.gz DIQRAVIZHNANLZ-MRXNPFEDSA-N 1 0 261.413 2.456 20 10 CECDRO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](O)C1CC1 ZINC001117637661 814933863 /nfs/dbraw/zinc/93/38/63/814933863.db2.gz HDRVWHGMYSQUCP-KRWDZBQOSA-N 1 0 274.408 2.490 20 10 CECDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000693156724 802680517 /nfs/dbraw/zinc/68/05/17/802680517.db2.gz VAVUUDFQNNLWJD-LLVKDONJSA-N 1 0 253.317 2.436 20 10 CECDRO OC[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCC1(F)F ZINC001140461957 802936201 /nfs/dbraw/zinc/93/62/01/802936201.db2.gz ZZURHMBQJYTWMF-SNVBAGLBSA-N 1 0 291.725 2.495 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000724586650 803181513 /nfs/dbraw/zinc/18/15/13/803181513.db2.gz PQRUIKKWDGNGMO-ZWUHOBOKSA-N 1 0 277.364 2.155 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c1 ZINC001140622854 803245475 /nfs/dbraw/zinc/24/54/75/803245475.db2.gz BZYOWZZVTVTQCR-INIZCTEOSA-N 1 0 275.348 2.372 20 10 CECDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000724872450 803327296 /nfs/dbraw/zinc/32/72/96/803327296.db2.gz LLMXUUUSYPHGON-NJZAAPMLSA-N 1 0 265.353 2.155 20 10 CECDRO COC[C@H](CC[NH2+][C@H](C)c1cc(OC)ccc1O)OC ZINC000694363096 803539310 /nfs/dbraw/zinc/53/93/10/803539310.db2.gz XYAIOXXBKBVNIO-YPMHNXCESA-N 1 0 283.368 2.103 20 10 CECDRO COC[C@@H](CC[NH2+][C@H](C)c1ccc(N(C)C)cc1)OC ZINC000694362281 803539571 /nfs/dbraw/zinc/53/95/71/803539571.db2.gz VQWBFQVFWCYXLX-CZUORRHYSA-N 1 0 280.412 2.455 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCS2(=O)=O)c(O)c1 ZINC000694591106 803570992 /nfs/dbraw/zinc/57/09/92/803570992.db2.gz RLFWRPMCWZGMAS-QWHCGFSZSA-N 1 0 297.420 2.319 20 10 CECDRO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001140850011 803583479 /nfs/dbraw/zinc/58/34/79/803583479.db2.gz ABZNKNBKXVXUEA-LRDDRELGSA-N 1 0 278.396 2.051 20 10 CECDRO CC(C)c1nc(CC[N@H+](C)Cc2cc(O)ccc2O)no1 ZINC001141156550 803758083 /nfs/dbraw/zinc/75/80/83/803758083.db2.gz MXYLZJYAPZLTSV-UHFFFAOYSA-N 1 0 291.351 2.279 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c1O ZINC000722331131 804297166 /nfs/dbraw/zinc/29/71/66/804297166.db2.gz ARMGLCPYMAHOPI-ZIAGYGMSSA-N 1 0 277.364 2.448 20 10 CECDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000037126598 815012603 /nfs/dbraw/zinc/01/26/03/815012603.db2.gz FREOPVUQABEYJX-VXGBXAGGSA-N 1 0 294.395 2.308 20 10 CECDRO Cc1cc(C[NH2+]Cc2ccc(Br)cc2O)[nH]n1 ZINC000716457918 815125726 /nfs/dbraw/zinc/12/57/26/815125726.db2.gz DSMYEKRECSDHJT-UHFFFAOYSA-N 1 0 296.168 2.476 20 10 CECDRO CC[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccccc1O ZINC000716775028 815146310 /nfs/dbraw/zinc/14/63/10/815146310.db2.gz PSNRITTVXIRHTF-JQWIXIFHSA-N 1 0 259.296 2.449 20 10 CECDRO Oc1cc(Cl)c(Cl)cc1CN1CC[NH2+][C@@H]2C[C@@H]21 ZINC001235289875 807809285 /nfs/dbraw/zinc/80/92/85/807809285.db2.gz JTXSAJRSGBLKBC-MNOVXSKESA-N 1 0 273.163 2.245 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1O ZINC000691490646 807904401 /nfs/dbraw/zinc/90/44/01/807904401.db2.gz YUGOLPNGYPTWCI-DZGCQCFKSA-N 1 0 277.364 2.448 20 10 CECDRO [NH3+][C@@]12CC[C@H]1CN(Cc1c(O)cccc1Br)C2 ZINC001235998750 807917198 /nfs/dbraw/zinc/91/71/98/807917198.db2.gz ZICVQWMUSHNBHM-TVQRCGJNSA-N 1 0 297.196 2.078 20 10 CECDRO COc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001236809700 808169666 /nfs/dbraw/zinc/16/96/66/808169666.db2.gz ZVWWIBFYNFOTAX-MFKMUULPSA-N 1 0 253.317 2.499 20 10 CECDRO CCN(CC)c1ccc(CN(C)C[C@H](C)[NH3+])c(O)c1 ZINC001236900042 808183320 /nfs/dbraw/zinc/18/33/20/808183320.db2.gz OFTPBFRESWEVKL-LBPRGKRZSA-N 1 0 265.401 2.017 20 10 CECDRO COC(=O)C[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC001237492402 808221502 /nfs/dbraw/zinc/22/15/02/808221502.db2.gz OMPCQMKXSKPMSI-CYBMUJFWSA-N 1 0 277.364 2.476 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)C2(C)CC2)cc1C ZINC001127839830 808520909 /nfs/dbraw/zinc/52/09/09/808520909.db2.gz QOYHYYOISADCGM-UHFFFAOYSA-N 1 0 276.380 2.010 20 10 CECDRO c1cc(C[NH2+][C@@H]2CCCC3(C2)OCCO3)cc2c1OCC2 ZINC000715778728 809070140 /nfs/dbraw/zinc/07/01/40/809070140.db2.gz QJANKEZHCKZQQU-OAHLLOKOSA-N 1 0 289.375 2.397 20 10 CECDRO COC[C@H](CC[NH2+][C@@H](C)c1cc(C)ccc1O)OC ZINC000694308451 809281474 /nfs/dbraw/zinc/28/14/74/809281474.db2.gz HTZMDIZDVLUYKO-STQMWFEESA-N 1 0 267.369 2.403 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]2SC)c(O)c1 ZINC000701992617 809483656 /nfs/dbraw/zinc/48/36/56/809483656.db2.gz KTWPPHKEGDEXSR-YPMHNXCESA-N 1 0 253.367 2.384 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](OC)C2)c1O ZINC000706492648 809827737 /nfs/dbraw/zinc/82/77/37/809827737.db2.gz UAVRISVDWKAPAM-HAQNSBGRSA-N 1 0 251.326 2.058 20 10 CECDRO C[C@H]1COC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706805240 809854522 /nfs/dbraw/zinc/85/45/22/809854522.db2.gz TXSTZJIDCJATPI-GZMMTYOYSA-N 1 0 286.169 2.279 20 10 CECDRO CCC[C@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000706875337 809859550 /nfs/dbraw/zinc/85/95/50/809859550.db2.gz VKFPIMKIACOROG-VIFPVBQESA-N 1 0 288.185 2.405 20 10 CECDRO C[C@H]([NH2+][C@H]1CCN2C(=O)CC[C@H]2C1)c1ccccc1O ZINC001172164506 815326406 /nfs/dbraw/zinc/32/64/06/815326406.db2.gz BIDDXRQBMDGASI-AVGNSLFASA-N 1 0 274.364 2.196 20 10 CECDRO C[N@@H+](Cc1cc(F)cc(F)c1[O-])C[C@H]1CCC[NH+](C)C1 ZINC000708412588 809929845 /nfs/dbraw/zinc/92/98/45/809929845.db2.gz JPJSXFCWGOCLDL-NSHDSACASA-N 1 0 284.350 2.444 20 10 CECDRO C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708555268 809944961 /nfs/dbraw/zinc/94/49/61/809944961.db2.gz NKUWDLJEXUMMNO-LLVKDONJSA-N 1 0 284.350 2.492 20 10 CECDRO Oc1cc2c(cc1O)C[N@@H+](C1C[C@@H]3C=C[C@H](C1)O3)CCC2 ZINC001172244923 815356901 /nfs/dbraw/zinc/35/69/01/815356901.db2.gz UOAUFGJKYVHCHX-GOOCMWNKSA-N 1 0 287.359 2.332 20 10 CECDRO CN(Cc1cn(C)nn1)Cc1c(O)ccc2ccccc21 ZINC001118595481 810317730 /nfs/dbraw/zinc/31/77/30/810317730.db2.gz WWMNWLMAVMUZIT-UHFFFAOYSA-N 1 0 282.347 2.306 20 10 CECDRO C[NH2+]CCCCC(=O)NCCCSc1nccs1 ZINC001121875924 815362060 /nfs/dbraw/zinc/36/20/60/815362060.db2.gz KXFUTTKAZYPJEX-UHFFFAOYSA-N 1 0 287.454 2.131 20 10 CECDRO CC(C)(F)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000698342758 810427047 /nfs/dbraw/zinc/42/70/47/810427047.db2.gz PKKATZYYZKIBOI-UHFFFAOYSA-N 1 0 255.289 2.349 20 10 CECDRO COc1ccc2c(c1)N(C(=O)C1=CCC[NH2+]CC1)CCC2 ZINC001122075359 815381958 /nfs/dbraw/zinc/38/19/58/815381958.db2.gz LVDQJVPGEJXPJV-UHFFFAOYSA-N 1 0 286.375 2.284 20 10 CECDRO C[C@H](NC(=O)C[C@H]([NH3+])C(C)(C)C)c1ccccc1O ZINC001122114473 815386105 /nfs/dbraw/zinc/38/61/05/815386105.db2.gz KCBYXADTFDEYQN-GWCFXTLKSA-N 1 0 264.369 2.333 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1O ZINC001168977157 811306851 /nfs/dbraw/zinc/30/68/51/811306851.db2.gz IKVJRLGUQSKPPG-SRVKXCTJSA-N 1 0 264.325 2.488 20 10 CECDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691455880 811861214 /nfs/dbraw/zinc/86/12/14/811861214.db2.gz RTDQSOCOTUHEFF-IUCAKERBSA-N 1 0 288.185 2.261 20 10 CECDRO CCc1cccc(C[NH2+]C2CCN(C(C)=O)CC2)c1O ZINC000691459614 811861584 /nfs/dbraw/zinc/86/15/84/811861584.db2.gz LBQLNYUIFUGIGS-UHFFFAOYSA-N 1 0 276.380 2.055 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1O ZINC000691461643 811862462 /nfs/dbraw/zinc/86/24/62/811862462.db2.gz JVALWFIJOUZTDA-GXTWGEPZSA-N 1 0 263.337 2.058 20 10 CECDRO CCc1cccc(C[NH2+][C@H](CCO)C(C)C)c1O ZINC000691483481 811925193 /nfs/dbraw/zinc/92/51/93/811925193.db2.gz PJWMSQAYUAWGBX-CQSZACIVSA-N 1 0 251.370 2.451 20 10 CECDRO CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1ccc(O)cc1O ZINC001172744039 815500345 /nfs/dbraw/zinc/50/03/45/815500345.db2.gz MXHJPJBEFHKIEV-NSHDSACASA-N 1 0 281.352 2.308 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2O)CC1 ZINC001172777335 815518452 /nfs/dbraw/zinc/51/84/52/815518452.db2.gz PRSODUAFJGSOCW-DGCLKSJQSA-N 1 0 293.363 2.309 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000384667584 813122094 /nfs/dbraw/zinc/12/20/94/813122094.db2.gz XHACOWAOIVRXHB-GBIKHYSHSA-N 1 0 251.326 2.056 20 10 CECDRO CO[C@@H]([C@@H](C)[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000388278592 813234706 /nfs/dbraw/zinc/23/47/06/813234706.db2.gz KNCIOTGZYAIBOL-OTYXRUKQSA-N 1 0 253.317 2.434 20 10 CECDRO COCC[C@H](COC)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000388819742 813243070 /nfs/dbraw/zinc/24/30/70/813243070.db2.gz WEMMABSEGLQYHP-QWHCGFSZSA-N 1 0 267.369 2.403 20 10 CECDRO Cc1cc(CN2CCNC(=O)[C@H]2C(C)C)ccc1N(C)C ZINC000815045029 813334357 /nfs/dbraw/zinc/33/43/57/813334357.db2.gz MRQSMOHTOQIYTA-MRXNPFEDSA-N 1 0 289.423 2.017 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)C(C)C)c1 ZINC000394028001 813334465 /nfs/dbraw/zinc/33/44/65/813334465.db2.gz IFBNLBJBWGTOMR-NEPJUHHUSA-N 1 0 267.369 2.316 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CC2=CCOCC2)c1O ZINC000397785267 813637309 /nfs/dbraw/zinc/63/73/09/813637309.db2.gz QDXNQFSGJLDMAM-UHFFFAOYSA-N 1 0 283.755 2.491 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccc2ccccc2c1O ZINC000398338365 813669379 /nfs/dbraw/zinc/66/93/79/813669379.db2.gz JLCRFZYAPUBQCZ-RYUDHWBXSA-N 1 0 284.359 2.332 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCc3ccsc3C2)c(O)c1 ZINC001144508936 814096636 /nfs/dbraw/zinc/09/66/36/814096636.db2.gz DVONHXPOVYRTJU-UHFFFAOYSA-N 1 0 277.345 2.423 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@@H](OC)C1 ZINC001116748881 814879528 /nfs/dbraw/zinc/87/95/28/814879528.db2.gz ZGOVNYLFVSEREP-GHMZBOCLSA-N 1 0 251.326 2.058 20 10 CECDRO C[NH+](C)C1CCN(Cc2c(O)cccc2F)CC1 ZINC001137831722 815690193 /nfs/dbraw/zinc/69/01/93/815690193.db2.gz LDSVVRDYFRQCNS-UHFFFAOYSA-N 1 0 252.333 2.057 20 10 CECDRO [O-]c1c(F)cccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001138122560 815731648 /nfs/dbraw/zinc/73/16/48/815731648.db2.gz MYIINTNARZXUFN-UHFFFAOYSA-N 1 0 287.338 2.249 20 10 CECDRO C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CC[C@]1(C)O ZINC001138123805 815732204 /nfs/dbraw/zinc/73/22/04/815732204.db2.gz MTEUBPAKYDLYDT-HZMBPMFUSA-N 1 0 253.317 2.124 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H]3CO)ccc21 ZINC001138354691 815774424 /nfs/dbraw/zinc/77/44/24/815774424.db2.gz QAARGKNVIQKZDX-OAHLLOKOSA-N 1 0 260.381 2.026 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)C2)c(OC)c1 ZINC001138387997 815786545 /nfs/dbraw/zinc/78/65/45/815786545.db2.gz NZEGBWRYUQLOMG-OAHLLOKOSA-N 1 0 278.396 2.108 20 10 CECDRO C[NH+](C)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138676016 815865675 /nfs/dbraw/zinc/86/56/75/815865675.db2.gz VLUITHBEIOXXSZ-UHFFFAOYSA-N 1 0 299.212 2.347 20 10 CECDRO O=C1CCC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3O)C2)N1 ZINC001140053777 816177808 /nfs/dbraw/zinc/17/78/08/816177808.db2.gz CWPQVARGYNSGST-INIZCTEOSA-N 1 0 292.354 2.166 20 10 CECDRO CC(=O)N1CC[C@H]([N@@H+](Cc2cc(F)ccc2O)C(C)C)C1 ZINC001140059959 816180451 /nfs/dbraw/zinc/18/04/51/816180451.db2.gz CUIMJFWXTXGHGB-HNNXBMFYSA-N 1 0 294.370 2.363 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2CCc3nccn3CC2)c1O ZINC001140183691 816205447 /nfs/dbraw/zinc/20/54/47/816205447.db2.gz GUFNEDHEHDXILL-UHFFFAOYSA-N 1 0 271.364 2.264 20 10 CECDRO C[N@@H+]1CC[C@@H]2C[NH+](Cc3c([O-])cc(F)cc3F)C[C@@H]2C1 ZINC001140581108 816290385 /nfs/dbraw/zinc/29/03/85/816290385.db2.gz LWLKMBZMCWLJPP-MNOVXSKESA-N 1 0 282.334 2.054 20 10 CECDRO [O-]c1cc(F)cc(F)c1C[NH+]1CCC2(CC1)OCCO2 ZINC001140580691 816291350 /nfs/dbraw/zinc/29/13/50/816291350.db2.gz CUIOEBISVUWXMD-UHFFFAOYSA-N 1 0 285.290 2.009 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@](F)(CO)CC2)c1 ZINC001140619546 816304680 /nfs/dbraw/zinc/30/46/80/816304680.db2.gz GYDXNAUZOHJPDT-OAHLLOKOSA-N 1 0 267.344 2.387 20 10 CECDRO Cc1c(O)ccc(C[N@H+](C)Cc2ccccn2)c1O ZINC001140742636 816339401 /nfs/dbraw/zinc/33/94/01/816339401.db2.gz SUMXGDZTRBMRDP-UHFFFAOYSA-N 1 0 258.321 2.433 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC3(C2)CCOCC3)c1O ZINC001140746017 816340520 /nfs/dbraw/zinc/34/05/20/816340520.db2.gz SGKNZQQKITYAIY-UHFFFAOYSA-N 1 0 277.364 2.409 20 10 CECDRO Cc1c(O)ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1O ZINC001140745314 816340816 /nfs/dbraw/zinc/34/08/16/816340816.db2.gz FIGRNQKLOQGQBK-CQSZACIVSA-N 1 0 276.380 2.076 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1O ZINC001140747506 816341184 /nfs/dbraw/zinc/34/11/84/816341184.db2.gz CGFWQGNTMQYDIH-CNDDSTCGSA-N 1 0 251.301 2.054 20 10 CECDRO CCN(CC)c1ccc(C[NH+]2CC3(CC(O)C3)C2)c(O)c1 ZINC001140850833 816382654 /nfs/dbraw/zinc/38/26/54/816382654.db2.gz WBJFRBGODYHHHM-UHFFFAOYSA-N 1 0 290.407 2.195 20 10 CECDRO COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140950929 816423640 /nfs/dbraw/zinc/42/36/40/816423640.db2.gz PMDNJVFKVGYXJV-JSGCOSHPSA-N 1 0 277.364 2.332 20 10 CECDRO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c(O)c1 ZINC001140954073 816423898 /nfs/dbraw/zinc/42/38/98/816423898.db2.gz KQCUYPDIZXMPHZ-UKRRQHHQSA-N 1 0 288.391 2.143 20 10 CECDRO COc1cc(O)c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c(OC)c1 ZINC001141026489 816448993 /nfs/dbraw/zinc/44/89/93/816448993.db2.gz SLHJLZYDTFJLFR-HAQNSBGRSA-N 1 0 295.379 2.145 20 10 CECDRO CCN(CCC[NH+](C)C)Cc1c(O)cc(OC)cc1OC ZINC001141030956 816451315 /nfs/dbraw/zinc/45/13/15/816451315.db2.gz SDJLTFSRCMPEFV-UHFFFAOYSA-N 1 0 296.411 2.183 20 10 CECDRO CC[N@H+](Cc1c(O)cc(OC)cc1OC)C1CC1 ZINC001141031917 816452064 /nfs/dbraw/zinc/45/20/64/816452064.db2.gz NQORZBFBOPZOBI-UHFFFAOYSA-N 1 0 251.326 2.394 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@]34CCOC4)ccc21 ZINC001141144779 816484843 /nfs/dbraw/zinc/48/48/43/816484843.db2.gz KOJYTZKRCVKVRU-QGZVFWFLSA-N 1 0 288.391 2.270 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC001141159798 816490795 /nfs/dbraw/zinc/49/07/95/816490795.db2.gz KLUVEYWVMZIYSD-VIFPVBQESA-N 1 0 261.243 2.482 20 10 CECDRO CCOC(=O)CC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141158300 816490875 /nfs/dbraw/zinc/49/08/75/816490875.db2.gz XYIKHAHLSOJDKV-UHFFFAOYSA-N 1 0 293.363 2.263 20 10 CECDRO Oc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1 ZINC001141160539 816491406 /nfs/dbraw/zinc/49/14/06/816491406.db2.gz YRLIUMFSTXSRQR-FUHWJXTLSA-N 1 0 299.370 2.276 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nncn2C)c(O)c1 ZINC000037016329 361882947 /nfs/dbraw/zinc/88/29/47/361882947.db2.gz XQLGGOPIOYJTTG-QWRGUYRKSA-N 1 0 260.341 2.241 20 10 CECDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037273386 361901921 /nfs/dbraw/zinc/90/19/21/361901921.db2.gz RQFSOJJWCMUCQC-CABCVRRESA-N 1 0 291.439 2.124 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)OCO2 ZINC000284025535 344677980 /nfs/dbraw/zinc/67/79/80/344677980.db2.gz IFRGIFZBKWDIBU-TZMCWYRMSA-N 1 0 291.347 2.264 20 10 CECDRO C[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000134925616 366375054 /nfs/dbraw/zinc/37/50/54/366375054.db2.gz PBUYEHVRCDLXQT-YUMQZZPRSA-N 1 0 274.158 2.186 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000237084600 370688921 /nfs/dbraw/zinc/68/89/21/370688921.db2.gz HABBEUDMPORGCH-QGZVFWFLSA-N 1 0 297.402 2.111 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)c(O)c1 ZINC000020120755 361581780 /nfs/dbraw/zinc/58/17/80/361581780.db2.gz FKYJOJANCMMKQG-CQSZACIVSA-N 1 0 292.423 2.462 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)CN1CCOCC1 ZINC000091587909 364070816 /nfs/dbraw/zinc/07/08/16/364070816.db2.gz FYENVMHZJFSOBO-OAHLLOKOSA-N 1 0 292.423 2.325 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)CN1CCOCC1 ZINC000091587908 364070999 /nfs/dbraw/zinc/07/09/99/364070999.db2.gz FYENVMHZJFSOBO-HNNXBMFYSA-N 1 0 292.423 2.325 20 10 CECDRO C[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2O)C1 ZINC000111236479 364726129 /nfs/dbraw/zinc/72/61/29/364726129.db2.gz RPFFRVNXDPJMMV-ZDUSSCGKSA-N 1 0 276.380 2.083 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2c(C)nn(C)c2C)c1O ZINC000112018087 364769123 /nfs/dbraw/zinc/76/91/23/364769123.db2.gz QZGYUJXQUIVNGD-UHFFFAOYSA-N 1 0 289.379 2.431 20 10 CECDRO OCCCSCC[NH2+]Cc1c(O)cccc1Cl ZINC000113338242 364888741 /nfs/dbraw/zinc/88/87/41/364888741.db2.gz LYQGMPQPUIJUES-UHFFFAOYSA-N 1 0 275.801 2.251 20 10 CECDRO CC1CCN(c2ccc(CNC(=O)C3([NH3+])CC3)cc2)CC1 ZINC000167858314 367343708 /nfs/dbraw/zinc/34/37/08/367343708.db2.gz QBZGQYWVWOPMDB-UHFFFAOYSA-N 1 0 287.407 2.030 20 10 CECDRO Cc1cccc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c1O ZINC000179796491 368351519 /nfs/dbraw/zinc/35/15/19/368351519.db2.gz OZLBEIYORLOVFX-UHFFFAOYSA-N 1 0 290.407 2.391 20 10 CECDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(O)c1O ZINC000187091505 369099510 /nfs/dbraw/zinc/09/95/10/369099510.db2.gz KEDIIYMBFGKJIV-GFCCVEGCSA-N 1 0 292.379 2.092 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)ccc1OC ZINC000188798060 369411083 /nfs/dbraw/zinc/41/10/83/369411083.db2.gz BQZRTTGQBJWDOH-HOCLYGCPSA-N 1 0 293.407 2.482 20 10 CECDRO CC[N@@H+](Cc1cc(F)ccc1O)C[C@H](O)C(F)(F)F ZINC000189880063 369575794 /nfs/dbraw/zinc/57/57/94/369575794.db2.gz WTFYOCGXODQDBT-NSHDSACASA-N 1 0 281.249 2.276 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000189958890 369583546 /nfs/dbraw/zinc/58/35/46/369583546.db2.gz RBFISSNDQXNUTJ-SWLSCSKDSA-N 1 0 279.380 2.432 20 10 CECDRO COC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@H](C)O1 ZINC000190214893 369605166 /nfs/dbraw/zinc/60/51/66/369605166.db2.gz CKTBPRCVQOILND-ZFWWWQNUSA-N 1 0 279.380 2.245 20 10 CECDRO CC[C@]1(CO)CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000190217173 369605275 /nfs/dbraw/zinc/60/52/75/369605275.db2.gz WXWXYZWBWQMLIO-INIZCTEOSA-N 1 0 279.380 2.385 20 10 CECDRO CCN1CCCN(Cc2cc(Cl)ccc2O)CC1=O ZINC000191538033 369721541 /nfs/dbraw/zinc/72/15/41/369721541.db2.gz XWPXEGQQXDOVDL-UHFFFAOYSA-N 1 0 282.771 2.100 20 10 CECDRO CCN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccc(OC)c(OC)c1 ZINC000637930810 370179429 /nfs/dbraw/zinc/17/94/29/370179429.db2.gz AFASTHTTWCKPQR-GFCCVEGCSA-N 1 0 290.363 2.104 20 10 CECDRO CCCN(CC)CC[NH2+]Cc1cc(F)ccc1O ZINC000226613974 370348954 /nfs/dbraw/zinc/34/89/54/370348954.db2.gz RRUCBQMFQRTODX-UHFFFAOYSA-N 1 0 254.349 2.353 20 10 CECDRO COC[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1O)OC ZINC000230672153 370462528 /nfs/dbraw/zinc/46/25/28/370462528.db2.gz JXJSSYPIJARHBM-VXGBXAGGSA-N 1 0 253.342 2.013 20 10 CECDRO COc1ccc2c(c1)N(C(=O)C1=CC[C@H]([NH3+])C1)CCC2 ZINC000638425219 370520983 /nfs/dbraw/zinc/52/09/83/370520983.db2.gz MQGZJKUWWPOQNE-ZDUSSCGKSA-N 1 0 272.348 2.022 20 10 CECDRO CN1CCc2cc(C[NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)ccc21 ZINC000250114730 371377514 /nfs/dbraw/zinc/37/75/14/371377514.db2.gz UGTKRYDGRZNCDX-UXLLHSPISA-N 1 0 272.392 2.336 20 10 CECDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000268709157 372188573 /nfs/dbraw/zinc/18/85/73/372188573.db2.gz FUEDKQBBZUJGPD-DOMZBBRYSA-N 1 0 277.412 2.318 20 10 CECDRO CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000268709158 372189320 /nfs/dbraw/zinc/18/93/20/372189320.db2.gz FUEDKQBBZUJGPD-IUODEOHRSA-N 1 0 277.412 2.318 20 10 CECDRO C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(N2CCOCC2)c(F)c1 ZINC000268877618 372267816 /nfs/dbraw/zinc/26/78/16/372267816.db2.gz KTNWCLICJFPSPF-QWHCGFSZSA-N 1 0 296.386 2.084 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(O)c1 ZINC000269351182 372426242 /nfs/dbraw/zinc/42/62/42/372426242.db2.gz KKQWSBWPXSEIHE-CYBMUJFWSA-N 1 0 279.380 2.385 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H]1O ZINC000270835112 372973649 /nfs/dbraw/zinc/97/36/49/372973649.db2.gz DDYJJRNICYVRPI-QMTHXVAHSA-N 1 0 297.782 2.451 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000271732875 373200826 /nfs/dbraw/zinc/20/08/26/373200826.db2.gz NOQYLLBNJINMBZ-SNVBAGLBSA-N 1 0 269.728 2.041 20 10 CECDRO Cc1cccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1O ZINC000271778725 373201296 /nfs/dbraw/zinc/20/12/96/373201296.db2.gz DDNCILACGNWPHC-CQSZACIVSA-N 1 0 277.364 2.476 20 10 CECDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccccc1O ZINC000368602871 373249072 /nfs/dbraw/zinc/24/90/72/373249072.db2.gz LIRYWQHBBSHGFY-HEHGZKQESA-N 1 0 277.364 2.381 20 10 CECDRO CCOCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000272360898 373448069 /nfs/dbraw/zinc/44/80/69/373448069.db2.gz NCZNXQAEJFMTDT-UHFFFAOYSA-N 1 0 254.349 2.360 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)CC(C)C)c1 ZINC000273408987 373755423 /nfs/dbraw/zinc/75/54/23/373755423.db2.gz PDDZRWCXZNRKOV-WCQYABFASA-N 1 0 295.379 2.236 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Cl)ccc1O ZINC000273480122 373759716 /nfs/dbraw/zinc/75/97/16/373759716.db2.gz LWPRGSSUKXYJCD-BMIGLBTASA-N 1 0 299.798 2.484 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)c(O)c1C ZINC000273549023 373762460 /nfs/dbraw/zinc/76/24/60/373762460.db2.gz FOFRBQRRQREMBV-WCQYABFASA-N 1 0 274.368 2.340 20 10 CECDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273563862 373764679 /nfs/dbraw/zinc/76/46/79/373764679.db2.gz IYBFXULVKCSSMX-GFCCVEGCSA-N 1 0 285.409 2.094 20 10 CECDRO CNC(=O)CCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273557639 373765335 /nfs/dbraw/zinc/76/53/35/373765335.db2.gz HCDOTNIVUMUEPH-GFCCVEGCSA-N 1 0 290.407 2.448 20 10 CECDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000273604685 373767082 /nfs/dbraw/zinc/76/70/82/373767082.db2.gz SVOUTIAQPNFXPD-KBPBESRZSA-N 1 0 278.396 2.072 20 10 CECDRO COCCN1CC[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000273599710 373767295 /nfs/dbraw/zinc/76/72/95/373767295.db2.gz RRKKIAYNCBUYTI-YPMHNXCESA-N 1 0 298.814 2.417 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ncnn2C)c1 ZINC000276744867 374285993 /nfs/dbraw/zinc/28/59/93/374285993.db2.gz ZODMBLMAHMAOOH-GHMZBOCLSA-N 1 0 260.341 2.241 20 10 CECDRO C[C@H](CO)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279536895 374909235 /nfs/dbraw/zinc/90/92/35/374909235.db2.gz AAXBBEUMWGNQTM-JTQLQIEISA-N 1 0 290.329 2.489 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccccc1O ZINC000283963453 375787690 /nfs/dbraw/zinc/78/76/90/375787690.db2.gz FBXJAAGVYPNIAF-OCCSQVGLSA-N 1 0 297.420 2.258 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1OC ZINC000289236823 376389636 /nfs/dbraw/zinc/38/96/36/376389636.db2.gz DJZGRXNPDOVMEI-RYUDHWBXSA-N 1 0 295.379 2.172 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000293651304 377678712 /nfs/dbraw/zinc/67/87/12/377678712.db2.gz LHVCMJMHDKWDNB-NEPJUHHUSA-N 1 0 294.395 2.027 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H](SC)C2)c1O ZINC000294910381 378028209 /nfs/dbraw/zinc/02/82/09/378028209.db2.gz ACMPLAWSZKSXKG-NSHDSACASA-N 1 0 253.367 2.338 20 10 CECDRO CN(Cc1ccccc1O)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000294944711 378031438 /nfs/dbraw/zinc/03/14/38/378031438.db2.gz CXENDGZVRFLVNN-GXTWGEPZSA-N 1 0 276.380 2.258 20 10 CECDRO COc1c(O)c(C[N@@H+]2CC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000294962958 378033175 /nfs/dbraw/zinc/03/31/75/378033175.db2.gz FAKAKJBXKKZBBE-SNVBAGLBSA-N 1 0 298.364 2.246 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000295091209 378040290 /nfs/dbraw/zinc/04/02/90/378040290.db2.gz RQJQQUAQBGRZRX-YPMHNXCESA-N 1 0 265.353 2.042 20 10 CECDRO CS[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000295086259 378040316 /nfs/dbraw/zinc/04/03/16/378040316.db2.gz QZOVSRIRRKULCW-JTQLQIEISA-N 1 0 267.350 2.058 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCCn1cccn1)CC2 ZINC000296064216 378407280 /nfs/dbraw/zinc/40/72/80/378407280.db2.gz RVFVPYASRHQQBC-CYBMUJFWSA-N 1 0 257.337 2.256 20 10 CECDRO CCNC(=O)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000296452221 378537472 /nfs/dbraw/zinc/53/74/72/378537472.db2.gz NJGLFBJBPCLUBU-ZDUSSCGKSA-N 1 0 288.391 2.276 20 10 CECDRO NC(=O)c1cccc(CC[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000296847786 378654777 /nfs/dbraw/zinc/65/47/77/378654777.db2.gz NBZQOARVIHZRSP-OAHLLOKOSA-N 1 0 296.370 2.311 20 10 CECDRO CCc1nnc([C@H](C)[NH2+][C@H]2CCc3cccc(O)c32)[nH]1 ZINC000297073410 378664832 /nfs/dbraw/zinc/66/48/32/378664832.db2.gz WLZYNSIBVQBIAH-ONGXEEELSA-N 1 0 272.352 2.411 20 10 CECDRO COCCCCC[NH2+]Cc1cccc(OC)c1O ZINC000227442491 394472597 /nfs/dbraw/zinc/47/25/97/394472597.db2.gz OWHWMDUQYAYABW-UHFFFAOYSA-N 1 0 253.342 2.307 20 10 CECDRO COc1cccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1O ZINC000093644613 394668430 /nfs/dbraw/zinc/66/84/30/394668430.db2.gz OMZBXQHDPSCQRE-TZMCWYRMSA-N 1 0 278.396 2.315 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000093611445 394668956 /nfs/dbraw/zinc/66/89/56/394668956.db2.gz KIKGAURDJBVFKY-ZDUSSCGKSA-N 1 0 288.313 2.252 20 10 CECDRO C[C@H](C(=O)NC1CCCC1)[N@H+](C)Cc1ccccc1O ZINC000109773410 394734901 /nfs/dbraw/zinc/73/49/01/394734901.db2.gz BFYANOCTDQCURM-GFCCVEGCSA-N 1 0 276.380 2.271 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000269261908 394716653 /nfs/dbraw/zinc/71/66/53/394716653.db2.gz WJZGMCDUYQKUNI-OAHLLOKOSA-N 1 0 277.412 2.132 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@]2(C)CCOC2)c1 ZINC000120159641 394776322 /nfs/dbraw/zinc/77/63/22/394776322.db2.gz MYTUKSVJHJJVMW-AWEZNQCLSA-N 1 0 251.326 2.060 20 10 CECDRO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(F)ccc1O ZINC000360675829 394805580 /nfs/dbraw/zinc/80/55/80/394805580.db2.gz XZLIZXLUKFBKIS-SWHYSGLUSA-N 1 0 292.354 2.150 20 10 CECDRO C[NH+](C)C[C@@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000271165238 394750221 /nfs/dbraw/zinc/75/02/21/394750221.db2.gz HEZIVFRBENUBJJ-NSHDSACASA-N 1 0 268.788 2.429 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000362035175 394842002 /nfs/dbraw/zinc/84/20/02/394842002.db2.gz ZOCZTKBQDHRTDN-SJORKVTESA-N 1 0 290.407 2.167 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CSCCS1)OCO2 ZINC000125227857 394842144 /nfs/dbraw/zinc/84/21/44/394842144.db2.gz BQALFBQRSMMLBP-SNVBAGLBSA-N 1 0 299.417 2.059 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000132767032 394936868 /nfs/dbraw/zinc/93/68/68/394936868.db2.gz UMEWJXSQKGUFIU-ZFWWWQNUSA-N 1 0 263.337 2.154 20 10 CECDRO COc1cccc(C[N@H+](C)C[C@H]2CCCO2)c1O ZINC000132961331 394941038 /nfs/dbraw/zinc/94/10/38/394941038.db2.gz NMSFPVYVMKFXIU-GFCCVEGCSA-N 1 0 251.326 2.012 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000135727780 394967955 /nfs/dbraw/zinc/96/79/55/394967955.db2.gz YUPUEWMBZUFQRZ-MNOVXSKESA-N 1 0 294.395 2.355 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000139744598 394972671 /nfs/dbraw/zinc/97/26/71/394972671.db2.gz XUKFFTPDMPYLRU-UHFFFAOYSA-N 1 0 287.338 2.249 20 10 CECDRO CN(C)c1ccc(C2=CC[N@H+](CC(C)(C)O)C2)cc1 ZINC000372800776 395047360 /nfs/dbraw/zinc/04/73/60/395047360.db2.gz JRYUZGVABMOKDI-UHFFFAOYSA-N 1 0 260.381 2.223 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@]2(CCOC2)O1 ZINC000373498661 395061961 /nfs/dbraw/zinc/06/19/61/395061961.db2.gz ZYPMJJNGZUFKNJ-WBVHZDCISA-N 1 0 291.391 2.471 20 10 CECDRO COC(=O)CCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000289938423 395091861 /nfs/dbraw/zinc/09/18/61/395091861.db2.gz WYKRDQNLNSEBCV-UHFFFAOYSA-N 1 0 277.364 2.445 20 10 CECDRO COc1cccc(C[NH2+]C2(C3CC3)CCOCC2)c1O ZINC000372084379 395034491 /nfs/dbraw/zinc/03/44/91/395034491.db2.gz UEJJXWWYKXKGEM-UHFFFAOYSA-N 1 0 277.364 2.450 20 10 CECDRO CC(C)(C)OC(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000174431307 395123945 /nfs/dbraw/zinc/12/39/45/395123945.db2.gz GBFPGULIIVQWDY-UHFFFAOYSA-N 1 0 277.364 2.443 20 10 CECDRO C[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[S@](=O)C1 ZINC000375950183 395106157 /nfs/dbraw/zinc/10/61/57/395106157.db2.gz ZWZBSUYJWDCDMM-MGNBDDOMSA-N 1 0 287.812 2.246 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000177874405 395158687 /nfs/dbraw/zinc/15/86/87/395158687.db2.gz XQXTVNCGSRXIQD-JKSUJKDBSA-N 1 0 289.423 2.462 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1O)C(C)(C)O ZINC000293731411 395249289 /nfs/dbraw/zinc/24/92/89/395249289.db2.gz UWGRYJPWUFKTQL-CQSZACIVSA-N 1 0 283.368 2.049 20 10 CECDRO O=C1CCCCN1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179581485 395196555 /nfs/dbraw/zinc/19/65/55/395196555.db2.gz HIJMEQKQFPPKLJ-UHFFFAOYSA-N 1 0 288.391 2.369 20 10 CECDRO C[C@H]1CN=C(N2CC[NH+](Cc3ccccc3O)CC2)S1 ZINC000179580005 395196957 /nfs/dbraw/zinc/19/69/57/395196957.db2.gz JHYRBPCEXMLIGX-LBPRGKRZSA-N 1 0 291.420 2.001 20 10 CECDRO C[C@@H]1CCSCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000189912479 395333341 /nfs/dbraw/zinc/33/33/41/395333341.db2.gz VVNHOSCDHRQQRX-SNVBAGLBSA-N 1 0 281.377 2.448 20 10 CECDRO C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)c1cc(F)ccc1O ZINC000367177468 227053122 /nfs/dbraw/zinc/05/31/22/227053122.db2.gz ALOXNNZVIFVWAT-LEWSCRJBSA-N 1 0 292.354 2.335 20 10 CECDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000155575407 261103783 /nfs/dbraw/zinc/10/37/83/261103783.db2.gz BDQHQHNQOLVWLL-CQSZACIVSA-N 1 0 276.380 2.049 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccccc1O ZINC000155587052 261103904 /nfs/dbraw/zinc/10/39/04/261103904.db2.gz VHMMPXHOLIFALG-OCCSQVGLSA-N 1 0 286.379 2.348 20 10 CECDRO CN(C)C(=O)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000162609229 261288451 /nfs/dbraw/zinc/28/84/51/261288451.db2.gz VCDZZXJHTMKHNV-UHFFFAOYSA-N 1 0 296.798 2.346 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc(N(C)C)cc1 ZINC000164174452 261342922 /nfs/dbraw/zinc/34/29/22/261342922.db2.gz FRSFEBDFPDWQQE-XJKSGUPXSA-N 1 0 287.411 2.474 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000185169580 262044492 /nfs/dbraw/zinc/04/44/92/262044492.db2.gz QNWNVKQQBOGDOZ-UKRRQHHQSA-N 1 0 265.353 2.184 20 10 CECDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1O)CC2 ZINC000185317423 262050905 /nfs/dbraw/zinc/05/09/05/262050905.db2.gz MEVRBKFAIOPGEU-AAEUAGOBSA-N 1 0 286.379 2.266 20 10 CECDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)cc1O)CC2 ZINC000185317980 262051141 /nfs/dbraw/zinc/05/11/41/262051141.db2.gz PXPFIGTYLHINSK-WCQYABFASA-N 1 0 286.379 2.266 20 10 CECDRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(F)ccc1O ZINC000185450210 262054856 /nfs/dbraw/zinc/05/48/56/262054856.db2.gz USKIPUSIAARWNK-GFCCVEGCSA-N 1 0 296.386 2.293 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(C)OCCO2)c1 ZINC000186211611 262084743 /nfs/dbraw/zinc/08/47/43/262084743.db2.gz VBPGXQUBBNSSSB-NSHDSACASA-N 1 0 251.326 2.114 20 10 CECDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000186520270 262096111 /nfs/dbraw/zinc/09/61/11/262096111.db2.gz YTLTYINZTHCIDD-RUULKOMLSA-N 1 0 265.353 2.379 20 10 CECDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000186982942 262119960 /nfs/dbraw/zinc/11/99/60/262119960.db2.gz MDOHMCYEQMYURK-UHFFFAOYSA-N 1 0 292.379 2.091 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCOC1 ZINC000135201725 264559445 /nfs/dbraw/zinc/55/94/45/264559445.db2.gz RUEGBRCWRXPLAD-HOCLYGCPSA-N 1 0 290.407 2.038 20 10 CECDRO CCCC(=O)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000367529033 267097510 /nfs/dbraw/zinc/09/75/10/267097510.db2.gz LVXNAOUVMXJKFZ-UHFFFAOYSA-N 1 0 276.380 2.227 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2O)CC12CCC2 ZINC000369649300 267257334 /nfs/dbraw/zinc/25/73/34/267257334.db2.gz QDIUQEOVSSDNEL-AWEZNQCLSA-N 1 0 289.375 2.476 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H](CO)C2)c1 ZINC000377244548 268058945 /nfs/dbraw/zinc/05/89/45/268058945.db2.gz XPUHFQQVWREPFF-CYBMUJFWSA-N 1 0 279.380 2.385 20 10 CECDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296401107 275763485 /nfs/dbraw/zinc/76/34/85/275763485.db2.gz KIDZLIZYCMALMO-DZGCQCFKSA-N 1 0 288.391 2.228 20 10 CECDRO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296095318 276174734 /nfs/dbraw/zinc/17/47/34/276174734.db2.gz UBHLPRDTZSMVCI-ZIAGYGMSSA-N 1 0 260.381 2.453 20 10 CECDRO CCOc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000127035179 276379904 /nfs/dbraw/zinc/37/99/04/276379904.db2.gz MBOLLHHPGPUJOY-TXEJJXNPSA-N 1 0 265.353 2.400 20 10 CECDRO Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@H]32)c1O ZINC000272625510 281216947 /nfs/dbraw/zinc/21/69/47/281216947.db2.gz MKGITCYIMNWNSH-DZGCQCFKSA-N 1 0 260.381 2.227 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000282342583 301654764 /nfs/dbraw/zinc/65/47/64/301654764.db2.gz OWMNLPZJLSXVMZ-BBATYDOGSA-N 1 0 267.394 2.262 20 10 CECDRO Cc1cccc(CN2CC[S@](=O)[C@H](C)[C@H]2C)c1O ZINC000271867440 328198656 /nfs/dbraw/zinc/19/86/56/328198656.db2.gz RLWTXIMDOHMRCH-FMTVUPSXSA-N 1 0 267.394 2.042 20 10 CECDRO CC(C)N1C[C@@H]([NH2+][C@H](C)c2ccccc2O)CC1=O ZINC000272910651 328201612 /nfs/dbraw/zinc/20/16/12/328201612.db2.gz WNMXMAYFZNAJBN-NEPJUHHUSA-N 1 0 262.353 2.052 20 10 CECDRO O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1O)N1CCCC1 ZINC000378379248 329047968 /nfs/dbraw/zinc/04/79/68/329047968.db2.gz SDIWKLRNQNTAGX-HNNXBMFYSA-N 1 0 288.391 2.369 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000378459978 329051602 /nfs/dbraw/zinc/05/16/02/329051602.db2.gz UZWFNWGBVYKCEK-GDBMZVCRSA-N 1 0 277.364 2.128 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000179397101 329205220 /nfs/dbraw/zinc/20/52/20/329205220.db2.gz DUEHJDLVQJNNFC-OAHLLOKOSA-N 1 0 290.407 2.134 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC23CC(C2)CO3)c1 ZINC000527790171 330283460 /nfs/dbraw/zinc/28/34/60/330283460.db2.gz SJTRUKOQWWXGLE-UHFFFAOYSA-N 1 0 263.337 2.060 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCCCCCO)c1 ZINC000083396292 330357767 /nfs/dbraw/zinc/35/77/67/330357767.db2.gz ANOXLMIUBFVKTH-UHFFFAOYSA-N 1 0 253.342 2.043 20 10 CECDRO COc1cccc(C[NH2+]CC[C@@H]2CCCCO2)c1O ZINC000227338492 333281025 /nfs/dbraw/zinc/28/10/25/333281025.db2.gz ULYPZPNUCHGPRC-ZDUSSCGKSA-N 1 0 265.353 2.450 20 10 CECDRO COc1cccc(C[NH2+][C@H](CCO)C(C)(C)C)c1O ZINC000231074206 333324040 /nfs/dbraw/zinc/32/40/40/333324040.db2.gz NQNGIFHXDSJAFX-CYBMUJFWSA-N 1 0 267.369 2.288 20 10 CECDRO COc1ccc(O)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000134199654 334084176 /nfs/dbraw/zinc/08/41/76/334084176.db2.gz MTPZZSPEYINCCM-CQSZACIVSA-N 1 0 276.380 2.071 20 10 CECDRO C[C@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000134913965 334108171 /nfs/dbraw/zinc/10/81/71/334108171.db2.gz RTNXFNJTAWYOGD-SFYZADRCSA-N 1 0 274.158 2.186 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000252811656 334394264 /nfs/dbraw/zinc/39/42/64/334394264.db2.gz OTCLOTOGXUKXHS-IJLUTSLNSA-N 1 0 265.353 2.355 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H](C)O)CC2)c1O ZINC000079433948 518283328 /nfs/dbraw/zinc/28/33/28/518283328.db2.gz XVDODVLSCFOBAF-SNVBAGLBSA-N 1 0 295.354 2.327 20 10 CECDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000278724355 519717506 /nfs/dbraw/zinc/71/75/06/519717506.db2.gz TWVLAQPMUKMHFE-UHFFFAOYSA-N 1 0 297.358 2.265 20 10 CECDRO CCN(C)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000054109855 520241603 /nfs/dbraw/zinc/24/16/03/520241603.db2.gz OHCHOCFBTHFSLC-LLVKDONJSA-N 1 0 252.358 2.003 20 10 CECDRO CCCC[N@H+](CCO)Cc1cc(F)cc(C(C)=O)c1O ZINC000050144948 520523401 /nfs/dbraw/zinc/52/34/01/520523401.db2.gz ZGASRMKRIGPLDG-UHFFFAOYSA-N 1 0 283.343 2.328 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](C)O)cc1F ZINC000130710710 520891702 /nfs/dbraw/zinc/89/17/02/520891702.db2.gz HXXMAWMANFQUKX-GFCCVEGCSA-N 1 0 268.376 2.485 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CC)OC)c1 ZINC000289696046 521151145 /nfs/dbraw/zinc/15/11/45/521151145.db2.gz DKHLURQDLYGJMQ-LBPRGKRZSA-N 1 0 253.342 2.306 20 10 CECDRO CCC[N@H+](CC(=O)NCC1CC1)Cc1ccccc1O ZINC000299593440 521549149 /nfs/dbraw/zinc/54/91/49/521549149.db2.gz FFIHTFWIBYUWHC-UHFFFAOYSA-N 1 0 276.380 2.130 20 10 CECDRO CCC[N@H+](CCN1CCCC1=O)Cc1ccccc1O ZINC000068973658 521660814 /nfs/dbraw/zinc/66/08/14/521660814.db2.gz UEXHYPQSGDQMDZ-UHFFFAOYSA-N 1 0 276.380 2.227 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C1CC[NH+](C)CC1 ZINC000269189158 521687047 /nfs/dbraw/zinc/68/70/47/521687047.db2.gz WHGDVTFADQSKJX-UHFFFAOYSA-N 1 0 290.407 2.473 20 10 CECDRO CN(C)c1ccc(C2=CC[N@H+](CCC3OCCO3)C2)cc1 ZINC000364922768 522155543 /nfs/dbraw/zinc/15/55/43/522155543.db2.gz YCEZYZLMYQYPRD-UHFFFAOYSA-N 1 0 288.391 2.215 20 10 CECDRO COC[C@H]([NH2+][C@H](C)c1ccccc1O)[C@H]1CCCO1 ZINC000278659755 522766572 /nfs/dbraw/zinc/76/65/72/522766572.db2.gz FHZYLGQBHUXCRL-OSAQELSMSA-N 1 0 265.353 2.237 20 10 CECDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(OC)ccc1O ZINC000280840058 522771212 /nfs/dbraw/zinc/77/12/12/522771212.db2.gz KPAAOEQKQTXATD-UHFFFAOYSA-N 1 0 281.352 2.080 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H](COC)OC)c1ccc(C)cc1O ZINC000280269070 522850278 /nfs/dbraw/zinc/85/02/78/522850278.db2.gz XSTPRBNEUPVDIO-GXTWGEPZSA-N 1 0 267.369 2.403 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(C)cc1O ZINC000280245548 522922943 /nfs/dbraw/zinc/92/29/43/522922943.db2.gz WGHBTXGVDRNHLL-CABCVRRESA-N 1 0 289.379 2.208 20 10 CECDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2O)c(=O)n1C ZINC000279442260 524592754 /nfs/dbraw/zinc/59/27/54/524592754.db2.gz HOCHFEWXWXBZDA-LBPRGKRZSA-N 1 0 272.348 2.250 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CCCO)c1 ZINC000094941812 524772770 /nfs/dbraw/zinc/77/27/70/524772770.db2.gz ANWWKFZPSRKPCU-QWRGUYRKSA-N 1 0 253.342 2.212 20 10 CECDRO COc1ccncc1C[NH2+]Cc1cccc(C)c1O ZINC000293796881 524857453 /nfs/dbraw/zinc/85/74/53/524857453.db2.gz CYLHHWVSNWWLHP-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617553 524952503 /nfs/dbraw/zinc/95/25/03/524952503.db2.gz OTZZSGFVYDPKCF-QWRGUYRKSA-N 1 0 263.316 2.467 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291028391 525340321 /nfs/dbraw/zinc/34/03/21/525340321.db2.gz BBDTXAPKIAGHQU-LBPRGKRZSA-N 1 0 271.307 2.150 20 10 CECDRO C[C@H]([NH2+]CCCn1ccnc1)c1cc(F)ccc1O ZINC000094617043 525346627 /nfs/dbraw/zinc/34/66/27/525346627.db2.gz CPTKVGSUKHZLMC-NSHDSACASA-N 1 0 263.316 2.469 20 10 CECDRO C[C@@H]([NH2+]CCn1ccnc1)c1ccc(N(C)C)cc1 ZINC000041119597 525470290 /nfs/dbraw/zinc/47/02/90/525470290.db2.gz YEUVWZBEMJGYAL-CYBMUJFWSA-N 1 0 258.369 2.300 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)(C)n1cncn1 ZINC000284125140 525526587 /nfs/dbraw/zinc/52/65/87/525526587.db2.gz NWZSPTIXQIALOL-CYBMUJFWSA-N 1 0 287.411 2.258 20 10 CECDRO C[C@@]1([NH2+]Cc2cc(Br)ccc2O)CCOC1 ZINC000120127666 525873519 /nfs/dbraw/zinc/87/35/19/525873519.db2.gz IEAUNXYFIXWOAM-GFCCVEGCSA-N 1 0 286.169 2.423 20 10 CECDRO COc1cccc(CN2CC[NH+](C3CCC3)CC2)c1O ZINC000271189085 525945822 /nfs/dbraw/zinc/94/58/22/525945822.db2.gz ONIYSLSUAJVVMY-UHFFFAOYSA-N 1 0 276.380 2.071 20 10 CECDRO COc1cccc(C[NH2+]C[C@]2(O)CCCC2(C)C)c1O ZINC000292908972 526024309 /nfs/dbraw/zinc/02/43/09/526024309.db2.gz HFWUCIPNLNMQLK-MRXNPFEDSA-N 1 0 279.380 2.432 20 10 CECDRO C[C@H](C(=O)NCc1ccccc1O)[NH+]1[C@H](C)CC[C@H]1C ZINC000263696155 526087548 /nfs/dbraw/zinc/08/75/48/526087548.db2.gz NLOMJAQNUFAERQ-JHJVBQTASA-N 1 0 276.380 2.270 20 10 CECDRO O=C(NCCC[NH+]1CCCCC1)NCc1ccccc1O ZINC000299481765 527663628 /nfs/dbraw/zinc/66/36/28/527663628.db2.gz HFGLYBAKFGAPNI-UHFFFAOYSA-N 1 0 291.395 2.067 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)CCCC[NH+](C)C)cc1 ZINC000729281965 574484244 /nfs/dbraw/zinc/48/42/44/574484244.db2.gz IAKYWBCBGRAFOR-UHFFFAOYSA-N 1 0 291.439 2.443 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000732287670 574617892 /nfs/dbraw/zinc/61/78/92/574617892.db2.gz ZKHPNKYEMJUOML-SMDDNHRTSA-N 1 0 292.379 2.062 20 10 CECDRO O=C(NCCC[NH+]1CCCCCC1)C1=CC(=O)CS1 ZINC000732265005 574616482 /nfs/dbraw/zinc/61/64/82/574616482.db2.gz MFMDQCBMCFEOGN-UHFFFAOYSA-N 1 0 282.409 2.450 20 10 CECDRO CN(C)c1ccc(C[NH2+]C2CCN(C)CC2)cc1F ZINC000742207349 574841599 /nfs/dbraw/zinc/84/15/99/574841599.db2.gz WPUDHHITGLHZAQ-UHFFFAOYSA-N 1 0 265.376 2.076 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)COC)cc1F ZINC000740007028 574938808 /nfs/dbraw/zinc/93/88/08/574938808.db2.gz RFQMMBVLJSLFTI-MRXNPFEDSA-N 1 0 298.402 2.159 20 10 CECDRO CN(C)c1ccc(C[N@H+](CCO)C2CCCC2)cc1 ZINC000748816070 575197564 /nfs/dbraw/zinc/19/75/64/575197564.db2.gz PRKIPIGMDOQIFG-UHFFFAOYSA-N 1 0 262.397 2.490 20 10 CECDRO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000741447816 574987065 /nfs/dbraw/zinc/98/70/65/574987065.db2.gz PXDZVCIWVBTZPY-ZDUSSCGKSA-N 1 0 291.439 2.488 20 10 CECDRO C[C@H]1CCN(CC[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000744450059 575121721 /nfs/dbraw/zinc/12/17/21/575121721.db2.gz KBWFVRDMFUZMGZ-AWEZNQCLSA-N 1 0 261.413 2.184 20 10 CECDRO CCNC(=O)C[N@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000747073939 575166949 /nfs/dbraw/zinc/16/69/49/575166949.db2.gz KCKQMITYJVGGIQ-UHFFFAOYSA-N 1 0 278.396 2.392 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H](O)c2ccco2)c(O)c1 ZINC000747098920 575167198 /nfs/dbraw/zinc/16/71/98/575167198.db2.gz HLYHHLHHFPDFDK-CQSZACIVSA-N 1 0 277.320 2.207 20 10 CECDRO CCC[N@H+](CC(=O)NCC(C)C)Cc1ccccc1O ZINC000750875181 575277532 /nfs/dbraw/zinc/27/75/32/575277532.db2.gz OMHHJTDIZBZNGY-UHFFFAOYSA-N 1 0 278.396 2.376 20 10 CECDRO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(N(C)C)cc1 ZINC000125548215 649938758 /nfs/dbraw/zinc/93/87/58/649938758.db2.gz XTVJHFNTJVYWET-PBHICJAKSA-N 1 0 292.423 2.192 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC000154448206 625759436 /nfs/dbraw/zinc/75/94/36/625759436.db2.gz FVJAGDOCNLXYPC-HNNXBMFYSA-N 1 0 262.397 2.488 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2O)c1O ZINC000187675505 622557579 /nfs/dbraw/zinc/55/75/79/622557579.db2.gz PGSBXIFBABFXDX-VXGBXAGGSA-N 1 0 285.771 2.447 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1O ZINC000090721532 623544163 /nfs/dbraw/zinc/54/41/63/623544163.db2.gz VWYUFMJQRUEVLT-OCCSQVGLSA-N 1 0 278.396 2.363 20 10 CECDRO CC(C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891402551 623596763 /nfs/dbraw/zinc/59/67/63/623596763.db2.gz ZZCMBZVGHQHLON-HNNXBMFYSA-N 1 0 292.427 2.063 20 10 CECDRO COc1ccc2c(c1)CCN2CC1CC[NH+](C)CC1 ZINC000891407900 623604687 /nfs/dbraw/zinc/60/46/87/623604687.db2.gz VAQNXVXMYZASRX-UHFFFAOYSA-N 1 0 260.381 2.400 20 10 CECDRO COc1ccc(C[N@H+](CCO)C2CCCC2)c(O)c1OC ZINC000891441522 623665760 /nfs/dbraw/zinc/66/57/60/623665760.db2.gz VQWUVEFRGXOVOK-UHFFFAOYSA-N 1 0 295.379 2.146 20 10 CECDRO C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000891981519 624226020 /nfs/dbraw/zinc/22/60/20/624226020.db2.gz LNIDZYWCTMKIFJ-RWMBFGLXSA-N 1 0 291.395 2.141 20 10 CECDRO COc1ccc(C[N@@H+]2CCCOC[C@@H]2C)c(O)c1OC ZINC000892077829 624302140 /nfs/dbraw/zinc/30/21/40/624302140.db2.gz ZPIIAUJDWOYNBJ-NSHDSACASA-N 1 0 281.352 2.020 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H]2CCCOC2)c(O)c1 ZINC000725847154 625776203 /nfs/dbraw/zinc/77/62/03/625776203.db2.gz DHLPNJHBPUCEOP-LBPRGKRZSA-N 1 0 265.353 2.307 20 10 CECDRO CN(Cc1ccccc1O)C(=O)C[N@H+](C)CC(C)(C)C ZINC000820879000 634559922 /nfs/dbraw/zinc/55/99/22/634559922.db2.gz NCHMWSFSFPWQKI-UHFFFAOYSA-N 1 0 278.396 2.329 20 10 CECDRO O=S1CCC([NH2+]CCCSc2nccs2)CC1 ZINC000893045674 627965822 /nfs/dbraw/zinc/96/58/22/627965822.db2.gz UJGBLKJMIMDWCD-UHFFFAOYSA-N 1 0 290.479 2.126 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2OC)c(O)c1OC ZINC000893285323 628244369 /nfs/dbraw/zinc/24/43/69/628244369.db2.gz NATCHUWBJIPYSX-DGCLKSJQSA-N 1 0 295.379 2.314 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCc2cn(C)cn2)c1O ZINC000313256953 628585804 /nfs/dbraw/zinc/58/58/04/628585804.db2.gz ACVWSPVCLVTGCW-UHFFFAOYSA-N 1 0 295.770 2.120 20 10 CECDRO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(F)ccc1O ZINC000902476891 634667094 /nfs/dbraw/zinc/66/70/94/634667094.db2.gz RKVCOPRSLPMYJL-HMHPOGMRSA-N 1 0 250.317 2.075 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@@H]1CCCO1 ZINC000840941111 628776138 /nfs/dbraw/zinc/77/61/38/628776138.db2.gz SGSJJXWAQBBFKT-IRXDYDNUSA-N 1 0 292.423 2.345 20 10 CECDRO Cc1cc(O)c(CN2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(Cl)c1 ZINC000840949635 628844313 /nfs/dbraw/zinc/84/43/13/628844313.db2.gz ACOQCTPHXWFBGY-RISCZKNCSA-N 1 0 280.799 2.490 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC000106917592 628856363 /nfs/dbraw/zinc/85/63/63/628856363.db2.gz UBQCQLYNWOCAHQ-XHDPSFHLSA-N 1 0 294.395 2.164 20 10 CECDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@H](O)C(C)C ZINC000840968135 628944733 /nfs/dbraw/zinc/94/47/33/628944733.db2.gz VTOWULYUKAARKP-TZMCWYRMSA-N 1 0 267.369 2.286 20 10 CECDRO OCC1(c2ccccc2)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000840969906 628954211 /nfs/dbraw/zinc/95/42/11/628954211.db2.gz LYUIEQFTMKKLQJ-UHFFFAOYSA-N 1 0 287.334 2.277 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCC=CO2)c(O)c1OC ZINC000893867807 629021605 /nfs/dbraw/zinc/02/16/05/629021605.db2.gz ORJSSLGENKUPPP-GFCCVEGCSA-N 1 0 279.336 2.192 20 10 CECDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)COCCOC ZINC000894045641 629101806 /nfs/dbraw/zinc/10/18/06/629101806.db2.gz HYPTXVNHHGCTRV-AWEZNQCLSA-N 1 0 280.412 2.413 20 10 CECDRO COc1ccc(C[NH2+]Cc2cc(C)cc(OC)c2O)cn1 ZINC000894165518 629179062 /nfs/dbraw/zinc/17/90/62/629179062.db2.gz MFKGGRYHXSYYJU-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000894173815 629189347 /nfs/dbraw/zinc/18/93/47/629189347.db2.gz REXUJGKSTDLRPQ-LBPRGKRZSA-N 1 0 275.352 2.084 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](C)Cc2cnccn2)c1O ZINC000894207764 629217891 /nfs/dbraw/zinc/21/78/91/629217891.db2.gz XSRSRZAEOUGAEW-LBPRGKRZSA-N 1 0 287.363 2.220 20 10 CECDRO CCC[C@@](C)(CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894259556 629272282 /nfs/dbraw/zinc/27/22/82/629272282.db2.gz WTAUGJWTJQHJKR-HNNXBMFYSA-N 1 0 267.369 2.350 20 10 CECDRO CCn1cc(C[NH2+]Cc2cc(C)cc(OC)c2O)cn1 ZINC000894283018 629303489 /nfs/dbraw/zinc/30/34/89/629303489.db2.gz GTAFZYVDIGJUIZ-UHFFFAOYSA-N 1 0 275.352 2.215 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H](O)c2ccc(C)o2)c1O ZINC000894293030 629312235 /nfs/dbraw/zinc/31/22/35/629312235.db2.gz IHMZKCNFYOKJPI-ZDUSSCGKSA-N 1 0 291.347 2.434 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCc2cscn2)c1O ZINC000894305841 629327844 /nfs/dbraw/zinc/32/78/44/629327844.db2.gz WGXWDLYDHNDWBA-UHFFFAOYSA-N 1 0 278.377 2.498 20 10 CECDRO CC[C@H]([NH2+][C@H](CO)COC)c1cc(Cl)ccc1O ZINC000794839133 629333024 /nfs/dbraw/zinc/33/30/24/629333024.db2.gz YVDCSWMHJJYMBG-PWSUYJOCSA-N 1 0 273.760 2.094 20 10 CECDRO CCn1ncnc1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000794842102 629333917 /nfs/dbraw/zinc/33/39/17/629333917.db2.gz PSVVAIPAHLTSTR-LLVKDONJSA-N 1 0 260.341 2.163 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCSC2)c1O ZINC000894315906 629346917 /nfs/dbraw/zinc/34/69/17/629346917.db2.gz NUWHGNXJXADIQF-LLVKDONJSA-N 1 0 253.367 2.304 20 10 CECDRO COCC(C)(C)[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894591207 629543245 /nfs/dbraw/zinc/54/32/45/629543245.db2.gz LDFPOVDMSASODP-UHFFFAOYSA-N 1 0 283.368 2.266 20 10 CECDRO COCC[C@@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000894656659 629577723 /nfs/dbraw/zinc/57/77/23/629577723.db2.gz UBIHVXHNSRTKIP-AWEZNQCLSA-N 1 0 275.348 2.032 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCOC2(C)C)c(O)c1OC ZINC000894685177 629588529 /nfs/dbraw/zinc/58/85/29/629588529.db2.gz SBFBJUUDSLYCOO-LBPRGKRZSA-N 1 0 281.352 2.067 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@H]2C2CC2)c(O)c1OC ZINC000894689041 629591845 /nfs/dbraw/zinc/59/18/45/629591845.db2.gz IXYRSHHVRIGOEJ-LBPRGKRZSA-N 1 0 263.337 2.394 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2C2OCCO2)c1 ZINC000902623355 634750523 /nfs/dbraw/zinc/75/05/23/634750523.db2.gz XKBUOAJKHIITND-AWEZNQCLSA-N 1 0 277.364 2.346 20 10 CECDRO Cc1nnc([C@H](C)NCc2ccc(N(C)C)c(F)c2)[nH]1 ZINC000894772497 629626311 /nfs/dbraw/zinc/62/63/11/629626311.db2.gz LWKRKWHWUFMHFP-VIFPVBQESA-N 1 0 277.347 2.169 20 10 CECDRO CO[C@@H](C)C[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000795750689 629666767 /nfs/dbraw/zinc/66/67/67/629666767.db2.gz VADHFDQHIHNMNT-NSHDSACASA-N 1 0 260.337 2.407 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCc2nccnc2C)c1O ZINC000894863512 629701200 /nfs/dbraw/zinc/70/12/00/629701200.db2.gz GXOYCEFJIFTGHR-UHFFFAOYSA-N 1 0 287.363 2.140 20 10 CECDRO COc1cc(C)cc(C[NH+]2CC3(C2)CCCOC3)c1O ZINC000894975662 629777086 /nfs/dbraw/zinc/77/70/86/629777086.db2.gz DISPBEPZXPYNLP-UHFFFAOYSA-N 1 0 277.364 2.322 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1O ZINC000895033193 629805730 /nfs/dbraw/zinc/80/57/30/629805730.db2.gz GYSZGFZUNXHJQR-OLZOCXBDSA-N 1 0 279.380 2.160 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CC)C(=O)OC)c1 ZINC000895121520 629925596 /nfs/dbraw/zinc/92/55/96/629925596.db2.gz YNVPNFLQPJIFHU-NSHDSACASA-N 1 0 281.352 2.080 20 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HKOVYYQFHPJHKC-DGCLKSJQSA-N 1 0 293.363 2.032 20 10 CECDRO CCO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1C)CN(C)C ZINC000896880232 630699527 /nfs/dbraw/zinc/69/95/27/630699527.db2.gz RJUGRIXOKDDNJH-QGZVFWFLSA-N 1 0 293.455 2.117 20 10 CECDRO C[NH+]1CCN(c2ccc(CNC3(C(F)F)CC3)cc2)CC1 ZINC000800311721 631111460 /nfs/dbraw/zinc/11/14/60/631111460.db2.gz ZOOZMQLYPUPMAA-UHFFFAOYSA-N 1 0 295.377 2.326 20 10 CECDRO CCC[N@H+](Cc1ccc(N)nn1)Cc1ccccc1O ZINC000904316666 635563164 /nfs/dbraw/zinc/56/31/64/635563164.db2.gz PGHCLKQIBKANRA-UHFFFAOYSA-N 1 0 272.352 2.177 20 10 CECDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000897344480 631150237 /nfs/dbraw/zinc/15/02/37/631150237.db2.gz CYUCXCJHSHQMEL-HNNXBMFYSA-N 1 0 288.391 2.016 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1C ZINC000801734268 631313541 /nfs/dbraw/zinc/31/35/41/631313541.db2.gz CDMYFBJTMVIMMW-CQSZACIVSA-N 1 0 276.380 2.150 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897511724 631603025 /nfs/dbraw/zinc/60/30/25/631603025.db2.gz PCICEUHYYRPTOQ-WFASDCNBSA-N 1 0 277.364 2.448 20 10 CECDRO CN(Cc1ccc(N2CCCCC2)cc1)C1C[NH2+]C1 ZINC000843124733 631736230 /nfs/dbraw/zinc/73/62/30/631736230.db2.gz LVIMBWQSQPMNOK-UHFFFAOYSA-N 1 0 259.397 2.081 20 10 CECDRO CCN(CCC[NH+]1CCCC1)C(=O)C1=CC(=O)CS1 ZINC000807368481 631834852 /nfs/dbraw/zinc/83/48/52/631834852.db2.gz HEBIGWGGKHWIPD-UHFFFAOYSA-N 1 0 282.409 2.402 20 10 CECDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000807748238 631867304 /nfs/dbraw/zinc/86/73/04/631867304.db2.gz QVMUVHSEIMDJDE-JTQLQIEISA-N 1 0 268.382 2.058 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2cnn(CCF)c2)c1 ZINC000897738182 631908817 /nfs/dbraw/zinc/90/88/17/631908817.db2.gz ZHXVXNZSUAGTCJ-UHFFFAOYSA-N 1 0 293.342 2.247 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCOCCO)c1O ZINC000808714089 632004256 /nfs/dbraw/zinc/00/42/56/632004256.db2.gz SGCRWDSSIXZERA-NSHDSACASA-N 1 0 287.787 2.404 20 10 CECDRO Cn1cnc(C[NH2+]Cc2cc(Br)ccc2O)c1 ZINC000898046087 632010550 /nfs/dbraw/zinc/01/05/50/632010550.db2.gz YBLPPXROIJPGEF-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000810219484 632195497 /nfs/dbraw/zinc/19/54/97/632195497.db2.gz SJWSQQNZRBBMFU-HNNXBMFYSA-N 1 0 287.411 2.221 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000811518134 632394748 /nfs/dbraw/zinc/39/47/48/632394748.db2.gz HNPHALSOLYVZGV-ZDUSSCGKSA-N 1 0 287.363 2.353 20 10 CECDRO CC[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000926989571 632408750 /nfs/dbraw/zinc/40/87/50/632408750.db2.gz XSNQFOVXTBMANL-BBRMVZONSA-N 1 0 289.423 2.320 20 10 CECDRO COc1ccc(C[NH2+]C/C=C/Cl)c(O)c1OC ZINC000898424080 632486444 /nfs/dbraw/zinc/48/64/44/632486444.db2.gz BNYZASRZXMONOC-ZZXKWVIFSA-N 1 0 257.717 2.252 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)CO1 ZINC000898447920 632503238 /nfs/dbraw/zinc/50/32/38/632503238.db2.gz NFCAIXKGMCTFRW-FRFSOERESA-N 1 0 291.439 2.122 20 10 CECDRO COC(=O)[C@H](C[NH2+]Cc1cc(F)ccc1O)CC(C)C ZINC000813332186 632670929 /nfs/dbraw/zinc/67/09/29/632670929.db2.gz QOMNHCJOFGKYEA-LBPRGKRZSA-N 1 0 283.343 2.456 20 10 CECDRO Cc1ccc(O)c(CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000899133801 632710313 /nfs/dbraw/zinc/71/03/13/632710313.db2.gz QHPYCDUHMBXEGZ-CYBMUJFWSA-N 1 0 276.380 2.190 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@@H]3CN(C)C[C@@H]32)cc1C ZINC000814172923 632798074 /nfs/dbraw/zinc/79/80/74/632798074.db2.gz DDXHQBJMVBGIRQ-HIFRSBDPSA-N 1 0 260.381 2.145 20 10 CECDRO Cc1cc(C[N@H+](CCO)CC2CC2)ccc1N(C)C ZINC000815023725 632950180 /nfs/dbraw/zinc/95/01/80/632950180.db2.gz FYIHXKOMNCLFJS-UHFFFAOYSA-N 1 0 262.397 2.265 20 10 CECDRO CC(=O)NC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815031461 632951092 /nfs/dbraw/zinc/95/10/92/632951092.db2.gz UNUMJSJTQVNQHD-UHFFFAOYSA-N 1 0 289.423 2.162 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC000815298529 632992977 /nfs/dbraw/zinc/99/29/77/632992977.db2.gz QXIBSNPFHOZNSG-INIZCTEOSA-N 1 0 262.397 2.490 20 10 CECDRO CC[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2ccccc2c1O ZINC000816503009 633401849 /nfs/dbraw/zinc/40/18/49/633401849.db2.gz ZUHLOVHSWGSNEN-OAHLLOKOSA-N 1 0 284.359 2.256 20 10 CECDRO COCCN(C)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816545136 633409905 /nfs/dbraw/zinc/40/99/05/633409905.db2.gz FZHZXPVTQFQRER-UHFFFAOYSA-N 1 0 288.391 2.213 20 10 CECDRO C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@H](O)C1CC1 ZINC000816611458 633420316 /nfs/dbraw/zinc/42/03/16/633420316.db2.gz QKXNVJVHQISOMG-ZDUSSCGKSA-N 1 0 273.735 2.387 20 10 CECDRO CNC(=O)[C@H]1CC[N@H+](Cc2cc(C(C)C)c(C)cc2O)C1 ZINC000817370704 633643357 /nfs/dbraw/zinc/64/33/57/633643357.db2.gz SCCRRHGFHLRXRF-ZDUSSCGKSA-N 1 0 290.407 2.392 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000817413489 633651671 /nfs/dbraw/zinc/65/16/71/633651671.db2.gz YEYDYRIECPRQMA-INIZCTEOSA-N 1 0 292.423 2.033 20 10 CECDRO CON1CCC([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000817418205 633655716 /nfs/dbraw/zinc/65/57/16/633655716.db2.gz GDHDRFJXWRAFNM-UHFFFAOYSA-N 1 0 277.412 2.176 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cnccc1N ZINC000817902839 633763995 /nfs/dbraw/zinc/76/39/95/633763995.db2.gz ZDFQMUQPOCPGFO-NSHDSACASA-N 1 0 269.348 2.280 20 10 CECDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCCCSc2nccs2)C1 ZINC000817940735 633788592 /nfs/dbraw/zinc/78/85/92/633788592.db2.gz KFVHONIOZJEUOA-WDEREUQCSA-N 1 0 299.465 2.130 20 10 CECDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000817939167 633788692 /nfs/dbraw/zinc/78/86/92/633788692.db2.gz AAPDPVRLNKBLQB-DYVFJYSZSA-N 1 0 284.407 2.498 20 10 CECDRO Cc1n[nH]cc1[C@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817941401 633790076 /nfs/dbraw/zinc/79/00/76/633790076.db2.gz JQKHDWZPNKNUTB-ZBEGNZNMSA-N 1 0 287.411 2.135 20 10 CECDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000817942900 633790914 /nfs/dbraw/zinc/79/09/14/633790914.db2.gz RHUPOXDBRBVTNB-YSVLISHTSA-N 1 0 291.439 2.157 20 10 CECDRO Nc1ccc(CC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000817956716 633799900 /nfs/dbraw/zinc/79/99/00/633799900.db2.gz BBAGSPDLQGSYAZ-UHFFFAOYSA-N 1 0 276.380 2.087 20 10 CECDRO Nc1ccc(CC[NH2+][C@H]2CCCc3n[nH]cc32)cc1 ZINC000817957993 633800959 /nfs/dbraw/zinc/80/09/59/633800959.db2.gz RWPIXDLAFRAMJO-AWEZNQCLSA-N 1 0 256.353 2.202 20 10 CECDRO COc1ccc(O)c([C@H](C)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000817968997 633811119 /nfs/dbraw/zinc/81/11/19/633811119.db2.gz OVLWZZJZJJKZPK-MJVIPROJSA-N 1 0 264.369 2.049 20 10 CECDRO COC[C@@]1(CN[C@@H](C)c2ccc(C)cc2O)CCC[NH2+]1 ZINC000817974196 633816903 /nfs/dbraw/zinc/81/69/03/633816903.db2.gz JIBZNEXUEWTQQY-BBRMVZONSA-N 1 0 278.396 2.120 20 10 CECDRO C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817973280 633817315 /nfs/dbraw/zinc/81/73/15/633817315.db2.gz SJJDJLWSRVZRRS-HTQZYQBOSA-N 1 0 262.275 2.409 20 10 CECDRO CCn1nc(C)c(C[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000818345631 633914686 /nfs/dbraw/zinc/91/46/86/633914686.db2.gz NKACDZRXEGYXCP-GFCCVEGCSA-N 1 0 272.352 2.089 20 10 CECDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953775 634015013 /nfs/dbraw/zinc/01/50/13/634015013.db2.gz MXEKSMQAGKNWBY-KRWDZBQOSA-N 1 0 292.423 2.164 20 10 CECDRO CSC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000819377349 634162384 /nfs/dbraw/zinc/16/23/84/634162384.db2.gz QGDDXEGVPDADNW-CJNGLKHVSA-N 1 0 296.480 2.306 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1OC ZINC000822539473 634939379 /nfs/dbraw/zinc/93/93/79/634939379.db2.gz JQYWFALIYFVYHC-PEGIJTEDSA-N 1 0 263.337 2.298 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@@H](OC)C3CC3)CC2)cc1 ZINC000822570000 634944590 /nfs/dbraw/zinc/94/45/90/634944590.db2.gz DGVVEHOVXBFCSS-QGZVFWFLSA-N 1 0 290.407 2.242 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1([NH+](C)C)CC1 ZINC000824241218 635384933 /nfs/dbraw/zinc/38/49/33/635384933.db2.gz VOAKKPHNYCEQFA-UHFFFAOYSA-N 1 0 289.423 2.195 20 10 CECDRO Cc1cc(O)c(CN2CCC[N@@H+](C)CC2)cc1Cl ZINC000824474109 635433691 /nfs/dbraw/zinc/43/36/91/635433691.db2.gz ILFCPFAQKXXEJN-UHFFFAOYSA-N 1 0 268.788 2.492 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000824522309 635440489 /nfs/dbraw/zinc/44/04/89/635440489.db2.gz UPYBCQMHIBJVSM-LLVKDONJSA-N 1 0 263.728 2.477 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCn3ccnc32)cc1C ZINC000824525659 635442163 /nfs/dbraw/zinc/44/21/63/635442163.db2.gz CALAIFNFOKWZHU-CYBMUJFWSA-N 1 0 257.337 2.440 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000824710286 635482868 /nfs/dbraw/zinc/48/28/68/635482868.db2.gz WXVCAPYTMPSERC-XJKSGUPXSA-N 1 0 279.380 2.150 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1Cl ZINC000824767787 635494577 /nfs/dbraw/zinc/49/45/77/635494577.db2.gz AXVDPMRXZICTIW-CYBMUJFWSA-N 1 0 299.798 2.327 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000824846453 635510475 /nfs/dbraw/zinc/51/04/75/635510475.db2.gz SHFFLVDDQXTLDH-RHSMWYFYSA-N 1 0 291.391 2.288 20 10 CECDRO Cc1ccc(O)c(CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000824904482 635521789 /nfs/dbraw/zinc/52/17/89/635521789.db2.gz OVWWSHSTRGPONI-UHFFFAOYSA-N 1 0 288.391 2.193 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1OC ZINC000825035380 635544406 /nfs/dbraw/zinc/54/44/06/635544406.db2.gz IBGHHSOHPCGRFC-YPMHNXCESA-N 1 0 295.379 2.050 20 10 CECDRO Cc1cccc(C[NH2+][C@H](C)Cc2cnn(C)c2)c1O ZINC000825046024 635548233 /nfs/dbraw/zinc/54/82/33/635548233.db2.gz OOMNQGFQSHDFMR-GFCCVEGCSA-N 1 0 259.353 2.155 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCOC[C@H]2CCOC2)cc1Cl ZINC000825214564 635592669 /nfs/dbraw/zinc/59/26/69/635592669.db2.gz HWYBKAONMLQDOV-LBPRGKRZSA-N 1 0 299.798 2.497 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](O)C2CCOCC2)cc1Cl ZINC000825287726 635606625 /nfs/dbraw/zinc/60/66/25/635606625.db2.gz LURQVHMVWBZIPH-HNNXBMFYSA-N 1 0 299.798 2.231 20 10 CECDRO [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000904405485 635612403 /nfs/dbraw/zinc/61/24/03/635612403.db2.gz JXPROXVPLZSDSJ-SNVBAGLBSA-N 1 0 254.761 2.216 20 10 CECDRO CC1(C)CC[N@H+](CCNC(=O)Nc2ccc(N)cc2)C1 ZINC000904500424 635651659 /nfs/dbraw/zinc/65/16/59/635651659.db2.gz LXOIWFXKNROWQI-UHFFFAOYSA-N 1 0 276.384 2.122 20 10 CECDRO CO[C@@]1(C[NH2+]Cc2cc(Cl)c(C)cc2O)CCOC1 ZINC000825519913 635651891 /nfs/dbraw/zinc/65/18/91/635651891.db2.gz PMZVIAAXCYPVLN-CQSZACIVSA-N 1 0 285.771 2.249 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CCCC2=O)cc1Cl ZINC000826143431 635767087 /nfs/dbraw/zinc/76/70/87/635767087.db2.gz ZJGBZLHADMVVSI-UHFFFAOYSA-N 1 0 282.771 2.066 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@@H]2COCCO2)cc1 ZINC000827140354 636232781 /nfs/dbraw/zinc/23/27/81/636232781.db2.gz KWLSCFYHBPSQJJ-LAQIPUCWSA-N 1 0 290.407 2.113 20 10 CECDRO C[N@H+](CC[S@](C)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000827337368 636297470 /nfs/dbraw/zinc/29/74/70/636297470.db2.gz VVWYZNAWZBIXHL-FQEVSTJZSA-N 1 0 294.464 2.487 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000827340953 636299669 /nfs/dbraw/zinc/29/96/69/636299669.db2.gz MWUCZEDBKJHHJV-MRXNPFEDSA-N 1 0 289.423 2.276 20 10 CECDRO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000827687615 636391480 /nfs/dbraw/zinc/39/14/80/636391480.db2.gz RKEIMURZKRFTHG-LBPRGKRZSA-N 1 0 294.370 2.268 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c1O ZINC000827692274 636393068 /nfs/dbraw/zinc/39/30/68/636393068.db2.gz HDBRHZKIJXUARZ-WBMJQRKESA-N 1 0 263.381 2.405 20 10 CECDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000827812401 636431572 /nfs/dbraw/zinc/43/15/72/636431572.db2.gz LUZSAMUFXDABGD-MGCOHNPYSA-N 1 0 283.755 2.395 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C2(CO)CC2)cc1 ZINC000827904240 636456761 /nfs/dbraw/zinc/45/67/61/636456761.db2.gz XNMDIEWESGRVPV-UHFFFAOYSA-N 1 0 262.397 2.490 20 10 CECDRO CC(C)([NH3+])CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597264 637107914 /nfs/dbraw/zinc/10/79/14/637107914.db2.gz CTCFGOGIXNGYMP-UHFFFAOYSA-N 1 0 276.380 2.015 20 10 CECDRO C[C@H]([NH3+])CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597661 637107945 /nfs/dbraw/zinc/10/79/45/637107945.db2.gz SHMWCWGAGGDBMB-NSHDSACASA-N 1 0 276.380 2.015 20 10 CECDRO CCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876559634 650327283 /nfs/dbraw/zinc/32/72/83/650327283.db2.gz CEYOHDCCPQPRCX-UHFFFAOYSA-N 1 0 290.407 2.439 20 10 CECDRO CCC[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292279 637535275 /nfs/dbraw/zinc/53/52/75/637535275.db2.gz DWYKYKAALPVDGL-DOMZBBRYSA-N 1 0 277.412 2.305 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC2CCCC2)cc1 ZINC000832292167 637535565 /nfs/dbraw/zinc/53/55/65/637535565.db2.gz BWAIITGBPCDUJI-MRXNPFEDSA-N 1 0 289.423 2.449 20 10 CECDRO Cc1ccccc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832292518 637535577 /nfs/dbraw/zinc/53/55/77/637535577.db2.gz HZSOAWBTKURXMJ-QGZVFWFLSA-N 1 0 297.402 2.491 20 10 CECDRO Cc1cccc2c1CCN2C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876629280 650366955 /nfs/dbraw/zinc/36/69/55/650366955.db2.gz GLVAWKROYDURFZ-DANTVBBOSA-N 1 0 270.376 2.440 20 10 CECDRO Cn1ncc2cc(C[N@H+](C)Cc3ccccc3O)cnc21 ZINC000876616068 650360691 /nfs/dbraw/zinc/36/06/91/650360691.db2.gz RDPSLVWYTVLYRL-UHFFFAOYSA-N 1 0 282.347 2.306 20 10 CECDRO COc1ccc2c(c1)CCN2C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876630790 650367592 /nfs/dbraw/zinc/36/75/92/650367592.db2.gz KUTYWPAGVHMOLO-LLPBQKLSSA-N 1 0 286.375 2.140 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)COc1ccccc1)CC2 ZINC000834502627 637849549 /nfs/dbraw/zinc/84/95/49/637849549.db2.gz RKSYMSZCMJOAED-HOCLYGCPSA-N 1 0 299.370 2.409 20 10 CECDRO CC(C)C(=O)NCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834694178 637921575 /nfs/dbraw/zinc/92/15/75/637921575.db2.gz VAUNJFHRVDKTJD-CYBMUJFWSA-N 1 0 276.380 2.131 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000834844650 637967358 /nfs/dbraw/zinc/96/73/58/637967358.db2.gz SRXJNRPWVNSVDN-SWLSCSKDSA-N 1 0 267.369 2.139 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(F)ccc1O ZINC000834906337 637983771 /nfs/dbraw/zinc/98/37/71/637983771.db2.gz PCKYIKVDPNRGQH-GBIKHYSHSA-N 1 0 253.317 2.343 20 10 CECDRO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cc(Cl)ccc1O ZINC000834909565 637984970 /nfs/dbraw/zinc/98/49/70/637984970.db2.gz SKKQPOAJKCSXLN-YMTOWFKASA-N 1 0 282.771 2.365 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@H+](CCO)C2CC2)cc1 ZINC000835026217 638028886 /nfs/dbraw/zinc/02/88/86/638028886.db2.gz SGJNMUNMBAHLQQ-ARJAWSKDSA-N 1 0 260.381 2.223 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCCNC2=O)cc1 ZINC000835037806 638034036 /nfs/dbraw/zinc/03/40/36/638034036.db2.gz XRUASKLPXUCXOX-KJPDOMRESA-N 1 0 287.407 2.024 20 10 CECDRO COC[C@@](C)(CCO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041425 638034717 /nfs/dbraw/zinc/03/47/17/638034717.db2.gz CBWLXXFYFCUXBU-KEGWNNHHSA-N 1 0 292.423 2.143 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCO[C@@H]3C[C@@H]32)cc1 ZINC000835052635 638039854 /nfs/dbraw/zinc/03/98/54/638039854.db2.gz IDBSNVDHTBXPSN-MEGKRXCUSA-N 1 0 258.365 2.239 20 10 CECDRO O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2O)C[C@H]2CCCCN12 ZINC000835074279 638049037 /nfs/dbraw/zinc/04/90/37/638049037.db2.gz RIRYXUHCRIWKOR-CHWSQXEVSA-N 1 0 294.782 2.289 20 10 CECDRO CN1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000876754327 650421080 /nfs/dbraw/zinc/42/10/80/650421080.db2.gz MQHUANGRLWWROP-CDNLZTBQSA-N 1 0 299.418 2.021 20 10 CECDRO O=C(C1=CCC[NH2+]CC1)N1CCc2cc(F)c(F)cc21 ZINC000912358656 638657665 /nfs/dbraw/zinc/65/76/65/638657665.db2.gz CPFQPRCLWBRILC-UHFFFAOYSA-N 1 0 278.302 2.164 20 10 CECDRO c1cncc(CC[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000126165114 650442529 /nfs/dbraw/zinc/44/25/29/650442529.db2.gz YUBLJJOPYGQFKF-UHFFFAOYSA-N 1 0 297.402 2.251 20 10 CECDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(C)cc3O)[C@H]2C1 ZINC000876815460 650443668 /nfs/dbraw/zinc/44/36/68/650443668.db2.gz YELUBYHIFIKIDG-VYDXJSESSA-N 1 0 291.391 2.469 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000876872668 650467286 /nfs/dbraw/zinc/46/72/86/650467286.db2.gz JLALOXOSXKYDLY-CABCVRRESA-N 1 0 289.423 2.084 20 10 CECDRO Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)c(O)c1O ZINC000837173406 639093143 /nfs/dbraw/zinc/09/31/43/639093143.db2.gz ZVFUBMRZEYXORR-UHFFFAOYSA-N 1 0 292.379 2.010 20 10 CECDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCc2c1cccc2F ZINC000876881579 650471154 /nfs/dbraw/zinc/47/11/54/650471154.db2.gz KGODNTUITAXIEU-NNNHXZLVSA-N 1 0 274.339 2.271 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2cc3c(cn2)OCCO3)cc1 ZINC000876905124 650480634 /nfs/dbraw/zinc/48/06/34/650480634.db2.gz CUZDNBLGMVELFE-UHFFFAOYSA-N 1 0 299.374 2.209 20 10 CECDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000164455582 639376257 /nfs/dbraw/zinc/37/62/57/639376257.db2.gz OUBNISKLAPZYOT-ZDUSSCGKSA-N 1 0 265.353 2.320 20 10 CECDRO CCn1ccc(C[NH2+][C@H](C)c2cc(OC)ccc2O)n1 ZINC000840839977 639559029 /nfs/dbraw/zinc/55/90/29/639559029.db2.gz CCVOSFCMYXXMHF-LLVKDONJSA-N 1 0 275.352 2.468 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2(O)CCC2)c(Cl)c1 ZINC000840897015 639576760 /nfs/dbraw/zinc/57/67/60/639576760.db2.gz NMGZHYFAOKGWRL-UHFFFAOYSA-N 1 0 255.745 2.359 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000840910770 639582133 /nfs/dbraw/zinc/58/21/33/639582133.db2.gz RTBQWEPRCCADRP-HIFRSBDPSA-N 1 0 289.423 2.147 20 10 CECDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840910030 639582731 /nfs/dbraw/zinc/58/27/31/639582731.db2.gz JSKZQELFUINKPB-INIZCTEOSA-N 1 0 289.423 2.162 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(N(C)C)cc1C ZINC000840912059 639582867 /nfs/dbraw/zinc/58/28/67/639582867.db2.gz ZQIRBGCOGNQPSM-UHFFFAOYSA-N 1 0 291.439 2.361 20 10 CECDRO CNC(=O)C1CC[NH+](Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840910994 639583436 /nfs/dbraw/zinc/58/34/36/639583436.db2.gz ZOQSOOYTQOPGGJ-UHFFFAOYSA-N 1 0 296.798 2.312 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](CCCO)C1CC1 ZINC000840915343 639584773 /nfs/dbraw/zinc/58/47/73/639584773.db2.gz PMSTYZUBBUWPDX-UHFFFAOYSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)CC[C@@H](C)O ZINC000840917769 639585523 /nfs/dbraw/zinc/58/55/23/639585523.db2.gz MMMQWYUDCYTKEY-CYBMUJFWSA-N 1 0 250.386 2.264 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]1CCO ZINC000840938110 639592110 /nfs/dbraw/zinc/59/21/10/639592110.db2.gz CQGNWHWLBZSHBN-OAHLLOKOSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000840937472 639592855 /nfs/dbraw/zinc/59/28/55/639592855.db2.gz UIBAYMMCHVJEAC-DZGCQCFKSA-N 1 0 260.381 2.088 20 10 CECDRO CCc1ncc(C[NH2+]Cc2ccc(OC)cc2O)cn1 ZINC000840941488 639594551 /nfs/dbraw/zinc/59/45/51/639594551.db2.gz XRXFWIICFTYLPU-UHFFFAOYSA-N 1 0 273.336 2.043 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000840949833 639598151 /nfs/dbraw/zinc/59/81/51/639598151.db2.gz CNMRCIAEKMZVPY-YOEHRIQHSA-N 1 0 292.423 2.033 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@]2(C)CCC(=O)N2)c(Cl)c1 ZINC000840953291 639599434 /nfs/dbraw/zinc/59/94/34/639599434.db2.gz OGCBBKNNKMWNQY-AWEZNQCLSA-N 1 0 282.771 2.112 20 10 CECDRO CN(C)c1ccc(C[NH+]2CC(CO)(c3ccccc3)C2)cc1 ZINC000840970126 639604875 /nfs/dbraw/zinc/60/48/75/639604875.db2.gz PPVUFPLYRZLQBF-UHFFFAOYSA-N 1 0 296.414 2.499 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c(O)c1 ZINC000840977470 639607082 /nfs/dbraw/zinc/60/70/82/639607082.db2.gz IHIGSUCJVVZIRP-TZMCWYRMSA-N 1 0 279.380 2.384 20 10 CECDRO Cc1cc(Br)c([O-])c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000841027156 639620251 /nfs/dbraw/zinc/62/02/51/639620251.db2.gz XZLLOARVNJOWDE-UHFFFAOYSA-N 1 0 299.212 2.305 20 10 CECDRO CC(C)C[C@@H](C[NH3+])NCc1ccc(N(C)C)c(F)c1 ZINC000841038753 639629087 /nfs/dbraw/zinc/62/90/87/639629087.db2.gz PNESJSYHQFOPFD-ZDUSSCGKSA-N 1 0 267.392 2.355 20 10 CECDRO Cc1ncccc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043345 639629485 /nfs/dbraw/zinc/62/94/85/639629485.db2.gz OASZZPLVPHMHOL-KRWDZBQOSA-N 1 0 284.407 2.246 20 10 CECDRO Cc1cc(Br)cc(C[NH2+]CC2([NH3+])CCC2)c1O ZINC000841049661 639631995 /nfs/dbraw/zinc/63/19/95/639631995.db2.gz VAGQOKQRPJRHIX-UHFFFAOYSA-N 1 0 299.212 2.434 20 10 CECDRO Cc1cc(Br)c([O-])c(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000841050198 639633489 /nfs/dbraw/zinc/63/34/89/639633489.db2.gz ZNXBHNZURQANMV-UHFFFAOYSA-N 1 0 299.212 2.434 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCSC2)c1O ZINC000228555662 639643596 /nfs/dbraw/zinc/64/35/96/639643596.db2.gz AXFOUWGWLATWKK-SNVBAGLBSA-N 1 0 253.367 2.244 20 10 CECDRO [NH3+]CC[C@H](NCc1cc(Cl)ccc1O)C(F)F ZINC000841074376 639645014 /nfs/dbraw/zinc/64/50/14/639645014.db2.gz PFZHWZFIDYGWRW-VIFPVBQESA-N 1 0 264.703 2.118 20 10 CECDRO CC1(C)[NH2+]CC[C@H]1NCc1cc(Br)ccc1O ZINC000841085430 639650491 /nfs/dbraw/zinc/65/04/91/639650491.db2.gz CFKFAANQALHRGS-GFCCVEGCSA-N 1 0 299.212 2.385 20 10 CECDRO [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000841085222 639650556 /nfs/dbraw/zinc/65/05/56/639650556.db2.gz XBVLPBPKDYZOFL-DTWKUNHWSA-N 1 0 272.751 2.402 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccncc2C)c(O)c1 ZINC000228661322 639650643 /nfs/dbraw/zinc/65/06/43/639650643.db2.gz WAAJKGMXDQURCB-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO COc1cccc(C[NH2+][C@H](CN)C2CCCC2)c1O ZINC000841088248 639652120 /nfs/dbraw/zinc/65/21/20/639652120.db2.gz UCRUNMQTEGEQKX-CYBMUJFWSA-N 1 0 264.369 2.008 20 10 CECDRO Oc1ccc(Cl)cc1CN[C@H]1CCCC[NH2+]C1 ZINC000841091471 639654839 /nfs/dbraw/zinc/65/48/39/639654839.db2.gz YNGJLNIQOCKDBR-LBPRGKRZSA-N 1 0 254.761 2.277 20 10 CECDRO COc1cc(Cl)cc(CN2CCC[C@@H](C[NH3+])C2)c1O ZINC000229102564 639676749 /nfs/dbraw/zinc/67/67/49/639676749.db2.gz WJPHNEJAADUVHS-JTQLQIEISA-N 1 0 284.787 2.225 20 10 CECDRO C[NH2+]CCCN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000841104133 639680722 /nfs/dbraw/zinc/68/07/22/639680722.db2.gz OGEBCNBQVXBESP-FNORWQNLSA-N 1 0 261.413 2.307 20 10 CECDRO COc1ccc(C[NH2+]Cc2cnn(C)c2C)cc1C ZINC000229807436 639719989 /nfs/dbraw/zinc/71/99/89/639719989.db2.gz XLMYRCMNXYYPSF-UHFFFAOYSA-N 1 0 259.353 2.335 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000230164652 639744220 /nfs/dbraw/zinc/74/42/20/639744220.db2.gz KAHVTNIKFMTQIV-MRXNPFEDSA-N 1 0 290.407 2.039 20 10 CECDRO CCOC(=O)c1ccc(C[NH2+]Cc2ccccc2O)[nH]1 ZINC000876995874 650524186 /nfs/dbraw/zinc/52/41/86/650524186.db2.gz LMXFETNLKGSJAP-UHFFFAOYSA-N 1 0 274.320 2.187 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCCc1cnn(C)c1 ZINC000876997507 650525375 /nfs/dbraw/zinc/52/53/75/650525375.db2.gz YPXSUOQZBNTJSZ-UHFFFAOYSA-N 1 0 259.353 2.157 20 10 CECDRO CCCNC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841744176 639855632 /nfs/dbraw/zinc/85/56/32/639855632.db2.gz MQBPCWMEHAXHAQ-SECBINFHSA-N 1 0 270.760 2.222 20 10 CECDRO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841746595 639857290 /nfs/dbraw/zinc/85/72/90/639857290.db2.gz IZLMYZCWCKKWIB-NXEZZACHSA-N 1 0 280.759 2.376 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(Cl)cc1O ZINC000841746164 639857410 /nfs/dbraw/zinc/85/74/10/639857410.db2.gz VVEOTQJJGBNYKU-MWLCHTKSSA-N 1 0 271.744 2.112 20 10 CECDRO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(Cl)cc1O ZINC000841752461 639857915 /nfs/dbraw/zinc/85/79/15/639857915.db2.gz TVKMKQGUWOHRDW-TVQRCGJNSA-N 1 0 295.770 2.163 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC(=O)NCCc1ccccc1 ZINC000877010284 650530707 /nfs/dbraw/zinc/53/07/07/650530707.db2.gz SHPZGEQVLQIQOV-UHFFFAOYSA-N 1 0 298.386 2.149 20 10 CECDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841763237 639859897 /nfs/dbraw/zinc/85/98/97/639859897.db2.gz LMLHXGIXEALYMC-QMTHXVAHSA-N 1 0 287.787 2.484 20 10 CECDRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000841764827 639861858 /nfs/dbraw/zinc/86/18/58/639861858.db2.gz RUUDZDDBEJNAOF-YPMHNXCESA-N 1 0 298.814 2.417 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]([NH3+])CC ZINC000842009112 639918264 /nfs/dbraw/zinc/91/82/64/639918264.db2.gz XKRBGMRFHIQFDQ-CQSZACIVSA-N 1 0 293.411 2.441 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCN(CC3CC3)C2)c(O)c1 ZINC000877024966 650536427 /nfs/dbraw/zinc/53/64/27/650536427.db2.gz UVGYTFJSSHOBKG-OAHLLOKOSA-N 1 0 260.381 2.275 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000877025013 650536702 /nfs/dbraw/zinc/53/67/02/650536702.db2.gz WQJRBQAJRMJBDP-CQSZACIVSA-N 1 0 260.381 2.275 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000842912131 640220216 /nfs/dbraw/zinc/22/02/16/640220216.db2.gz RDOSLZQSGANYEM-UXEPBGEESA-N 1 0 291.391 2.335 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000877074419 650560085 /nfs/dbraw/zinc/56/00/85/650560085.db2.gz JKTCMFNEGHIBJN-HNNXBMFYSA-N 1 0 280.437 2.228 20 10 CECDRO Cc1ccc(C[NH2+]C[C@@]2(N(C)C)CCSC2)c(O)c1 ZINC000877076746 650562133 /nfs/dbraw/zinc/56/21/33/650562133.db2.gz UOGCCBIPOWLORS-HNNXBMFYSA-N 1 0 280.437 2.228 20 10 CECDRO Oc1cc(OCc2ccccc2)ccc1CN1CC[NH2+]CC1 ZINC000843046183 640251054 /nfs/dbraw/zinc/25/10/54/640251054.db2.gz VJBWPIBZELGMAO-UHFFFAOYSA-N 1 0 298.386 2.376 20 10 CECDRO [NH3+][C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843045195 640251319 /nfs/dbraw/zinc/25/13/19/640251319.db2.gz OYHYVSFPLYFNPX-OAHLLOKOSA-N 1 0 259.397 2.210 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]([NH3+])C2)c(C(F)(F)F)c1 ZINC000843047547 640252273 /nfs/dbraw/zinc/25/22/73/640252273.db2.gz VRXXHGMEBBEQES-NSHDSACASA-N 1 0 287.329 2.304 20 10 CECDRO Cc1cc(O)c(CN2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000843047709 640253109 /nfs/dbraw/zinc/25/31/09/640253109.db2.gz XJRZFZNPJQBWKE-JTQLQIEISA-N 1 0 254.761 2.277 20 10 CECDRO C[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)[C@H]1C[NH3+] ZINC000843051088 640254305 /nfs/dbraw/zinc/25/43/05/640254305.db2.gz DZLMRASTASBHQQ-LRDDRELGSA-N 1 0 279.403 2.451 20 10 CECDRO C[C@@H](CC(=O)N(C)c1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000877079231 650563030 /nfs/dbraw/zinc/56/30/30/650563030.db2.gz VLXODPLIDVOSDL-QWHCGFSZSA-N 1 0 275.396 2.257 20 10 CECDRO COc1cc(Cl)cc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1O ZINC000843107085 640283177 /nfs/dbraw/zinc/28/31/77/640283177.db2.gz PWFROLRYAGQKNS-BETUJISGSA-N 1 0 296.798 2.381 20 10 CECDRO CN(C)c1ccc(CN2CC[NH2+]C[C@](C)(F)C2)cc1F ZINC000843125258 640292086 /nfs/dbraw/zinc/29/20/86/640292086.db2.gz PUFOTKVGYYRKJY-HNNXBMFYSA-N 1 0 283.366 2.025 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843127843 640294385 /nfs/dbraw/zinc/29/43/85/640294385.db2.gz TZXDQNFVTBUFDJ-TXEJJXNPSA-N 1 0 280.799 2.477 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000877094189 650569847 /nfs/dbraw/zinc/56/98/47/650569847.db2.gz IAGQRVDSDZSGDE-IUODEOHRSA-N 1 0 260.381 2.273 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2COC[C@H]2C2CC2)c1 ZINC000914433128 640404559 /nfs/dbraw/zinc/40/45/59/640404559.db2.gz KMHSAVRKUNAIMK-GJZGRUSLSA-N 1 0 277.364 2.306 20 10 CECDRO CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CC[C@@H]1[NH3+] ZINC000843376555 640410351 /nfs/dbraw/zinc/41/03/51/640410351.db2.gz AXEXLBAIKFXIGQ-NHYWBVRUSA-N 1 0 294.370 2.293 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000843412991 640419115 /nfs/dbraw/zinc/41/91/15/640419115.db2.gz CUBTVOYCEBAINB-GFCCVEGCSA-N 1 0 265.353 2.400 20 10 CECDRO Cc1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)c(O)c1 ZINC000877147537 650594897 /nfs/dbraw/zinc/59/48/97/650594897.db2.gz XZHGIIUUGQZDPC-UHFFFAOYSA-N 1 0 280.368 2.315 20 10 CECDRO COCC[C@@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000268013099 640689865 /nfs/dbraw/zinc/68/98/65/640689865.db2.gz SBRHIAOHKOAQCM-CYBMUJFWSA-N 1 0 296.386 2.381 20 10 CECDRO Cc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)c(O)c1 ZINC000877169197 650607089 /nfs/dbraw/zinc/60/70/89/650607089.db2.gz JIKXHBYEVQBLDL-UHFFFAOYSA-N 1 0 297.402 2.413 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@]3(CC3(F)F)C1)[C@@H](O)CO2 ZINC000844756294 640828458 /nfs/dbraw/zinc/82/84/58/640828458.db2.gz JXAHIFUOVGGOAF-GXTWGEPZSA-N 1 0 297.301 2.049 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1CC[NH3+] ZINC000844902559 640860299 /nfs/dbraw/zinc/86/02/99/640860299.db2.gz QPALCNXJJMNRJU-WCQYABFASA-N 1 0 292.379 2.070 20 10 CECDRO [NH3+]CC1(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000844903840 640861299 /nfs/dbraw/zinc/86/12/99/640861299.db2.gz OYZOECFVFWULCL-UHFFFAOYSA-N 1 0 272.751 2.403 20 10 CECDRO C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)cc(F)c1[O-] ZINC000844921688 640866359 /nfs/dbraw/zinc/86/63/59/640866359.db2.gz RKNRTPPCFLZPMH-SECBINFHSA-N 1 0 270.323 2.450 20 10 CECDRO CC[C@H]([NH2+]CCCn1ccnn1)c1ccccc1O ZINC000126409334 650632849 /nfs/dbraw/zinc/63/28/49/650632849.db2.gz MRLPHJNXOPVJDI-ZDUSSCGKSA-N 1 0 260.341 2.115 20 10 CECDRO CC(C)C[N@H+](C)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000845996344 641147173 /nfs/dbraw/zinc/14/71/73/641147173.db2.gz NQHGXWYJBIIHGJ-UHFFFAOYSA-N 1 0 295.383 2.368 20 10 CECDRO COc1ccc(O)c(C[NH+]2CCC(C3(O)CC3)CC2)c1 ZINC000846007855 641149478 /nfs/dbraw/zinc/14/94/78/641149478.db2.gz JIDAANSVDGDMPR-UHFFFAOYSA-N 1 0 277.364 2.138 20 10 CECDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000846019481 641154064 /nfs/dbraw/zinc/15/40/64/641154064.db2.gz ZNSDIPRVUHBVER-AAEUAGOBSA-N 1 0 267.369 2.288 20 10 CECDRO COC(=O)CC1([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000846027430 641156982 /nfs/dbraw/zinc/15/69/82/641156982.db2.gz OXRYYKYDCFRWEE-PLNGDYQASA-N 1 0 288.391 2.451 20 10 CECDRO COC(=O)CC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000846029203 641157364 /nfs/dbraw/zinc/15/73/64/641157364.db2.gz NBWDHZMTAXTYOJ-UHFFFAOYSA-N 1 0 263.337 2.189 20 10 CECDRO COCCOCCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846137031 641197518 /nfs/dbraw/zinc/19/75/18/641197518.db2.gz QLUJHNPLGQRRLK-GFCCVEGCSA-N 1 0 283.368 2.105 20 10 CECDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846143864 641200292 /nfs/dbraw/zinc/20/02/92/641200292.db2.gz INJOGQQFMYYTSK-GVXVVHGQSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C2COC(C)(C)OC2)c1O ZINC000846162440 641208151 /nfs/dbraw/zinc/20/81/51/641208151.db2.gz HKJNOWQZFKCJEG-SNVBAGLBSA-N 1 0 281.352 2.203 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC2(CO)CCC2)c1O ZINC000846161707 641208660 /nfs/dbraw/zinc/20/86/60/641208660.db2.gz BFGBRIXULWOFTH-LLVKDONJSA-N 1 0 265.353 2.214 20 10 CECDRO CCC1(C[NH2+][C@@H](C)c2cccc(OC)c2O)COC1 ZINC000846168833 641210073 /nfs/dbraw/zinc/21/00/73/641210073.db2.gz MMWVEGDVXUJXPR-NSHDSACASA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC2=CCCOC2)c1O ZINC000846170119 641211415 /nfs/dbraw/zinc/21/14/15/641211415.db2.gz IJDNNCIKVLPSIE-LLVKDONJSA-N 1 0 263.337 2.398 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)c(O)c1C ZINC000846192355 641219204 /nfs/dbraw/zinc/21/92/04/641219204.db2.gz HQOFQGRQMWLWEW-XJKSGUPXSA-N 1 0 279.380 2.201 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1O ZINC000846205641 641221013 /nfs/dbraw/zinc/22/10/13/641221013.db2.gz IRHPOXZVEQWXBF-QWRGUYRKSA-N 1 0 292.354 2.193 20 10 CECDRO C[C@@H]([NH2+][C@@H](CO)CCF)c1ccc(Cl)cc1O ZINC000846209982 641223043 /nfs/dbraw/zinc/22/30/43/641223043.db2.gz VEPJRASIVAFROI-PSASIEDQSA-N 1 0 261.724 2.417 20 10 CECDRO C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(F)ccc1O ZINC000846214134 641225392 /nfs/dbraw/zinc/22/53/92/641225392.db2.gz SKEUTHVDMOFDAV-NHYWBVRUSA-N 1 0 283.343 2.114 20 10 CECDRO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccccc1O ZINC000877255454 650644228 /nfs/dbraw/zinc/64/42/28/650644228.db2.gz DGIBUIMAFKGQTE-VIRABCJISA-N 1 0 288.391 2.490 20 10 CECDRO CCC[N@H+](Cc1cccc(C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179574037 641364579 /nfs/dbraw/zinc/36/45/79/641364579.db2.gz ZTXHSCATOAMXOO-AWEZNQCLSA-N 1 0 297.420 2.100 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000846663985 641381749 /nfs/dbraw/zinc/38/17/49/641381749.db2.gz UDCRSXGWVBCRFF-ZBFHGGJFSA-N 1 0 287.407 2.225 20 10 CECDRO COc1ccc(N2CC[NH+](CC3CC3)CC2)c(OC)c1 ZINC000846748361 641409902 /nfs/dbraw/zinc/40/99/02/641409902.db2.gz NDBQIJOSGWILBP-UHFFFAOYSA-N 1 0 276.380 2.236 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC000846887704 641468983 /nfs/dbraw/zinc/46/89/83/641468983.db2.gz DJZVQFFOIINPGH-UHFFFAOYSA-N 1 0 261.413 2.279 20 10 CECDRO CCn1ccnc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182404203 641655221 /nfs/dbraw/zinc/65/52/21/641655221.db2.gz LKBLMMJBUMPPQJ-NSHDSACASA-N 1 0 275.352 2.468 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@]2(C)CCCO2)cc1OC ZINC000182641063 641686837 /nfs/dbraw/zinc/68/68/37/641686837.db2.gz UCXAAGUSZOGGQG-HNNXBMFYSA-N 1 0 281.352 2.068 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCCN2CCC2)cc1 ZINC000848543568 642044822 /nfs/dbraw/zinc/04/48/22/642044822.db2.gz HEMUNGNKHVFUNW-ZZXKWVIFSA-N 1 0 273.424 2.451 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(O)(C(F)F)CC1 ZINC000877437789 650722363 /nfs/dbraw/zinc/72/23/63/650722363.db2.gz WAGWWZUVVHIPQA-UHFFFAOYSA-N 1 0 271.307 2.293 20 10 CECDRO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1ccc(C)cc1O ZINC000877461730 650729479 /nfs/dbraw/zinc/72/94/79/650729479.db2.gz GGBKCKRUCNNDPT-MRXNPFEDSA-N 1 0 276.380 2.191 20 10 CECDRO CCc1cccc(C[N@H+](C)Cc2cnn(C)c2)c1O ZINC000848880008 642166816 /nfs/dbraw/zinc/16/68/16/642166816.db2.gz LARNWDAGHQYENA-UHFFFAOYSA-N 1 0 259.353 2.320 20 10 CECDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c1O ZINC000848883114 642169479 /nfs/dbraw/zinc/16/94/79/642169479.db2.gz JOYRCIPJVWKDEJ-CQSZACIVSA-N 1 0 276.380 2.185 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](COCCOC)C2)c1O ZINC000848890672 642174603 /nfs/dbraw/zinc/17/46/03/642174603.db2.gz TYINGAJXHDTXPS-CQSZACIVSA-N 1 0 293.407 2.440 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC)C2)c1O ZINC000848894611 642176167 /nfs/dbraw/zinc/17/61/67/642176167.db2.gz LKPMPFHJGORRSU-CQSZACIVSA-N 1 0 292.379 2.275 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(CC)c2O)[C@@H]1OC ZINC000848902699 642180139 /nfs/dbraw/zinc/18/01/39/642180139.db2.gz GQBZKOOHNTWVHN-FMKPAKJESA-N 1 0 279.380 2.237 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(CC)c2O)[C@H]1OC ZINC000848902700 642180179 /nfs/dbraw/zinc/18/01/79/642180179.db2.gz GQBZKOOHNTWVHN-IIAWOOMASA-N 1 0 279.380 2.237 20 10 CECDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cccc(CC)c1O ZINC000848903501 642181500 /nfs/dbraw/zinc/18/15/00/642181500.db2.gz UTLMWUQELNFTBZ-CABCVRRESA-N 1 0 279.380 2.238 20 10 CECDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(C)cc2O)C1(C)C ZINC000877459823 650729069 /nfs/dbraw/zinc/72/90/69/650729069.db2.gz LURRYBVYEYLBPF-DOTOQJQBSA-N 1 0 293.407 2.356 20 10 CECDRO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000817982088 642192655 /nfs/dbraw/zinc/19/26/55/642192655.db2.gz XEPDMPGSFBFCPW-JOYOIKCWSA-N 1 0 256.296 2.040 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000848919826 642192894 /nfs/dbraw/zinc/19/28/94/642192894.db2.gz SYNYRZPPOVPURU-CQSZACIVSA-N 1 0 290.407 2.444 20 10 CECDRO Cc1n[nH]cc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921528994 642207293 /nfs/dbraw/zinc/20/72/93/642207293.db2.gz XCUWKDPIDLURBO-UHFFFAOYSA-N 1 0 257.337 2.333 20 10 CECDRO CN1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921594972 642256998 /nfs/dbraw/zinc/25/69/98/642256998.db2.gz YACXRVDLMIYANG-OAHLLOKOSA-N 1 0 260.381 2.195 20 10 CECDRO COCC[C@@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849321572 642327473 /nfs/dbraw/zinc/32/74/73/642327473.db2.gz IBSRQBPZOYQTFW-KGLIPLIRSA-N 1 0 278.396 2.289 20 10 CECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000084950148 642363626 /nfs/dbraw/zinc/36/36/26/642363626.db2.gz XLWMPEIUPZAYSH-AWEZNQCLSA-N 1 0 276.380 2.138 20 10 CECDRO Cn1nc2c(c1C[NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC000921652038 642399977 /nfs/dbraw/zinc/39/99/77/642399977.db2.gz WBDZLMQJORVPOH-UHFFFAOYSA-N 1 0 283.375 2.134 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/nfs/dbraw/zinc/69/55/68/642695568.db2.gz GMHFMPYIPGQJFW-GJZGRUSLSA-N 1 0 259.349 2.015 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000850395903 642700248 /nfs/dbraw/zinc/70/02/48/642700248.db2.gz DQBJINDYADCSOX-MRXNPFEDSA-N 1 0 290.407 2.044 20 10 CECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(C)cc1O ZINC000877549161 650782088 /nfs/dbraw/zinc/78/20/88/650782088.db2.gz IAQLMNYTUIYRFI-ZDUSSCGKSA-N 1 0 278.396 2.343 20 10 CECDRO CC[C@@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000850529757 642743215 /nfs/dbraw/zinc/74/32/15/642743215.db2.gz SRANUMIRXQFOQA-KKZNHRDASA-N 1 0 253.317 2.440 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](CO)CC2CC2)c1O ZINC000850546412 642748326 /nfs/dbraw/zinc/74/83/26/642748326.db2.gz LRXZEBHZRGDWHP-WCQYABFASA-N 1 0 279.380 2.460 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000850548538 642749114 /nfs/dbraw/zinc/74/91/14/642749114.db2.gz UVCUXHXHNYTAJS-MWLCHTKSSA-N 1 0 296.342 2.367 20 10 CECDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922161593 642921764 /nfs/dbraw/zinc/92/17/64/642921764.db2.gz DSLHSRAEOLWHSA-ZDUSSCGKSA-N 1 0 285.391 2.466 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C[NH2+]C(C)C)cc1 ZINC000851631253 643098769 /nfs/dbraw/zinc/09/87/69/643098769.db2.gz ZGTQSXAHKIBRLI-UHFFFAOYSA-N 1 0 277.412 2.147 20 10 CECDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000922512778 643102377 /nfs/dbraw/zinc/10/23/77/643102377.db2.gz WMYPFZAZKXNCHA-KXGXSXBTSA-N 1 0 261.321 2.255 20 10 CECDRO C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)CCN1C ZINC000922554309 643122937 /nfs/dbraw/zinc/12/29/37/643122937.db2.gz INFFTKSXSINOMC-SWFLQVRRSA-N 1 0 273.424 2.448 20 10 CECDRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CCN1C ZINC000922554736 643123904 /nfs/dbraw/zinc/12/39/04/643123904.db2.gz MJCHOKFNOPSTDE-HZMBPMFUSA-N 1 0 283.366 2.213 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(CO)CCC2)c1 ZINC000186547070 643144667 /nfs/dbraw/zinc/14/46/67/643144667.db2.gz ILDQBYPRGSZBHO-LLVKDONJSA-N 1 0 265.353 2.214 20 10 CECDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1c(O)cccc1Cl ZINC000922590886 643148338 /nfs/dbraw/zinc/14/83/38/643148338.db2.gz WLDRNGQWFHFMEN-LBPRGKRZSA-N 1 0 298.814 2.246 20 10 CECDRO C[N@H+](CCO[C@H]1CC1(F)F)Cc1ccccc1O ZINC000851840360 643186046 /nfs/dbraw/zinc/18/60/46/643186046.db2.gz DMVVSDQWSJSNPH-LBPRGKRZSA-N 1 0 257.280 2.248 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C[C@@H]1C ZINC000877635691 650826902 /nfs/dbraw/zinc/82/69/02/650826902.db2.gz BRDFTQSGYKIXEU-GXTWGEPZSA-N 1 0 277.364 2.332 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)C ZINC000086697470 643379652 /nfs/dbraw/zinc/37/96/52/643379652.db2.gz KEWXZRDKSKTRCU-KRWDZBQOSA-N 1 0 292.423 2.284 20 10 CECDRO CN(C)c1ccc(CNC(=O)c2cccc3c2C[NH2+]C3)cc1 ZINC000852775654 643546927 /nfs/dbraw/zinc/54/69/27/643546927.db2.gz ZMNPSIRVIBNZOA-UHFFFAOYSA-N 1 0 295.386 2.286 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1OC ZINC000877683321 650848189 /nfs/dbraw/zinc/84/81/89/650848189.db2.gz WEQTYNYDNALXQX-JBLDHEPKSA-N 1 0 281.352 2.065 20 10 CECDRO O=C(C=C1CC[NH2+]CC1)N1CC2(CC2)c2ccccc21 ZINC000852843442 643574834 /nfs/dbraw/zinc/57/48/34/643574834.db2.gz XXEYJLHMPGIDGW-UHFFFAOYSA-N 1 0 268.360 2.375 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CN3CCC2CC3)c1 ZINC000877705969 650861932 /nfs/dbraw/zinc/86/19/32/650861932.db2.gz BZVUEUPNGPGJAD-INIZCTEOSA-N 1 0 290.407 2.317 20 10 CECDRO CN1CC(C[N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000853555996 643813005 /nfs/dbraw/zinc/81/30/05/643813005.db2.gz UUODJMPZOSRJKD-UHFFFAOYSA-N 1 0 292.423 2.389 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1C ZINC000853586293 643823903 /nfs/dbraw/zinc/82/39/03/643823903.db2.gz OOINFKKSUDYMHB-ZFWWWQNUSA-N 1 0 261.365 2.477 20 10 CECDRO COc1cccc(C[NH2+]Cc2c(C)nn(C)c2C)c1O ZINC000112018060 644016195 /nfs/dbraw/zinc/01/61/95/644016195.db2.gz DXHJBJKJASHHFQ-UHFFFAOYSA-N 1 0 275.352 2.041 20 10 CECDRO Cc1cc(C)c([C@@H](C)NCC23CC(C2)C[NH2+]3)c(O)c1 ZINC000854228297 644017440 /nfs/dbraw/zinc/01/74/40/644017440.db2.gz UNQVEHNQUCELTH-VEAWUBTESA-N 1 0 260.381 2.412 20 10 CECDRO CCOc1ccc(O)c(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877743571 650889058 /nfs/dbraw/zinc/88/90/58/650889058.db2.gz LDWKPFMVCQBOQU-CZUORRHYSA-N 1 0 290.407 2.317 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)[C@@H]1SC ZINC000838948545 644079933 /nfs/dbraw/zinc/07/99/33/644079933.db2.gz UDVCEJSMYQOADF-YUELXQCFSA-N 1 0 297.420 2.399 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1F ZINC000877744698 650890635 /nfs/dbraw/zinc/89/06/35/650890635.db2.gz WZWJQPZWFSMHHB-ZBFHGGJFSA-N 1 0 291.414 2.418 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CC3(CC(F)C3)C1)OCO2 ZINC000839140058 644172350 /nfs/dbraw/zinc/17/23/50/644172350.db2.gz NGQOXHBFYAUPRO-UHFFFAOYSA-N 1 0 265.284 2.055 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C2(CO)CCSCC2)c1 ZINC000839174025 644180263 /nfs/dbraw/zinc/18/02/63/644180263.db2.gz BMHJJNDKAYNBBP-UHFFFAOYSA-N 1 0 267.394 2.048 20 10 CECDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C12CCC2 ZINC000839182690 644181130 /nfs/dbraw/zinc/18/11/30/644181130.db2.gz PAXABGJZFBMALA-LSDHHAIUSA-N 1 0 291.347 2.168 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCNC2=O)cc1 ZINC000839197092 644190401 /nfs/dbraw/zinc/19/04/01/644190401.db2.gz ZVQFFKCVTUGRKO-OAHLLOKOSA-N 1 0 289.423 2.149 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000877755746 650899056 /nfs/dbraw/zinc/89/90/56/650899056.db2.gz LVXKAIMYSOWZSE-FPQZTECRSA-N 1 0 263.337 2.240 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC(C)(C)OC[C@@H]2C)c1 ZINC000754155923 644331812 /nfs/dbraw/zinc/33/18/12/644331812.db2.gz LRXLXFAZAZPMKK-NSHDSACASA-N 1 0 265.353 2.400 20 10 CECDRO C[S@](=O)c1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000754333398 644357234 /nfs/dbraw/zinc/35/72/34/644357234.db2.gz CZICCVXCCVEYSP-IBGZPJMESA-N 1 0 275.373 2.419 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000754726981 644421456 /nfs/dbraw/zinc/42/14/56/644421456.db2.gz CTXPNTIIZYKONF-LBPRGKRZSA-N 1 0 263.337 2.004 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCO2)c2c1c(F)ccc2O ZINC000756433586 644648451 /nfs/dbraw/zinc/64/84/51/644648451.db2.gz DLZMJWYGTUMHDW-CKYFFXLPSA-N 1 0 281.327 2.085 20 10 CECDRO COCCOCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756462681 644651377 /nfs/dbraw/zinc/65/13/77/644651377.db2.gz YPCKEVUJOZSPIO-PWSUYJOCSA-N 1 0 283.343 2.332 20 10 CECDRO COC1CCN(CC[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000756643962 644677715 /nfs/dbraw/zinc/67/77/15/644677715.db2.gz WNZHOBXHVSCWOQ-CQSZACIVSA-N 1 0 292.423 2.462 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c1 ZINC000857061142 644805887 /nfs/dbraw/zinc/80/58/87/644805887.db2.gz KPPBDYZPACLYJW-OCCSQVGLSA-N 1 0 279.380 2.241 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000857067705 644809146 /nfs/dbraw/zinc/80/91/46/644809146.db2.gz FUAHEUQOWFILJA-GFCCVEGCSA-N 1 0 282.771 2.064 20 10 CECDRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Cl)ccc1O ZINC000757659870 644832844 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ZINC000858171343 645080325 /nfs/dbraw/zinc/08/03/25/645080325.db2.gz PWPITPOZUCCPDR-UHFFFAOYSA-N 1 0 282.334 2.467 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)C[C@H]2CCOC2)c1O ZINC000759836819 645081006 /nfs/dbraw/zinc/08/10/06/645081006.db2.gz KNKHPZKQBHZLJQ-NWDGAFQWSA-N 1 0 265.353 2.306 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@H](CO)C2CCC2)cc1F ZINC000858186821 645083910 /nfs/dbraw/zinc/08/39/10/645083910.db2.gz MQGIIMJSJIEEHJ-CQSZACIVSA-N 1 0 284.350 2.281 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000858237296 645095740 /nfs/dbraw/zinc/09/57/40/645095740.db2.gz JGZWBEAGDRVJQJ-UHFFFAOYSA-N 1 0 298.390 2.381 20 10 CECDRO COC(=O)c1cc(C[NH2+]Cc2cc(C)ccc2O)c[nH]1 ZINC000858236914 645095896 /nfs/dbraw/zinc/09/58/96/645095896.db2.gz AMOWQZGANXPKEK-UHFFFAOYSA-N 1 0 274.320 2.105 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c(O)c1 ZINC000858297408 645110467 /nfs/dbraw/zinc/11/04/67/645110467.db2.gz CWRYSAZZYQPLPV-XJKSGUPXSA-N 1 0 277.364 2.448 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@@H]2CCCN2C)ccc1OC ZINC000858307708 645112781 /nfs/dbraw/zinc/11/27/81/645112781.db2.gz PFQPYLPUCCHEJB-INIZCTEOSA-N 1 0 292.423 2.416 20 10 CECDRO CN(CC[NH2+]Cc1c(O)cccc1Cl)CC(F)F ZINC000858336473 645124306 /nfs/dbraw/zinc/12/43/06/645124306.db2.gz IXYGHIWCOMHFQS-UHFFFAOYSA-N 1 0 278.730 2.332 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)cc1C ZINC000858342425 645125959 /nfs/dbraw/zinc/12/59/59/645125959.db2.gz MFHQNTIJPJJHIP-OAHLLOKOSA-N 1 0 288.391 2.247 20 10 CECDRO C[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H](C)[NH2+]1 ZINC000116131153 645180465 /nfs/dbraw/zinc/18/04/65/645180465.db2.gz QDWNCWOOKKQAAM-AOOOYVTPSA-N 1 0 299.212 2.337 20 10 CECDRO C[C@@H]([NH2+]CCn1ccccc1=O)c1ccc(N(C)C)cc1 ZINC000765396024 645763360 /nfs/dbraw/zinc/76/33/60/645763360.db2.gz LAGFKROYDYMTNS-CQSZACIVSA-N 1 0 285.391 2.265 20 10 CECDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)CC1(CO)CCCC1 ZINC000878241300 651043497 /nfs/dbraw/zinc/04/34/97/651043497.db2.gz DPQMTWTWTRYXBF-HNNXBMFYSA-N 1 0 293.407 2.128 20 10 CECDRO C[C@H](CC(N)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000765791431 645810823 /nfs/dbraw/zinc/81/08/23/645810823.db2.gz RIXGLCICHNIFLC-GFCCVEGCSA-N 1 0 284.359 2.413 20 10 CECDRO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000765898619 645819917 /nfs/dbraw/zinc/81/99/17/645819917.db2.gz IPILAPGGFYNFKZ-CABCVRRESA-N 1 0 292.423 2.456 20 10 CECDRO CCCC[N@H+](CCO)Cc1ccc(OCC)cc1O ZINC000768140925 646088729 /nfs/dbraw/zinc/08/87/29/646088729.db2.gz ZNDGMQYTJVMJCU-UHFFFAOYSA-N 1 0 267.369 2.385 20 10 CECDRO CCOc1ccc(C[NH+]2CCSCC2)c(O)c1 ZINC000768236914 646099785 /nfs/dbraw/zinc/09/97/85/646099785.db2.gz MGVSEJFDPJNPHX-UHFFFAOYSA-N 1 0 253.367 2.340 20 10 CECDRO COCCOCC[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000808237389 646112560 /nfs/dbraw/zinc/11/25/60/646112560.db2.gz ODLDDXBWJPCMLB-UHFFFAOYSA-N 1 0 293.407 2.366 20 10 CECDRO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C[C@H]1CCOC1 ZINC000768448617 646123853 /nfs/dbraw/zinc/12/38/53/646123853.db2.gz SWGIDWCVJWKHLT-GFCCVEGCSA-N 1 0 295.379 2.268 20 10 CECDRO CC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CCC1 ZINC000768448776 646124019 /nfs/dbraw/zinc/12/40/19/646124019.db2.gz WNDDHWWHAZKSFR-AWEZNQCLSA-N 1 0 263.337 2.192 20 10 CECDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCS1 ZINC000768463063 646126403 /nfs/dbraw/zinc/12/64/03/646126403.db2.gz FPFOTVLJCBEECH-ZDUSSCGKSA-N 1 0 295.404 2.145 20 10 CECDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000769281387 646235698 /nfs/dbraw/zinc/23/56/98/646235698.db2.gz YXSAMGHXRRTZSO-CQSZACIVSA-N 1 0 276.380 2.225 20 10 CECDRO COc1cccc(C[N@H+](C)[C@H]2CCN(C3CC3)C2)c1O ZINC000769326400 646245964 /nfs/dbraw/zinc/24/59/64/646245964.db2.gz LKHGZXRSUKQLDM-AWEZNQCLSA-N 1 0 276.380 2.069 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C2)c(O)c1 ZINC000769445620 646267876 /nfs/dbraw/zinc/26/78/76/646267876.db2.gz ITMXYOSPAZTLRE-CYBMUJFWSA-N 1 0 251.326 2.012 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c(O)c1 ZINC000769468987 646273581 /nfs/dbraw/zinc/27/35/81/646273581.db2.gz RUUOXJIKSUJPLQ-OAHLLOKOSA-N 1 0 265.353 2.138 20 10 CECDRO CCOC[C@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769531922 646283679 /nfs/dbraw/zinc/28/36/79/646283679.db2.gz FWVBUFOPKGXQBO-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO C/C=C\C[C@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000769936074 646336604 /nfs/dbraw/zinc/33/66/04/646336604.db2.gz CYZGVMQQRURFFM-MXQLGCADSA-N 1 0 255.745 2.462 20 10 CECDRO COC[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862244234 646376340 /nfs/dbraw/zinc/37/63/40/646376340.db2.gz KNPRLVUWEXECAM-NSHDSACASA-N 1 0 284.350 2.499 20 10 CECDRO OCC[C@@H]1CSCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000770304223 646378038 /nfs/dbraw/zinc/37/80/38/646378038.db2.gz KYJSWWKEFGDLOW-SNVBAGLBSA-N 1 0 287.812 2.345 20 10 CECDRO CN(C)c1cc(F)c(CN(C)CC[NH+](C)C)cc1F ZINC000862367122 646416930 /nfs/dbraw/zinc/41/69/30/646416930.db2.gz WSNQNMZHNKSYRR-UHFFFAOYSA-N 1 0 271.355 2.024 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2cc(OCC)ccc2O)CC1 ZINC000770666358 646423384 /nfs/dbraw/zinc/42/33/84/646423384.db2.gz ZIPUZBOQSFFEEE-UHFFFAOYSA-N 1 0 293.363 2.224 20 10 CECDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000862488625 646478269 /nfs/dbraw/zinc/47/82/69/646478269.db2.gz NDKAPQSYKFRHQW-CQSZACIVSA-N 1 0 275.348 2.442 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1O ZINC000862526468 646483382 /nfs/dbraw/zinc/48/33/82/646483382.db2.gz BKOSWHNIVMHMHZ-SIFCLUCFSA-N 1 0 293.432 2.440 20 10 CECDRO C[N@H+](Cc1c(O)ccc2ccncc21)CC1(C)COC1 ZINC000863299040 646699300 /nfs/dbraw/zinc/69/93/00/646699300.db2.gz TVBNVEYBXDLIPJ-UHFFFAOYSA-N 1 0 272.348 2.409 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)cc1 ZINC000773104976 646707051 /nfs/dbraw/zinc/70/70/51/646707051.db2.gz PMHJKATVJIKPPW-OLZOCXBDSA-N 1 0 298.452 2.226 20 10 CECDRO C[C@H]1CC[C@@H](NCc2cc(Br)ccc2O)C[NH2+]1 ZINC000863485620 646740338 /nfs/dbraw/zinc/74/03/38/646740338.db2.gz NUGJQGWNDDXUKB-JOYOIKCWSA-N 1 0 299.212 2.385 20 10 CECDRO CCOc1ccc(CN[C@@H]2CC[NH2+][C@H]2CC)c(O)c1 ZINC000863484474 646740723 /nfs/dbraw/zinc/74/07/23/646740723.db2.gz ZXMQHFVBMOPLKN-UONOGXRCSA-N 1 0 264.369 2.021 20 10 CECDRO COc1ccc([C@@H](C[NH3+])CN(C)c2ccc(N)cc2)cc1 ZINC000863558783 646756162 /nfs/dbraw/zinc/75/61/62/646756162.db2.gz XLPVPZXKHMZTDT-AWEZNQCLSA-N 1 0 285.391 2.456 20 10 CECDRO CCN(C)c1ccc(C[NH+]2CCC(O)(COC)CC2)cc1 ZINC000773790393 646776231 /nfs/dbraw/zinc/77/62/31/646776231.db2.gz JCBURWFBPPJDPT-UHFFFAOYSA-N 1 0 292.423 2.116 20 10 CECDRO CCN(CC[NH3+])Cc1ccc(N(CC)CC)c(F)c1 ZINC000863644947 646776548 /nfs/dbraw/zinc/77/65/48/646776548.db2.gz NAKLXCZZFAJFKT-UHFFFAOYSA-N 1 0 267.392 2.453 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1O ZINC000775131819 646926059 /nfs/dbraw/zinc/92/60/59/646926059.db2.gz WKFMYZQGNFPONS-UONOGXRCSA-N 1 0 287.359 2.483 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccccc1O ZINC000775416250 646952708 /nfs/dbraw/zinc/95/27/08/646952708.db2.gz XMMGVVCFTUFQFX-HIFRSBDPSA-N 1 0 279.380 2.220 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccccc1O ZINC000775499177 646960881 /nfs/dbraw/zinc/96/08/81/646960881.db2.gz PJOPINMQSJBBRM-UKRRQHHQSA-N 1 0 278.396 2.154 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccccc1O ZINC000775513889 646961433 /nfs/dbraw/zinc/96/14/33/646961433.db2.gz VXLYLEAONOMSOW-ZDUSSCGKSA-N 1 0 285.347 2.127 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000775674885 646979538 /nfs/dbraw/zinc/97/95/38/646979538.db2.gz NOUGLGFPFSVKIC-CQSZACIVSA-N 1 0 287.363 2.434 20 10 CECDRO Cc1cccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1O ZINC000775727049 646984819 /nfs/dbraw/zinc/98/48/19/646984819.db2.gz GOXHEUKEYCQTMB-MRXNPFEDSA-N 1 0 291.391 2.471 20 10 CECDRO C[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(N(C)C)cc1 ZINC000775832335 646997108 /nfs/dbraw/zinc/99/71/08/646997108.db2.gz ZBTZLLSGMLYIAM-CYBMUJFWSA-N 1 0 289.423 2.272 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)[C@H]1OC ZINC000775979232 647012561 /nfs/dbraw/zinc/01/25/61/647012561.db2.gz SUZRPPOKZBISCK-FVQBIDKESA-N 1 0 279.380 2.291 20 10 CECDRO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccc(N(C)C)cc1 ZINC000776168030 647030042 /nfs/dbraw/zinc/03/00/42/647030042.db2.gz AGBHIQJHHHPBDI-CYBMUJFWSA-N 1 0 299.422 2.459 20 10 CECDRO CN(C)c1nccc(C[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000776495905 647066953 /nfs/dbraw/zinc/06/69/53/647066953.db2.gz FADPHZCLIBJVCO-UHFFFAOYSA-N 1 0 292.770 2.191 20 10 CECDRO C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccccc1O ZINC000779060676 647284621 /nfs/dbraw/zinc/28/46/21/647284621.db2.gz HXZMTXTWBQHKPI-RYUDHWBXSA-N 1 0 257.337 2.254 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1F ZINC000120652022 647392283 /nfs/dbraw/zinc/39/22/83/647392283.db2.gz UUNRMAPDIZVCPZ-ZDUSSCGKSA-N 1 0 293.386 2.122 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1 ZINC000865694644 647427610 /nfs/dbraw/zinc/42/76/10/647427610.db2.gz VEBNVPOTCSOBAO-HMQJSBQHSA-N 1 0 259.349 2.214 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)C(F)(F)F ZINC000865711615 647433980 /nfs/dbraw/zinc/43/39/80/647433980.db2.gz PKGWFZRXYPBRAZ-PELKAZGASA-N 1 0 275.270 2.023 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](O)C(F)(F)F ZINC000865712467 647434717 /nfs/dbraw/zinc/43/47/17/647434717.db2.gz YHSMYVMMLVPYEX-PELKAZGASA-N 1 0 294.292 2.293 20 10 CECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865871624 647514627 /nfs/dbraw/zinc/51/46/27/647514627.db2.gz NNZWUVMAPPJXOH-HOCLYGCPSA-N 1 0 292.423 2.162 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCOCC3(CC3)C2)c1O ZINC000782302493 647611044 /nfs/dbraw/zinc/61/10/44/647611044.db2.gz VFEZGSJWBCWUGM-UHFFFAOYSA-N 1 0 277.364 2.322 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)C[C@H](C)O)c(O)c1 ZINC000782977135 647667754 /nfs/dbraw/zinc/66/77/54/647667754.db2.gz BYRIHBZSDVLKOB-QWRGUYRKSA-N 1 0 253.342 2.040 20 10 CECDRO CC[C@H]([NH2+]C1CN(c2ccncn2)C1)c1ccccc1O ZINC000866495464 647805976 /nfs/dbraw/zinc/80/59/76/647805976.db2.gz CYQGCBULJSYLFH-AWEZNQCLSA-N 1 0 284.363 2.112 20 10 CECDRO CCOc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c(O)c1 ZINC000784641318 647870978 /nfs/dbraw/zinc/87/09/78/647870978.db2.gz XKDNJWVPEOVHPS-ABAIWWIYSA-N 1 0 265.353 2.448 20 10 CECDRO CCOc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C)c(O)c1 ZINC000784641319 647871154 /nfs/dbraw/zinc/87/11/54/647871154.db2.gz XKDNJWVPEOVHPS-IAQYHMDHSA-N 1 0 265.353 2.448 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2(CO)CCC2)cc1F ZINC000784675477 647874459 /nfs/dbraw/zinc/87/44/59/647874459.db2.gz OBGVCYQQGCDGEY-UHFFFAOYSA-N 1 0 266.360 2.144 20 10 CECDRO CCOc1ccc(C[NH2+]CC2(CO)CCC2)c(O)c1 ZINC000784673674 647874700 /nfs/dbraw/zinc/87/47/00/647874700.db2.gz IIUODVWYQDBFSK-UHFFFAOYSA-N 1 0 265.353 2.043 20 10 CECDRO COC(=O)C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000785791672 647957705 /nfs/dbraw/zinc/95/77/05/647957705.db2.gz HWEMWVWSLVOBLG-HNNXBMFYSA-N 1 0 276.380 2.184 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)[C@@H]1C ZINC000787237371 648089580 /nfs/dbraw/zinc/08/95/80/648089580.db2.gz FURWTULQBKIRED-TZMCWYRMSA-N 1 0 277.364 2.392 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000787421826 648107576 /nfs/dbraw/zinc/10/75/76/648107576.db2.gz XFPYCGRKSXQSCV-YPMHNXCESA-N 1 0 294.370 2.275 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)[C@@H]1C ZINC000787420674 648107983 /nfs/dbraw/zinc/10/79/83/648107983.db2.gz KIVASMJBJVRQBP-SKDRFNHKSA-N 1 0 283.755 2.429 20 10 CECDRO C[C@@]1(CO)CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000789558306 648312389 /nfs/dbraw/zinc/31/23/89/648312389.db2.gz WEUSHSXRUIHFDF-ZDUSSCGKSA-N 1 0 255.745 2.392 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000790457633 648419761 /nfs/dbraw/zinc/41/97/61/648419761.db2.gz FOIAXUMDISATTI-OAHLLOKOSA-N 1 0 288.391 2.206 20 10 CECDRO COc1c(O)c(C[NH+]2[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000793228728 648726916 /nfs/dbraw/zinc/72/69/16/648726916.db2.gz PVJZSUQLSUYWDO-RKDXNWHRSA-N 1 0 266.297 2.292 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000872140971 649290055 /nfs/dbraw/zinc/29/00/55/649290055.db2.gz GKIYXJUTCRJXOM-RGYTYGDFSA-N 1 0 291.391 2.071 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCCCN(C)C2=O)cc1C ZINC000872673872 649454344 /nfs/dbraw/zinc/45/43/44/649454344.db2.gz RCJYLTNVSCMNPT-HNNXBMFYSA-N 1 0 290.407 2.452 20 10 CECDRO CCCOc1ccc(C[NH2+]CC[C@@H](O)COC)cc1C ZINC000873099501 649558093 /nfs/dbraw/zinc/55/80/93/649558093.db2.gz KZRRNHKPGFYOLI-OAHLLOKOSA-N 1 0 281.396 2.271 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@](C)(CO)OC)cc1C ZINC000873132810 649566047 /nfs/dbraw/zinc/56/60/47/649566047.db2.gz GVMFPHLIHJLZBY-INIZCTEOSA-N 1 0 281.396 2.271 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000873156084 649573605 /nfs/dbraw/zinc/57/36/05/649573605.db2.gz OUTCVUOFXRYVIN-NSHDSACASA-N 1 0 265.353 2.306 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)c1O ZINC000873157173 649574181 /nfs/dbraw/zinc/57/41/81/649574181.db2.gz SQCNVBCXDZJCIL-XBFCOCLRSA-N 1 0 277.364 2.448 20 10 CECDRO O=C1OCC[C@H]1CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000873162498 649576001 /nfs/dbraw/zinc/57/60/01/649576001.db2.gz MWWXIPXOHAPTCU-SNVBAGLBSA-N 1 0 283.755 2.479 20 10 CECDRO CCOc1cccc(C[NH2+]CCC[C@H]2CCOC2=O)c1O ZINC000873162674 649576160 /nfs/dbraw/zinc/57/61/60/649576160.db2.gz NXRCRZZYQLZSPM-LBPRGKRZSA-N 1 0 293.363 2.224 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)[C@H](CO)C1 ZINC000879150293 651251569 /nfs/dbraw/zinc/25/15/69/651251569.db2.gz UKSQXMXWJPUYST-CJNGLKHVSA-N 1 0 262.397 2.345 20 10 CECDRO CO[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@@](C)(CO)C1 ZINC000879261425 651272505 /nfs/dbraw/zinc/27/25/05/651272505.db2.gz KGBLYOSVXKSPMG-NVXWUHKLSA-N 1 0 292.423 2.033 20 10 CECDRO CC(C)OCC[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649323 651335263 /nfs/dbraw/zinc/33/52/63/651335263.db2.gz NESDVBVVCLJNJQ-CHWSQXEVSA-N 1 0 267.369 2.219 20 10 CECDRO CCCCNC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000879648473 651335357 /nfs/dbraw/zinc/33/53/57/651335357.db2.gz QOUZMSSUVFMBKL-GFCCVEGCSA-N 1 0 264.369 2.349 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NC1CCCCC1)c1ccccc1O ZINC000879649287 651335421 /nfs/dbraw/zinc/33/54/21/651335421.db2.gz PKWXUYWRRIPHTF-GFCCVEGCSA-N 1 0 276.380 2.492 20 10 CECDRO C[NH2+]C[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000128315481 651410378 /nfs/dbraw/zinc/41/03/78/651410378.db2.gz QYTFQCUPJHGXED-NSHDSACASA-N 1 0 268.788 2.477 20 10 CECDRO CCOc1cccc(CN(C)CCC[NH+](C)C)c1O ZINC000211451023 651639084 /nfs/dbraw/zinc/63/90/84/651639084.db2.gz NKRATZVUUQBVCN-UHFFFAOYSA-N 1 0 266.385 2.174 20 10 CECDRO CCOc1cccc(C[NH2+]CC[C@H](C)[S@](C)=O)c1O ZINC000129336074 651918293 /nfs/dbraw/zinc/91/82/93/651918293.db2.gz TVMOTDHZALTPLP-JEOXALJRSA-N 1 0 285.409 2.038 20 10 CECDRO CC(C)(C)n1ncnc1CNCc1cc(F)cc(F)c1[O-] ZINC000883112839 652366203 /nfs/dbraw/zinc/36/62/03/652366203.db2.gz ZNFXWISSHSPRRQ-UHFFFAOYSA-N 1 0 296.321 2.307 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccncc2N)c1 ZINC000883156807 652382263 /nfs/dbraw/zinc/38/22/63/652382263.db2.gz ZYHUWRHABJYCGK-SNVBAGLBSA-N 1 0 273.336 2.229 20 10 CECDRO Cc1cccc(NCC[NH2+]Cc2ccccc2O)n1 ZINC000133485217 652634448 /nfs/dbraw/zinc/63/44/48/652634448.db2.gz UHVKSOJGODTDAN-UHFFFAOYSA-N 1 0 257.337 2.297 20 10 CECDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)c1ccc(N)cc1 ZINC000884441885 652852720 /nfs/dbraw/zinc/85/27/20/652852720.db2.gz RUIRBTSGPAMDAR-CYBMUJFWSA-N 1 0 263.385 2.241 20 10 CECDRO CC1CC[NH+](CC(=O)N(C)Cc2ccccc2O)CC1 ZINC000136180008 653049058 /nfs/dbraw/zinc/04/90/58/653049058.db2.gz VPOQKQACWBRPAL-UHFFFAOYSA-N 1 0 276.380 2.083 20 10 CECDRO COc1ccc2ccc(O)c(CN3CC(C)([NH3+])C3)c2c1 ZINC001204986563 805754767 /nfs/dbraw/zinc/75/47/67/805754767.db2.gz ZETHADONZWGQFE-UHFFFAOYSA-N 1 0 272.348 2.087 20 10 CECDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001168241530 806433050 /nfs/dbraw/zinc/43/30/50/806433050.db2.gz JTGZFMHBTHIUJD-CQSZACIVSA-N 1 0 285.343 2.363 20 10 CECDRO [O-]c1c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc(F)c1F ZINC000703349673 809643713 /nfs/dbraw/zinc/64/37/13/809643713.db2.gz ZDNOIEFEEYKRGM-NWDGAFQWSA-N 1 0 282.334 2.387 20 10 CECDRO CC1(C)C[NH2+]CCN1Cc1c(O)cccc1Br ZINC000706855774 802842836 /nfs/dbraw/zinc/84/28/36/802842836.db2.gz RSINROOZIBVMOO-UHFFFAOYSA-N 1 0 299.212 2.339 20 10 CECDRO C[C@H]1CN(Cc2c(O)cccc2Br)[C@@H](C)C[NH2+]1 ZINC000706867082 802847345 /nfs/dbraw/zinc/84/73/45/802847345.db2.gz OJBBKHJHUCDHSG-UWVGGRQHSA-N 1 0 299.212 2.337 20 10 CECDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC2(COC2)C1 ZINC001140463095 802936643 /nfs/dbraw/zinc/93/66/43/802936643.db2.gz SECJYLBAXXVQCF-UHFFFAOYSA-N 1 0 253.729 2.268 20 10 CECDRO CCN1CC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000712594701 814754357 /nfs/dbraw/zinc/75/43/57/814754357.db2.gz ODLPVNLGMPGTCK-JTQLQIEISA-N 1 0 254.761 2.229 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1O ZINC000690800021 803617322 /nfs/dbraw/zinc/61/73/22/803617322.db2.gz WORUMWIYSBTYKI-CABCVRRESA-N 1 0 261.365 2.423 20 10 CECDRO Cc1ccc(C[NH+]2CCN(c3nccs3)CC2)c(O)c1 ZINC001140947881 803621675 /nfs/dbraw/zinc/62/16/75/803621675.db2.gz JHBOHJLFLBATFI-UHFFFAOYSA-N 1 0 289.404 2.479 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)c1 ZINC000397117929 803784792 /nfs/dbraw/zinc/78/47/92/803784792.db2.gz JYCGYJHRZLWNEQ-IAQYHMDHSA-N 1 0 265.353 2.478 20 10 CECDRO C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001117953812 814968845 /nfs/dbraw/zinc/96/88/45/814968845.db2.gz QQLVZDCEQKPLPS-AWEZNQCLSA-N 1 0 261.413 2.232 20 10 CECDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1=O ZINC000722360808 804381804 /nfs/dbraw/zinc/38/18/04/804381804.db2.gz BNXCRQFYVJAEPA-TZMCWYRMSA-N 1 0 276.380 2.362 20 10 CECDRO CCc1cccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000698600452 807252933 /nfs/dbraw/zinc/25/29/33/807252933.db2.gz MLJZZZKPYOPJII-LBPRGKRZSA-N 1 0 277.286 2.358 20 10 CECDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc(Cl)c(O)cc1O ZINC001205074882 807382436 /nfs/dbraw/zinc/38/24/36/807382436.db2.gz BNQSQRBBQWHRFL-WPRPVWTQSA-N 1 0 270.760 2.063 20 10 CECDRO CC(C)(C)c1cccc(CN2C[C@@H]3C[C@]3([NH3+])C2)c1O ZINC001236030728 807944221 /nfs/dbraw/zinc/94/42/21/807944221.db2.gz RYSOBRBILCETIY-LRDDRELGSA-N 1 0 260.381 2.223 20 10 CECDRO CCc1ccc(CN2CC[NH2+]C[C@H]2C(F)(F)F)c(O)c1 ZINC001236984322 808186477 /nfs/dbraw/zinc/18/64/77/808186477.db2.gz YEQZIDGVRLDSPK-ZDUSSCGKSA-N 1 0 288.313 2.291 20 10 CECDRO Nc1ccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1 ZINC001120371222 815217138 /nfs/dbraw/zinc/21/71/38/815217138.db2.gz CERNTGBSDMEBMO-MRXNPFEDSA-N 1 0 287.407 2.246 20 10 CECDRO CC1(C)C[NH2+]C[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC001120371552 815217447 /nfs/dbraw/zinc/21/74/47/815217447.db2.gz IWIGOVFHAQQAQF-MRXNPFEDSA-N 1 0 273.424 2.374 20 10 CECDRO Oc1ccccc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001203558416 808727525 /nfs/dbraw/zinc/72/75/25/808727525.db2.gz HPTIOFJGGOPIHO-ZDUSSCGKSA-N 1 0 269.291 2.392 20 10 CECDRO c1cn2c(n1)C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000922016952 809011841 /nfs/dbraw/zinc/01/18/41/809011841.db2.gz KNUQICHLBJUCPC-OAHLLOKOSA-N 1 0 283.375 2.313 20 10 CECDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001117788946 809265215 /nfs/dbraw/zinc/26/52/15/809265215.db2.gz CLGGFJGTVHEITI-HNNXBMFYSA-N 1 0 262.397 2.490 20 10 CECDRO CN(C)c1ccc(CN(c2nccnc2C[NH3+])C2CC2)cc1 ZINC001120804285 815278012 /nfs/dbraw/zinc/27/80/12/815278012.db2.gz QXEBAKZMUXUYRC-UHFFFAOYSA-N 1 0 297.406 2.170 20 10 CECDRO C[NH+]1CCC(C)(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000700783421 809348699 /nfs/dbraw/zinc/34/86/99/809348699.db2.gz UINJHKIWLFIPLS-UHFFFAOYSA-N 1 0 284.350 2.492 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccccn1 ZINC000700898706 809370162 /nfs/dbraw/zinc/37/01/62/809370162.db2.gz KWCCFRIQLVMEIQ-UHFFFAOYSA-N 1 0 253.349 2.493 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]CCOCCF ZINC000702626596 809571231 /nfs/dbraw/zinc/57/12/31/809571231.db2.gz JJVLPIVCPQEXTE-UHFFFAOYSA-N 1 0 292.148 2.230 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccccc1O ZINC000704340976 809730356 /nfs/dbraw/zinc/73/03/56/809730356.db2.gz OBJGAYDPIOWPRV-QWHCGFSZSA-N 1 0 262.353 2.054 20 10 CECDRO CO[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707129485 809880401 /nfs/dbraw/zinc/88/04/01/809880401.db2.gz AFORGOOKHAQVNE-VIFPVBQESA-N 1 0 286.169 2.375 20 10 CECDRO CC[C@]1(C)COCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000708281833 809926482 /nfs/dbraw/zinc/92/64/82/809926482.db2.gz MOAAUQVSCBJQLL-OAHLLOKOSA-N 1 0 265.353 2.402 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccccc1O ZINC000708660848 809932892 /nfs/dbraw/zinc/93/28/92/809932892.db2.gz WVJKGPZXCIKFAX-SMDDNHRTSA-N 1 0 274.364 2.196 20 10 CECDRO O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1C1CCC1 ZINC000708678217 809933276 /nfs/dbraw/zinc/93/32/76/809933276.db2.gz ZIDWGLZOZSZRJI-CYBMUJFWSA-N 1 0 294.782 2.289 20 10 CECDRO CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708559293 809945405 /nfs/dbraw/zinc/94/54/05/809945405.db2.gz ODOUXTNIOFZLGV-LLVKDONJSA-N 1 0 284.350 2.490 20 10 CECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)CO1 ZINC000711220643 810050572 /nfs/dbraw/zinc/05/05/72/810050572.db2.gz UKTNMKBOMIAIQA-VXGBXAGGSA-N 1 0 251.326 2.058 20 10 CECDRO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC001122094813 815384360 /nfs/dbraw/zinc/38/43/60/815384360.db2.gz PXUWDALTTINZIH-CYBMUJFWSA-N 1 0 275.396 2.354 20 10 CECDRO C[C@H](CC(=O)NCc1c(O)cccc1F)[C@H]1CCC[NH2+]C1 ZINC001122258018 815397272 /nfs/dbraw/zinc/39/72/72/815397272.db2.gz HXLJJWYWAKQJIB-NEPJUHHUSA-N 1 0 294.370 2.173 20 10 CECDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)CO1 ZINC001169335223 811489418 /nfs/dbraw/zinc/48/94/18/811489418.db2.gz QSHUHPGLZRGEAM-HUBLWGQQSA-N 1 0 293.363 2.154 20 10 CECDRO CC[C@](C)(O)C[NH2+]Cc1ccc(Br)cc1O ZINC000691452241 811857881 /nfs/dbraw/zinc/85/78/81/811857881.db2.gz FFLLXVLWKYXVCO-LBPRGKRZSA-N 1 0 288.185 2.405 20 10 CECDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000691469705 811902085 /nfs/dbraw/zinc/90/20/85/811902085.db2.gz ZPRJTWIFBUVRQY-LDYMZIIASA-N 1 0 286.169 2.279 20 10 CECDRO CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1cccc(O)c1O ZINC001172761988 815509878 /nfs/dbraw/zinc/50/98/78/815509878.db2.gz VCGVEPSPPYNLCP-NSHDSACASA-N 1 0 281.352 2.308 20 10 CECDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2O)CC1 ZINC001172791626 815522673 /nfs/dbraw/zinc/52/26/73/815522673.db2.gz MITQGXNRSPFEIB-YPMHNXCESA-N 1 0 293.363 2.309 20 10 CECDRO CO[C@H]1CCC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001172922700 815546743 /nfs/dbraw/zinc/54/67/43/815546743.db2.gz GTKCUURWNLXMJC-OLZOCXBDSA-N 1 0 265.353 2.188 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1O ZINC000384978270 813127798 /nfs/dbraw/zinc/12/77/98/813127798.db2.gz UHNODNVPYPEYIF-DMDPSCGWSA-N 1 0 265.353 2.446 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc2ccccc2c1O ZINC000386973550 813196726 /nfs/dbraw/zinc/19/67/26/813196726.db2.gz RDFTXUIWGBPXIL-WCQYABFASA-N 1 0 284.359 2.427 20 10 CECDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCCOC1 ZINC000388733970 813243138 /nfs/dbraw/zinc/24/31/38/813243138.db2.gz CGYHEYBMXXXAJW-QWRGUYRKSA-N 1 0 253.317 2.436 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CCN1CC=CCC1 ZINC000392191234 813299264 /nfs/dbraw/zinc/29/92/64/813299264.db2.gz MKOMNYHNODPFJP-UHFFFAOYSA-N 1 0 266.772 2.397 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2=CCOCC2)c1 ZINC000397761071 813635321 /nfs/dbraw/zinc/63/53/21/813635321.db2.gz QERFSEYRWHDRTJ-NSHDSACASA-N 1 0 263.337 2.398 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCCOC(F)F)cc1 ZINC000398149867 813658742 /nfs/dbraw/zinc/65/87/42/813658742.db2.gz CQFUSNAQMXFCTL-UHFFFAOYSA-N 1 0 258.312 2.472 20 10 CECDRO CNC(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000398514122 813675957 /nfs/dbraw/zinc/67/59/57/813675957.db2.gz RJCSVQNQCIISTM-ZDUSSCGKSA-N 1 0 284.359 2.113 20 10 CECDRO Cc1cccc(C[NH2+]CC(O)(C2CC2)C2CC2)c1O ZINC000689629937 813988977 /nfs/dbraw/zinc/98/89/77/813988977.db2.gz LSQNVYZYSRVFQY-UHFFFAOYSA-N 1 0 261.365 2.341 20 10 CECDRO CCCOC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509221 814097768 /nfs/dbraw/zinc/09/77/68/814097768.db2.gz POXISFXVVHJHSU-UHFFFAOYSA-N 1 0 281.352 2.194 20 10 CECDRO Cc1cc(CN2CCc3nn(C)cc3C2)ccc1N(C)C ZINC001139672894 814631414 /nfs/dbraw/zinc/63/14/14/814631414.db2.gz LXGWEFJLGIUUJI-UHFFFAOYSA-N 1 0 284.407 2.353 20 10 CECDRO Oc1ccc(C[NH2+][C@@H]2CCc3ncsc3C2)c(O)c1 ZINC001173125091 815588310 /nfs/dbraw/zinc/58/83/10/815588310.db2.gz WHEYZDYPJYGZDX-SNVBAGLBSA-N 1 0 276.361 2.201 20 10 CECDRO CC(C)CNC(=O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC001116569039 814865293 /nfs/dbraw/zinc/86/52/93/814865293.db2.gz YZVDGZXHPRECKY-PWSUYJOCSA-N 1 0 294.370 2.441 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@@](C)(CO)C2)ccc1N(C)C ZINC001139669637 815618939 /nfs/dbraw/zinc/61/89/39/815618939.db2.gz FGDSFUQKDITCKD-MRXNPFEDSA-N 1 0 262.397 2.265 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)ccc1N(C)C ZINC001139669748 815622888 /nfs/dbraw/zinc/62/28/88/815622888.db2.gz KYTBWYCQKVURHE-WBMJQRKESA-N 1 0 262.397 2.264 20 10 CECDRO [NH3+][C@H]1CCN(Cc2cc(F)c(Cl)cc2O)CC[C@@H]1F ZINC001206197114 815638387 /nfs/dbraw/zinc/63/83/87/815638387.db2.gz GETTVOPRFWTRSD-JQWIXIFHSA-N 1 0 290.741 2.446 20 10 CECDRO COC(C[N@H+](C)Cc1ccc2c(c1)CCCN2C)OC ZINC001138356372 815775199 /nfs/dbraw/zinc/77/51/99/815775199.db2.gz NAYGDADNNSCUDK-UHFFFAOYSA-N 1 0 278.396 2.120 20 10 CECDRO CC[N@H+](Cc1ccc2c(c1)CCCN2C)C1CN(C)C1 ZINC001138359303 815776792 /nfs/dbraw/zinc/77/67/92/815776792.db2.gz QJFAGWNNVMANMX-UHFFFAOYSA-N 1 0 273.424 2.205 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH+]1CC2(CSC2)C1 ZINC001138500538 815816334 /nfs/dbraw/zinc/81/63/34/815816334.db2.gz ZLUMRLCZSJYIAK-UHFFFAOYSA-N 1 0 290.432 2.072 20 10 CECDRO COc1cc(CN2CC(C)(F)C2)cc(C[NH+](C)C)c1O ZINC001139253981 815997489 /nfs/dbraw/zinc/99/74/89/815997489.db2.gz ABFQWYIDTXMZKK-UHFFFAOYSA-N 1 0 282.359 2.006 20 10 CECDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(F)ccc3O)C[C@H]21 ZINC001140060255 816180629 /nfs/dbraw/zinc/18/06/29/816180629.db2.gz RHSIUHYZUFBORW-SMDDNHRTSA-N 1 0 264.344 2.057 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140058706 816180648 /nfs/dbraw/zinc/18/06/48/816180648.db2.gz IDIRYZRZFZLDIA-NSHDSACASA-N 1 0 281.327 2.306 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1O ZINC001140182684 816205925 /nfs/dbraw/zinc/20/59/25/816205925.db2.gz XGNAWCIRADCPRX-AWEZNQCLSA-N 1 0 286.379 2.438 20 10 CECDRO CC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140341695 816238380 /nfs/dbraw/zinc/23/83/80/816238380.db2.gz CSTUHZJSRDLEMA-JTQLQIEISA-N 1 0 253.729 2.457 20 10 CECDRO CC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140747930 816340598 /nfs/dbraw/zinc/34/05/98/816340598.db2.gz OAZZRDCOVVTFGH-CYBMUJFWSA-N 1 0 263.337 2.350 20 10 CECDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140745374 816342176 /nfs/dbraw/zinc/34/21/76/816342176.db2.gz HNYNTJSCYKVZFV-MFKMUULPSA-N 1 0 293.363 2.180 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](OC)C2)c(O)c1 ZINC001140850758 816382800 /nfs/dbraw/zinc/38/28/00/816382800.db2.gz STHOADYBVTYQPE-HNNXBMFYSA-N 1 0 278.396 2.459 20 10 CECDRO Cc1ccc(C[NH+]2CCC3(CCC(=O)N3C)CC2)c(O)c1 ZINC001140954452 816424214 /nfs/dbraw/zinc/42/42/14/816424214.db2.gz SCIFMZXVUMKCSI-UHFFFAOYSA-N 1 0 288.391 2.287 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(OC)c1 ZINC001141031144 816451491 /nfs/dbraw/zinc/45/14/91/816451491.db2.gz 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/nfs/dbraw/zinc/78/59/82/816785982.db2.gz NUQGSYZZNQKVER-QGZVFWFLSA-N 1 0 293.407 2.273 20 10 CECDRO COC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCOCC1 ZINC000123203322 365636303 /nfs/dbraw/zinc/63/63/03/365636303.db2.gz NWICOYMXENDQBP-UHFFFAOYSA-N 1 0 296.386 2.177 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)c1nncn1C)c1ccccc1O ZINC000037016937 361884658 /nfs/dbraw/zinc/88/46/58/361884658.db2.gz QNAIQPLCZIJGER-ZYHUDNBSSA-N 1 0 260.341 2.323 20 10 CECDRO CN(C(=O)c1cccc2c1CC[NH2+]C2)c1cccnc1 ZINC000124298890 539186952 /nfs/dbraw/zinc/18/69/52/539186952.db2.gz OASIFNOYNXLXDG-UHFFFAOYSA-N 1 0 267.332 2.004 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)NC1CC1 ZINC000076074213 343878376 /nfs/dbraw/zinc/87/83/76/343878376.db2.gz PCMMKBMVVWRZFB-LBPRGKRZSA-N 1 0 276.380 2.271 20 10 CECDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(F)ccc3O)[C@H]2C1 ZINC000246063146 344613732 /nfs/dbraw/zinc/61/37/32/344613732.db2.gz ZHQBDFUDNPYIQU-YCPHGPKFSA-N 1 0 295.354 2.300 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](O)CC2)c1O ZINC000293999734 344693334 /nfs/dbraw/zinc/69/33/34/344693334.db2.gz MENXVLHOIRDAGH-CYBMUJFWSA-N 1 0 265.353 2.138 20 10 CECDRO O=C1NC[C@@]2(CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)O1 ZINC000372689040 344818821 /nfs/dbraw/zinc/81/88/21/344818821.db2.gz JIGRJSFZWWUZFU-CQSZACIVSA-N 1 0 296.754 2.120 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000222613426 260227299 /nfs/dbraw/zinc/22/72/99/260227299.db2.gz AKIYLWGJSRBNJG-BXKDBHETSA-N 1 0 276.302 2.326 20 10 CECDRO C[NH+](C)[C@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000134173268 366295070 /nfs/dbraw/zinc/29/50/70/366295070.db2.gz BOJYVZKMFRQXKS-JTQLQIEISA-N 1 0 254.761 2.182 20 10 CECDRO CCN(CC)C(=O)C[N@H+](C)Cc1cc(C)ccc1O ZINC000155105100 366806213 /nfs/dbraw/zinc/80/62/13/366806213.db2.gz UGSHSTAIGCCGOC-UHFFFAOYSA-N 1 0 264.369 2.001 20 10 CECDRO CCOc1cccc(C[N@H+](C)C[C@H](C)C(=O)OC)c1O ZINC000091985871 364073536 /nfs/dbraw/zinc/07/35/36/364073536.db2.gz ZSXKNXPQBUJVBX-NSHDSACASA-N 1 0 281.352 2.032 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1O ZINC000093820512 364233815 /nfs/dbraw/zinc/23/38/15/364233815.db2.gz WVFWGPAFTMDEFY-HNNXBMFYSA-N 1 0 263.337 2.013 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCOC2)cc1F ZINC000113338920 364888720 /nfs/dbraw/zinc/88/87/20/364888720.db2.gz OYKOJDMTNFKQDV-GFCCVEGCSA-N 1 0 252.333 2.160 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C(C)C)c1 ZINC000168776019 367359953 /nfs/dbraw/zinc/35/99/53/367359953.db2.gz FEDJCSLPJXCRMA-IINYFYTJSA-N 1 0 253.342 2.068 20 10 CECDRO COC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180139695 368367760 /nfs/dbraw/zinc/36/77/60/368367760.db2.gz DSPKASUIITUFNS-NSHDSACASA-N 1 0 253.317 2.390 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000179585229 368342834 /nfs/dbraw/zinc/34/28/34/368342834.db2.gz FBLQHAPGKGNXGL-GXTWGEPZSA-N 1 0 265.378 2.099 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1O ZINC000179637760 368347309 /nfs/dbraw/zinc/34/73/09/368347309.db2.gz KISJMOUQZHSGOR-CYBMUJFWSA-N 1 0 296.798 2.407 20 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262.397 2.490 20 10 CECDRO C[C@H]1CN(C)c2ccccc2N(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637937148 370183011 /nfs/dbraw/zinc/18/30/11/370183011.db2.gz RPGOWRNYUDYLCV-JSGCOSHPSA-N 1 0 285.391 2.153 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CSCCS1 ZINC000226614612 370348775 /nfs/dbraw/zinc/34/87/75/370348775.db2.gz JKGNFGXNRAWPNN-NSHDSACASA-N 1 0 273.398 2.470 20 10 CECDRO COC[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)OC ZINC000230672145 370463544 /nfs/dbraw/zinc/46/35/44/370463544.db2.gz JXJSSYPIJARHBM-NWDGAFQWSA-N 1 0 253.342 2.013 20 10 CECDRO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CC1=O ZINC000361388544 371822657 /nfs/dbraw/zinc/82/26/57/371822657.db2.gz FQPPOPGMNJMXEQ-ICCXJUOJSA-N 1 0 294.782 2.145 20 10 CECDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000268868446 372264313 /nfs/dbraw/zinc/26/43/13/372264313.db2.gz UMJTUVBNOWDGMA-ZIAGYGMSSA-N 1 0 278.396 2.036 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@H]1CCCc3cn[nH]c31)OCO2 ZINC000268883923 372271623 /nfs/dbraw/zinc/27/16/23/372271623.db2.gz YNRQJEKRXDLXNK-NSHDSACASA-N 1 0 287.319 2.011 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)Cn2cncn2)cc1 ZINC000269012582 372314597 /nfs/dbraw/zinc/31/45/97/372314597.db2.gz NYHKHHDNNQQBGS-KBPBESRZSA-N 1 0 287.411 2.474 20 10 CECDRO OCC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)COC1 ZINC000269527235 372480292 /nfs/dbraw/zinc/48/02/92/372480292.db2.gz ZEUWIXNTSIYJDY-UHFFFAOYSA-N 1 0 299.370 2.158 20 10 CECDRO COc1cccc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1O ZINC000269798558 372568220 /nfs/dbraw/zinc/56/82/20/372568220.db2.gz IUUMETBCWLIXNO-SFHVURJKSA-N 1 0 299.370 2.324 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271193922 373173566 /nfs/dbraw/zinc/17/35/66/373173566.db2.gz RQFGEWKDULQHAG-CQSZACIVSA-N 1 0 283.755 2.431 20 10 CECDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cccc(C)c2O)o1 ZINC000271767649 373199973 /nfs/dbraw/zinc/19/99/73/373199973.db2.gz AVJZSZKOFIZELL-ZDUSSCGKSA-N 1 0 261.321 2.425 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H](COC)OC)c1ccc(N(C)C)cc1 ZINC000272725529 373631817 /nfs/dbraw/zinc/63/18/17/373631817.db2.gz YOBPQWYRKALYLB-JKSUJKDBSA-N 1 0 280.412 2.455 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCOCC2)c(O)c1C ZINC000273379300 373753246 /nfs/dbraw/zinc/75/32/46/373753246.db2.gz HVOUXOVEEPISAC-HIFRSBDPSA-N 1 0 292.423 2.380 20 10 CECDRO CC(=O)NCCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273435734 373758035 /nfs/dbraw/zinc/75/80/35/373758035.db2.gz WYHMMRWEEUZLEO-GFCCVEGCSA-N 1 0 264.369 2.186 20 10 CECDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000273610457 373768884 /nfs/dbraw/zinc/76/88/84/373768884.db2.gz VRMBGPUWSRLMCM-ZIAGYGMSSA-N 1 0 278.396 2.072 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@@H]1O ZINC000273779466 373769873 /nfs/dbraw/zinc/76/98/73/373769873.db2.gz SLDCAQHWZKBAOH-CABZTGNLSA-N 1 0 285.771 2.257 20 10 CECDRO [O-]c1c(F)cccc1C[N@H+]1CCCC[C@@H](CO)C1 ZINC000378493176 375114830 /nfs/dbraw/zinc/11/48/30/375114830.db2.gz ICXCHJOGBLSGFH-LLVKDONJSA-N 1 0 253.317 2.126 20 10 CECDRO CC(C)[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000283855494 375771732 /nfs/dbraw/zinc/77/17/32/375771732.db2.gz HRHDFIYDGBFTBM-RDJZCZTQSA-N 1 0 293.407 2.390 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000285691368 375842317 /nfs/dbraw/zinc/84/23/17/375842317.db2.gz ONJFRECEDUBPQM-WMLDXEAASA-N 1 0 288.391 2.130 20 10 CECDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(F)ccc1O ZINC000289343953 376393843 /nfs/dbraw/zinc/39/38/43/376393843.db2.gz IGECBPLIDLACGM-UHFFFAOYSA-N 1 0 269.316 2.210 20 10 CECDRO Cc1cccc(C[N@H+](CCCO)Cc2ccccn2)c1O ZINC000289548756 376399000 /nfs/dbraw/zinc/39/90/00/376399000.db2.gz XMBUQHFXFZHWFA-UHFFFAOYSA-N 1 0 286.375 2.480 20 10 CECDRO C[N@@H+]1CC[C@]2(CCN(Cc3cc(F)ccc3O)C2)C1 ZINC000292791776 377283612 /nfs/dbraw/zinc/28/36/12/377283612.db2.gz MNLFQDMETFZCNK-HNNXBMFYSA-N 1 0 264.344 2.059 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)CCO)c1 ZINC000295106744 378041713 /nfs/dbraw/zinc/04/17/13/378041713.db2.gz LBHJMICZHBFLJH-RYUDHWBXSA-N 1 0 267.369 2.460 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H](O)C(F)F ZINC000295114512 378043687 /nfs/dbraw/zinc/04/36/87/378043687.db2.gz VMMFCMSSUUPQCP-WCQYABFASA-N 1 0 290.329 2.386 20 10 CECDRO CCc1nnc([C@@H](C)[NH2+][C@@H]2CCc3cccc(O)c32)[nH]1 ZINC000297073409 378664528 /nfs/dbraw/zinc/66/45/28/378664528.db2.gz WLZYNSIBVQBIAH-MWLCHTKSSA-N 1 0 272.352 2.411 20 10 CECDRO CCc1nnc([C@@H](C)[NH2+][C@H]2CCc3cccc(O)c32)[nH]1 ZINC000297073408 378664555 /nfs/dbraw/zinc/66/45/55/378664555.db2.gz WLZYNSIBVQBIAH-KOLCDFICSA-N 1 0 272.352 2.411 20 10 CECDRO CCOC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000529666382 380183166 /nfs/dbraw/zinc/18/31/66/380183166.db2.gz KFFAUCRSVUIGSN-OAHLLOKOSA-N 1 0 279.380 2.246 20 10 CECDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccccc1O ZINC000037782034 394498005 /nfs/dbraw/zinc/49/80/05/394498005.db2.gz IWVFYIFRMQJMNZ-RYUDHWBXSA-N 1 0 262.353 2.054 20 10 CECDRO COCCCN(C)CC[NH2+]Cc1c(O)cccc1Cl ZINC000266143697 394659991 /nfs/dbraw/zinc/65/99/91/394659991.db2.gz HZJQNVVAZUXGKI-UHFFFAOYSA-N 1 0 286.803 2.104 20 10 CECDRO Cc1cc(NC(=O)[C@H](C)N(C)Cc2ccccc2O)on1 ZINC000109770643 394735521 /nfs/dbraw/zinc/73/55/21/394735521.db2.gz YLDAFIPOQNKXCC-NSHDSACASA-N 1 0 289.335 2.148 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@](C)(O)CC)c1O ZINC000106448925 394724827 /nfs/dbraw/zinc/72/48/27/394724827.db2.gz ZBXJFVQLVKIRTO-CQSZACIVSA-N 1 0 253.342 2.042 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000271352589 394754744 /nfs/dbraw/zinc/75/47/44/394754744.db2.gz LRJGEYXBLMPDSJ-ZDUSSCGKSA-N 1 0 257.337 2.495 20 10 CECDRO CCNC(=O)C[N@H+](CC)Cc1ccc(N(CC)CC)cc1 ZINC000119342439 394766171 /nfs/dbraw/zinc/76/61/71/394766171.db2.gz YRAWFFUBOLACOS-UHFFFAOYSA-N 1 0 291.439 2.491 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2ccc3c(c2)CCN3C)n1 ZINC000364441456 394903437 /nfs/dbraw/zinc/90/34/37/394903437.db2.gz FKOBNYYEWVEGPU-UHFFFAOYSA-N 1 0 283.375 2.378 20 10 CECDRO COc1ccc(O)c(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c1 ZINC000282127235 394910887 /nfs/dbraw/zinc/91/08/87/394910887.db2.gz BDVRIPFMPWNPSO-FZMZJTMJSA-N 1 0 265.353 2.400 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000368333217 394984268 /nfs/dbraw/zinc/98/42/68/394984268.db2.gz QEYCVGUGITYNTD-UKRRQHHQSA-N 1 0 290.407 2.214 20 10 CECDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1O ZINC000373216905 395057010 /nfs/dbraw/zinc/05/70/10/395057010.db2.gz OZUWPSOJKGAXGY-GJZGRUSLSA-N 1 0 288.391 2.191 20 10 CECDRO CSCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000178063753 395159365 /nfs/dbraw/zinc/15/93/65/395159365.db2.gz LJSSNRFPTHDROH-UHFFFAOYSA-N 1 0 280.437 2.318 20 10 CECDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000177900603 395158399 /nfs/dbraw/zinc/15/83/99/395158399.db2.gz FRBRFIUXISJAAR-UONOGXRCSA-N 1 0 289.423 2.099 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(C)cc1O ZINC000293708324 395248442 /nfs/dbraw/zinc/24/84/42/395248442.db2.gz MPKSXSBQNPFGSR-VNHYZAJKSA-N 1 0 279.380 2.281 20 10 CECDRO Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)c(O)c1O ZINC000179395190 395193762 /nfs/dbraw/zinc/19/37/62/395193762.db2.gz RDGSJZMKPONMGG-UHFFFAOYSA-N 1 0 292.379 2.009 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000179469768 395193992 /nfs/dbraw/zinc/19/39/92/395193992.db2.gz QCHQLTIHFFNXEL-AWEZNQCLSA-N 1 0 272.352 2.129 20 10 CECDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000179562715 395195587 /nfs/dbraw/zinc/19/55/87/395195587.db2.gz CKZYPQDZSNANSD-CYBMUJFWSA-N 1 0 273.336 2.463 20 10 CECDRO COC(=O)CC[N@@H+](Cc1ccccc1O)CC(C)C ZINC000179560287 395195607 /nfs/dbraw/zinc/19/56/07/395195607.db2.gz PKMBYEKESDALKO-UHFFFAOYSA-N 1 0 265.353 2.413 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](O)C2)c1O ZINC000183469590 395257557 /nfs/dbraw/zinc/25/75/57/395257557.db2.gz ZNMXFBQRXIAXBD-GFCCVEGCSA-N 1 0 255.745 2.311 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000183523627 395259140 /nfs/dbraw/zinc/25/91/40/395259140.db2.gz UPOCURAGKFBPOV-OPQQBVKSSA-N 1 0 255.383 2.155 20 10 CECDRO CO[C@H](C)C[NH2+]Cc1cc(Br)ccc1O ZINC000191143169 395349584 /nfs/dbraw/zinc/34/95/84/395349584.db2.gz LQKLGXQQDMWVCE-MRVPVSSYSA-N 1 0 274.158 2.279 20 10 CECDRO CO[C@@H](C)C[NH2+]Cc1cc(Br)ccc1O ZINC000191143152 395350022 /nfs/dbraw/zinc/35/00/22/395350022.db2.gz LQKLGXQQDMWVCE-QMMMGPOBSA-N 1 0 274.158 2.279 20 10 CECDRO CCCN(Cc1csnn1)c1ccc(C[NH3+])cc1 ZINC000194977241 395455649 /nfs/dbraw/zinc/45/56/49/395455649.db2.gz BFSVBAJABISBMM-UHFFFAOYSA-N 1 0 262.382 2.413 20 10 CECDRO COc1cccc(C[NH2+]CC2(SC)CC2)c1O ZINC000193654912 395412916 /nfs/dbraw/zinc/41/29/16/395412916.db2.gz SMWORKUSZSJTPE-UHFFFAOYSA-N 1 0 253.367 2.386 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c1 ZINC000038088604 174101340 /nfs/dbraw/zinc/10/13/40/174101340.db2.gz DAXLOCSNWZXRGZ-GHMZBOCLSA-N 1 0 252.358 2.002 20 10 CECDRO C[C@@H](C(=O)NCCc1ccc(N)cc1)[NH+]1CCCCCC1 ZINC000152501459 261064873 /nfs/dbraw/zinc/06/48/73/261064873.db2.gz ZLKHZCOMTBSRKS-AWEZNQCLSA-N 1 0 289.423 2.192 20 10 CECDRO CCOCCO[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179587078 261800713 /nfs/dbraw/zinc/80/07/13/261800713.db2.gz UXQIYMIIPGSPQT-AWEZNQCLSA-N 1 0 265.353 2.020 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(O)C2)c1O ZINC000184701447 262027210 /nfs/dbraw/zinc/02/72/10/262027210.db2.gz DLZHKRQHPLJTBN-ZDUSSCGKSA-N 1 0 271.744 2.011 20 10 CECDRO COCCN1CCC([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185145099 262043963 /nfs/dbraw/zinc/04/39/63/262043963.db2.gz HYNYCSDXBPOXOB-CQSZACIVSA-N 1 0 292.423 2.462 20 10 CECDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)CN1CCOCC1 ZINC000185505631 262057818 /nfs/dbraw/zinc/05/78/18/262057818.db2.gz KGOWRUVTZNMLLX-OLZOCXBDSA-N 1 0 296.386 2.150 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1COc3ccccc3[C@H]1O)CC2 ZINC000297217559 265041453 /nfs/dbraw/zinc/04/14/53/265041453.db2.gz HBEICNJLIOQONH-HBUWYVDXSA-N 1 0 297.354 2.464 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(O)c1 ZINC000368331295 267163187 /nfs/dbraw/zinc/16/31/87/267163187.db2.gz JCAVBSZALRJZPK-QVHKTLOISA-N 1 0 288.391 2.361 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)cc1C ZINC000369227089 267227335 /nfs/dbraw/zinc/22/73/35/267227335.db2.gz XWROIYWJLRYCCN-CABCVRRESA-N 1 0 288.391 2.252 20 10 CECDRO Nc1ccc(NC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000376692801 268009172 /nfs/dbraw/zinc/00/91/72/268009172.db2.gz AYMATBBPPRBUPB-UHFFFAOYSA-N 1 0 284.363 2.247 20 10 CECDRO c1cc(C[NH2+]C[C@H]2COC3(CCCC3)O2)cc2c1OCC2 ZINC000376803206 268019541 /nfs/dbraw/zinc/01/95/41/268019541.db2.gz FGMVHCBBTZATOR-HNNXBMFYSA-N 1 0 289.375 2.397 20 10 CECDRO C[C@H](Cn1cccn1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296686126 274500522 /nfs/dbraw/zinc/50/05/22/274500522.db2.gz GWVUHQMARXSWQO-YPMHNXCESA-N 1 0 257.337 2.254 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCSCC2)cc1F ZINC000126186927 276801874 /nfs/dbraw/zinc/80/18/74/276801874.db2.gz IEXQDIAOWDXPSH-UHFFFAOYSA-N 1 0 254.374 2.441 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297794721 278160291 /nfs/dbraw/zinc/16/02/91/278160291.db2.gz QBMMJPIAADOBRT-XHVZSJERSA-N 1 0 267.394 2.082 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCSCCCO)c1 ZINC000185378629 327839145 /nfs/dbraw/zinc/83/91/45/327839145.db2.gz ONALHQRZFWREPX-GFCCVEGCSA-N 1 0 269.410 2.467 20 10 CECDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1cc(Cl)ccc1O ZINC000287308454 328250716 /nfs/dbraw/zinc/25/07/16/328250716.db2.gz LDKKQUCGYQMQTQ-JTQLQIEISA-N 1 0 287.787 2.484 20 10 CECDRO COc1cc(Cl)cc(C[NH+]2CC3(C2)CCOC3)c1O ZINC000294188756 328547249 /nfs/dbraw/zinc/54/72/49/328547249.db2.gz XFCSDPIQONLYEP-UHFFFAOYSA-N 1 0 283.755 2.277 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CCCO)c1 ZINC000294863039 327576372 /nfs/dbraw/zinc/57/63/72/327576372.db2.gz TZDRTLOOZMMCMP-VXGBXAGGSA-N 1 0 267.369 2.460 20 10 CECDRO CN(C)c1ccc(CN2CC[NH+]3CCC2CC3)cc1F ZINC000377713872 329026578 /nfs/dbraw/zinc/02/65/78/329026578.db2.gz BSINZXGEGZEOIM-UHFFFAOYSA-N 1 0 277.387 2.172 20 10 CECDRO CN(C)c1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000378348975 329047319 /nfs/dbraw/zinc/04/73/19/329047319.db2.gz HQNXDPLJEZLGPB-KRWDZBQOSA-N 1 0 273.424 2.423 20 10 CECDRO CN1CCc2cc(C[NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)ccc21 ZINC000178927587 329203256 /nfs/dbraw/zinc/20/32/56/329203256.db2.gz QAEAFMIULPHJGS-FMKPAKJESA-N 1 0 258.365 2.088 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000224554507 329244566 /nfs/dbraw/zinc/24/45/66/329244566.db2.gz LXOLDDONLULRQL-MRVPVSSYSA-N 1 0 269.650 2.058 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000187343061 329355416 /nfs/dbraw/zinc/35/54/16/329355416.db2.gz GRBRRFOVURUJBQ-UMVBOHGHSA-N 1 0 263.337 2.058 20 10 CECDRO COC(=O)c1cc(C[NH2+]Cc2ccccc2O)oc1C ZINC000164476571 331240180 /nfs/dbraw/zinc/24/01/80/331240180.db2.gz OESMORBWOINNDZ-UHFFFAOYSA-N 1 0 275.304 2.370 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1O ZINC000230315840 333316477 /nfs/dbraw/zinc/31/64/77/333316477.db2.gz MCWWLFMFOZJNAV-SWLSCSKDSA-N 1 0 263.337 2.058 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CC(Cc3ccco3)C1)OCO2 ZINC000529650115 333503858 /nfs/dbraw/zinc/50/38/58/333503858.db2.gz XSUCSBIOWMKYEC-UHFFFAOYSA-N 1 0 287.315 2.388 20 10 CECDRO CCOc1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1O ZINC000245875438 334222425 /nfs/dbraw/zinc/22/24/25/334222425.db2.gz HMAXXAGWXZGUCV-UKRRQHHQSA-N 1 0 290.407 2.459 20 10 CECDRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000275016085 334786508 /nfs/dbraw/zinc/78/65/08/334786508.db2.gz SPQCXPSKEWDFKK-CYBMUJFWSA-N 1 0 298.452 2.226 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](C)OC)c1 ZINC000191655629 518157633 /nfs/dbraw/zinc/15/76/33/518157633.db2.gz DEIUVXCYWVSRCT-DCAQKATOSA-N 1 0 253.342 2.475 20 10 CECDRO COc1cccc(C[NH+]2CCC3(CC2)OCCCO3)c1O ZINC000293791732 518164801 /nfs/dbraw/zinc/16/48/01/518164801.db2.gz ZXOMJKNIEMKXJH-UHFFFAOYSA-N 1 0 293.363 2.130 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2cn[nH]c2)c1O ZINC000275159180 518286467 /nfs/dbraw/zinc/28/64/67/518286467.db2.gz ILUQFEFEQFQFEJ-MRVPVSSYSA-N 1 0 277.299 2.308 20 10 CECDRO CC(C)(C)[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000279792011 518945479 /nfs/dbraw/zinc/94/54/79/518945479.db2.gz OKDWTLREMRQNHL-HNNXBMFYSA-N 1 0 293.363 2.368 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)cc1 ZINC000278932310 520286977 /nfs/dbraw/zinc/28/69/77/520286977.db2.gz XPWCQUZCXOAYEZ-GRDNDAEWSA-N 1 0 292.423 2.333 20 10 CECDRO CCCOc1ccc(C[NH2+]CCc2cnn(C)c2)c(O)c1 ZINC000101593976 520366768 /nfs/dbraw/zinc/36/67/68/520366768.db2.gz XONJOMQDVTXFGT-UHFFFAOYSA-N 1 0 289.379 2.247 20 10 CECDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccccc1O)CC2 ZINC000271461765 520441095 /nfs/dbraw/zinc/44/10/95/520441095.db2.gz XEHLABOXSYVVPS-JKSUJKDBSA-N 1 0 291.391 2.144 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1 ZINC000275850380 521146825 /nfs/dbraw/zinc/14/68/25/521146825.db2.gz HXGQUTSXLVLFRF-HNNXBMFYSA-N 1 0 279.380 2.384 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCc2nccnc2C)c1 ZINC000292858851 521152954 /nfs/dbraw/zinc/15/29/54/521152954.db2.gz ALWDTEBLOJYRPL-UHFFFAOYSA-N 1 0 287.363 2.222 20 10 CECDRO CCC[N@H+](CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000299341525 521605129 /nfs/dbraw/zinc/60/51/29/521605129.db2.gz ALMVAUJVUHDQKT-UHFFFAOYSA-N 1 0 291.439 2.443 20 10 CECDRO CCOC(CC[NH2+]Cc1cc(OC)ccc1O)OCC ZINC000276174494 521630047 /nfs/dbraw/zinc/63/00/47/521630047.db2.gz JTPZQHZDCVJCOI-UHFFFAOYSA-N 1 0 283.368 2.280 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@H](C)CCO)c1O ZINC000228675572 522540923 /nfs/dbraw/zinc/54/09/23/522540923.db2.gz IMQARSXMWUBAST-SECBINFHSA-N 1 0 273.760 2.162 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1O ZINC000280260115 522621057 /nfs/dbraw/zinc/62/10/57/522621057.db2.gz XDISGEQJXYBMPD-JSGCOSHPSA-N 1 0 297.420 2.176 20 10 CECDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccccc1O ZINC000280970629 522822258 /nfs/dbraw/zinc/82/22/58/522822258.db2.gz LHKWTUHYZTXRII-CYBMUJFWSA-N 1 0 297.420 2.400 20 10 CECDRO CN(CC[NH2+]Cc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000071377132 522867246 /nfs/dbraw/zinc/86/72/46/522867246.db2.gz GPRONLICICVVMD-UHFFFAOYSA-N 1 0 292.379 2.085 20 10 CECDRO CO[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000234885197 523995538 /nfs/dbraw/zinc/99/55/38/523995538.db2.gz UIMQLFUPAVSHCN-NSHDSACASA-N 1 0 286.169 2.375 20 10 CECDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000289410989 524010299 /nfs/dbraw/zinc/01/02/99/524010299.db2.gz AGFJBNKHYOHORB-IRXDYDNUSA-N 1 0 290.407 2.180 20 10 CECDRO COc1ccc(C[NH2+]CC(C)(C)N(C)C)cc1C ZINC000035052557 524069312 /nfs/dbraw/zinc/06/93/12/524069312.db2.gz LLDBEFAJWPRWCG-UHFFFAOYSA-N 1 0 250.386 2.433 20 10 CECDRO COc1ccc(C[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000042879174 524072729 /nfs/dbraw/zinc/07/27/29/524072729.db2.gz AGHPPTNJRBNNBX-UHFFFAOYSA-N 1 0 287.315 2.419 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)c(O)c1 ZINC000284940787 524334429 /nfs/dbraw/zinc/33/44/29/524334429.db2.gz DUTQUSDYPAIOMS-KKUMJFAQSA-N 1 0 293.407 2.305 20 10 CECDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)OC)CC2)cc1 ZINC000364876738 524403609 /nfs/dbraw/zinc/40/36/09/524403609.db2.gz BASXGWCEDUFLHK-CYBMUJFWSA-N 1 0 278.396 2.289 20 10 CECDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccccc1O)C[C@@H](C)O2 ZINC000280570365 525043141 /nfs/dbraw/zinc/04/31/41/525043141.db2.gz VSUIHONQSOKDCM-XJKCOSOUSA-N 1 0 277.364 2.161 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2CCCC2=O)c1 ZINC000037782916 525365582 /nfs/dbraw/zinc/36/55/82/525365582.db2.gz XPBWAIIYNGMFKI-OLZOCXBDSA-N 1 0 276.380 2.362 20 10 CECDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(N(C)C)cc1 ZINC000289738290 525373915 /nfs/dbraw/zinc/37/39/15/525373915.db2.gz KMDMWPFOWSEAMO-LBPRGKRZSA-N 1 0 258.369 2.369 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(F)ccc1O ZINC000094617555 525601597 /nfs/dbraw/zinc/60/15/97/525601597.db2.gz OTZZSGFVYDPKCF-WDEREUQCSA-N 1 0 263.316 2.467 20 10 CECDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000280471511 525791547 /nfs/dbraw/zinc/79/15/47/525791547.db2.gz NBTIDOCMEVDNAZ-AAEUAGOBSA-N 1 0 293.363 2.246 20 10 CECDRO COc1cccc(C[N@H+](C)CCCn2ccnc2C)c1O ZINC000290581948 525912157 /nfs/dbraw/zinc/91/21/57/525912157.db2.gz UQHGLTYLHJSEAJ-UHFFFAOYSA-N 1 0 289.379 2.428 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCc2cnn(C)c2)c(O)c1 ZINC000128122966 525921975 /nfs/dbraw/zinc/92/19/75/525921975.db2.gz LUUCRDLUJQAZLF-LBPRGKRZSA-N 1 0 259.353 2.327 20 10 CECDRO C[C@H](C(=O)NCc1ccccc1O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000263696151 526087448 /nfs/dbraw/zinc/08/74/48/526087448.db2.gz NLOMJAQNUFAERQ-FRRDWIJNSA-N 1 0 276.380 2.270 20 10 CECDRO Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(C)n1-c1ccccc1 ZINC000237705483 526258298 /nfs/dbraw/zinc/25/82/98/526258298.db2.gz HUXASDNSNHQCFC-CQSZACIVSA-N 1 0 283.375 2.267 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCCC13CCOCC3)OCO2 ZINC000374286739 526335106 /nfs/dbraw/zinc/33/51/06/526335106.db2.gz ZLBULFDBOHZEOV-UHFFFAOYSA-N 1 0 291.347 2.266 20 10 CECDRO OCCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264647752 527537683 /nfs/dbraw/zinc/53/76/83/527537683.db2.gz ZFCCZHPEUDGWTC-OAHLLOKOSA-N 1 0 279.380 2.146 20 10 CECDRO CC[C@@H](C(=O)NCc1c(C)c2ccccc2n1C)[NH+](C)C ZINC000352125908 529284690 /nfs/dbraw/zinc/28/46/90/529284690.db2.gz NSVCYCFOYDLQJF-AWEZNQCLSA-N 1 0 287.407 2.443 20 10 CECDRO COc1cc(O)c(C[NH2+][C@]2(C)CCO[C@@H]2C)cc1OC ZINC000753575205 574511303 /nfs/dbraw/zinc/51/13/03/574511303.db2.gz GRSVXSHKGBNXKK-MEBBXXQBSA-N 1 0 281.352 2.067 20 10 CECDRO C[NH+](C)[C@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731863870 574604155 /nfs/dbraw/zinc/60/41/55/574604155.db2.gz IEFBCYXNVPCZKF-CYBMUJFWSA-N 1 0 290.388 2.486 20 10 CECDRO CC1(C)CC(NC(=O)C2=CC(=O)CS2)CC(C)(C)[NH2+]1 ZINC000732263302 574616480 /nfs/dbraw/zinc/61/64/80/574616480.db2.gz NPPYKOFVAXKBSW-UHFFFAOYSA-N 1 0 282.409 2.493 20 10 CECDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C1=CC(=O)CS1 ZINC000732289522 574618458 /nfs/dbraw/zinc/61/84/58/574618458.db2.gz HXPQTVPIMIRIQX-PHIMTYICSA-N 1 0 282.409 2.446 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000756118325 574797246 /nfs/dbraw/zinc/79/72/46/574797246.db2.gz LZZSEFVHJQLXAQ-CZUORRHYSA-N 1 0 261.413 2.101 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)c(O)c1 ZINC000753568577 575330386 /nfs/dbraw/zinc/33/03/86/575330386.db2.gz SIURDTBUQDPUJT-UHFFFAOYSA-N 1 0 299.330 2.273 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(C)=O)cc1C ZINC000959842064 617258121 /nfs/dbraw/zinc/25/81/21/617258121.db2.gz OZZBSRPGGXJUJS-INIZCTEOSA-N 1 0 290.407 2.494 20 10 CECDRO Oc1ccccc1CN(Cc1cc[nH]n1)C[C@H]1CCCO1 ZINC000160206956 622557431 /nfs/dbraw/zinc/55/74/31/622557431.db2.gz ANBXGLJUTDGXSM-OAHLLOKOSA-N 1 0 287.363 2.297 20 10 CECDRO COc1cc(O)c(C[NH+]2CCC([C@H](C)O)CC2)cc1OC ZINC000160246345 622667659 /nfs/dbraw/zinc/66/76/59/622667659.db2.gz WINVAGHNNZZROS-NSHDSACASA-N 1 0 295.379 2.002 20 10 CECDRO CCOC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000044689079 623239395 /nfs/dbraw/zinc/23/93/95/623239395.db2.gz NOQXCZSXLZUKSU-QWRGUYRKSA-N 1 0 253.342 2.476 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000044684620 623239569 /nfs/dbraw/zinc/23/95/69/623239569.db2.gz BYBUKXAEFLRGLP-GFCCVEGCSA-N 1 0 266.772 2.372 20 10 CECDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000304061109 623295299 /nfs/dbraw/zinc/29/52/99/623295299.db2.gz PCMZTCKWRQHAAB-OAHLLOKOSA-N 1 0 250.386 2.249 20 10 CECDRO CN(C)c1ccc([C@@H](CNC(=O)C2(C)CC2)[NH+](C)C)cc1 ZINC000891251929 623327129 /nfs/dbraw/zinc/32/71/29/623327129.db2.gz IERWIPFGLWHETO-OAHLLOKOSA-N 1 0 289.423 2.272 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000234287669 623513106 /nfs/dbraw/zinc/51/31/06/623513106.db2.gz NBSAGKMUPHZXIE-AWEZNQCLSA-N 1 0 276.380 2.129 20 10 CECDRO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C[C@H]1CCCO1 ZINC000891784440 623967578 /nfs/dbraw/zinc/96/75/78/623967578.db2.gz XWORGDJNKIHGHM-CYBMUJFWSA-N 1 0 295.379 2.410 20 10 CECDRO C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000891981521 624225984 /nfs/dbraw/zinc/22/59/84/624225984.db2.gz LNIDZYWCTMKIFJ-XQQFMLRXSA-N 1 0 291.395 2.141 20 10 CECDRO COc1ccc(C[N@@H+]2CCCOC[C@H]2C)c(O)c1OC ZINC000892077828 624302307 /nfs/dbraw/zinc/30/23/07/624302307.db2.gz ZPIIAUJDWOYNBJ-LLVKDONJSA-N 1 0 281.352 2.020 20 10 CECDRO CCOC(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000045685935 624502494 /nfs/dbraw/zinc/50/24/94/624502494.db2.gz UDEPKBNDUVQEQQ-SNVBAGLBSA-N 1 0 267.325 2.005 20 10 CECDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000049560544 624545217 /nfs/dbraw/zinc/54/52/17/624545217.db2.gz OLAAKLRMWUQJTF-UHFFFAOYSA-N 1 0 276.384 2.265 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@H](CC[NH3+])C(F)F ZINC000841072830 634493271 /nfs/dbraw/zinc/49/32/71/634493271.db2.gz AJYJHXSQTSSOPI-ZDUSSCGKSA-N 1 0 271.355 2.133 20 10 CECDRO CON(C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000850479409 627284736 /nfs/dbraw/zinc/28/47/36/627284736.db2.gz SDOHVWLLKAIJAS-LBPRGKRZSA-N 1 0 252.358 2.153 20 10 CECDRO CCC(O)(CC)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892742955 627743055 /nfs/dbraw/zinc/74/30/55/627743055.db2.gz UAXRQVSADVEMCN-UHFFFAOYSA-N 1 0 283.368 2.050 20 10 CECDRO COc1ccc(C[NH2+]C[C@H](OC)C(C)C)c(O)c1OC ZINC000893085928 627991203 /nfs/dbraw/zinc/99/12/03/627991203.db2.gz JXTBZUBREWNIHS-ZDUSSCGKSA-N 1 0 283.368 2.170 20 10 CECDRO CCOCc1cc(C[NH2+]CC2(CO)CCC2)ccc1OC ZINC000184378417 628204998 /nfs/dbraw/zinc/20/49/98/628204998.db2.gz MRHXJUIHCQMWKI-UHFFFAOYSA-N 1 0 293.407 2.484 20 10 CECDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000775983113 628354013 /nfs/dbraw/zinc/35/40/13/628354013.db2.gz BCEMKENWEYEHSW-STQMWFEESA-N 1 0 279.403 2.416 20 10 CECDRO CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001026627295 628459166 /nfs/dbraw/zinc/45/91/66/628459166.db2.gz PVRYULUYTLCACB-HNNXBMFYSA-N 1 0 290.407 2.352 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)NC)cc1 ZINC000193839837 628546854 /nfs/dbraw/zinc/54/68/54/628546854.db2.gz UUEPVEVYWZZJCJ-UHFFFAOYSA-N 1 0 277.412 2.101 20 10 CECDRO CC[C@H]([NH2+]CCCON)c1cccc(Cl)c1[O-] ZINC000902414824 634664114 /nfs/dbraw/zinc/66/41/14/634664114.db2.gz DBGZKAJGBRFTOO-NSHDSACASA-N 1 0 258.749 2.367 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c(O)c1OC ZINC000893471019 628640249 /nfs/dbraw/zinc/64/02/49/628640249.db2.gz BMCMWAKXCITAHS-DGCLKSJQSA-N 1 0 295.379 2.314 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])CC(F)F ZINC000313912818 628664173 /nfs/dbraw/zinc/66/41/73/628664173.db2.gz IYIAHGSPKRBGCH-ZDUSSCGKSA-N 1 0 299.365 2.084 20 10 CECDRO C[NH+]1CCN(c2ccc(CNC(=O)C3=CCCC3)cc2)CC1 ZINC000893608113 628787652 /nfs/dbraw/zinc/78/76/52/628787652.db2.gz PDZHMSVODVWGAM-UHFFFAOYSA-N 1 0 299.418 2.165 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000840964407 628925381 /nfs/dbraw/zinc/92/53/81/628925381.db2.gz RYHODUVXCVJQNV-SRVKXCTJSA-N 1 0 265.353 2.304 20 10 CECDRO C[C@H]([NH2+][C@@H]1CNOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000925863302 628964030 /nfs/dbraw/zinc/96/40/30/628964030.db2.gz AGINBDWXHYRZEG-GXTWGEPZSA-N 1 0 293.386 2.370 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1 ZINC000840978725 628987857 /nfs/dbraw/zinc/98/78/57/628987857.db2.gz PBTYSTMFUAKEIR-QWHCGFSZSA-N 1 0 279.380 2.384 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c(O)c1OC ZINC000893884132 629029956 /nfs/dbraw/zinc/02/99/56/629029956.db2.gz AQZQVPPYJCJIRU-ZDUSSCGKSA-N 1 0 295.379 2.002 20 10 CECDRO CC[N@@H+]1CCN(Cc2cc(C)cc(OC)c2O)C[C@H]1C ZINC000894013252 629088090 /nfs/dbraw/zinc/08/80/90/629088090.db2.gz BEBFFDBVYCLELQ-CYBMUJFWSA-N 1 0 278.396 2.235 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@](C)(O)C2)c1O ZINC000894045288 629100951 /nfs/dbraw/zinc/10/09/51/629100951.db2.gz YBRASMVQWWDMBU-HNNXBMFYSA-N 1 0 265.353 2.056 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1O ZINC000894203049 629206698 /nfs/dbraw/zinc/20/66/98/629206698.db2.gz PKOAKGHWNCTJPP-DOTOQJQBSA-N 1 0 299.370 2.457 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)c2ccc(C)o2)c1O ZINC000894293025 629312094 /nfs/dbraw/zinc/31/20/94/629312094.db2.gz IHMZKCNFYOKJPI-CYBMUJFWSA-N 1 0 291.347 2.434 20 10 CECDRO CC[C@](C)(CCO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894334038 629364083 /nfs/dbraw/zinc/36/40/83/629364083.db2.gz VWCDTCXGYVWKMM-OAHLLOKOSA-N 1 0 267.369 2.350 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2cc(C)no2)c1O ZINC000894391088 629423797 /nfs/dbraw/zinc/42/37/97/629423797.db2.gz DVNOFXKWFZBYCP-UHFFFAOYSA-N 1 0 262.309 2.295 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cnnn1C ZINC000925078570 629604603 /nfs/dbraw/zinc/60/46/03/629604603.db2.gz IIIMBDKDTYYKSU-LBPRGKRZSA-N 1 0 273.384 2.040 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC2=CCCOC2)c1O ZINC000894780464 629638165 /nfs/dbraw/zinc/63/81/65/629638165.db2.gz DWGDSGPDGOPOFP-UHFFFAOYSA-N 1 0 263.337 2.146 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H](OC)C2CC2)c1O ZINC000894861226 629698762 /nfs/dbraw/zinc/69/87/62/629698762.db2.gz BZKSFIFLYHMHSU-CQSZACIVSA-N 1 0 265.353 2.224 20 10 CECDRO Cc1nnc([C@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)[nH]1 ZINC000895008331 629799466 /nfs/dbraw/zinc/79/94/66/629799466.db2.gz WCWBIKWMJMDNAL-JTQLQIEISA-N 1 0 292.770 2.462 20 10 CECDRO CN(C)Cc1cnc(C[NH2+]Cc2ccccc2O)s1 ZINC000796285001 629834327 /nfs/dbraw/zinc/83/43/27/629834327.db2.gz WCPZZGVTEKPNIE-UHFFFAOYSA-N 1 0 277.393 2.200 20 10 CECDRO COc1cc(N(C)CC2CC[NH2+]CC2)cc(OC)c1OC ZINC000178974994 629877330 /nfs/dbraw/zinc/87/73/30/629877330.db2.gz RZRZVQCPKINFKN-UHFFFAOYSA-N 1 0 294.395 2.148 20 10 CECDRO COc1ccc(C[NH2+]CCC2CC(OC)C2)c(O)c1OC ZINC000895303534 630096081 /nfs/dbraw/zinc/09/60/81/630096081.db2.gz CATFSRPTUJVOSC-UHFFFAOYSA-N 1 0 295.379 2.314 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1 ZINC000797071039 630124061 /nfs/dbraw/zinc/12/40/61/630124061.db2.gz PGYCFQRFDGSYGI-VXGBXAGGSA-N 1 0 297.420 2.317 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCCc3n[nH]cc3C2)c1O ZINC000895364868 630141008 /nfs/dbraw/zinc/14/10/08/630141008.db2.gz SXEWOCAVJGROBM-UHFFFAOYSA-N 1 0 287.363 2.381 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c1O ZINC000895375473 630151807 /nfs/dbraw/zinc/15/18/07/630151807.db2.gz BRHUKEBJDQDNLB-TZMCWYRMSA-N 1 0 279.380 2.160 20 10 CECDRO CCC[C@H](CCO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895418359 630175752 /nfs/dbraw/zinc/17/57/52/630175752.db2.gz NBVFGWVIUVEHCO-CYBMUJFWSA-N 1 0 267.369 2.350 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000841894550 630419995 /nfs/dbraw/zinc/41/99/95/630419995.db2.gz QVNRTAKLZQQGPT-VIFPVBQESA-N 1 0 290.741 2.475 20 10 CECDRO CCOCCOCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000897204358 630989397 /nfs/dbraw/zinc/98/93/97/630989397.db2.gz OAGCSNAQOMMZIO-UHFFFAOYSA-N 1 0 280.412 2.204 20 10 CECDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000897344482 631150320 /nfs/dbraw/zinc/15/03/20/631150320.db2.gz CYUCXCJHSHQMEL-OAHLLOKOSA-N 1 0 288.391 2.016 20 10 CECDRO COCC(C)(C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000079756623 631414803 /nfs/dbraw/zinc/41/48/03/631414803.db2.gz DAQDHTSFEZVWAK-UHFFFAOYSA-N 1 0 269.316 2.249 20 10 CECDRO C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841754073 631750862 /nfs/dbraw/zinc/75/08/62/631750862.db2.gz YSWRIPQNIYDVLS-SRVKXCTJSA-N 1 0 299.798 2.341 20 10 CECDRO COC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000840084931 631813118 /nfs/dbraw/zinc/81/31/18/631813118.db2.gz YPZHCWBTKFLALY-HNNXBMFYSA-N 1 0 261.365 2.492 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841032260 631819864 /nfs/dbraw/zinc/81/98/64/631819864.db2.gz AYHVAITWERPCGN-SNVBAGLBSA-N 1 0 254.761 2.135 20 10 CECDRO CCCN(CC[NH+]1CCCC1)C(=O)C1=CC(=O)CS1 ZINC000807690896 631861975 /nfs/dbraw/zinc/86/19/75/631861975.db2.gz XUQUWJCQBSVXML-UHFFFAOYSA-N 1 0 282.409 2.402 20 10 CECDRO CN1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCCC4)C[C@@H]21 ZINC000840133836 631949243 /nfs/dbraw/zinc/94/92/43/631949243.db2.gz UIMKFCQDTGZGIT-WBVHZDCISA-N 1 0 286.419 2.407 20 10 CECDRO OC[C@H](C[NH2+]Cc1cc(Cl)ccc1O)c1cccnc1 ZINC000808430454 631962324 /nfs/dbraw/zinc/96/23/24/631962324.db2.gz GQOYENNQIHIUAA-ZDUSSCGKSA-N 1 0 292.766 2.306 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808695273 632002268 /nfs/dbraw/zinc/00/22/68/632002268.db2.gz KHFCEKWXMUNOJD-QMTHXVAHSA-N 1 0 287.787 2.402 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCOC23CCOCC3)c(O)c1 ZINC000898113257 632055835 /nfs/dbraw/zinc/05/58/35/632055835.db2.gz WESRTZTUACCCDD-HNNXBMFYSA-N 1 0 277.364 2.128 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CC(Cc3ccoc3)C1)OCO2 ZINC000898160903 632075979 /nfs/dbraw/zinc/07/59/79/632075979.db2.gz YQWDZIMTMHNRII-UHFFFAOYSA-N 1 0 287.315 2.388 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](O)C2CC2)c1 ZINC000898199004 632112617 /nfs/dbraw/zinc/11/26/17/632112617.db2.gz XXJFTHXEUIDTRS-YGRLFVJLSA-N 1 0 265.353 2.212 20 10 CECDRO CC[C@](C)(C[NH2+]Cc1ccc(N2CCOCC2)cc1)OC ZINC000322552188 632220670 /nfs/dbraw/zinc/22/06/70/632220670.db2.gz VPNHIPXEHOOGOL-QGZVFWFLSA-N 1 0 292.423 2.428 20 10 CECDRO CN(C)c1ccc(/C=C/CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000841043031 632330174 /nfs/dbraw/zinc/33/01/74/632330174.db2.gz MWHMHIRLUXVNDS-SJDLMVEWSA-N 1 0 259.397 2.107 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000040672934 632346773 /nfs/dbraw/zinc/34/67/73/632346773.db2.gz TVMBHJSPIVCMOT-UKRRQHHQSA-N 1 0 261.413 2.497 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c1 ZINC000898391345 632474161 /nfs/dbraw/zinc/47/41/61/632474161.db2.gz BDQKJBYHNLOWLP-NVXWUHKLSA-N 1 0 285.343 2.149 20 10 CECDRO COCC[C@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449384 632499005 /nfs/dbraw/zinc/49/90/05/632499005.db2.gz DDDNPSSWSDFRHW-YOEHRIQHSA-N 1 0 293.455 2.370 20 10 CECDRO CC[C@H](COC)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450668 632500059 /nfs/dbraw/zinc/50/00/59/632500059.db2.gz SONNWIGHKWZNAZ-NVXWUHKLSA-N 1 0 293.455 2.370 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)CO1 ZINC000898447925 632503468 /nfs/dbraw/zinc/50/34/68/632503468.db2.gz NFCAIXKGMCTFRW-UNEWFSDZSA-N 1 0 291.439 2.122 20 10 CECDRO Cn1nc2c(c1C[NH2+]Cc1ccccc1O)CCCC2 ZINC000812773874 632575308 /nfs/dbraw/zinc/57/53/08/632575308.db2.gz XIABXDOZGHYLSD-UHFFFAOYSA-N 1 0 271.364 2.294 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](CO)C2)c2c1c(F)ccc2O ZINC000927147014 632594182 /nfs/dbraw/zinc/59/41/82/632594182.db2.gz IKSAVTGBIUBVEL-DNRKLUKYSA-N 1 0 265.328 2.440 20 10 CECDRO CC[C@@H]([NH2+]C1COCCOC1)c1ccc(N(C)C)cc1 ZINC000813878491 632751403 /nfs/dbraw/zinc/75/14/03/632751403.db2.gz BGOKLSSBILJZIW-MRXNPFEDSA-N 1 0 278.396 2.209 20 10 CECDRO C[C@H](NC(=[NH2+])NCc1ccc(N(C)C)cc1)C1CC1 ZINC000899263755 632767047 /nfs/dbraw/zinc/76/70/47/632767047.db2.gz MVSBJYYJPHQKSP-NSHDSACASA-N 1 0 260.385 2.165 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1O ZINC000826851054 635862248 /nfs/dbraw/zinc/86/22/48/635862248.db2.gz BWDMFWSOJSJDOF-CYBMUJFWSA-N 1 0 286.379 2.068 20 10 CECDRO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1N(C)C ZINC000815055563 632952588 /nfs/dbraw/zinc/95/25/88/632952588.db2.gz FEYRXOPYNYSMOS-GASCZTMLSA-N 1 0 260.381 2.424 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCO[C@H](C)C2)c(O)c1 ZINC000815576682 633033590 /nfs/dbraw/zinc/03/35/90/633033590.db2.gz WDZKHWFIIFLUEE-HUUCEWRRSA-N 1 0 292.423 2.380 20 10 CECDRO Oc1c(C[N@@H+]2CCN3CCOC[C@H]3C2)ccc2ccccc21 ZINC000816568248 633414278 /nfs/dbraw/zinc/41/42/78/633414278.db2.gz BCPIGCHYYPEGCL-MRXNPFEDSA-N 1 0 298.386 2.062 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C)C[C@H]2CC)c1 ZINC000816660345 633459042 /nfs/dbraw/zinc/45/90/42/633459042.db2.gz ACNMUUIQHZTHFT-CQSZACIVSA-N 1 0 278.396 2.317 20 10 CECDRO CN1CCC[C@H]1C[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000817372160 633643659 /nfs/dbraw/zinc/64/36/59/633643659.db2.gz HGQMNKZJHJWPNK-AWEZNQCLSA-N 1 0 285.391 2.466 20 10 CECDRO NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000817587601 633703003 /nfs/dbraw/zinc/70/30/03/633703003.db2.gz ZJPLBJSABZNGNR-MRVWCRGKSA-N 1 0 288.391 2.261 20 10 CECDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000817939168 633788909 /nfs/dbraw/zinc/78/89/09/633788909.db2.gz AAPDPVRLNKBLQB-GUYCJALGSA-N 1 0 284.407 2.498 20 10 CECDRO C[C@H]([NH2+]CCC[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000817938023 633789053 /nfs/dbraw/zinc/78/90/53/633789053.db2.gz BQJHOHFQFCTTMF-QMMMGPOBSA-N 1 0 262.275 2.410 20 10 CECDRO COc1ccc(O)c([C@H](C)NC[C@H]2CCCC[NH2+]2)c1 ZINC000817949867 633795074 /nfs/dbraw/zinc/79/50/74/633795074.db2.gz OMHAWZBAXBPGHZ-NWDGAFQWSA-N 1 0 264.369 2.194 20 10 CECDRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1cc(F)ccc1O ZINC000817950800 633796244 /nfs/dbraw/zinc/79/62/44/633796244.db2.gz ZGECGCNAYHRQBA-CMPLNLGQSA-N 1 0 252.333 2.324 20 10 CECDRO CC[NH2+]CCN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817952084 633796327 /nfs/dbraw/zinc/79/63/27/633796327.db2.gz MVESDTPSQWGSNJ-ONGXEEELSA-N 1 0 252.333 2.279 20 10 CECDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1nccn1C ZINC000817957455 633799699 /nfs/dbraw/zinc/79/96/99/633799699.db2.gz MGOWFDYEDOEIGJ-AWEZNQCLSA-N 1 0 258.369 2.286 20 10 CECDRO CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959894 633803062 /nfs/dbraw/zinc/80/30/62/633803062.db2.gz WKGLEXBEOPAZRZ-QPUJVOFHSA-N 1 0 258.312 2.304 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)c2c1c(F)ccc2O ZINC000817977065 633819937 /nfs/dbraw/zinc/81/99/37/633819937.db2.gz ZXVCZBRIISPTSD-FYLLDIAZSA-N 1 0 282.334 2.369 20 10 CECDRO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1O ZINC000817981657 633824962 /nfs/dbraw/zinc/82/49/62/633824962.db2.gz UKWGFOPJXKPFFE-UFBFGSQYSA-N 1 0 274.286 2.179 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCO[C@H]3C)C2)cc1 ZINC000818221458 633886441 /nfs/dbraw/zinc/88/64/41/633886441.db2.gz MUFAEKODGHTQQA-JJRVBVJISA-N 1 0 290.407 2.289 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3ncc[nH]3)C2)cc1 ZINC000818221383 633887295 /nfs/dbraw/zinc/88/72/95/633887295.db2.gz RQHADWVFQZWQJM-CYBMUJFWSA-N 1 0 286.379 2.034 20 10 CECDRO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1cc(F)ccc1O ZINC000818350959 633915256 /nfs/dbraw/zinc/91/52/56/633915256.db2.gz NUDJRLHRUVZRGF-SNVBAGLBSA-N 1 0 289.372 2.007 20 10 CECDRO Nc1ccc(CCNC(=O)[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000818545132 633942771 /nfs/dbraw/zinc/94/27/71/633942771.db2.gz KIWUTUGGTRYBOQ-MRXNPFEDSA-N 1 0 289.423 2.225 20 10 CECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000818964464 634018577 /nfs/dbraw/zinc/01/85/77/634018577.db2.gz XCTKIUJSDLLJKY-INIZCTEOSA-N 1 0 292.448 2.100 20 10 CECDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C1=CC(=O)CS1 ZINC000819922957 634284037 /nfs/dbraw/zinc/28/40/37/634284037.db2.gz QFWOEMSIXIKARO-JTQLQIEISA-N 1 0 282.409 2.256 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000820041772 634319990 /nfs/dbraw/zinc/31/99/90/634319990.db2.gz QWWWUYAVUMIWBP-UHFFFAOYSA-N 1 0 289.423 2.019 20 10 CECDRO CC(C)[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1nncn1C ZINC000903066480 634952727 /nfs/dbraw/zinc/95/27/27/634952727.db2.gz VKOVODOKTCWHEX-DOMZBBRYSA-N 1 0 286.379 2.495 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC000903286774 635050739 /nfs/dbraw/zinc/05/07/39/635050739.db2.gz NVTTWHBQYKGIRT-VFHGRFQUSA-N 1 0 257.333 2.145 20 10 CECDRO CCN1CCC[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1=O ZINC000903387220 635098628 /nfs/dbraw/zinc/09/86/28/635098628.db2.gz DNGUNVXHJTYVAX-YPMHNXCESA-N 1 0 292.379 2.062 20 10 CECDRO Cc1cc(CN2CC[C@@H]3CC[C@@]32C[NH3+])ccc1N(C)C ZINC000903865209 635315382 /nfs/dbraw/zinc/31/53/82/635315382.db2.gz YSVOYVUZKVVZNQ-DOTOQJQBSA-N 1 0 273.424 2.374 20 10 CECDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)CCO1 ZINC000824320395 635404756 /nfs/dbraw/zinc/40/47/56/635404756.db2.gz HAKSOTMPBAUVTE-OLZOCXBDSA-N 1 0 265.353 2.448 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000824474767 635434025 /nfs/dbraw/zinc/43/40/25/635434025.db2.gz SFNMZSLUWNRBHF-JTQLQIEISA-N 1 0 282.771 2.051 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H](CO)[C@@H]2CC)c(O)c1 ZINC000824637172 635468461 /nfs/dbraw/zinc/46/84/61/635468461.db2.gz WKMGHIIEXAMRLA-HIFRSBDPSA-N 1 0 279.380 2.384 20 10 CECDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000824710280 635483339 /nfs/dbraw/zinc/48/33/39/635483339.db2.gz WXVCAPYTMPSERC-BBRMVZONSA-N 1 0 279.380 2.150 20 10 CECDRO CCN1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CC1=O ZINC000824893535 635519354 /nfs/dbraw/zinc/51/93/54/635519354.db2.gz UYPIPGOCUXJZOO-AWEZNQCLSA-N 1 0 284.359 2.256 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCN2CCCC2=O)cc1Cl ZINC000825058673 635553549 /nfs/dbraw/zinc/55/35/49/635553549.db2.gz IDHOFCAQNHOOBD-UHFFFAOYSA-N 1 0 296.798 2.456 20 10 CECDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000825103486 635568460 /nfs/dbraw/zinc/56/84/60/635568460.db2.gz GREXCOQZOUEEBA-LDYMZIIASA-N 1 0 286.169 2.110 20 10 CECDRO COCCOCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825138831 635578479 /nfs/dbraw/zinc/57/84/79/635578479.db2.gz YSHKWAFADKPFGC-UHFFFAOYSA-N 1 0 273.760 2.107 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@@H]2CCC[C@H]2O)ccc1OC ZINC000825231787 635594556 /nfs/dbraw/zinc/59/45/56/635594556.db2.gz ICMRFYYVWFZFKX-GOEBONIOSA-N 1 0 293.407 2.482 20 10 CECDRO COc1cccc(C[NH2+]Cc2ncccc2OC)c1O ZINC000825249324 635599440 /nfs/dbraw/zinc/59/94/40/635599440.db2.gz BUGLHOPXZDYJFJ-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H](C)CO)cc1Cl ZINC000825297701 635607559 /nfs/dbraw/zinc/60/75/59/635607559.db2.gz LHFZXYACTHRGIC-UWVGGRQHSA-N 1 0 257.761 2.461 20 10 CECDRO OCCC[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000825338325 635620421 /nfs/dbraw/zinc/62/04/21/635620421.db2.gz OKTFHVSACKGVIC-NSHDSACASA-N 1 0 253.317 2.126 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2C=C[C@H](CO)C2)cc1Cl ZINC000825436314 635637576 /nfs/dbraw/zinc/63/75/76/635637576.db2.gz RQOXUSOEYFZGPM-CMPLNLGQSA-N 1 0 267.756 2.381 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)c1 ZINC000826878084 635870407 /nfs/dbraw/zinc/87/04/07/635870407.db2.gz SJRBBXGSTJWNTH-MRXNPFEDSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2COCCO2)c1O ZINC000827140537 636233406 /nfs/dbraw/zinc/23/34/06/636233406.db2.gz LFASDSPVERHSSO-CYBMUJFWSA-N 1 0 285.771 2.201 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000827165401 636242781 /nfs/dbraw/zinc/24/27/81/636242781.db2.gz YBMOOEAUAXSLLK-SMDDNHRTSA-N 1 0 297.420 2.010 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)CC1=CCCOC1 ZINC000827184727 636249096 /nfs/dbraw/zinc/24/90/96/636249096.db2.gz GLUKVFKSFJWIBQ-UHFFFAOYSA-N 1 0 263.337 2.179 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000827205400 636256826 /nfs/dbraw/zinc/25/68/26/636256826.db2.gz MINDJSGTBYRCKT-CJNGLKHVSA-N 1 0 276.380 2.258 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1O ZINC000827283049 636279899 /nfs/dbraw/zinc/27/98/99/636279899.db2.gz OTFLNVLFVNPMRN-GDBMZVCRSA-N 1 0 261.365 2.423 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1O ZINC000827366497 636306010 /nfs/dbraw/zinc/30/60/10/636306010.db2.gz WJBDMYXQMHPQNI-UONOGXRCSA-N 1 0 261.365 2.348 20 10 CECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1COCCO1 ZINC000827442679 636322185 /nfs/dbraw/zinc/32/21/85/636322185.db2.gz PCBQINIBYDJGMA-KRWDZBQOSA-N 1 0 292.423 2.378 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1 ZINC000827681001 636388092 /nfs/dbraw/zinc/38/80/92/636388092.db2.gz SBQPZBLCENUGIV-CQSZACIVSA-N 1 0 290.407 2.437 20 10 CECDRO CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](C)[NH3+] ZINC000827901608 636454958 /nfs/dbraw/zinc/45/49/58/636454958.db2.gz RYLHNBXKNMEFLS-XHDPSFHLSA-N 1 0 295.402 2.127 20 10 CECDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827930114 636460874 /nfs/dbraw/zinc/46/08/74/636460874.db2.gz BMZVQVKHJXGZCJ-TZMCWYRMSA-N 1 0 276.380 2.444 20 10 CECDRO C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1O ZINC000827946558 636466418 /nfs/dbraw/zinc/46/64/18/636466418.db2.gz LXTHGFIUTGRIJR-GFCCVEGCSA-N 1 0 288.391 2.444 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000828013993 636486978 /nfs/dbraw/zinc/48/69/78/636486978.db2.gz QGNIBLCFURQKTJ-UHFFFAOYSA-N 1 0 273.336 2.072 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1ccc(N(C)C)cc1 ZINC000828960332 636736933 /nfs/dbraw/zinc/73/69/33/636736933.db2.gz UGDJWVNCQHFCLL-ZIAGYGMSSA-N 1 0 289.423 2.320 20 10 CECDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000829764527 636924507 /nfs/dbraw/zinc/92/45/07/636924507.db2.gz NXSXTPWGTVHIOG-CYBMUJFWSA-N 1 0 277.412 2.065 20 10 CECDRO Cc1occc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293429 637535242 /nfs/dbraw/zinc/53/52/42/637535242.db2.gz WROAPSKFVPXXLE-HNNXBMFYSA-N 1 0 287.363 2.084 20 10 CECDRO Cc1cccc2c1CCN2C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876629474 650366524 /nfs/dbraw/zinc/36/65/24/650366524.db2.gz GLVAWKROYDURFZ-WBTMPAOCSA-N 1 0 270.376 2.440 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000876633963 650368985 /nfs/dbraw/zinc/36/89/85/650368985.db2.gz YYZKZSJMEGOBEI-CQSZACIVSA-N 1 0 274.364 2.178 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1ccco1)CC2 ZINC000834502164 637849528 /nfs/dbraw/zinc/84/95/28/637849528.db2.gz NFZGTMGAVHOWCU-WCQYABFASA-N 1 0 259.305 2.296 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCc3c[nH]nc3C1)CC2 ZINC000834620986 637893414 /nfs/dbraw/zinc/89/34/14/637893414.db2.gz ZTXMVVSAOPZDTH-STQMWFEESA-N 1 0 269.348 2.250 20 10 CECDRO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(N(C)C)cc1 ZINC000834908150 637985059 /nfs/dbraw/zinc/98/50/59/637985059.db2.gz HGCWGJGBVGRLJR-MLGOLLRUSA-N 1 0 275.396 2.072 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1c(C)cc(C)cc1O)C(=O)NC ZINC000834913966 637987244 /nfs/dbraw/zinc/98/72/44/637987244.db2.gz RQCUDVJATAEJLB-RYUDHWBXSA-N 1 0 264.369 2.184 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@@H]2CCOC2)cc1 ZINC000835029600 638030595 /nfs/dbraw/zinc/03/05/95/638030595.db2.gz XYSWOILLOKSPQD-DWTRPJMMSA-N 1 0 260.381 2.487 20 10 CECDRO CCCNC(=O)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835036807 638032725 /nfs/dbraw/zinc/03/27/25/638032725.db2.gz RLNVLQOXNUYAHV-AATRIKPKSA-N 1 0 289.423 2.272 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCCN(C)C2)cc1 ZINC000835036508 638032960 /nfs/dbraw/zinc/03/29/60/638032960.db2.gz QORWOLOIZHAUPI-LEXSJLIMSA-N 1 0 273.424 2.450 20 10 CECDRO C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)[C@H](C)CO ZINC000835041430 638035205 /nfs/dbraw/zinc/03/52/05/638035205.db2.gz XHPSRQGITKLGOG-HLMASZERSA-N 1 0 262.397 2.372 20 10 CECDRO CSC[C@@H](CCO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041471 638035443 /nfs/dbraw/zinc/03/54/43/638035443.db2.gz XNGJSLYRBBLMKQ-MBVDDHJVSA-N 1 0 294.464 2.469 20 10 CECDRO COCCC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCO ZINC000835046092 638037683 /nfs/dbraw/zinc/03/76/83/638037683.db2.gz SEZLXIKUQXEEFM-GQCTYLIASA-N 1 0 292.423 2.097 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)OCCO)cc1 ZINC000835052603 638039890 /nfs/dbraw/zinc/03/98/90/638039890.db2.gz HQSKAQHYKHICSV-WAYWQWQTSA-N 1 0 292.423 2.143 20 10 CECDRO C[C@@H]1[C@H](O)CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835055747 638042632 /nfs/dbraw/zinc/04/26/32/638042632.db2.gz YNIAASPFMZUGGN-WSXGPOFGSA-N 1 0 260.381 2.221 20 10 CECDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCOc2cc(F)ccc21 ZINC000876667488 650389807 /nfs/dbraw/zinc/38/98/07/650389807.db2.gz FAPRWPXUGHDAOV-GCLPIYDQSA-N 1 0 290.338 2.107 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)c(O)c1 ZINC000876693658 650403293 /nfs/dbraw/zinc/40/32/93/650403293.db2.gz GOGVYIVXOAMUPV-AWEZNQCLSA-N 1 0 272.352 2.129 20 10 CECDRO CC[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000876713242 650408677 /nfs/dbraw/zinc/40/86/77/650408677.db2.gz HRCPOTTWEXJGMH-AWEZNQCLSA-N 1 0 291.439 2.489 20 10 CECDRO Nc1ccc(NC(=O)[C@@H]2[NH2+]CC[C@@H]3CCCC[C@@H]23)cc1 ZINC000911660529 638340597 /nfs/dbraw/zinc/34/05/97/638340597.db2.gz KKMZWJNGRKYAHB-NILFDRSVSA-N 1 0 273.380 2.376 20 10 CECDRO CN1CCCN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000876769272 650425938 /nfs/dbraw/zinc/42/59/38/650425938.db2.gz QJIVPRQAFSZADW-BOLDSZDNSA-N 1 0 299.418 2.415 20 10 CECDRO CCOCCO[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876814674 650443796 /nfs/dbraw/zinc/44/37/96/650443796.db2.gz PEOSNKSNZHBYGE-AWEZNQCLSA-N 1 0 279.380 2.328 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000876873698 650467319 /nfs/dbraw/zinc/46/73/19/650467319.db2.gz OFMXBEGVIVAFAQ-HNNXBMFYSA-N 1 0 287.407 2.149 20 10 CECDRO COC[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000163635747 639234751 /nfs/dbraw/zinc/23/47/51/639234751.db2.gz CAGKHEMISRCSKT-ZDUSSCGKSA-N 1 0 280.437 2.364 20 10 CECDRO CC(C)(CC[NH2+][C@@H]1CCc2cccc(O)c21)S(C)(=O)=O ZINC000840876857 639568843 /nfs/dbraw/zinc/56/88/43/639568843.db2.gz PNAQLMWXQAYKAJ-GFCCVEGCSA-N 1 0 297.420 2.182 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCN2CCCC2=O)c(Cl)c1 ZINC000840877111 639568880 /nfs/dbraw/zinc/56/88/80/639568880.db2.gz SYNRXBTVRZAJJZ-UHFFFAOYSA-N 1 0 296.798 2.456 20 10 CECDRO CC[S@](=O)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840897388 639576943 /nfs/dbraw/zinc/57/69/43/639576943.db2.gz OTSZXMSFCAFDDW-KRWDZBQOSA-N 1 0 275.801 2.212 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000840899571 639577886 /nfs/dbraw/zinc/57/78/86/639577886.db2.gz LXMGLPKTNCXPCF-MNOVXSKESA-N 1 0 296.798 2.488 20 10 CECDRO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc(F)ccc1O ZINC000168848081 639586933 /nfs/dbraw/zinc/58/69/33/639586933.db2.gz OPWIJMGPPRFUTA-LXIMFEHMSA-N 1 0 273.373 2.339 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(C(N)=O)CCCC1 ZINC000840936317 639591592 /nfs/dbraw/zinc/59/15/92/639591592.db2.gz JEPVMITYCCJCSN-UHFFFAOYSA-N 1 0 289.423 2.196 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000840936310 639591749 /nfs/dbraw/zinc/59/17/49/639591749.db2.gz JAFIJDIRCZHTOJ-KOMQPUFPSA-N 1 0 262.397 2.454 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)CC(F)F ZINC000840941618 639594588 /nfs/dbraw/zinc/59/45/88/639594588.db2.gz DSLCXLKYQHUYLZ-GFCCVEGCSA-N 1 0 272.339 2.167 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2([S@@](C)=O)CC2)c(Cl)c1 ZINC000840942417 639595236 /nfs/dbraw/zinc/59/52/36/639595236.db2.gz LNCDRDLEBVZSMB-GOSISDBHSA-N 1 0 287.812 2.355 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(Cl)c1 ZINC000840951036 639598615 /nfs/dbraw/zinc/59/86/15/639598615.db2.gz XQOKJAANKQNLFY-IAZYJMLFSA-N 1 0 267.756 2.024 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000840951619 639599505 /nfs/dbraw/zinc/59/95/05/639599505.db2.gz ZUOOYPBHAHQEES-HNNXBMFYSA-N 1 0 284.350 2.263 20 10 CECDRO COCC[C@@H](C)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000840954480 639600528 /nfs/dbraw/zinc/60/05/28/639600528.db2.gz FQXCIWHLFCGNGV-LLVKDONJSA-N 1 0 283.368 2.172 20 10 CECDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000840959067 639601219 /nfs/dbraw/zinc/60/12/19/639601219.db2.gz XRVIVLJLQWISCG-OAHLLOKOSA-N 1 0 298.386 2.456 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)NC(C)C)c1O ZINC000840974383 639605599 /nfs/dbraw/zinc/60/55/99/639605599.db2.gz IFBBFNRVZKJXBP-JTQLQIEISA-N 1 0 284.787 2.357 20 10 CECDRO COc1ccc2c(c1)CCN2C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841003099 639613828 /nfs/dbraw/zinc/61/38/28/639613828.db2.gz NKLCPRWZXTVCEW-CHWSQXEVSA-N 1 0 260.381 2.446 20 10 CECDRO Cc1cc(Cl)cc(CN2CC[C@H]([NH3+])[C@@H]2C)c1O ZINC000841024959 639619972 /nfs/dbraw/zinc/61/99/72/639619972.db2.gz VCOBOVYRXCHEMP-CABZTGNLSA-N 1 0 254.761 2.276 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](CN)CC(C)C)c1 ZINC000841038210 639628942 /nfs/dbraw/zinc/62/89/42/639628942.db2.gz HFJCLLFBUVCORV-CYBMUJFWSA-N 1 0 266.385 2.254 20 10 CECDRO Cc1cc(Cl)cc(CN[C@@H]2CCC[NH2+]C2)c1O ZINC000841043118 639630048 /nfs/dbraw/zinc/63/00/48/639630048.db2.gz PZYDALFTHHJCLX-GFCCVEGCSA-N 1 0 254.761 2.196 20 10 CECDRO CN(C)c1ccc([C@H](N)C[NH2+]C[C@H]2CCSC2)cc1 ZINC000841046259 639631083 /nfs/dbraw/zinc/63/10/83/639631083.db2.gz YQKPPYSBDZGIAR-IUODEOHRSA-N 1 0 279.453 2.095 20 10 CECDRO C[C@H]1CC[NH2+]C[C@H]1NCc1cc(Br)ccc1O ZINC000841059576 639636869 /nfs/dbraw/zinc/63/68/69/639636869.db2.gz UUTXMQQXLMKTCB-JOYOIKCWSA-N 1 0 299.212 2.242 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000841069319 639642733 /nfs/dbraw/zinc/64/27/33/639642733.db2.gz UGEGKEDAZKGIAH-MRXNPFEDSA-N 1 0 268.360 2.369 20 10 CECDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000876996617 650523933 /nfs/dbraw/zinc/52/39/33/650523933.db2.gz XBIWTTIPYFBICO-IUODEOHRSA-N 1 0 288.391 2.158 20 10 CECDRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000876996618 650524260 /nfs/dbraw/zinc/52/42/60/650524260.db2.gz XBIWTTIPYFBICO-SWLSCSKDSA-N 1 0 288.391 2.158 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000062856527 639789524 /nfs/dbraw/zinc/78/95/24/639789524.db2.gz YDQKIUOUOKLWPX-QGZVFWFLSA-N 1 0 289.423 2.101 20 10 CECDRO Cn1ccc(CC[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000230881785 639797687 /nfs/dbraw/zinc/79/76/87/639797687.db2.gz LQFKKAAEBBCZBG-UHFFFAOYSA-N 1 0 265.744 2.111 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](N3CC=CC3)C2)cc1C ZINC000172932333 639826022 /nfs/dbraw/zinc/82/60/22/639826022.db2.gz RFQONASROUICKU-INIZCTEOSA-N 1 0 272.392 2.455 20 10 CECDRO COCCCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000841692399 639840053 /nfs/dbraw/zinc/84/00/53/639840053.db2.gz PWTLOKQPOHVHIE-UHFFFAOYSA-N 1 0 283.368 2.268 20 10 CECDRO C[C@@H]([NH2+]CC1(C)OCCO1)c1ccc(Cl)cc1O ZINC000841751416 639858126 /nfs/dbraw/zinc/85/81/26/639858126.db2.gz MRYLUJONJBOXGO-SECBINFHSA-N 1 0 271.744 2.459 20 10 CECDRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841752544 639858358 /nfs/dbraw/zinc/85/83/58/639858358.db2.gz UFNJJZXDNOUCPB-DTWKUNHWSA-N 1 0 291.800 2.129 20 10 CECDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841762709 639859439 /nfs/dbraw/zinc/85/94/39/639859439.db2.gz JSMFFSQWGMNZGK-ZANVPECISA-N 1 0 273.760 2.094 20 10 CECDRO CCN1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1=O ZINC000841759301 639859616 /nfs/dbraw/zinc/85/96/16/639859616.db2.gz YJLZNTKSSOBCTI-ONGXEEELSA-N 1 0 282.771 2.317 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000841941104 639908988 /nfs/dbraw/zinc/90/89/88/639908988.db2.gz KVKBUUNEZCSUKY-AWEZNQCLSA-N 1 0 291.395 2.066 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000841944432 639909457 /nfs/dbraw/zinc/90/94/57/639909457.db2.gz HVODKUGHKXQFCS-CQSZACIVSA-N 1 0 293.411 2.297 20 10 CECDRO CC(=O)c1cc(F)cc(CN[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1O ZINC000842476088 640075904 /nfs/dbraw/zinc/07/59/04/640075904.db2.gz GHKPCWVEZFYJPI-FEUHOPSXSA-N 1 0 294.370 2.210 20 10 CECDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000842754604 640170902 /nfs/dbraw/zinc/17/09/02/640170902.db2.gz QSWDLJPRPYGNJB-ZYHUDNBSSA-N 1 0 281.352 2.008 20 10 CECDRO CC[C@H]([NH2+]CCCc1ncn(C)n1)c1ccccc1O ZINC000842902234 640216690 /nfs/dbraw/zinc/21/66/90/640216690.db2.gz MNEDFVQGNXLTKI-ZDUSSCGKSA-N 1 0 274.368 2.194 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCc2ncn(C)n2)c(O)c1 ZINC000842902149 640216861 /nfs/dbraw/zinc/21/68/61/640216861.db2.gz MBIJBMPAUIEUSH-GFCCVEGCSA-N 1 0 274.368 2.113 20 10 CECDRO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cc(F)ccc1O ZINC000842921384 640221380 /nfs/dbraw/zinc/22/13/80/640221380.db2.gz YFXCRDQDKKZVBN-MEDUHNTESA-N 1 0 297.370 2.360 20 10 CECDRO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cc(F)ccc1O ZINC000842921383 640221478 /nfs/dbraw/zinc/22/14/78/640221478.db2.gz YFXCRDQDKKZVBN-BZNIZROVSA-N 1 0 297.370 2.360 20 10 CECDRO CN(C(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc(N)cc1 ZINC000877074260 650560502 /nfs/dbraw/zinc/56/05/02/650560502.db2.gz DYZSYYMFZBRKQF-LBPRGKRZSA-N 1 0 261.369 2.011 20 10 CECDRO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877077329 650562082 /nfs/dbraw/zinc/56/20/82/650562082.db2.gz DGCGCEKYPXTSLH-AWEZNQCLSA-N 1 0 261.369 2.106 20 10 CECDRO [NH3+]CC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000843047090 640251149 /nfs/dbraw/zinc/25/11/49/640251149.db2.gz GLSLHWVSAUOPOF-UHFFFAOYSA-N 1 0 272.751 2.355 20 10 CECDRO Oc1cccc(Cl)c1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843104780 640282674 /nfs/dbraw/zinc/28/26/74/640282674.db2.gz MAQJFZREYSIZTO-PHIMTYICSA-N 1 0 266.772 2.372 20 10 CECDRO Oc1ccc(F)cc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000843118085 640287530 /nfs/dbraw/zinc/28/75/30/640287530.db2.gz WJSKDWDQBYEVPM-OAHLLOKOSA-N 1 0 287.338 2.073 20 10 CECDRO Cc1cc(Cl)cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC000843120783 640289389 /nfs/dbraw/zinc/28/93/89/640289389.db2.gz UNZGGLLXAUFLQA-BXKDBHETSA-N 1 0 254.761 2.133 20 10 CECDRO C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1[NH3+] ZINC000843120378 640289675 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265.353 2.478 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCOC[C@H]2CCOC2)c1O ZINC000846148092 641202689 /nfs/dbraw/zinc/20/26/89/641202689.db2.gz XCOXIMVWLRQSKA-STQMWFEESA-N 1 0 295.379 2.105 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCC[C@H](C)CO)c1O ZINC000846158351 641207195 /nfs/dbraw/zinc/20/71/95/641207195.db2.gz WUZCLKQHHBOMIC-RYUDHWBXSA-N 1 0 267.369 2.460 20 10 CECDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846159264 641207217 /nfs/dbraw/zinc/20/72/17/641207217.db2.gz DXTQDGZBUNCMGP-NSHDSACASA-N 1 0 294.395 2.214 20 10 CECDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846165843 641209000 /nfs/dbraw/zinc/20/90/00/641209000.db2.gz ZQWJIEMVDVGCEG-XLMCQVRKSA-N 1 0 265.353 2.379 20 10 CECDRO CCOC[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846163969 641209688 /nfs/dbraw/zinc/20/96/88/641209688.db2.gz KSSFTCKKDHGCLA-QWRGUYRKSA-N 1 0 253.342 2.476 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCC2(CO)CC2)c1O ZINC000846168861 641210552 /nfs/dbraw/zinc/21/05/52/641210552.db2.gz 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ZINC000922571070 643134382 /nfs/dbraw/zinc/13/43/82/643134382.db2.gz FDHCLNLIRDWNQF-OAHLLOKOSA-N 1 0 297.420 2.403 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCn2ccnn2)c1 ZINC000126627818 650820665 /nfs/dbraw/zinc/82/06/65/650820665.db2.gz AQMSZKKWNITRJW-LBPRGKRZSA-N 1 0 260.341 2.033 20 10 CECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877655259 650836256 /nfs/dbraw/zinc/83/62/56/650836256.db2.gz SLHIVJHDTOFJCM-ZDUSSCGKSA-N 1 0 275.348 2.442 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000877657064 650837225 /nfs/dbraw/zinc/83/72/25/650837225.db2.gz HALVSQCRWVLDPN-UHFFFAOYSA-N 1 0 290.407 2.439 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2CCOC(F)F ZINC000852740612 643528041 /nfs/dbraw/zinc/52/80/41/643528041.db2.gz FXBHFOGDCRRVAE-UHFFFAOYSA-N 1 0 256.296 2.137 20 10 CECDRO COc1ccc(N(C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1Cl ZINC000852745884 643532388 /nfs/dbraw/zinc/53/23/88/643532388.db2.gz CPWPGSBBHKQAHE-GFCCVEGCSA-N 1 0 296.798 2.306 20 10 CECDRO CCOC(=O)c1cc(C[NH2+]Cc2cccc(C)c2O)on1 ZINC000877711693 650865829 /nfs/dbraw/zinc/86/58/29/650865829.db2.gz VPOODZAMXJHWSU-UHFFFAOYSA-N 1 0 290.319 2.155 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c1 ZINC000853554677 643811777 /nfs/dbraw/zinc/81/17/77/643811777.db2.gz BZTJFXHPTFKPNY-ZFWWWQNUSA-N 1 0 288.391 2.110 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cc1C ZINC000853568301 643815267 /nfs/dbraw/zinc/81/52/67/643815267.db2.gz ZMHYKVINDNDPJR-ZBFHGGJFSA-N 1 0 261.365 2.477 20 10 CECDRO CC[C@@H]([NH2+]Cc1cnnn1CC)c1ccccc1O ZINC000838913704 644066733 /nfs/dbraw/zinc/06/67/33/644066733.db2.gz WQGBWLIOMOVIMN-CYBMUJFWSA-N 1 0 260.341 2.245 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)[C@H]1SC ZINC000838948541 644079870 /nfs/dbraw/zinc/07/98/70/644079870.db2.gz UDVCEJSMYQOADF-BPLDGKMQSA-N 1 0 297.420 2.399 20 10 CECDRO COc1cccc(O)c1C[NH+]1CC2(CC(F)C2)C1 ZINC000839139093 644170913 /nfs/dbraw/zinc/17/09/13/644170913.db2.gz BWRVUNXMMXBPIZ-UHFFFAOYSA-N 1 0 251.301 2.335 20 10 CECDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCOCC3)cc1 ZINC000839140826 644172402 /nfs/dbraw/zinc/17/24/02/644172402.db2.gz IQWBFCQIGUEENZ-UHFFFAOYSA-N 1 0 260.381 2.365 20 10 CECDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1O)[C@H]1CCOC1 ZINC000877758039 650900037 /nfs/dbraw/zinc/90/00/37/650900037.db2.gz GKEYJPUYBQXPCU-HUBLWGQQSA-N 1 0 265.353 2.094 20 10 CECDRO COCCC[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000754722117 644420132 /nfs/dbraw/zinc/42/01/32/644420132.db2.gz CXTJFPQKGQHXSN-UHFFFAOYSA-N 1 0 253.342 2.178 20 10 CECDRO Oc1ccccc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000756035260 644596221 /nfs/dbraw/zinc/59/62/21/644596221.db2.gz TVDZIFISHXSKME-UHFFFAOYSA-N 1 0 269.348 2.392 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCNC2=O)c2c1c(F)ccc2O ZINC000756395814 644643611 /nfs/dbraw/zinc/64/36/11/644643611.db2.gz JJNSDZCZXRILHF-JLLWLGSASA-N 1 0 292.354 2.338 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Cl)ccc1O ZINC000756510454 644657114 /nfs/dbraw/zinc/65/71/14/644657114.db2.gz IJYAJHXYSVULSO-GXFFZTMASA-N 1 0 299.798 2.484 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)c2c1c(F)ccc2O ZINC000756637194 644677161 /nfs/dbraw/zinc/67/71/61/644677161.db2.gz HCXGVRWFIPUXGB-YUSALJHKSA-N 1 0 292.354 2.290 20 10 CECDRO CCn1cnnc1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756734596 644688506 /nfs/dbraw/zinc/68/85/06/644688506.db2.gz YGFGZOLHQFMKHY-JTQLQIEISA-N 1 0 278.331 2.036 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cccnc2)c1 ZINC000756756730 644689536 /nfs/dbraw/zinc/68/95/36/644689536.db2.gz AGIVCFWHHMOCIX-MEDUHNTESA-N 1 0 288.347 2.180 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756775460 644691654 /nfs/dbraw/zinc/69/16/54/644691654.db2.gz QPHDNDCCRQMSAI-SCRDCRAPSA-N 1 0 276.380 2.266 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@H]3CCO[C@@H]3C)CC2)cc1 ZINC000877912515 650945225 /nfs/dbraw/zinc/94/52/25/650945225.db2.gz XOHOGNZRXYZMAC-HUUCEWRRSA-N 1 0 290.407 2.242 20 10 CECDRO CCCCNC(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000839538401 644741680 /nfs/dbraw/zinc/74/16/80/644741680.db2.gz CGEDMJVDSYLZED-LBPRGKRZSA-N 1 0 294.395 2.358 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1[NH3+] ZINC000843052029 644758813 /nfs/dbraw/zinc/75/88/13/644758813.db2.gz OROTUMJYBITVGJ-SKDRFNHKSA-N 1 0 254.761 2.215 20 10 CECDRO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)[nH]1 ZINC000839658195 644765198 /nfs/dbraw/zinc/76/51/98/644765198.db2.gz DKRIFVBMIMALRA-AWEZNQCLSA-N 1 0 285.395 2.169 20 10 CECDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000843057990 644782318 /nfs/dbraw/zinc/78/23/18/644782318.db2.gz JXRWQLWKRINZOM-CQSZACIVSA-N 1 0 279.403 2.466 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c1O ZINC000857061066 644806345 /nfs/dbraw/zinc/80/63/45/644806345.db2.gz JESXYKHCMCMLIH-SWLSCSKDSA-N 1 0 263.381 2.405 20 10 CECDRO C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@H]1CO ZINC000857061648 644806758 /nfs/dbraw/zinc/80/67/58/644806758.db2.gz SVEUIABNSKDXOG-QWRGUYRKSA-N 1 0 269.772 2.496 20 10 CECDRO COC[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)OC ZINC000757638535 644829272 /nfs/dbraw/zinc/82/92/72/644829272.db2.gz QMVUTPGSBFJIOW-JBLDHEPKSA-N 1 0 283.343 2.331 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CCCn2ccnn2)c2c1c(F)ccc2O ZINC000757656507 644831590 /nfs/dbraw/zinc/83/15/90/644831590.db2.gz IXCQIBOMCZNEQF-ZYHUDNBSSA-N 1 0 290.342 2.351 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1F ZINC000858191881 645084852 /nfs/dbraw/zinc/08/48/52/645084852.db2.gz DMUUFWCSVLDQGD-LSDHHAIUSA-N 1 0 296.361 2.424 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2ccc[nH]c2=O)cc1F ZINC000858304017 645111510 /nfs/dbraw/zinc/11/15/10/645111510.db2.gz CEHRDRCPYXPWPT-UHFFFAOYSA-N 1 0 275.327 2.282 20 10 CECDRO CCOc1cccc(C[N@H+](C)C[C@H](O)C(F)(F)F)c1O ZINC000809750792 645187427 /nfs/dbraw/zinc/18/74/27/645187427.db2.gz IBEGXNBCHDBKTB-NSHDSACASA-N 1 0 293.285 2.146 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000760886884 645207406 /nfs/dbraw/zinc/20/74/06/645207406.db2.gz OTPJDYHDOLMNGW-PSOPSSQASA-N 1 0 283.343 2.376 20 10 CECDRO CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000858580601 645208971 /nfs/dbraw/zinc/20/89/71/645208971.db2.gz SDQPENXAWJJVPT-BDAKNGLRSA-N 1 0 286.759 2.105 20 10 CECDRO COc1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)cc1C ZINC000763466883 645548922 /nfs/dbraw/zinc/54/89/22/645548922.db2.gz NQZMZTTYFHYLLI-INIZCTEOSA-N 1 0 293.407 2.271 20 10 CECDRO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1cc(F)ccc1O ZINC000763559097 645557892 /nfs/dbraw/zinc/55/78/92/645557892.db2.gz QPGNUPFHWGBXJE-IAQYHMDHSA-N 1 0 297.370 2.360 20 10 CECDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)CCOC1 ZINC000763573562 645558421 /nfs/dbraw/zinc/55/84/21/645558421.db2.gz SVTGFMIJMXBODD-XJKSGUPXSA-N 1 0 279.380 2.465 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000765794496 645811346 /nfs/dbraw/zinc/81/13/46/645811346.db2.gz CQYHVLIZJBJZRQ-NEPJUHHUSA-N 1 0 282.771 2.050 20 10 CECDRO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000765898621 645819940 /nfs/dbraw/zinc/81/99/40/645819940.db2.gz IPILAPGGFYNFKZ-GJZGRUSLSA-N 1 0 292.423 2.456 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)COC)cc1 ZINC000765934747 645823366 /nfs/dbraw/zinc/82/33/66/645823366.db2.gz CRLDIFBROSLOKD-CZUORRHYSA-N 1 0 280.412 2.191 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)Cc2cnn(C)c2)cc1C ZINC000768400964 646119206 /nfs/dbraw/zinc/11/92/06/646119206.db2.gz BWOBEOJNRGQKJT-CYBMUJFWSA-N 1 0 273.380 2.458 20 10 CECDRO CC(C)[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439332 646121539 /nfs/dbraw/zinc/12/15/39/646121539.db2.gz KITJRTKQHZJKIA-YGRLFVJLSA-N 1 0 265.353 2.294 20 10 CECDRO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H](C)S1 ZINC000768465237 646127680 /nfs/dbraw/zinc/12/76/80/646127680.db2.gz DJTZYHQLFUYBAI-ISTVAULSSA-N 1 0 295.404 2.144 20 10 CECDRO Oc1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000768869222 646176577 /nfs/dbraw/zinc/17/65/77/646176577.db2.gz RMZCNMLWXAIQAQ-UHFFFAOYSA-N 1 0 299.326 2.385 20 10 CECDRO CC[C@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@@H](C)O1 ZINC000769104679 646206327 /nfs/dbraw/zinc/20/63/27/646206327.db2.gz JFXRILSZGVRNPA-NEPJUHHUSA-N 1 0 265.353 2.400 20 10 CECDRO COc1cccc(O)c1C[NH+]1CCC(n2ccnc2)CC1 ZINC000769187874 646221376 /nfs/dbraw/zinc/22/13/76/646221376.db2.gz KQOGCXYBEARXEY-UHFFFAOYSA-N 1 0 287.363 2.434 20 10 CECDRO COc1cccc(O)c1CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000769326846 646245743 /nfs/dbraw/zinc/24/57/43/646245743.db2.gz PUJLPGUWNSUJAW-ZDUSSCGKSA-N 1 0 276.380 2.069 20 10 CECDRO CCOc1ccc(C[NH+]2CCC(C)(O)CC2)c(O)c1 ZINC000769445855 646267922 /nfs/dbraw/zinc/26/79/22/646267922.db2.gz GYVDKNCTBXVTOK-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCCOC[C@@H]2C)c1 ZINC000769454950 646269837 /nfs/dbraw/zinc/26/98/37/646269837.db2.gz BLIQLIIPFQZYCE-LBPRGKRZSA-N 1 0 265.353 2.402 20 10 CECDRO COc1cccc(O)c1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000769485399 646275556 /nfs/dbraw/zinc/27/55/56/646275556.db2.gz QMRCDDPAYMSTNH-STQMWFEESA-N 1 0 278.396 2.315 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c(O)c1 ZINC000769709731 646304852 /nfs/dbraw/zinc/30/48/52/646304852.db2.gz JKALBZAACSABLZ-DGCLKSJQSA-N 1 0 265.353 2.448 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H]1O ZINC000862253784 646382668 /nfs/dbraw/zinc/38/26/68/646382668.db2.gz SNIDHYFQROJIMU-ZUZCIYMTSA-N 1 0 284.350 2.234 20 10 CECDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862308449 646400266 /nfs/dbraw/zinc/40/02/66/646400266.db2.gz ARXJEYNXINPZKO-MNOVXSKESA-N 1 0 284.350 2.234 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H]1CO ZINC000862336870 646403112 /nfs/dbraw/zinc/40/31/12/646403112.db2.gz MXJLPVKBOOVBDL-BMIGLBTASA-N 1 0 284.350 2.234 20 10 CECDRO CO[C@@H](C)C[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862366522 646415851 /nfs/dbraw/zinc/41/58/51/646415851.db2.gz RTMCLWQJMSTRDK-JTQLQIEISA-N 1 0 272.339 2.498 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1OC ZINC000862529183 646484778 /nfs/dbraw/zinc/48/47/78/646484778.db2.gz HNHKMTZGACDCAR-TZMCWYRMSA-N 1 0 293.363 2.067 20 10 CECDRO CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000773101154 646706407 /nfs/dbraw/zinc/70/64/07/646706407.db2.gz ANZKKUGLAARCRC-WFASDCNBSA-N 1 0 298.452 2.226 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)cc1 ZINC000773104974 646707405 /nfs/dbraw/zinc/70/74/05/646707405.db2.gz PMHJKATVJIKPPW-CHWSQXEVSA-N 1 0 298.452 2.226 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000773734252 646771352 /nfs/dbraw/zinc/77/13/52/646771352.db2.gz NTRNAJZHAQJOEL-HNNXBMFYSA-N 1 0 262.397 2.347 20 10 CECDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccccc2O)C1 ZINC000775348198 646944159 /nfs/dbraw/zinc/94/41/59/646944159.db2.gz UIFIKCXKQLQCCG-GXTWGEPZSA-N 1 0 292.379 2.349 20 10 CECDRO CC[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[NH+](C)C ZINC000775409311 646951813 /nfs/dbraw/zinc/95/18/13/646951813.db2.gz DTXJWVIOCZPCNS-DOMZBBRYSA-N 1 0 277.412 2.270 20 10 CECDRO CC[C@@H]([NH2+]CCS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000775496591 646960648 /nfs/dbraw/zinc/96/06/48/646960648.db2.gz JUAIRPSCFOXECO-LLVKDONJSA-N 1 0 291.800 2.131 20 10 CECDRO CC[C@H]([NH2+]C[C@]1(O)CCOC1)c1cc(Cl)ccc1O ZINC000775522913 646962870 /nfs/dbraw/zinc/96/28/70/646962870.db2.gz BQDGEZGNEGPESF-GXTWGEPZSA-N 1 0 285.771 2.238 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864459781 647014493 /nfs/dbraw/zinc/01/44/93/647014493.db2.gz CEKYLSRKEYHOKS-FZMZJTMJSA-N 1 0 260.385 2.083 20 10 CECDRO COc1cccc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000777220438 647121510 /nfs/dbraw/zinc/12/15/10/647121510.db2.gz RHZDNWAZVOJXAU-LLVKDONJSA-N 1 0 294.395 2.136 20 10 CECDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(F)ccc2O)C[C@@H]1C ZINC000779018345 647281794 /nfs/dbraw/zinc/28/17/94/647281794.db2.gz FUKDTVGASGXGEA-RYUDHWBXSA-N 1 0 266.360 2.446 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c(O)c1 ZINC000865710497 647433047 /nfs/dbraw/zinc/43/30/47/647433047.db2.gz AWBCGMCXYNTHCV-PELKAZGASA-N 1 0 293.285 2.192 20 10 CECDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000782981114 647668267 /nfs/dbraw/zinc/66/82/67/647668267.db2.gz XXUBWTOMXYGDPR-WDEREUQCSA-N 1 0 254.349 2.141 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1F ZINC000783737430 647755028 /nfs/dbraw/zinc/75/50/28/647755028.db2.gz ZXOFTJJIEFQSND-WMLDXEAASA-N 1 0 292.398 2.486 20 10 CECDRO OC[C@]12C[C@H]1C[N@H+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC000783745888 647756632 /nfs/dbraw/zinc/75/66/32/647756632.db2.gz WXPUTUNYBDOFDU-FUHWJXTLSA-N 1 0 286.419 2.491 20 10 CECDRO CN(CC1([NH+](C)C)CCC1)C(=O)C1=CC(=O)CS1 ZINC000783960243 647780965 /nfs/dbraw/zinc/78/09/65/647780965.db2.gz HXEXPABFPXTWSL-UHFFFAOYSA-N 1 0 268.382 2.010 20 10 CECDRO C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(N(C)C)cc1 ZINC000866494008 647804885 /nfs/dbraw/zinc/80/48/85/647804885.db2.gz GBUWWMZFOOHNBB-CYBMUJFWSA-N 1 0 297.406 2.082 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000787421145 648107399 /nfs/dbraw/zinc/10/73/99/648107399.db2.gz NUUOWKHLIKYWQP-DOMZBBRYSA-N 1 0 276.380 2.136 20 10 CECDRO CCn1cccc(C[NH2+]Cc2cc(C)ccc2O)c1=O ZINC000788523893 648198606 /nfs/dbraw/zinc/19/86/06/648198606.db2.gz IRAMICDKLHSERN-UHFFFAOYSA-N 1 0 272.348 2.172 20 10 CECDRO COC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CCCO1 ZINC000788535246 648200376 /nfs/dbraw/zinc/20/03/76/648200376.db2.gz LDYMXEWHRVILTE-OCCSQVGLSA-N 1 0 285.771 2.329 20 10 CECDRO C[NH+](C)Cc1ccccc1NC(=O)c1cccc(O)c1O ZINC000790530529 648427385 /nfs/dbraw/zinc/42/73/85/648427385.db2.gz OUXDNUTXTDPRFB-UHFFFAOYSA-N 1 0 286.331 2.412 20 10 CECDRO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000791566673 648544243 /nfs/dbraw/zinc/54/42/43/648544243.db2.gz CJQVPGKCNXBHNX-ZIAGYGMSSA-N 1 0 289.423 2.194 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]Cc1ncccc1O ZINC000793257151 648731680 /nfs/dbraw/zinc/73/16/80/648731680.db2.gz QRSOKQOCCXOLSI-UHFFFAOYSA-N 1 0 264.712 2.436 20 10 CECDRO COc1cc(O)c(C[NH2+]Cc2cccnc2F)cc1OC ZINC000793280803 648736385 /nfs/dbraw/zinc/73/63/85/648736385.db2.gz MGMPHICPNCTTLP-UHFFFAOYSA-N 1 0 292.310 2.233 20 10 CECDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000793287293 648737116 /nfs/dbraw/zinc/73/71/16/648737116.db2.gz XXDOOUPPVQGSHD-LBPRGKRZSA-N 1 0 296.798 2.394 20 10 CECDRO CCCNC(=O)C[N@H+](CCC)Cc1ccc(N(C)C)cc1 ZINC000123237767 648852509 /nfs/dbraw/zinc/85/25/09/648852509.db2.gz ZNVSCPYYYOKXOX-UHFFFAOYSA-N 1 0 291.439 2.491 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)c1ccccc1O ZINC000870988491 648971209 /nfs/dbraw/zinc/97/12/09/648971209.db2.gz QRXBUGPRYXNQGP-HONMWMINSA-N 1 0 274.364 2.100 20 10 CECDRO C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)c1ccccc1O ZINC000870988312 648971251 /nfs/dbraw/zinc/97/12/51/648971251.db2.gz MGZSGATXOHLYQL-IJLUTSLNSA-N 1 0 262.353 2.087 20 10 CECDRO COc1ccc(C[NH2+]CC2CC2)cc1Cn1cccn1 ZINC000873011451 649530430 /nfs/dbraw/zinc/53/04/30/649530430.db2.gz YJMLIAXTIVENEO-UHFFFAOYSA-N 1 0 271.364 2.440 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H](CCO)COC)cc1C ZINC000873058046 649546065 /nfs/dbraw/zinc/54/60/65/649546065.db2.gz IHCVOTKAVKKBPD-OAHLLOKOSA-N 1 0 281.396 2.271 20 10 CECDRO CCCOc1ccc(C[NH2+]CC[C@]2(O)CCOC2)cc1C ZINC000873134133 649566494 /nfs/dbraw/zinc/56/64/94/649566494.db2.gz XRNGYHOFBJOBQW-KRWDZBQOSA-N 1 0 293.407 2.415 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C1CC[NH2+]CC1 ZINC000873268740 649618972 /nfs/dbraw/zinc/61/89/72/649618972.db2.gz GPPRIFYAYMJGRX-MNOVXSKESA-N 1 0 293.367 2.339 20 10 CECDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649033 651335290 /nfs/dbraw/zinc/33/52/90/651335290.db2.gz JURGEQLKMRCNIW-QJPTWQEYSA-N 1 0 264.369 2.346 20 10 CECDRO C[C@H]([NH2+]CC(=O)N1CCCCCC1)c1ccccc1O ZINC000879653022 651336063 /nfs/dbraw/zinc/33/60/63/651336063.db2.gz KHYRAVCADGDWJI-ZDUSSCGKSA-N 1 0 276.380 2.445 20 10 CECDRO COCc1ccc(C[NH2+]Cc2cc(OC)ccc2O)o1 ZINC000128125337 651373075 /nfs/dbraw/zinc/37/30/75/651373075.db2.gz QQGXQTWURIDTPS-UHFFFAOYSA-N 1 0 277.320 2.430 20 10 CECDRO C[NH2+]C[C@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000128326379 651418678 /nfs/dbraw/zinc/41/86/78/651418678.db2.gz YGYRBHKHCCQPKH-SNVBAGLBSA-N 1 0 254.761 2.087 20 10 CECDRO C[NH2+]C(C)(C)c1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881377918 651701851 /nfs/dbraw/zinc/70/18/51/651701851.db2.gz YDQGIYKTTICARU-UHFFFAOYSA-N 1 0 287.411 2.155 20 10 CECDRO CC[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(C)cc1O ZINC000883375280 652448410 /nfs/dbraw/zinc/44/84/10/652448410.db2.gz IFMDLCBCUIDFSW-YRGRVCCFSA-N 1 0 297.420 2.317 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)cc1C ZINC000883403621 652457906 /nfs/dbraw/zinc/45/79/06/652457906.db2.gz YQORKGPIJGSVIG-OAHLLOKOSA-N 1 0 288.391 2.110 20 10 CECDRO COC[C@@H](C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000131909470 652480147 /nfs/dbraw/zinc/48/01/47/652480147.db2.gz JLCGHFGTMYQYSN-HNNXBMFYSA-N 1 0 292.423 2.238 20 10 CECDRO CCOc1cccc(C[N@H+](CC(N)=O)C2CCCC2)c1O ZINC000132991165 652581783 /nfs/dbraw/zinc/58/17/83/652581783.db2.gz WGUMSXMRGPTVGQ-UHFFFAOYSA-N 1 0 292.379 2.021 20 10 CECDRO OCC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCC1 ZINC000135067285 652918926 /nfs/dbraw/zinc/91/89/26/652918926.db2.gz RTFNGFQWMYXZBK-UHFFFAOYSA-N 1 0 261.365 2.264 20 10 CECDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000135127542 652936041 /nfs/dbraw/zinc/93/60/41/652936041.db2.gz JCUYZZLMGUIEQJ-CYBMUJFWSA-N 1 0 277.412 2.272 20 10 CECDRO C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccccc1O ZINC000135719426 652980192 /nfs/dbraw/zinc/98/01/92/652980192.db2.gz YNLMTBHAWQJBEF-NSHDSACASA-N 1 0 264.369 2.348 20 10 CECDRO C[N@@H+]1CCN(Cc2cc(F)c(F)cc2O)CC1(C)C ZINC001142527357 806620320 /nfs/dbraw/zinc/62/03/20/806620320.db2.gz SBXCJKOYOCGZFA-UHFFFAOYSA-N 1 0 270.323 2.196 20 10 CECDRO CC[C@H]([NH2+]C[C@]1(OC)CCOC1)c1ccccc1O ZINC000160140848 806857319 /nfs/dbraw/zinc/85/73/19/806857319.db2.gz GFXSMNUTQTYWTF-DZGCQCFKSA-N 1 0 265.353 2.238 20 10 CECDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@@H](F)C2)cc1 ZINC001210580903 802709253 /nfs/dbraw/zinc/70/92/53/802709253.db2.gz MYZUPMMGYQXNRW-OAHLLOKOSA-N 1 0 279.403 2.276 20 10 CECDRO C[NH+](C)C1(C)CN(Cc2c(O)cccc2Cl)C1 ZINC001140341544 802839914 /nfs/dbraw/zinc/83/99/14/802839914.db2.gz VEZAMUUHMIUZJC-UHFFFAOYSA-N 1 0 254.761 2.182 20 10 CECDRO CC(C)(C[NH2+][C@@H]1CCc2cccc(O)c21)CS(C)(=O)=O ZINC000723878841 802960942 /nfs/dbraw/zinc/96/09/42/802960942.db2.gz OQTZWMASHCJPTK-GFCCVEGCSA-N 1 0 297.420 2.040 20 10 CECDRO FC1(F)C[C@H]1OCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000690724977 803028963 /nfs/dbraw/zinc/02/89/63/803028963.db2.gz JLQFAAGWZVYCGF-CYBMUJFWSA-N 1 0 269.291 2.135 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@]23CCOC3)ccc1N(C)C ZINC001117990518 814973663 /nfs/dbraw/zinc/97/36/63/814973663.db2.gz YVDFXPMPOVVLAJ-MRXNPFEDSA-N 1 0 260.381 2.426 20 10 CECDRO C[NH+](C)C1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000715534181 814974045 /nfs/dbraw/zinc/97/40/45/814974045.db2.gz VPFZJLIORSYYDU-UHFFFAOYSA-N 1 0 276.384 2.263 20 10 CECDRO CC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000037138306 815027143 /nfs/dbraw/zinc/02/71/43/815027143.db2.gz KWCMVNIZXIZGDJ-GFCCVEGCSA-N 1 0 276.380 2.362 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC2(O)CCCC2)c1O ZINC001119445212 815113294 /nfs/dbraw/zinc/11/32/94/815113294.db2.gz IEBBIFZPUBMKSU-UHFFFAOYSA-N 1 0 265.353 2.104 20 10 CECDRO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(N(C)C)cc1 ZINC000716699072 815143073 /nfs/dbraw/zinc/14/30/73/815143073.db2.gz OWGFWCJQSDVDIF-MFKMUULPSA-N 1 0 272.339 2.419 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1O ZINC000716758440 815145037 /nfs/dbraw/zinc/14/50/37/815145037.db2.gz MJAVYJKQWFODHR-YPMHNXCESA-N 1 0 274.364 2.054 20 10 CECDRO CCC[C@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000716889115 815157265 /nfs/dbraw/zinc/15/72/65/815157265.db2.gz XSWDKRCVGKSNJX-CQSZACIVSA-N 1 0 250.386 2.393 20 10 CECDRO C[N@@H+]1CCCN(Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237120103 808192842 /nfs/dbraw/zinc/19/28/42/808192842.db2.gz JANCRAUGPRUCPW-UHFFFAOYSA-N 1 0 272.751 2.322 20 10 CECDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001120371103 815217609 /nfs/dbraw/zinc/21/76/09/815217609.db2.gz QJFLYBZZLNXRMP-LLVKDONJSA-N 1 0 272.396 2.340 20 10 CECDRO Oc1cccc(C[NH2+][C@@H]2Cc3cccc(F)c3C2)c1O ZINC001171783189 815234946 /nfs/dbraw/zinc/23/49/46/815234946.db2.gz LMFVFKRWNCMAHB-GFCCVEGCSA-N 1 0 273.307 2.494 20 10 CECDRO CN1CC[C@]2(CCC[N@@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001273108609 809219983 /nfs/dbraw/zinc/21/99/83/809219983.db2.gz WAVDUBFUGUMVSC-OAHLLOKOSA-N 1 0 294.782 2.242 20 10 CECDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000701015872 809379592 /nfs/dbraw/zinc/37/95/92/809379592.db2.gz SCZRKDKGCQIXEU-RKDXNWHRSA-N 1 0 288.185 2.404 20 10 CECDRO CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703394793 809649803 /nfs/dbraw/zinc/64/98/03/809649803.db2.gz MLAVXJZSQSYEHC-NSHDSACASA-N 1 0 284.350 2.492 20 10 CECDRO CC1(O)CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000703513564 809653598 /nfs/dbraw/zinc/65/35/98/809653598.db2.gz BDLYFDLXUAGSLB-UHFFFAOYSA-N 1 0 253.317 2.315 20 10 CECDRO C[C@]12C[NH2+]C[C@H]1CN(Cc1c(O)cccc1Cl)C2 ZINC000703558202 809662991 /nfs/dbraw/zinc/66/29/91/809662991.db2.gz WSQUGDWJQSCSRP-IINYFYTJSA-N 1 0 266.772 2.087 20 10 CECDRO Cc1cc(C)c(C[NH2+][C@@H]2CCN3C(=O)CC[C@@H]3C2)c(O)c1 ZINC001172163234 815326169 /nfs/dbraw/zinc/32/61/69/815326169.db2.gz UUAORNWVWBIZHC-ZIAGYGMSSA-N 1 0 288.391 2.252 20 10 CECDRO CON1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000709288816 809959308 /nfs/dbraw/zinc/95/93/08/809959308.db2.gz YXMNNTYIMUOIRZ-LLVKDONJSA-N 1 0 250.342 2.069 20 10 CECDRO CCc1cccc(C[NH2+]CCOCC(F)F)c1O ZINC000709423557 809961336 /nfs/dbraw/zinc/96/13/36/809961336.db2.gz NVELWMXQAZTHHF-UHFFFAOYSA-N 1 0 259.296 2.326 20 10 CECDRO CCc1cccc(C[NH2+]CC[C@H](C)CCO)c1O ZINC000709418261 809961345 /nfs/dbraw/zinc/96/13/45/809961345.db2.gz QRJCFMZPCKZELI-LBPRGKRZSA-N 1 0 251.370 2.453 20 10 CECDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172181512 815330883 /nfs/dbraw/zinc/33/08/83/815330883.db2.gz XRONDFUNAXOQEG-GJZGRUSLSA-N 1 0 288.391 2.368 20 10 CECDRO Cc1cccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1O ZINC000710333151 809987410 /nfs/dbraw/zinc/98/74/10/809987410.db2.gz AAMLXQSRDORJOQ-UHFFFAOYSA-N 1 0 297.420 2.005 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](O)C23CCOCC3)cc1C ZINC000923017835 810055539 /nfs/dbraw/zinc/05/55/39/810055539.db2.gz BZIRPOJXRDHCDQ-JKSUJKDBSA-N 1 0 291.391 2.029 20 10 CECDRO CC(C)N(CCC[NH3+])c1ccc(Cn2ccnc2)cc1 ZINC001164127545 810299187 /nfs/dbraw/zinc/29/91/87/810299187.db2.gz YCKWXRNBCPZSCU-UHFFFAOYSA-N 1 0 272.396 2.495 20 10 CECDRO COc1cc(C[NH2+]C[C@@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000824557906 810702326 /nfs/dbraw/zinc/70/23/26/810702326.db2.gz MEUWXBIIDYQCKV-SNVBAGLBSA-N 1 0 267.369 2.169 20 10 CECDRO CC(C)OCC[C@@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC001172435569 815414362 /nfs/dbraw/zinc/41/43/62/815414362.db2.gz HKRZCMPNKWKYFF-LLVKDONJSA-N 1 0 253.342 2.391 20 10 CECDRO COc1cc(Cl)cc(CN2CC[NH2+][C@@H](C)[C@@H]2C)c1O ZINC000379436602 811033261 /nfs/dbraw/zinc/03/32/61/811033261.db2.gz NIWQTQJGRBGFBX-UWVGGRQHSA-N 1 0 284.787 2.236 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CCC[C@@H]1C[NH3+] ZINC001205995794 811293814 /nfs/dbraw/zinc/29/38/14/811293814.db2.gz QLQJHTKIOMVPAW-VXGBXAGGSA-N 1 0 266.360 2.338 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168985942 811312705 /nfs/dbraw/zinc/31/27/05/811312705.db2.gz VSZINGOOXYCEAM-ZIAGYGMSSA-N 1 0 277.368 2.288 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(C)=O)cc1C ZINC001044891063 811551746 /nfs/dbraw/zinc/55/17/46/811551746.db2.gz HSOUCFARZCLWDL-HNNXBMFYSA-N 1 0 276.380 2.104 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)CC[S@@](C)=O)c1O ZINC000691499882 811959175 /nfs/dbraw/zinc/95/91/75/811959175.db2.gz JQYOKBSQRSUODL-ADLMAVQZSA-N 1 0 269.410 2.201 20 10 CECDRO CCc1cccc(C[NH2+]C[C@](C)(O)C(C)C)c1O ZINC000691494838 811961152 /nfs/dbraw/zinc/96/11/52/811961152.db2.gz PDZPJYLJPMDEDA-HNNXBMFYSA-N 1 0 251.370 2.451 20 10 CECDRO COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001172778325 815517906 /nfs/dbraw/zinc/51/79/06/815517906.db2.gz ULFWYGVNWNQFEY-STQMWFEESA-N 1 0 293.363 2.309 20 10 CECDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001172778321 815517934 /nfs/dbraw/zinc/51/79/34/815517934.db2.gz ULFWYGVNWNQFEY-QWHCGFSZSA-N 1 0 293.363 2.309 20 10 CECDRO CC[C@@H]1C[C@@H]([NH2+]CCc2ccc(O)c(O)c2)CCO1 ZINC001170171681 812333653 /nfs/dbraw/zinc/33/36/53/812333653.db2.gz YXPZLHGOONKMEN-QWHCGFSZSA-N 1 0 265.353 2.188 20 10 CECDRO C[C@H]([NH3+])c1ccc(NCC(=O)c2ccc(O)c(O)c2)cc1 ZINC001170322685 812386892 /nfs/dbraw/zinc/38/68/92/812386892.db2.gz LYIQRKPXUOJUPG-JTQLQIEISA-N 1 0 286.331 2.412 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1 ZINC001170559624 812668112 /nfs/dbraw/zinc/66/81/12/812668112.db2.gz CJGMKNLEZMCNFC-DGCLKSJQSA-N 1 0 263.337 2.166 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc2ccccc2c1O ZINC000386973548 813196381 /nfs/dbraw/zinc/19/63/81/813196381.db2.gz RDFTXUIWGBPXIL-DGCLKSJQSA-N 1 0 284.359 2.427 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCCOC2)c1 ZINC000389138094 813248092 /nfs/dbraw/zinc/24/80/92/813248092.db2.gz XTIZKLJBCKMPHQ-NEPJUHHUSA-N 1 0 265.353 2.306 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC(=O)N(CC)C2)cc1 ZINC000391475146 813285912 /nfs/dbraw/zinc/28/59/12/813285912.db2.gz OAYJOYJAGWTNIC-HNNXBMFYSA-N 1 0 289.423 2.243 20 10 CECDRO C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(F)cc1[O-] ZINC000392222451 813299547 /nfs/dbraw/zinc/29/95/47/813299547.db2.gz LLYHTAXZJJMTIV-LLVKDONJSA-N 1 0 264.344 2.444 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)C(C)(C)O ZINC000394023792 813335181 /nfs/dbraw/zinc/33/51/81/813335181.db2.gz XWDJTEJOGYLMDM-CYBMUJFWSA-N 1 0 253.342 2.040 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CS[C@H](C)C2)c1 ZINC000397962968 813650261 /nfs/dbraw/zinc/65/02/61/813650261.db2.gz ISFXLPLUKNATKP-MWLCHTKSSA-N 1 0 253.367 2.384 20 10 CECDRO COc1cc(C[NH2+]Cc2cc(OC)ccc2O)sn1 ZINC000399102671 813695535 /nfs/dbraw/zinc/69/55/35/813695535.db2.gz FXWZEHLIKJWKCD-UHFFFAOYSA-N 1 0 280.349 2.156 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000689583656 813967876 /nfs/dbraw/zinc/96/78/76/813967876.db2.gz DFMOKKMMUIRLGL-LLVKDONJSA-N 1 0 266.341 2.049 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144503855 814092255 /nfs/dbraw/zinc/09/22/55/814092255.db2.gz GFDAAOLEUMOMCC-SNVBAGLBSA-N 1 0 251.326 2.425 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001144509239 814097781 /nfs/dbraw/zinc/09/77/81/814097781.db2.gz QALVLRCGGWZLPL-ZETCQYMHSA-N 1 0 277.242 2.188 20 10 CECDRO C[N@H+](Cc1ccsc1)Cc1c(O)cc(O)cc1O ZINC001144514603 814097961 /nfs/dbraw/zinc/09/79/61/814097961.db2.gz LUKOVDYBYLSOFM-UHFFFAOYSA-N 1 0 265.334 2.497 20 10 CECDRO C[N@H+](CCOc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144509138 814098808 /nfs/dbraw/zinc/09/88/08/814098808.db2.gz MDVPLAYXLFPMCE-UHFFFAOYSA-N 1 0 289.331 2.314 20 10 CECDRO Oc1ccccc1C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173122145 815586513 /nfs/dbraw/zinc/58/65/13/815586513.db2.gz UEIXXMSGWBDJSI-LLVKDONJSA-N 1 0 260.362 2.496 20 10 CECDRO CC[N@H+](CCn1cccn1)Cc1c([O-])cccc1F ZINC001137839018 815695636 /nfs/dbraw/zinc/69/56/36/815695636.db2.gz OHICLJYJDOOKIF-UHFFFAOYSA-N 1 0 263.316 2.250 20 10 CECDRO C[N@H+](Cc1ccc(N2CCCC2)cc1)Cc1cnc(N)nc1 ZINC001138165630 815741323 /nfs/dbraw/zinc/74/13/23/815741323.db2.gz UPUSPULKDHAXPZ-UHFFFAOYSA-N 1 0 297.406 2.291 20 10 CECDRO CN1CCCc2cc(C[N@H+](C)C3(C)COC3)ccc21 ZINC001138355756 815775500 /nfs/dbraw/zinc/77/55/00/815775500.db2.gz BUEFXFHJAQYOJF-UHFFFAOYSA-N 1 0 260.381 2.290 20 10 CECDRO Cc1n[nH]c(C)c1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001139100630 815961032 /nfs/dbraw/zinc/96/10/32/815961032.db2.gz RBMXPNUWPIUASI-UHFFFAOYSA-N 1 0 287.363 2.386 20 10 CECDRO COC(=O)c1cccc(Nc2cc[nH+]cc2C)c1O ZINC001174539136 816026178 /nfs/dbraw/zinc/02/61/78/816026178.db2.gz FOUFPKZWXLYBRG-UHFFFAOYSA-N 1 0 258.277 2.048 20 10 CECDRO CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N(C)C)c(C)c3)C[C@@H]2C1 ZINC001139674117 816077408 /nfs/dbraw/zinc/07/74/08/816077408.db2.gz OHIXYTLCZAFAHH-CALCHBBNSA-N 1 0 287.451 2.445 20 10 CECDRO C[NH+]1CC2(C1)CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139686270 816083547 /nfs/dbraw/zinc/08/35/47/816083547.db2.gz RTHZHWYIUBJUND-UHFFFAOYSA-N 1 0 282.334 2.198 20 10 CECDRO CC1(C[NH3+])CN(Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001206737868 816086820 /nfs/dbraw/zinc/08/68/20/816086820.db2.gz UCTGKDNIIMNMQO-UHFFFAOYSA-N 1 0 290.285 2.071 20 10 CECDRO O=C1CCC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3O)C2)N1 ZINC001140053778 816177709 /nfs/dbraw/zinc/17/77/09/816177709.db2.gz CWPQVARGYNSGST-MRXNPFEDSA-N 1 0 292.354 2.166 20 10 CECDRO CCOC(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140059995 816181032 /nfs/dbraw/zinc/18/10/32/816181032.db2.gz FSZVGUGIOGGZED-UHFFFAOYSA-N 1 0 296.342 2.242 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CCN(c2cccnc2)CC1 ZINC001140057667 816181082 /nfs/dbraw/zinc/18/10/82/816181082.db2.gz JMHBQZRTLAGSTD-UHFFFAOYSA-N 1 0 287.338 2.249 20 10 CECDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1O)C2 ZINC001140058953 816181554 /nfs/dbraw/zinc/18/15/54/816181554.db2.gz QSUZFNLWYSOAHQ-MJVIPROJSA-N 1 0 293.338 2.305 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCO[C@]3(CCOC3)C2)c1O ZINC001140178633 816204399 /nfs/dbraw/zinc/20/43/99/816204399.db2.gz RPWXMWKEGFZURS-MRXNPFEDSA-N 1 0 277.364 2.000 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](Oc3cnccn3)C2)c1O ZINC001140184735 816205304 /nfs/dbraw/zinc/20/53/04/816205304.db2.gz GHBATNVGBARTTQ-AWEZNQCLSA-N 1 0 299.374 2.452 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCN(c3ncccn3)CC2)c1O ZINC001140181528 816205314 /nfs/dbraw/zinc/20/53/14/816205314.db2.gz WEBANEXWVLCJFR-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO COc1ncnc2c1CC[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140182354 816205502 /nfs/dbraw/zinc/20/55/02/816205502.db2.gz QEGSSSCFJURGOD-UHFFFAOYSA-N 1 0 299.374 2.366 20 10 CECDRO OC1CCN(c2ccc(C[NH+]3CC=CC3)cc2)CC1 ZINC001140283181 816226179 /nfs/dbraw/zinc/22/61/79/816226179.db2.gz OCUSFJJRFRHQES-UHFFFAOYSA-N 1 0 258.365 2.020 20 10 CECDRO CC[NH+]1CCN(c2ccc(CN3CC(F)(F)C3)cc2)CC1 ZINC001140300417 816227386 /nfs/dbraw/zinc/22/73/86/816227386.db2.gz OVGMCQFKURFRRD-UHFFFAOYSA-N 1 0 295.377 2.279 20 10 CECDRO CC[N@H+](CCN1CCOCC1)Cc1c(O)cccc1Cl ZINC001140341185 816238912 /nfs/dbraw/zinc/23/89/12/816238912.db2.gz BAUWZYSUHXZJGN-UHFFFAOYSA-N 1 0 298.814 2.200 20 10 CECDRO CC[N@H+](CCn1cccn1)Cc1c([O-])cc(F)cc1F ZINC001140583599 816292511 /nfs/dbraw/zinc/29/25/11/816292511.db2.gz NASKOCBIKUVGMK-UHFFFAOYSA-N 1 0 281.306 2.389 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC001140742240 816337990 /nfs/dbraw/zinc/33/79/90/816337990.db2.gz KZMQCXRXKJCIPL-WFASDCNBSA-N 1 0 277.364 2.407 20 10 CECDRO Cc1c(O)ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1O ZINC001140745313 816341008 /nfs/dbraw/zinc/34/10/08/816341008.db2.gz FIGRNQKLOQGQBK-AWEZNQCLSA-N 1 0 276.380 2.076 20 10 CECDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140745590 816341068 /nfs/dbraw/zinc/34/10/68/816341068.db2.gz LYTRYRJJABFKOG-CYBMUJFWSA-N 1 0 265.353 2.407 20 10 CECDRO CO[C@@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140748700 816342790 /nfs/dbraw/zinc/34/27/90/816342790.db2.gz IHHHPALHYIVPKF-CYBMUJFWSA-N 1 0 265.353 2.407 20 10 CECDRO Cc1c(O)ccc(C[N@H+](C)CCc2cccnc2)c1O ZINC001140748993 816343143 /nfs/dbraw/zinc/34/31/43/816343143.db2.gz NDVLFRQFAXLCSI-UHFFFAOYSA-N 1 0 272.348 2.476 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CCOC)c(O)c1 ZINC001140851846 816382584 /nfs/dbraw/zinc/38/25/84/816382584.db2.gz RGVPBSHURUTECG-UHFFFAOYSA-N 1 0 266.385 2.317 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)[C@H]1C ZINC001140950732 816424006 /nfs/dbraw/zinc/42/40/06/816424006.db2.gz GAEMKPYIYXFUBJ-JSGCOSHPSA-N 1 0 277.364 2.474 20 10 CECDRO CC[NH+](CC)C[C@@H]1CN(Cc2ccc(C)cc2O)CCO1 ZINC001140954209 816424493 /nfs/dbraw/zinc/42/44/93/816424493.db2.gz MYXFLANSOZNKNA-MRXNPFEDSA-N 1 0 292.423 2.243 20 10 CECDRO Cc1ccc(C[NH+]2CCC3(CCOC3=O)CC2)c(O)c1 ZINC001140958121 816425415 /nfs/dbraw/zinc/42/54/15/816425415.db2.gz RDPFKVWIEBUWHE-UHFFFAOYSA-N 1 0 275.348 2.230 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c(OC)c1 ZINC001141026648 816449348 /nfs/dbraw/zinc/44/93/48/816449348.db2.gz YGTWJALJUGMHCW-BZNIZROVSA-N 1 0 293.363 2.020 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c(OC)c1 ZINC001141031817 816453115 /nfs/dbraw/zinc/45/31/15/816453115.db2.gz MVMXCGOICCCRFQ-RISCZKNCSA-N 1 0 295.379 2.002 20 10 CECDRO CN1CCOc2cc(CN3CCC([NH+](C)C)CC3)ccc21 ZINC001141139402 816484091 /nfs/dbraw/zinc/48/40/91/816484091.db2.gz RILJQLTXZMSFHH-UHFFFAOYSA-N 1 0 289.423 2.041 20 10 CECDRO CN1CCOc2cc(C[N@H+](C)CC3CCOCC3)ccc21 ZINC001141141127 816486026 /nfs/dbraw/zinc/48/60/26/816486026.db2.gz UJXXBSVLJAPTIL-UHFFFAOYSA-N 1 0 290.407 2.374 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CCCN(c3cccnc3)CC2)c1 ZINC001141162030 816491955 /nfs/dbraw/zinc/49/19/55/816491955.db2.gz JFGITIUCACZAQJ-UHFFFAOYSA-N 1 0 299.374 2.205 20 10 CECDRO CCOC(=O)[C@]1(C)CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141161185 816492253 /nfs/dbraw/zinc/49/22/53/816492253.db2.gz OCRCOEQBWICAJI-MRXNPFEDSA-N 1 0 293.363 2.263 20 10 CECDRO CCNC(=O)C[N@H+](C)Cc1ccc(N(C)C)c2ccccc12 ZINC001204234336 816819838 /nfs/dbraw/zinc/81/98/38/816819838.db2.gz YMYZOUGKTDDPLQ-UHFFFAOYSA-N 1 0 299.418 2.474 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCCO2)c1 ZINC000042814608 362121921 /nfs/dbraw/zinc/12/19/21/362121921.db2.gz OMIOBCDNGYYNRB-ZDUSSCGKSA-N 1 0 251.326 2.060 20 10 CECDRO COCCOCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035052787 343421073 /nfs/dbraw/zinc/42/10/73/343421073.db2.gz AQZHECKTFYMENQ-UHFFFAOYSA-N 1 0 267.369 2.146 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H](OC)C(C)C)c1O ZINC000072924437 343815109 /nfs/dbraw/zinc/81/51/09/343815109.db2.gz CHAWRVVRMLUNQW-CYBMUJFWSA-N 1 0 253.342 2.161 20 10 CECDRO CCOCC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000076851348 343901065 /nfs/dbraw/zinc/90/10/65/343901065.db2.gz HJPODUBTNOOOLW-UHFFFAOYSA-N 1 0 278.396 2.244 20 10 CECDRO COc1cccc(C[NH2+]C[C@](C)(O)c2ccsc2)c1O ZINC000077460797 343920819 /nfs/dbraw/zinc/92/08/19/343920819.db2.gz WUJNVJPTBKDBBG-HNNXBMFYSA-N 1 0 293.388 2.460 20 10 CECDRO CCCOc1ccc(C[N@H+](C)CC(C)(C)O)c(O)c1 ZINC000093414659 344223045 /nfs/dbraw/zinc/22/30/45/344223045.db2.gz XCXILYAHWNQOIP-UHFFFAOYSA-N 1 0 267.369 2.384 20 10 CECDRO C[N@H+](Cc1cc(Br)ccc1O)CC(C)(C)O ZINC000093414369 344223405 /nfs/dbraw/zinc/22/34/05/344223405.db2.gz DMNJUHBCESCWAC-UHFFFAOYSA-N 1 0 288.185 2.357 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCN(C)CC2(C)C)c1O ZINC000093457300 344224513 /nfs/dbraw/zinc/22/45/13/344224513.db2.gz AHOAFFNAXBDXCF-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(C)(C)O)c1 ZINC000271818706 344667443 /nfs/dbraw/zinc/66/74/43/344667443.db2.gz NLLUBSFCRRTFNZ-SNVBAGLBSA-N 1 0 253.342 2.212 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)C2)cc1F ZINC000129463268 365860336 /nfs/dbraw/zinc/86/03/36/365860336.db2.gz UDCKNEMCKPIZEW-HNNXBMFYSA-N 1 0 266.360 2.239 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1C ZINC000377769271 539749213 /nfs/dbraw/zinc/74/92/13/539749213.db2.gz AFVQYFPQSHGHCE-CYBMUJFWSA-N 1 0 271.364 2.374 20 10 CECDRO COC[C@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000075643586 363479452 /nfs/dbraw/zinc/47/94/52/363479452.db2.gz OVSHETRLXUDSEI-AWEZNQCLSA-N 1 0 278.396 2.242 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1O ZINC000077204633 363546668 /nfs/dbraw/zinc/54/66/68/363546668.db2.gz VBCLNJXEGIFHHK-YPMHNXCESA-N 1 0 265.353 2.042 20 10 CECDRO CCOc1cccc(C[NH2+]C(C)(C)CCO)c1O ZINC000135227979 366412486 /nfs/dbraw/zinc/41/24/86/366412486.db2.gz AYMUCIFPUNMGRA-UHFFFAOYSA-N 1 0 253.342 2.042 20 10 CECDRO NC(=O)c1cccc(CC[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000296847782 283383180 /nfs/dbraw/zinc/38/31/80/283383180.db2.gz NBZQOARVIHZRSP-HNNXBMFYSA-N 1 0 296.370 2.311 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000092756121 364104444 /nfs/dbraw/zinc/10/44/44/364104444.db2.gz HKWRQUBAWSLPHN-KRWDZBQOSA-N 1 0 273.424 2.423 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)c2nnc3ccccn32)c1O ZINC000237419158 370719655 /nfs/dbraw/zinc/71/96/55/370719655.db2.gz MAUGGFQVKOSSEN-LLVKDONJSA-N 1 0 298.346 2.294 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2CCOCC2)c1 ZINC000104190172 364684044 /nfs/dbraw/zinc/68/40/44/364684044.db2.gz QDWOWQOPYJDJCA-LLVKDONJSA-N 1 0 265.353 2.478 20 10 CECDRO CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](C)O1 ZINC000111167883 364725158 /nfs/dbraw/zinc/72/51/58/364725158.db2.gz KAVPXYZNWDPPPX-CMPLNLGQSA-N 1 0 279.336 2.120 20 10 CECDRO COCCOC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000180201038 368372031 /nfs/dbraw/zinc/37/20/31/368372031.db2.gz YVQNTWSFILCUKC-UHFFFAOYSA-N 1 0 279.380 2.328 20 10 CECDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1=O ZINC000179895937 368357103 /nfs/dbraw/zinc/35/71/03/368357103.db2.gz SEODMLLVZASLGJ-AAEUAGOBSA-N 1 0 262.353 2.052 20 10 CECDRO COc1cc(O)c(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1OC ZINC000180618215 368389482 /nfs/dbraw/zinc/38/94/82/368389482.db2.gz KCAGWZYSMZFMBA-OAHLLOKOSA-N 1 0 297.395 2.248 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192026924 369765494 /nfs/dbraw/zinc/76/54/94/369765494.db2.gz DFRKFSOZBAYXEJ-NEPJUHHUSA-N 1 0 264.369 2.114 20 10 CECDRO [NH3+][C@H]1CC=C(C(=O)N2CCc3c2cccc3Cl)C1 ZINC000637999752 370228919 /nfs/dbraw/zinc/22/89/19/370228919.db2.gz IQPPLOQJUAZZGE-JTQLQIEISA-N 1 0 262.740 2.277 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)C(F)(F)F ZINC000226646654 370349990 /nfs/dbraw/zinc/34/99/90/370349990.db2.gz YJJLDLGQHFUNJQ-VIFPVBQESA-N 1 0 269.650 2.058 20 10 CECDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000267285085 372068419 /nfs/dbraw/zinc/06/84/19/372068419.db2.gz ARKAWQZTMHRCTE-KGLIPLIRSA-N 1 0 291.395 2.064 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H]2[C@@H](C)O)c1O ZINC000267473887 372074873 /nfs/dbraw/zinc/07/48/73/372074873.db2.gz ZTKPVPCNOKJBIP-ABAIWWIYSA-N 1 0 295.354 2.469 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCCc3cn[nH]c32)c1O ZINC000268871102 372265804 /nfs/dbraw/zinc/26/58/04/372265804.db2.gz VFXHCNQTZKLAEJ-LBPRGKRZSA-N 1 0 273.336 2.291 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc(N(C)C)nc2)cc1 ZINC000269339300 372423234 /nfs/dbraw/zinc/42/32/34/372423234.db2.gz FQYRIIJRFFEPNW-UHFFFAOYSA-N 1 0 299.422 2.241 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000271795663 373201140 /nfs/dbraw/zinc/20/11/40/373201140.db2.gz KAJCYJUTOKVKDB-UHFFFAOYSA-N 1 0 277.364 2.403 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CC2(C)C)cc1OC ZINC000272082941 373297685 /nfs/dbraw/zinc/29/76/85/373297685.db2.gz LSVDJUOHERAICG-ZDUSSCGKSA-N 1 0 251.326 2.298 20 10 CECDRO NC(=O)CCC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000272257905 373390214 /nfs/dbraw/zinc/39/02/14/373390214.db2.gz JOAGXCZWQJSVHY-UHFFFAOYSA-N 1 0 280.343 2.009 20 10 CECDRO COc1cccc(C[NH+]2CCC(C)(OC)CC2)c1O ZINC000272379257 373456637 /nfs/dbraw/zinc/45/66/37/373456637.db2.gz RCXMQYROADHFNB-UHFFFAOYSA-N 1 0 265.353 2.402 20 10 CECDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000272611760 373580397 /nfs/dbraw/zinc/58/03/97/373580397.db2.gz KMDFKDDCTRXLOP-SMDDNHRTSA-N 1 0 264.344 2.057 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCOC[C@H](C)C2)c1O ZINC000370187144 373600597 /nfs/dbraw/zinc/60/05/97/373600597.db2.gz WAQPAKWXCOHZQD-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)c(O)c1C ZINC000273379303 373753614 /nfs/dbraw/zinc/75/36/14/373753614.db2.gz HVOUXOVEEPISAC-ZFWWWQNUSA-N 1 0 292.423 2.380 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c(O)c1C ZINC000273499681 373759381 /nfs/dbraw/zinc/75/93/81/373759381.db2.gz PTWZNTVAUBHNOX-WFASDCNBSA-N 1 0 289.379 2.127 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273516863 373762588 /nfs/dbraw/zinc/76/25/88/373762588.db2.gz SSHFQHLKPVQLAD-NEPJUHHUSA-N 1 0 292.379 2.061 20 10 CECDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273581533 373765279 /nfs/dbraw/zinc/76/52/79/373765279.db2.gz MTLGGLRZRUQPDU-CZUORRHYSA-N 1 0 281.396 2.447 20 10 CECDRO CN(C)c1ccc(C2=CC[N@H+](Cc3ccnn3C)C2)cc1 ZINC000374778879 374629697 /nfs/dbraw/zinc/62/96/97/374629697.db2.gz JTVNGVFALSAAGS-UHFFFAOYSA-N 1 0 282.391 2.385 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@]23CCOC3)c1O ZINC000375272135 374648503 /nfs/dbraw/zinc/64/85/03/374648503.db2.gz KRAHWQHVRKLGNZ-MRXNPFEDSA-N 1 0 293.338 2.489 20 10 CECDRO CCOCc1cc(C[NH2+]CCCCCO)ccc1OC ZINC000279839403 375007698 /nfs/dbraw/zinc/00/76/98/375007698.db2.gz CSIFMWCXRAKWHB-UHFFFAOYSA-N 1 0 281.396 2.484 20 10 CECDRO COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000281726197 375394754 /nfs/dbraw/zinc/39/47/54/375394754.db2.gz UVMRRJBNWIPSIL-OLZOCXBDSA-N 1 0 267.369 2.057 20 10 CECDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000281158306 375358752 /nfs/dbraw/zinc/35/87/52/375358752.db2.gz PMDNNDCCQPNDPF-OAHLLOKOSA-N 1 0 296.798 2.312 20 10 CECDRO C[C@@H]([NH2+]CCF)c1ccc(N2CCOCC2)c(F)c1 ZINC000281204304 375362284 /nfs/dbraw/zinc/36/22/84/375362284.db2.gz YHNHWIXWWBWURC-LLVKDONJSA-N 1 0 270.323 2.282 20 10 CECDRO CCCC[N@H+](Cc1ccccc1O)[C@H]1CCN(C)C1=O ZINC000282533525 375510130 /nfs/dbraw/zinc/51/01/30/375510130.db2.gz VIBAEMCZHPYXCG-AWEZNQCLSA-N 1 0 276.380 2.225 20 10 CECDRO COC[C@@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1O)OC ZINC000285115155 375836271 /nfs/dbraw/zinc/83/62/71/375836271.db2.gz KVYFNQKFLXAZEB-CHWSQXEVSA-N 1 0 267.369 2.321 20 10 CECDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000285470134 375838706 /nfs/dbraw/zinc/83/87/06/375838706.db2.gz KMOWRLJADIOCAK-CZUORRHYSA-N 1 0 292.448 2.364 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCC2(O)CCOCC2)cc1C ZINC000285655881 375841979 /nfs/dbraw/zinc/84/19/79/375841979.db2.gz YRPPCCZHADDHGG-UHFFFAOYSA-N 1 0 279.380 2.030 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000287128172 376156415 /nfs/dbraw/zinc/15/64/15/376156415.db2.gz RNOVYVBSQJIANP-QWHCGFSZSA-N 1 0 297.420 2.176 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000287166522 376163972 /nfs/dbraw/zinc/16/39/72/376163972.db2.gz UHBWVHZTIOZGKJ-CHWSQXEVSA-N 1 0 297.420 2.176 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@H]1COc3ccccc31)OCO2 ZINC000288434354 376377439 /nfs/dbraw/zinc/37/74/39/376377439.db2.gz BUHSOLFETWJCML-LBPRGKRZSA-N 1 0 299.326 2.387 20 10 CECDRO CCC[NH2+][C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000294775273 378018781 /nfs/dbraw/zinc/01/87/81/378018781.db2.gz NGVGSNFSKKFPIP-CYBMUJFWSA-N 1 0 277.412 2.099 20 10 CECDRO COC[C@@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000295094329 378042010 /nfs/dbraw/zinc/04/20/10/378042010.db2.gz JRIIQRZIJDRTOU-INIZCTEOSA-N 1 0 295.379 2.268 20 10 CECDRO CCn1cc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)cn1 ZINC000294862207 378025554 /nfs/dbraw/zinc/02/55/54/378025554.db2.gz OKHPFIFHFVLRHN-SNVBAGLBSA-N 1 0 289.335 2.188 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1 ZINC000228089679 394474042 /nfs/dbraw/zinc/47/40/42/394474042.db2.gz LQJBFODDOCXRIV-NEPJUHHUSA-N 1 0 292.379 2.062 20 10 CECDRO CCCOc1ccc(C[NH2+][C@]2(C)CCOC2)c(O)c1 ZINC000120150601 394775956 /nfs/dbraw/zinc/77/59/56/394775956.db2.gz YHPZWCMYYGFZAB-OAHLLOKOSA-N 1 0 265.353 2.450 20 10 CECDRO CCN(CC)C(=O)C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000120412919 394778313 /nfs/dbraw/zinc/77/83/13/394778313.db2.gz JWTANUXQNLILII-UHFFFAOYSA-N 1 0 278.396 2.309 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CO)C2)c1O ZINC000122844503 394818140 /nfs/dbraw/zinc/81/81/40/394818140.db2.gz SIWSHKZVAIZWDO-JTQLQIEISA-N 1 0 283.755 2.062 20 10 CECDRO CCOc1cccc(C[N@H+](C)C[C@H]2CCCO2)c1O ZINC000132964861 394942089 /nfs/dbraw/zinc/94/20/89/394942089.db2.gz ZQEFJYNVYMFWFS-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)cc1OC ZINC000373234108 395056636 /nfs/dbraw/zinc/05/66/36/395056636.db2.gz UYHVLIVEBMTBSE-SMDDNHRTSA-N 1 0 293.363 2.020 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@@]2(CCOC2)O1 ZINC000373498658 395061332 /nfs/dbraw/zinc/06/13/32/395061332.db2.gz ZYPMJJNGZUFKNJ-DOTOQJQBSA-N 1 0 291.391 2.471 20 10 CECDRO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1O ZINC000374282963 395078904 /nfs/dbraw/zinc/07/89/04/395078904.db2.gz KCOIFDHMTJSNGG-UBHSHLNASA-N 1 0 274.364 2.011 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC[S@@](C)=O)c1 ZINC000168840162 395088949 /nfs/dbraw/zinc/08/89/49/395088949.db2.gz RCYJNUVGLHCXJD-ADWYPQAOSA-N 1 0 285.409 2.209 20 10 CECDRO Cc1cccc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1O ZINC000372127403 395035261 /nfs/dbraw/zinc/03/52/61/395035261.db2.gz BJRAQHPQHXEBOR-UHFFFAOYSA-N 1 0 291.391 2.472 20 10 CECDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000174137472 395120373 /nfs/dbraw/zinc/12/03/73/395120373.db2.gz ZUGLWJSAXKVUPF-GDBMZVCRSA-N 1 0 293.363 2.414 20 10 CECDRO CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)[NH+](C)C ZINC000178006956 395159851 /nfs/dbraw/zinc/15/98/51/395159851.db2.gz LHVWFRRBSXEEAZ-MRXNPFEDSA-N 1 0 291.439 2.489 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)Cc2cccnc2)c1 ZINC000182031358 395231444 /nfs/dbraw/zinc/23/14/44/395231444.db2.gz BJZWGGGPVXVLJJ-UHFFFAOYSA-N 1 0 258.321 2.428 20 10 CECDRO COC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293539614 395239162 /nfs/dbraw/zinc/23/91/62/395239162.db2.gz QDOKVDOGLFBFRI-UHFFFAOYSA-N 1 0 290.407 2.446 20 10 CECDRO CC1([C@H]2CCC[N@H+](Cc3ccccc3O)C2)OCCO1 ZINC000183240015 395254553 /nfs/dbraw/zinc/25/45/53/395254553.db2.gz CNZHFHDKOXGWLI-AWEZNQCLSA-N 1 0 277.364 2.367 20 10 CECDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N1CCOCC1 ZINC000183395154 395256723 /nfs/dbraw/zinc/25/67/23/395256723.db2.gz NVQMOTGOVJXQCD-GOEBONIOSA-N 1 0 292.423 2.400 20 10 CECDRO Cc1cc(Cl)cc(C[NH+]2CCC(C(N)=O)CC2)c1O ZINC000183468290 395258126 /nfs/dbraw/zinc/25/81/26/395258126.db2.gz MYWJYZWDFSNSAZ-UHFFFAOYSA-N 1 0 282.771 2.051 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183565279 395259439 /nfs/dbraw/zinc/25/94/39/395259439.db2.gz NAKMHBUUNRDXIB-RYUDHWBXSA-N 1 0 262.353 2.054 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](O)CC2)c1O ZINC000294132917 395267061 /nfs/dbraw/zinc/26/70/61/395267061.db2.gz UPNHAGDTXXOAHJ-GFCCVEGCSA-N 1 0 285.771 2.401 20 10 CECDRO CCC[N@H+](CC)CCNC(=O)N(C)Cc1ccccc1O ZINC000175777800 400288486 /nfs/dbraw/zinc/28/84/86/400288486.db2.gz LVNKKIFBGFKLLI-UHFFFAOYSA-N 1 0 293.411 2.266 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCO2)c1O ZINC000019963568 170945325 /nfs/dbraw/zinc/94/53/25/170945325.db2.gz MLYHXVQHBVONQZ-LBPRGKRZSA-N 1 0 251.326 2.060 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](c2ccco2)N(C)C)c1 ZINC000020122465 171002843 /nfs/dbraw/zinc/00/28/43/171002843.db2.gz DYJMFHWHBLTQMF-AWEZNQCLSA-N 1 0 290.363 2.386 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1O ZINC000020206676 171071579 /nfs/dbraw/zinc/07/15/79/171071579.db2.gz BNZNDJYMDCJRCN-PWSUYJOCSA-N 1 0 251.326 2.058 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000020208963 171073360 /nfs/dbraw/zinc/07/33/60/171073360.db2.gz ASOCTUIMADJRAU-IINYFYTJSA-N 1 0 251.326 2.058 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)N(C)C)c1 ZINC000038088603 174101779 /nfs/dbraw/zinc/10/17/79/174101779.db2.gz DAXLOCSNWZXRGZ-WDEREUQCSA-N 1 0 252.358 2.002 20 10 CECDRO Cn1nccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000071138203 176036449 /nfs/dbraw/zinc/03/64/49/176036449.db2.gz AAPXESZVAJOFGB-UHFFFAOYSA-N 1 0 251.717 2.069 20 10 CECDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OC)c1O ZINC000091892779 260267173 /nfs/dbraw/zinc/26/71/73/260267173.db2.gz YRAAKVPYDRDUCY-CABCVRRESA-N 1 0 290.407 2.459 20 10 CECDRO CN(Cc1ccccc1O)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093677266 260300454 /nfs/dbraw/zinc/30/04/54/260300454.db2.gz ZOIDZHVDILTASX-LQDVMPOASA-N 1 0 288.391 2.271 20 10 CECDRO Cc1cc(C(=O)N2CCC[C@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC000158314467 261162906 /nfs/dbraw/zinc/16/29/06/261162906.db2.gz VYRKXOXJHNQQOS-AWEZNQCLSA-N 1 0 298.390 2.052 20 10 CECDRO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)c(C)n1-c1ccccn1 ZINC000158314613 261163536 /nfs/dbraw/zinc/16/35/36/261163536.db2.gz VYRKXOXJHNQQOS-CQSZACIVSA-N 1 0 298.390 2.052 20 10 CECDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(N2CCOCC2)c(F)c1 ZINC000160655180 261221730 /nfs/dbraw/zinc/22/17/30/261221730.db2.gz MPUJLWDDEMGGDQ-LBPRGKRZSA-N 1 0 296.386 2.084 20 10 CECDRO COc1cccc(C[NH2+][C@@H](CCO)c2ccco2)c1O ZINC000184504732 262021517 /nfs/dbraw/zinc/02/15/17/262021517.db2.gz 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/nfs/dbraw/zinc/30/51/23/262305123.db2.gz RMQAWVNUUXPQNI-WFASDCNBSA-N 1 0 267.369 2.139 20 10 CECDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297944513 263212898 /nfs/dbraw/zinc/21/28/98/263212898.db2.gz YIKIVNRQKBWCEV-XBFCOCLRSA-N 1 0 277.364 2.163 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@H+](C)[C@H]1CCCCNC1=O ZINC000368021858 267136243 /nfs/dbraw/zinc/13/62/43/267136243.db2.gz MPZOSYBBUWJYFH-KBPBESRZSA-N 1 0 276.380 2.444 20 10 CECDRO COc1cccc(C[N@@H+]2CCOCC[C@H]2C)c1O ZINC000368143005 267148492 /nfs/dbraw/zinc/14/84/92/267148492.db2.gz OSYZJXXWAYGYMM-LLVKDONJSA-N 1 0 251.326 2.012 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1cc(F)ccc1O ZINC000368329427 267163064 /nfs/dbraw/zinc/16/30/64/267163064.db2.gz DBUUUDXGXKJECY-FZMZJTMJSA-N 1 0 294.370 2.045 20 10 CECDRO CC(C)[C@@H](O)C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368393576 267167948 /nfs/dbraw/zinc/16/79/48/267167948.db2.gz PKGGYNNATUHNNI-KRWDZBQOSA-N 1 0 274.408 2.469 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000368886414 267212118 /nfs/dbraw/zinc/21/21/18/267212118.db2.gz CKJAXNXRBMXJBO-OAHLLOKOSA-N 1 0 263.337 2.012 20 10 CECDRO CCN1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000295819087 276152155 /nfs/dbraw/zinc/15/21/55/276152155.db2.gz DFJLXMAMRWTLOP-AWEZNQCLSA-N 1 0 260.381 2.453 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCc2nnc(N)cc2C1 ZINC000364627314 281025473 /nfs/dbraw/zinc/02/54/73/281025473.db2.gz DFLZKXPICYLVPF-CQSZACIVSA-N 1 0 284.363 2.104 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cn2cccn2)c1 ZINC000037155341 295168349 /nfs/dbraw/zinc/16/83/49/295168349.db2.gz PYSBDYJKCMVGAY-NEPJUHHUSA-N 1 0 275.352 2.337 20 10 CECDRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1cc(Cl)ccc1O ZINC000287308457 328250689 /nfs/dbraw/zinc/25/06/89/328250689.db2.gz LDKKQUCGYQMQTQ-SNVBAGLBSA-N 1 0 287.787 2.484 20 10 CECDRO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1O ZINC000295892565 328287812 /nfs/dbraw/zinc/28/78/12/328287812.db2.gz BMWVWNDNXYVROG-UHFFFAOYSA-N 1 0 298.358 2.488 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CCCO)c1 ZINC000294863027 327576425 /nfs/dbraw/zinc/57/64/25/327576425.db2.gz TZDRTLOOZMMCMP-NEPJUHHUSA-N 1 0 267.369 2.460 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)CC(C)(C)O)c1O ZINC000295006885 327592975 /nfs/dbraw/zinc/59/29/75/327592975.db2.gz JCGVNXQMAAGQLO-NSHDSACASA-N 1 0 267.369 2.430 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCN2C)C(C)(C)n1cncn1 ZINC000375071916 328999875 /nfs/dbraw/zinc/99/98/75/328999875.db2.gz WPTZEDLZBCUYMM-ZDUSSCGKSA-N 1 0 299.422 2.184 20 10 CECDRO Nc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000377304982 329010674 /nfs/dbraw/zinc/01/06/74/329010674.db2.gz PXGZPUKQJFNHCM-BXUZGUMPSA-N 1 0 259.353 2.082 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1C ZINC000377702060 329025654 /nfs/dbraw/zinc/02/56/54/329025654.db2.gz UAMHVTWTYRPWEO-WBVHZDCISA-N 1 0 291.391 2.389 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000378459981 329051467 /nfs/dbraw/zinc/05/14/67/329051467.db2.gz 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ZINC000269012585 520287091 /nfs/dbraw/zinc/28/70/91/520287091.db2.gz NYHKHHDNNQQBGS-ZIAGYGMSSA-N 1 0 287.411 2.474 20 10 CECDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)C[C@@]2(CCOC2)O1 ZINC000280290500 520476559 /nfs/dbraw/zinc/47/65/59/520476559.db2.gz ODZIACIKPBLMEM-MRXNPFEDSA-N 1 0 295.354 2.301 20 10 CECDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000236903398 520738428 /nfs/dbraw/zinc/73/84/28/520738428.db2.gz BLZXFMSSRAKNSE-OAHLLOKOSA-N 1 0 289.423 2.002 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@](F)(CO)C2)c1 ZINC000289771062 521144538 /nfs/dbraw/zinc/14/45/38/521144538.db2.gz KNIHIKFUSRQTKC-HNNXBMFYSA-N 1 0 283.343 2.087 20 10 CECDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000278797436 521315693 /nfs/dbraw/zinc/31/56/93/521315693.db2.gz XGJSYFLQOUQKRR-MRXNPFEDSA-N 1 0 293.363 2.248 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/C[NH+](C)C ZINC000264635983 521316205 /nfs/dbraw/zinc/31/62/05/521316205.db2.gz PBURGOSJEXURLR-BQYQJAHWSA-N 1 0 289.423 2.219 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCOC[C@H]2CCOC)c1O ZINC000291302232 521340030 /nfs/dbraw/zinc/34/00/30/521340030.db2.gz QSHFXBPUYCDLLQ-CQSZACIVSA-N 1 0 295.379 2.028 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2CCOC)c1O ZINC000291302231 521342455 /nfs/dbraw/zinc/34/24/55/521342455.db2.gz QSHFXBPUYCDLLQ-AWEZNQCLSA-N 1 0 295.379 2.028 20 10 CECDRO CCOC1CC(O)(C[NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000278589023 521652766 /nfs/dbraw/zinc/65/27/66/521652766.db2.gz YUGWFFDRBDESDV-VEAWUBTESA-N 1 0 279.380 2.281 20 10 CECDRO CCOC1CC(O)(C[NH2+][C@@H](CC)c2ccccc2O)C1 ZINC000278472664 521652979 /nfs/dbraw/zinc/65/29/79/521652979.db2.gz NYMCXCCLLQSHOV-UGWHAMFMSA-N 1 0 279.380 2.363 20 10 CECDRO CCNC(=O)C1(C[NH2+][C@H](C)c2ccccc2O)CCC1 ZINC000277382261 521733474 /nfs/dbraw/zinc/73/34/74/521733474.db2.gz XSMHOHADKGLQCN-GFCCVEGCSA-N 1 0 276.380 2.349 20 10 CECDRO C[NH2+]CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000043618681 521979767 /nfs/dbraw/zinc/97/97/67/521979767.db2.gz NRAISCLXLPTTBZ-UHFFFAOYSA-N 1 0 289.423 2.245 20 10 CECDRO CN(C)c1ccc(C[N@H+](CCCCO)C2CC2)cc1 ZINC000263988922 522172416 /nfs/dbraw/zinc/17/24/16/522172416.db2.gz AQADIDLPKJQVFH-UHFFFAOYSA-N 1 0 262.397 2.490 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)cc1 ZINC000292971046 522212818 /nfs/dbraw/zinc/21/28/18/522212818.db2.gz KFYXBUCBWLRYGM-KRWDZBQOSA-N 1 0 297.402 2.459 20 10 CECDRO COC(=O)c1coc(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000289409380 522369204 /nfs/dbraw/zinc/36/92/04/522369204.db2.gz HPGJDXJGHFIQAW-UHFFFAOYSA-N 1 0 291.303 2.070 20 10 CECDRO CC[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)OC ZINC000289795110 522547226 /nfs/dbraw/zinc/54/72/26/522547226.db2.gz LTLXLMMCJAXAAM-LBPRGKRZSA-N 1 0 254.349 2.406 20 10 CECDRO CC[C@H]([NH2+]C1CN(C(=O)OC)C1)c1ccc(C)cc1O ZINC000280083175 522564261 /nfs/dbraw/zinc/56/42/61/522564261.db2.gz LWIZDPLVAHIVQY-ZDUSSCGKSA-N 1 0 278.352 2.192 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc(C)cc1O ZINC000280263809 522691752 /nfs/dbraw/zinc/69/17/52/522691752.db2.gz XJJHEXLGXUUGKH-JSGCOSHPSA-N 1 0 274.368 2.422 20 10 CECDRO COC[C@H](O)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000071270401 522803716 /nfs/dbraw/zinc/80/37/16/522803716.db2.gz GHCGHRNHUBLDCS-WCQYABFASA-N 1 0 275.348 2.203 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268802953 522945566 /nfs/dbraw/zinc/94/55/66/522945566.db2.gz DZXNSTASFIFWFY-DZGCQCFKSA-N 1 0 275.396 2.024 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(C)cc1O ZINC000279990246 522946803 /nfs/dbraw/zinc/94/68/03/522946803.db2.gz FGUZHFRIMZETNF-KGLIPLIRSA-N 1 0 276.380 2.410 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000037997312 523968738 /nfs/dbraw/zinc/96/87/38/523968738.db2.gz RPWDULQMQHKLBK-ZDUSSCGKSA-N 1 0 278.396 2.398 20 10 CECDRO COc1ccc(C[NH2+]Cc2cc(F)ccc2O)c(OC)n1 ZINC000290790805 524073092 /nfs/dbraw/zinc/07/30/92/524073092.db2.gz DODMZHHWHSJVCY-UHFFFAOYSA-N 1 0 292.310 2.233 20 10 CECDRO Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)c(=O)n1C ZINC000279513633 524602727 /nfs/dbraw/zinc/60/27/27/524602727.db2.gz NTQARQARFLSHBD-LLVKDONJSA-N 1 0 290.338 2.389 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)c1 ZINC000036977559 525362156 /nfs/dbraw/zinc/36/21/56/525362156.db2.gz HJHIIHJGSTVFPU-DGCLKSJQSA-N 1 0 262.353 2.020 20 10 CECDRO CSC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000130987862 525714355 /nfs/dbraw/zinc/71/43/55/525714355.db2.gz PRLGXGITNRZAOD-LLVKDONJSA-N 1 0 281.377 2.448 20 10 CECDRO COc1cccc(C[NH2+]Cc2scnc2C)c1O ZINC000071212462 526025617 /nfs/dbraw/zinc/02/56/17/526025617.db2.gz SVVYNGMBLWBHEZ-UHFFFAOYSA-N 1 0 264.350 2.456 20 10 CECDRO Cc1nnc(CC[NH2+]Cc2cccc(C)c2O)s1 ZINC000291614013 526329219 /nfs/dbraw/zinc/32/92/19/526329219.db2.gz RDYIIEPIVWPZGT-UHFFFAOYSA-N 1 0 263.366 2.193 20 10 CECDRO CCC[N@H+](CC(=O)Nc1ccon1)Cc1ccccc1O ZINC000727830888 574456856 /nfs/dbraw/zinc/45/68/56/574456856.db2.gz TWETVHGONDUJAR-UHFFFAOYSA-N 1 0 289.335 2.231 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756731961 574822606 /nfs/dbraw/zinc/82/26/06/574822606.db2.gz DTKNRUWXINVLMI-STQMWFEESA-N 1 0 267.369 2.403 20 10 CECDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000741255401 574979398 /nfs/dbraw/zinc/97/93/98/574979398.db2.gz WKAGTJAQHUADER-UHFFFAOYSA-N 1 0 265.353 2.435 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2nnc3ccccn32)cc1C ZINC000742366083 575017011 /nfs/dbraw/zinc/01/70/11/575017011.db2.gz HEVNMCIKRSZEOO-UHFFFAOYSA-N 1 0 296.374 2.384 20 10 CECDRO C[C@@H]1C[C@@H](N(C)C(=O)C2=CC(=O)CS2)CC[N@@H+]1C ZINC000743536496 575106187 /nfs/dbraw/zinc/10/61/87/575106187.db2.gz KYBVIOOJAJVIST-ZJUUUORDSA-N 1 0 268.382 2.008 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H](O)c2ccco2)c1O ZINC000747098892 575167204 /nfs/dbraw/zinc/16/72/04/575167204.db2.gz CXDKJKRAWJDGEI-LBPRGKRZSA-N 1 0 277.320 2.207 20 10 CECDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000749294323 575212846 /nfs/dbraw/zinc/21/28/46/575212846.db2.gz GIZOZBAVDJLIFM-NSHDSACASA-N 1 0 286.331 2.237 20 10 CECDRO C[N@@H+](Cc1c(O)ccc2ccncc21)C[C@H]1CCOC1 ZINC000749966097 575242046 /nfs/dbraw/zinc/24/20/46/575242046.db2.gz JBKWPPGEXYGCMI-GFCCVEGCSA-N 1 0 272.348 2.409 20 10 CECDRO OCCC1([NH2+]Cc2cc3c(cc2O)OCO3)CCCCC1 ZINC000751153556 575283398 /nfs/dbraw/zinc/28/33/98/575283398.db2.gz RTAWNBRQZFVKNJ-UHFFFAOYSA-N 1 0 293.363 2.296 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000125551274 649939160 /nfs/dbraw/zinc/93/91/60/649939160.db2.gz UBWSBBQJLQMDMR-QGZVFWFLSA-N 1 0 290.407 2.134 20 10 CECDRO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(N(C)C)cc1 ZINC000125548580 649939316 /nfs/dbraw/zinc/93/93/16/649939316.db2.gz XTVJHFNTJVYWET-RHSMWYFYSA-N 1 0 292.423 2.192 20 10 CECDRO CN(CC(=O)NC(C)(C)C)Cc1c(O)cccc1Cl ZINC000120681088 622804488 /nfs/dbraw/zinc/80/44/88/622804488.db2.gz WBCJUBHHMCWWID-UHFFFAOYSA-N 1 0 284.787 2.392 20 10 CECDRO C[C@@H]([NH2+]Cc1cnn(C)n1)c1cc2c(cc1O)CCCC2 ZINC000806167427 622870613 /nfs/dbraw/zinc/87/06/13/622870613.db2.gz VRCHUVFCDJRCPJ-LLVKDONJSA-N 1 0 286.379 2.250 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2CC)c1 ZINC000091981829 625615160 /nfs/dbraw/zinc/61/51/60/625615160.db2.gz BYOYLKHIOMBXRE-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO FC(F)(F)COCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000070167560 623117045 /nfs/dbraw/zinc/11/70/45/623117045.db2.gz VDUPQOJQTAUWIC-UHFFFAOYSA-N 1 0 275.270 2.290 20 10 CECDRO COc1cc(O)c(C[N@H+](C)Cc2cccn2C)cc1OC ZINC000160412256 623282905 /nfs/dbraw/zinc/28/29/05/623282905.db2.gz FBUYDCYUYLAUGB-UHFFFAOYSA-N 1 0 290.363 2.380 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000840834649 623459723 /nfs/dbraw/zinc/45/97/23/623459723.db2.gz YZEVLBDOJIMMES-NWDGAFQWSA-N 1 0 288.391 2.058 20 10 CECDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000891475488 623734033 /nfs/dbraw/zinc/73/40/33/623734033.db2.gz GLXYSRKSSRENTE-DGCLKSJQSA-N 1 0 295.379 2.409 20 10 CECDRO COc1ccc(C[N@H+](CCCCO)C2CC2)c(O)c1OC ZINC000892036328 624267805 /nfs/dbraw/zinc/26/78/05/624267805.db2.gz UDJMAUGOCDPDOJ-UHFFFAOYSA-N 1 0 295.379 2.146 20 10 CECDRO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1cc(F)ccc1O ZINC000187717698 624696752 /nfs/dbraw/zinc/69/67/52/624696752.db2.gz KPJMBJJQCBVNAD-QMMMGPOBSA-N 1 0 278.283 2.074 20 10 CECDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cc(F)ccc1O ZINC000829208203 624839849 /nfs/dbraw/zinc/83/98/49/624839849.db2.gz GYGCUPPLXLMMQJ-NXEZZACHSA-N 1 0 253.317 2.343 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1cn2ccccc2n1 ZINC000168624135 625030695 /nfs/dbraw/zinc/03/06/95/625030695.db2.gz UXBIJMGLUAJNEK-UHFFFAOYSA-N 1 0 253.305 2.330 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000725847436 625784693 /nfs/dbraw/zinc/78/46/93/625784693.db2.gz MGJPJGKQJGPSGQ-ZDUSSCGKSA-N 1 0 299.374 2.146 20 10 CECDRO COCC[C@@H](COC)[NH2+]Cc1cc(Cl)ccc1O ZINC000310802394 627295437 /nfs/dbraw/zinc/29/54/37/627295437.db2.gz GZUNLFJDJGVYNH-LBPRGKRZSA-N 1 0 273.760 2.187 20 10 CECDRO CN1CCCc2cc(CN[C@@H]3CC[NH2+]C34CCC4)ccc21 ZINC000925531534 628131139 /nfs/dbraw/zinc/13/11/39/628131139.db2.gz LGPUXWCAJYYBRA-QGZVFWFLSA-N 1 0 285.435 2.443 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2cn(C)cn2)c1 ZINC000313267388 628585545 /nfs/dbraw/zinc/58/55/45/628585545.db2.gz SXCHDVKFWLQKGI-NSHDSACASA-N 1 0 275.352 2.028 20 10 CECDRO Cn1cnc(CC[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000313293457 628588260 /nfs/dbraw/zinc/58/82/60/628588260.db2.gz JBYMFZILDHBDSX-UHFFFAOYSA-N 1 0 265.744 2.111 20 10 CECDRO COc1ccc(C[N@H+](C)Cc2cccnc2)c(O)c1OC ZINC000893419084 628594050 /nfs/dbraw/zinc/59/40/50/628594050.db2.gz OJBCVDPHTGWTMB-UHFFFAOYSA-N 1 0 288.347 2.436 20 10 CECDRO C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1O ZINC000902475963 634667688 /nfs/dbraw/zinc/66/76/88/634667688.db2.gz KNXOWKRSVVRPNC-YPWHJJHSSA-N 1 0 250.317 2.075 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1O ZINC000840971667 628961198 /nfs/dbraw/zinc/96/11/98/628961198.db2.gz SCYUTNJFRPGQBC-YPMHNXCESA-N 1 0 271.307 2.339 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c(O)c1OC ZINC000893721544 628987883 /nfs/dbraw/zinc/98/78/83/628987883.db2.gz SVWPEPUMAUCUKR-DGCLKSJQSA-N 1 0 295.379 2.050 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000894164263 629178276 /nfs/dbraw/zinc/17/82/76/629178276.db2.gz BTZIHHGCVVKENV-GFCCVEGCSA-N 1 0 277.320 2.125 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCN(C3CC3)C2)c1O ZINC000894240696 629247654 /nfs/dbraw/zinc/24/76/54/629247654.db2.gz FAFDBJSOKHEXIN-ZDUSSCGKSA-N 1 0 276.380 2.036 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCOCC2CC2)c1O ZINC000894254426 629264598 /nfs/dbraw/zinc/26/45/98/629264598.db2.gz OLEALZBBAUOBLD-UHFFFAOYSA-N 1 0 265.353 2.225 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(C)cc1O ZINC000794800016 629323010 /nfs/dbraw/zinc/32/30/10/629323010.db2.gz BFEMEYPHCDPTPZ-KBPBESRZSA-N 1 0 276.380 2.362 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@H]2CCOC2)c1O ZINC000894303625 629324431 /nfs/dbraw/zinc/32/44/31/629324431.db2.gz FKWVXUUYWSQOMP-NEPJUHHUSA-N 1 0 265.353 2.224 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(C)cc1O ZINC000794809079 629326260 /nfs/dbraw/zinc/32/62/60/629326260.db2.gz 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ZINC000894915432 629752292 /nfs/dbraw/zinc/75/22/92/629752292.db2.gz LKXKZMYCOXASJQ-JSGCOSHPSA-N 1 0 297.395 2.295 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c(O)c1OC ZINC000894941074 629765511 /nfs/dbraw/zinc/76/55/11/629765511.db2.gz YQQWYHKTMDFPPF-YPMHNXCESA-N 1 0 295.379 2.002 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1O ZINC000895014737 629798704 /nfs/dbraw/zinc/79/87/04/629798704.db2.gz MUKNFLUTXUZYGW-CHWSQXEVSA-N 1 0 279.380 2.302 20 10 CECDRO COCC1CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000160187183 629858121 /nfs/dbraw/zinc/85/81/21/629858121.db2.gz ITYOZZZDYNDBAJ-UHFFFAOYSA-N 1 0 295.379 2.268 20 10 CECDRO CC[N@H+](CCNC(=O)Nc1ccc(N)cc1)C(C)C ZINC000841300185 630238712 /nfs/dbraw/zinc/23/87/12/630238712.db2.gz MEHHDSSKEMTUAD-UHFFFAOYSA-N 1 0 264.373 2.121 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)COCCO3)c1 ZINC000895695868 630309060 /nfs/dbraw/zinc/30/90/60/630309060.db2.gz IMSJADDOCXPPLL-UHFFFAOYSA-N 1 0 277.364 2.082 20 10 CECDRO CC[C@]1(O)CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895758114 630333583 /nfs/dbraw/zinc/33/35/83/630333583.db2.gz CFHWQKRURRSYST-INIZCTEOSA-N 1 0 295.379 2.146 20 10 CECDRO Cc1nc([C@@H]2CC[N@H+](Cc3cccc(C)c3O)C2)no1 ZINC000896237437 630508356 /nfs/dbraw/zinc/50/83/56/630508356.db2.gz MXAVCUKUZHBPNQ-CYBMUJFWSA-N 1 0 273.336 2.382 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)cc1Cl ZINC000896858445 630694239 /nfs/dbraw/zinc/69/42/39/630694239.db2.gz JXJFIALYLPULJW-JMSVASOKSA-N 1 0 297.782 2.248 20 10 CECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000896958891 630844482 /nfs/dbraw/zinc/84/44/82/630844482.db2.gz PWNNFOWWYGLBBH-CQSZACIVSA-N 1 0 277.364 2.340 20 10 CECDRO CC[C@H]([NH2+][C@H](CO)CCOC)c1cc(Cl)ccc1O ZINC000798941194 630955761 /nfs/dbraw/zinc/95/57/61/630955761.db2.gz WNIJPNBLCDFFNU-AAEUAGOBSA-N 1 0 287.787 2.484 20 10 CECDRO COC[C@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)C(C)C ZINC000897221356 630998765 /nfs/dbraw/zinc/99/87/65/630998765.db2.gz LWQIRTQGLGWJRJ-ZDUSSCGKSA-N 1 0 297.395 2.418 20 10 CECDRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c(O)c1 ZINC000897258531 631024093 /nfs/dbraw/zinc/02/40/93/631024093.db2.gz UBZPCFOBKWPADA-HNNXBMFYSA-N 1 0 291.391 2.207 20 10 CECDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928711134 631130458 /nfs/dbraw/zinc/13/04/58/631130458.db2.gz FDLPYEDBLPGXNE-CYBMUJFWSA-N 1 0 280.343 2.022 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CC(C2CCOCC2)C1 ZINC000800529815 631133153 /nfs/dbraw/zinc/13/31/53/631133153.db2.gz GFAWKKUBLYLUOI-UHFFFAOYSA-N 1 0 265.328 2.390 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(C)=O)C2)cc1C ZINC000987645275 631437726 /nfs/dbraw/zinc/43/77/26/631437726.db2.gz OIKKODDYMLCVAJ-SWLSCSKDSA-N 1 0 276.380 2.103 20 10 CECDRO CN(C)c1ccc([C@H](CNc2cnccn2)[NH+](C)C)cc1 ZINC000897523217 631620052 /nfs/dbraw/zinc/62/00/52/631620052.db2.gz RXKZTMKIRHCINX-HNNXBMFYSA-N 1 0 285.395 2.257 20 10 CECDRO COc1cccc(C[NH2+]CC[C@@H]2CCCC[C@@H]2O)c1O ZINC000897538980 631697364 /nfs/dbraw/zinc/69/73/64/631697364.db2.gz KKXHULDIOJMGQJ-JSGCOSHPSA-N 1 0 279.380 2.432 20 10 CECDRO C[C@@H]1C[C@H](CN2CCOc3cc(N(C)C)ccc32)CC[NH2+]1 ZINC000841011247 631712756 /nfs/dbraw/zinc/71/27/56/631712756.db2.gz FVJOXHDAFRONSJ-ZIAGYGMSSA-N 1 0 289.423 2.340 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(=O)NC ZINC000841752827 631725542 /nfs/dbraw/zinc/72/55/42/631725542.db2.gz CKUQRUOGYQXCFD-GZMMTYOYSA-N 1 0 270.760 2.221 20 10 CECDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000840091095 631834097 /nfs/dbraw/zinc/83/40/97/631834097.db2.gz IWPDPJWFDSVHDK-AWEZNQCLSA-N 1 0 278.396 2.235 20 10 CECDRO C[C@@]1(F)CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000840097554 631846609 /nfs/dbraw/zinc/84/66/09/631846609.db2.gz BVJSISQJQVXCLZ-UKRRQHHQSA-N 1 0 281.327 2.142 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897844543 631941001 /nfs/dbraw/zinc/94/10/01/631941001.db2.gz RPJQPTXCOCLIPI-HWOWSKLDSA-N 1 0 260.381 2.064 20 10 CECDRO CO[C@@H]1CCOC[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000897890557 631964099 /nfs/dbraw/zinc/96/40/99/631964099.db2.gz SHSJYEUYHWKPSZ-ADDHZHGLSA-N 1 0 290.407 2.159 20 10 CECDRO COC[C@H](CC(C)C)[NH2+]CCc1ccc(N)cc1 ZINC000841036542 631978611 /nfs/dbraw/zinc/97/86/11/631978611.db2.gz UUXDOHYOVJFHII-HNNXBMFYSA-N 1 0 250.386 2.462 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898202793 632083675 /nfs/dbraw/zinc/08/36/75/632083675.db2.gz NACGFYRRXZCORC-GFCCVEGCSA-N 1 0 255.745 2.296 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2cccnc2C)c1 ZINC000898255874 632119953 /nfs/dbraw/zinc/11/99/53/632119953.db2.gz OHDANSPYHWQMBM-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO CC[N@@H+]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000809698279 632130323 /nfs/dbraw/zinc/13/03/23/632130323.db2.gz XPEDWBKBSWGMRM-ZDUSSCGKSA-N 1 0 279.403 2.418 20 10 CECDRO C[NH+](C)CCN(Cc1cc(F)ccc1O)C[C@H]1CCCO1 ZINC000809737619 632135032 /nfs/dbraw/zinc/13/50/32/632135032.db2.gz JTUDDZYAFZERQR-OAHLLOKOSA-N 1 0 296.386 2.074 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)C2CC2)cc1F ZINC000809752213 632140557 /nfs/dbraw/zinc/14/05/57/632140557.db2.gz PKDQATOHPOUNBH-OAHLLOKOSA-N 1 0 266.360 2.094 20 10 CECDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000809777996 632144326 /nfs/dbraw/zinc/14/43/26/632144326.db2.gz KTZFDZAJVMLXHN-HNNXBMFYSA-N 1 0 290.407 2.439 20 10 CECDRO CCO[C@@H](C[NH2+][C@H](CC)c1ccccc1O)CN(C)C ZINC000926958246 632385261 /nfs/dbraw/zinc/38/52/61/632385261.db2.gz FIBNYHLDSLSSCY-DZGCQCFKSA-N 1 0 280.412 2.400 20 10 CECDRO CCOCCOCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000927085461 632453939 /nfs/dbraw/zinc/45/39/39/632453939.db2.gz IJECCWPULNZUET-LBPRGKRZSA-N 1 0 283.368 2.105 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc1 ZINC000898384990 632476881 /nfs/dbraw/zinc/47/68/81/632476881.db2.gz AUVMYSJPBARROU-JKSUJKDBSA-N 1 0 260.381 2.267 20 10 CECDRO COC[C@H](C)C[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449602 632498821 /nfs/dbraw/zinc/49/88/21/632498821.db2.gz HXUACONHGRGGQR-RHSMWYFYSA-N 1 0 293.455 2.227 20 10 CECDRO COC(=O)[C@@H](C[NH2+]Cc1ccccc1O)CC(C)C ZINC000813332621 632670652 /nfs/dbraw/zinc/67/06/52/632670652.db2.gz DFMCUMSHHFJSEI-CYBMUJFWSA-N 1 0 265.353 2.317 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000899173300 632727884 /nfs/dbraw/zinc/72/78/84/632727884.db2.gz LZQVVFMFQZTKPN-CYBMUJFWSA-N 1 0 274.364 2.107 20 10 CECDRO Cc1cc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)ccc1N(C)C ZINC000813861215 632747843 /nfs/dbraw/zinc/74/78/43/632747843.db2.gz YACYZMHXSWWHKA-OAHLLOKOSA-N 1 0 289.423 2.208 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C2(COC)CCOCC2)c1 ZINC000814301839 632822018 /nfs/dbraw/zinc/82/20/18/632822018.db2.gz GMQRQTNJWUPDGW-UHFFFAOYSA-N 1 0 295.379 2.076 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)[C@H]1CCCO1 ZINC000815104041 632960676 /nfs/dbraw/zinc/96/06/76/632960676.db2.gz XRPCEQSSJAAUCN-NVXWUHKLSA-N 1 0 292.423 2.345 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c(O)c1 ZINC000815160115 632974824 /nfs/dbraw/zinc/97/48/24/632974824.db2.gz PYONITMESVRFMB-LRDDRELGSA-N 1 0 279.380 2.432 20 10 CECDRO CC[N@H+](CC(=O)N(C)C)Cc1ccc2ccccc2c1O ZINC000816485984 633398316 /nfs/dbraw/zinc/39/83/16/633398316.db2.gz JAVVYXWCIVKXFW-UHFFFAOYSA-N 1 0 286.375 2.456 20 10 CECDRO CNC(=O)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816515973 633405550 /nfs/dbraw/zinc/40/55/50/633405550.db2.gz QNTZVIWOROKWEH-UHFFFAOYSA-N 1 0 299.374 2.002 20 10 CECDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc2ccccc2c1O ZINC000816549838 633411238 /nfs/dbraw/zinc/41/12/38/633411238.db2.gz ZTNRDGKXQUPSMW-NSHDSACASA-N 1 0 293.388 2.068 20 10 CECDRO CC[N@H+](CCOCCO)Cc1ccc2ccccc2c1O ZINC000816600049 633420635 /nfs/dbraw/zinc/42/06/35/633420635.db2.gz IYHKCLXBHOQMIA-UHFFFAOYSA-N 1 0 289.375 2.376 20 10 CECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cccc(C)c1O ZINC000816626149 633453264 /nfs/dbraw/zinc/45/32/64/633453264.db2.gz WYODGWBKTDZKCJ-ZDUSSCGKSA-N 1 0 278.396 2.343 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000816643143 633455224 /nfs/dbraw/zinc/45/52/24/633455224.db2.gz WJYXEJAUCMKYEC-QGZVFWFLSA-N 1 0 290.407 2.319 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)cc1 ZINC000817279791 633617657 /nfs/dbraw/zinc/61/76/57/633617657.db2.gz UTZGPBZAFRBBNT-INIZCTEOSA-N 1 0 292.423 2.114 20 10 CECDRO OCC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000817418889 633656458 /nfs/dbraw/zinc/65/64/58/633656458.db2.gz KGYCUEDWJVMRND-LBPRGKRZSA-N 1 0 293.363 2.105 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccccc1O ZINC000817586206 633702591 /nfs/dbraw/zinc/70/25/91/633702591.db2.gz LZCVUKMHHXWQND-JHJVBQTASA-N 1 0 276.380 2.335 20 10 CECDRO CC[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000817586838 633702898 /nfs/dbraw/zinc/70/28/98/633702898.db2.gz SSCBCPNOATXIRF-OAHLLOKOSA-N 1 0 289.423 2.449 20 10 CECDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc2c(c1)CCCN2C ZINC000817900440 633761181 /nfs/dbraw/zinc/76/11/81/633761181.db2.gz MTNMALYYXADGKL-CZUORRHYSA-N 1 0 273.424 2.157 20 10 CECDRO C[C@@H]1C[C@H](NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c2nccn21 ZINC000817942289 633790204 /nfs/dbraw/zinc/79/02/04/633790204.db2.gz NPSXLTACOIAXJY-WQVCFCJDSA-N 1 0 299.422 2.245 20 10 CECDRO C[C@H]1C[C@@H](NCC[NH2+]C2CC2)c2c1c(F)ccc2O ZINC000817951948 633796180 /nfs/dbraw/zinc/79/61/80/633796180.db2.gz BRSSXYRFPFPCGX-JOYOIKCWSA-N 1 0 264.344 2.421 20 10 CECDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817959849 633801155 /nfs/dbraw/zinc/80/11/55/633801155.db2.gz JREXJMCJCDWLFS-MJVIPROJSA-N 1 0 293.367 2.469 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000817970444 633813717 /nfs/dbraw/zinc/81/37/17/633813717.db2.gz VQKVHVNDHREJHG-DRZSPHRISA-N 1 0 292.379 2.099 20 10 CECDRO COC[C@]1(CN[C@H](C)c2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000817974208 633816724 /nfs/dbraw/zinc/81/67/24/633816724.db2.gz JKIWGHGFFOIEOQ-RHSMWYFYSA-N 1 0 291.439 2.172 20 10 CECDRO C[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817977286 633819713 /nfs/dbraw/zinc/81/97/13/633819713.db2.gz GSBQWPLCSUFZEM-NXEZZACHSA-N 1 0 267.329 2.078 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000817976417 633820042 /nfs/dbraw/zinc/82/00/42/633820042.db2.gz LUGJVKKJJCVAOU-NEPJUHHUSA-N 1 0 294.395 2.347 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)cc1 ZINC000817976706 633820391 /nfs/dbraw/zinc/82/03/91/633820391.db2.gz RXNXEOWKHZFZCS-QEJZJMRPSA-N 1 0 279.403 2.493 20 10 CECDRO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000817978413 633821502 /nfs/dbraw/zinc/82/15/02/633821502.db2.gz ANDODRPTPCNCFF-FZMZJTMJSA-N 1 0 283.366 2.400 20 10 CECDRO C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C(F)(F)F)c1[O-] ZINC000817977939 633822079 /nfs/dbraw/zinc/82/20/79/633822079.db2.gz RVAPVPJSADPCBV-QAHWYCSRSA-N 1 0 286.297 2.279 20 10 CECDRO CC[C@@H]([NH3+])CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817980720 633823882 /nfs/dbraw/zinc/82/38/82/633823882.db2.gz WQAGZPJWMHTIJS-GXTWGEPZSA-N 1 0 295.402 2.050 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(Cl)c1[O-] ZINC000817982978 633826004 /nfs/dbraw/zinc/82/60/04/633826004.db2.gz XEXHYKCQMOBKFN-RISCZKNCSA-N 1 0 298.814 2.465 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000818608178 633958555 /nfs/dbraw/zinc/95/85/55/633958555.db2.gz QIBGHBLIPDKBRH-UONOGXRCSA-N 1 0 291.439 2.473 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CC(CC(N)=O)C2)c(O)c1 ZINC000903261335 635033927 /nfs/dbraw/zinc/03/39/27/635033927.db2.gz WVQJHAAWHNZSNC-PNESKVBLSA-N 1 0 276.380 2.314 20 10 CECDRO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Cl)ccc1O ZINC000903261638 635034183 /nfs/dbraw/zinc/03/41/83/635034183.db2.gz ZOODGXMJLRRNSB-SILCLGDVSA-N 1 0 282.771 2.350 20 10 CECDRO COc1ccc2c(c1)CCCN2C[C@@H]1C[NH2+]C[C@H]1C ZINC000903430245 635113872 /nfs/dbraw/zinc/11/38/72/635113872.db2.gz QYIKINSOMIWTOM-OCCSQVGLSA-N 1 0 260.381 2.303 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cnc3n2CCOC3)c1 ZINC000903419839 635120511 /nfs/dbraw/zinc/12/05/11/635120511.db2.gz HVKINHMDENTFAC-LBPRGKRZSA-N 1 0 287.363 2.278 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)CC2 ZINC000903441168 635120589 /nfs/dbraw/zinc/12/05/89/635120589.db2.gz YJMAWVJKXLDFIG-MGPQQGTHSA-N 1 0 259.349 2.394 20 10 CECDRO CN(C)c1ccc(CNC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955487 635389131 /nfs/dbraw/zinc/38/91/31/635389131.db2.gz STIANXNHTKXPCP-ZDUSSCGKSA-N 1 0 283.366 2.087 20 10 CECDRO CC[C@H](CO)[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000824534028 635444125 /nfs/dbraw/zinc/44/41/25/635444125.db2.gz XULZLXOAVMNQHG-MRVPVSSYSA-N 1 0 261.724 2.387 20 10 CECDRO COc1cc(O)c(C[N@H+]2CC[C@@H](OC)[C@H](C)C2)cc1OC ZINC000824815316 635503684 /nfs/dbraw/zinc/50/36/84/635503684.db2.gz LRHBUMJNLOWLKT-BXUZGUMPSA-N 1 0 295.379 2.266 20 10 CECDRO COc1cc(O)c(C[NH2+]Cc2cnccc2C)cc1OC ZINC000824910771 635522603 /nfs/dbraw/zinc/52/26/03/635522603.db2.gz ZQEHDQXDGAWYGH-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)CN2CCOCC2)cc1Cl ZINC000825114719 635572089 /nfs/dbraw/zinc/57/20/89/635572089.db2.gz VTDIRDHYFNKYMO-LBPRGKRZSA-N 1 0 298.814 2.164 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](O)COCC2CC2)cc1Cl ZINC000825197875 635590036 /nfs/dbraw/zinc/59/00/36/635590036.db2.gz WJGAGXNASPBRSG-ZDUSSCGKSA-N 1 0 299.798 2.231 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2ncccc2OC)c(O)c1 ZINC000825249912 635599514 /nfs/dbraw/zinc/59/95/14/635599514.db2.gz QUMQFUMUWFOVRD-UHFFFAOYSA-N 1 0 288.347 2.484 20 10 CECDRO C[C@H]1CC[C@@H](NCc2ccc3c(c2)CCCO3)C[NH2+]1 ZINC000904380799 635604934 /nfs/dbraw/zinc/60/49/34/635604934.db2.gz GXMYUTSFBHPXIS-SWLSCSKDSA-N 1 0 260.381 2.242 20 10 CECDRO [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000904405484 635612148 /nfs/dbraw/zinc/61/21/48/635612148.db2.gz JXPROXVPLZSDSJ-JTQLQIEISA-N 1 0 254.761 2.216 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)c1 ZINC000904461855 635634033 /nfs/dbraw/zinc/63/40/33/635634033.db2.gz PCFAYQSDSRUZQP-NVXWUHKLSA-N 1 0 284.359 2.115 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@H]1C[NH2+]CC1(C)C ZINC000904460994 635644837 /nfs/dbraw/zinc/64/48/37/635644837.db2.gz DAFCHYPNFIRWHJ-HNNXBMFYSA-N 1 0 261.413 2.149 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@H](O)C[C@@H]2C)cc1Cl ZINC000825666083 635689518 /nfs/dbraw/zinc/68/95/18/635689518.db2.gz GWCKXIWNWMVLBU-GXSJLCMTSA-N 1 0 255.745 2.309 20 10 CECDRO CCOC1CC(O)(C[NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000825710468 635700334 /nfs/dbraw/zinc/70/03/34/635700334.db2.gz QHZVIOHNNQHRMV-UHFFFAOYSA-N 1 0 299.798 2.374 20 10 CECDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000842754352 635769058 /nfs/dbraw/zinc/76/90/58/635769058.db2.gz NWJAWHQBIGVKRI-YPMHNXCESA-N 1 0 267.369 2.288 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)c(O)c1 ZINC000842776765 635775418 /nfs/dbraw/zinc/77/54/18/635775418.db2.gz ZRIBUOZRXZLGSO-PWSUYJOCSA-N 1 0 251.326 2.058 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000826845102 635859054 /nfs/dbraw/zinc/85/90/54/635859054.db2.gz FPBNOKHQOLBTOH-CABCVRRESA-N 1 0 290.407 2.290 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)c1O ZINC000826889520 635873647 /nfs/dbraw/zinc/87/36/47/635873647.db2.gz WBSOIQGMPWFMJJ-GXFFZTMASA-N 1 0 272.352 2.342 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCC[C@H](C)O2)cc1OC ZINC000827251917 636269097 /nfs/dbraw/zinc/26/90/97/636269097.db2.gz QYWKKUVMUUTVKU-WCQYABFASA-N 1 0 295.379 2.457 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2COCCO2)cc1 ZINC000827336120 636297845 /nfs/dbraw/zinc/29/78/45/636297845.db2.gz AIHMRCBCNLCMRU-QGZVFWFLSA-N 1 0 292.423 2.380 20 10 CECDRO CN(C)c1ccc(C[N@H+](C[C@H]2COCCO2)C2CC2)cc1 ZINC000827443199 636321991 /nfs/dbraw/zinc/32/19/91/636321991.db2.gz ZGYLIIJRJAXRDR-KRWDZBQOSA-N 1 0 290.407 2.132 20 10 CECDRO COc1ccc(N2CCC([NH2+]C3([C@H](C)O)CC3)CC2)cc1 ZINC000827586103 636359233 /nfs/dbraw/zinc/35/92/33/636359233.db2.gz UBOXOVQGPOAIBG-ZDUSSCGKSA-N 1 0 290.407 2.167 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000905737895 636424799 /nfs/dbraw/zinc/42/47/99/636424799.db2.gz JDMMLYCSYCDHLA-LBPRGKRZSA-N 1 0 261.365 2.492 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCO[C@@H](C)CC2)cc1OC ZINC000905740101 636427034 /nfs/dbraw/zinc/42/70/34/636427034.db2.gz QXBGQQWEHULOGY-NSHDSACASA-N 1 0 281.352 2.020 20 10 CECDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000827812935 636431742 /nfs/dbraw/zinc/43/17/42/636431742.db2.gz ZYGBHIOZBCOEFU-HOMQSWHASA-N 1 0 283.755 2.395 20 10 CECDRO C[N@H+](Cc1cc(Cl)ccc1O)C1(CO)CCC1 ZINC000827903476 636456507 /nfs/dbraw/zinc/45/65/07/636456507.db2.gz IDTWKWURRMFNHG-UHFFFAOYSA-N 1 0 255.745 2.392 20 10 CECDRO CC(C)[C@H](C(=O)N[C@@H](C)c1ccccc1O)[NH+](C)C ZINC000827973481 636475543 /nfs/dbraw/zinc/47/55/43/636475543.db2.gz QVVGPYDZIXDCEA-SMDDNHRTSA-N 1 0 264.369 2.156 20 10 CECDRO C[C@H](NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1ccccc1O ZINC000827972856 636475745 /nfs/dbraw/zinc/47/57/45/636475745.db2.gz AYZPMLQHZYLOLQ-AVGNSLFASA-N 1 0 276.380 2.442 20 10 CECDRO C[C@@H](NC(=O)CC[NH2+]C(C)(C)C)c1ccccc1O ZINC000828539465 636624272 /nfs/dbraw/zinc/62/42/72/636624272.db2.gz PFCMJSHOYGYOEM-LLVKDONJSA-N 1 0 264.369 2.348 20 10 CECDRO C[C@@H]([NH3+])CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000828988520 636747157 /nfs/dbraw/zinc/74/71/57/636747157.db2.gz URSCJFGEAIZYNA-CQSZACIVSA-N 1 0 289.423 2.276 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000876521640 650300963 /nfs/dbraw/zinc/30/09/63/650300963.db2.gz SCUCPTUKMUELRJ-UHFFFAOYSA-N 1 0 288.391 2.191 20 10 CECDRO CC(C)[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876527717 650304719 /nfs/dbraw/zinc/30/47/19/650304719.db2.gz KMPMUGYVISIGNH-UHFFFAOYSA-N 1 0 262.397 2.488 20 10 CECDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876582433 650345436 /nfs/dbraw/zinc/34/54/36/650345436.db2.gz ZDZLGWGIJSIXQH-CQSZACIVSA-N 1 0 292.379 2.411 20 10 CECDRO Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000832284611 637533224 /nfs/dbraw/zinc/53/32/24/637533224.db2.gz KWFPGZPYEBKHFV-AWEZNQCLSA-N 1 0 287.363 2.084 20 10 CECDRO CC(C)SCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832299807 637537844 /nfs/dbraw/zinc/53/78/44/637537844.db2.gz JEVGGQFIDOQSFF-AWEZNQCLSA-N 1 0 295.452 2.010 20 10 CECDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2O)n1C ZINC000876615408 650360572 /nfs/dbraw/zinc/36/05/72/650360572.db2.gz DNPUQLQYSFWAHG-UHFFFAOYSA-N 1 0 288.347 2.149 20 10 CECDRO Cc1cccc2c1CCN2C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876629281 650366644 /nfs/dbraw/zinc/36/66/44/650366644.db2.gz GLVAWKROYDURFZ-HSBSLETESA-N 1 0 270.376 2.440 20 10 CECDRO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834531207 637856978 /nfs/dbraw/zinc/85/69/78/637856978.db2.gz SDLRSQUFPAHPMZ-UONOGXRCSA-N 1 0 279.380 2.003 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCc3nc[nH]c3C1)CC2 ZINC000834808235 637956904 /nfs/dbraw/zinc/95/69/04/637956904.db2.gz YPFPJXSCJCUKFI-DGCLKSJQSA-N 1 0 269.348 2.250 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC)C2)cc1 ZINC000834892469 637980431 /nfs/dbraw/zinc/98/04/31/637980431.db2.gz VLDAIOJPGWQWFU-ZFWWWQNUSA-N 1 0 289.423 2.414 20 10 CECDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)c2c1c(F)ccc2O ZINC000834905889 637983428 /nfs/dbraw/zinc/98/34/28/637983428.db2.gz AFRZADDUQWHXMS-UXCLJVHYSA-N 1 0 292.354 2.323 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CC)C(=O)NC)c1ccc(N(C)C)cc1 ZINC000834910042 637985005 /nfs/dbraw/zinc/98/50/05/637985005.db2.gz CJEABLVJYSKKIE-CABCVRRESA-N 1 0 277.412 2.318 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)c2c1c(F)ccc2O ZINC000834909425 637985018 /nfs/dbraw/zinc/98/50/18/637985018.db2.gz RLWKKRBDSSANQA-RBIVETJNSA-N 1 0 292.354 2.338 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)C(=O)NC ZINC000834915757 637987452 /nfs/dbraw/zinc/98/74/52/637987452.db2.gz ZUUGIRIFOHQVRM-KCJUWKMLSA-N 1 0 270.760 2.221 20 10 CECDRO Cc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(O)c1 ZINC000876660735 650384141 /nfs/dbraw/zinc/38/41/41/650384141.db2.gz ZLFIXXPFOSSJPR-OAHLLOKOSA-N 1 0 260.381 2.371 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@H+](C)[C@H]2CCOC2)cc1 ZINC000835029595 638030966 /nfs/dbraw/zinc/03/09/66/638030966.db2.gz XYSWOILLOKSPQD-APHBUQMISA-N 1 0 260.381 2.487 20 10 CECDRO C[C@H](O)CC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835030748 638031591 /nfs/dbraw/zinc/03/15/91/638031591.db2.gz YSYUPFIPLVKYKR-GXMNPTEKSA-N 1 0 262.397 2.469 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C2CCN(C)CC2)cc1 ZINC000835033127 638031619 /nfs/dbraw/zinc/03/16/19/638031619.db2.gz CPYHGZYQBDBAED-SNAWJCMRSA-N 1 0 273.424 2.450 20 10 CECDRO C[C@H](C[S@@](C)=O)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835047268 638037855 /nfs/dbraw/zinc/03/78/55/638037855.db2.gz FBHKTHQIYNADRF-HSUXVVMDSA-N 1 0 294.464 2.465 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCCn2ccnn2)cc1 ZINC000835048368 638038779 /nfs/dbraw/zinc/03/87/79/638038779.db2.gz QOCMZSQQNGAOAY-HWKANZROSA-N 1 0 285.395 2.037 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2([S@](C)=O)CC2)cc1 ZINC000835052672 638041044 /nfs/dbraw/zinc/04/10/44/638041044.db2.gz PWVZDLZWUGRXNF-FBQMEGEOSA-N 1 0 292.448 2.267 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000835088551 638058051 /nfs/dbraw/zinc/05/80/51/638058051.db2.gz SLMILJBYLGOENU-QWRGUYRKSA-N 1 0 251.326 2.058 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000835088548 638058109 /nfs/dbraw/zinc/05/81/09/638058109.db2.gz SLMILJBYLGOENU-MNOVXSKESA-N 1 0 251.326 2.058 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c(O)c1 ZINC000876815277 650443974 /nfs/dbraw/zinc/44/39/74/650443974.db2.gz WGUUSDJZCOCJGD-CQSZACIVSA-N 1 0 286.379 2.204 20 10 CECDRO Cc1ccc(C[NH2+]CCCOC[C@@H]2CCCO2)c(O)c1 ZINC000876900777 650478775 /nfs/dbraw/zinc/47/87/75/650478775.db2.gz QVQMNVWXVJTOIY-HNNXBMFYSA-N 1 0 279.380 2.376 20 10 CECDRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000876905546 650480608 /nfs/dbraw/zinc/48/06/08/650480608.db2.gz IODFHPFGNXFZBF-ZFWWWQNUSA-N 1 0 289.423 2.290 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCOC(C)(C)C2)c1O ZINC000164009917 639340619 /nfs/dbraw/zinc/34/06/19/639340619.db2.gz MALCTELDPMBQRI-UHFFFAOYSA-N 1 0 265.353 2.320 20 10 CECDRO CC[C@@H]1COCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000164358622 639364996 /nfs/dbraw/zinc/36/49/96/639364996.db2.gz ZKQAJCZCFYBNGB-CYBMUJFWSA-N 1 0 265.353 2.320 20 10 CECDRO CC[C@H]1COCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000164358750 639365227 /nfs/dbraw/zinc/36/52/27/639365227.db2.gz ZKQAJCZCFYBNGB-ZDUSSCGKSA-N 1 0 265.353 2.320 20 10 CECDRO COc1cc(C)cc(C[NH+]2CCC([C@H](C)O)CC2)c1O ZINC000164372229 639366139 /nfs/dbraw/zinc/36/61/39/639366139.db2.gz BCBHCZQKYQSYCZ-LBPRGKRZSA-N 1 0 279.380 2.302 20 10 CECDRO COC[C@@H](C)C[NH2+]CCCSc1nccs1 ZINC000157318149 639481251 /nfs/dbraw/zinc/48/12/51/639481251.db2.gz FGQGRQCACRSXPE-JTQLQIEISA-N 1 0 260.428 2.497 20 10 CECDRO Cc1ccc(C[NH2+]CC(=O)N(C)Cc2ccccc2)c(O)c1 ZINC000876947265 650500742 /nfs/dbraw/zinc/50/07/42/650500742.db2.gz AWLHNIMUHZNICU-UHFFFAOYSA-N 1 0 298.386 2.449 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(C)cc1O ZINC000876946728 650500811 /nfs/dbraw/zinc/50/08/11/650500811.db2.gz PZWWWFPPKXLJPB-LBPRGKRZSA-N 1 0 264.369 2.095 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CNC(=O)C2)c1O ZINC000840837930 639558201 /nfs/dbraw/zinc/55/82/01/639558201.db2.gz MBLJAQHWMBQFHD-NXEZZACHSA-N 1 0 282.771 2.141 20 10 CECDRO Cc1cc(O)c(CNCCC[NH+](C)C)c(Cl)c1 ZINC000840872858 639568443 /nfs/dbraw/zinc/56/84/43/639568443.db2.gz NPKFISQGEKXRAJ-UHFFFAOYSA-N 1 0 256.777 2.395 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000840907747 639580966 /nfs/dbraw/zinc/58/09/66/639580966.db2.gz IJFZXVAQNWVCSD-SNVBAGLBSA-N 1 0 282.771 2.051 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840910396 639582252 /nfs/dbraw/zinc/58/22/52/639582252.db2.gz LXCNXWAVMVCHRZ-AWEZNQCLSA-N 1 0 276.380 2.056 20 10 CECDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000168829583 639586343 /nfs/dbraw/zinc/58/63/43/639586343.db2.gz AJWOOUTWBJPOIL-QWRGUYRKSA-N 1 0 272.348 2.460 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)COCC(C)C ZINC000840930678 639590032 /nfs/dbraw/zinc/59/00/32/639590032.db2.gz OMCJAUNTQSCLAW-KRWDZBQOSA-N 1 0 294.439 2.184 20 10 CECDRO CC[C@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938071 639592872 /nfs/dbraw/zinc/59/28/72/639592872.db2.gz ZGEXLRMSSCEOHC-OAHLLOKOSA-N 1 0 250.386 2.312 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000840945633 639596695 /nfs/dbraw/zinc/59/66/95/639596695.db2.gz RSKDPTNZFMARAH-KRWDZBQOSA-N 1 0 299.418 2.322 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000840948992 639598246 /nfs/dbraw/zinc/59/82/46/639598246.db2.gz LPHMZHUFZAJMIK-MRXNPFEDSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(CO)CCSCC1 ZINC000840953290 639598945 /nfs/dbraw/zinc/59/89/45/639598945.db2.gz OFKPQTCEFKRHPJ-UHFFFAOYSA-N 1 0 294.464 2.409 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2cn(C)cn2)c(Cl)c1 ZINC000840952746 639599359 /nfs/dbraw/zinc/59/93/59/639599359.db2.gz IJLLTROMYJUJKE-UHFFFAOYSA-N 1 0 279.771 2.420 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)c1O ZINC000840954960 639599952 /nfs/dbraw/zinc/59/99/52/639599952.db2.gz NZOKOJLONUXNRT-HNNXBMFYSA-N 1 0 277.364 2.402 20 10 CECDRO COCC[C@@H](C)C[NH2+]Cc1c(O)cccc1OC ZINC000840955088 639600558 /nfs/dbraw/zinc/60/05/58/639600558.db2.gz MPNMRBUGVUOEFN-LLVKDONJSA-N 1 0 253.342 2.163 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1OC ZINC000840963975 639602806 /nfs/dbraw/zinc/60/28/06/639602806.db2.gz PSINRNLSTQPAPH-UTUOFQBUSA-N 1 0 295.379 2.313 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](O)C(C)C ZINC000840968281 639604407 /nfs/dbraw/zinc/60/44/07/639604407.db2.gz QDMIIMHZICAVIO-ZFWWWQNUSA-N 1 0 267.369 2.286 20 10 CECDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000840978245 639607049 /nfs/dbraw/zinc/60/70/49/639607049.db2.gz MQBPYAVYAYLSGJ-OCCSQVGLSA-N 1 0 280.387 2.485 20 10 CECDRO CCOc1ccc(O)c(CNC[C@H]2CCCC[NH2+]2)c1 ZINC000841033613 639627005 /nfs/dbraw/zinc/62/70/05/639627005.db2.gz XSPNCIQHADYEQD-CYBMUJFWSA-N 1 0 264.369 2.023 20 10 CECDRO CCCn1cc(C[NH2+]CCc2ccc(N)cc2)cn1 ZINC000841035395 639627389 /nfs/dbraw/zinc/62/73/89/639627389.db2.gz NJLPVYHWBVXVNK-UHFFFAOYSA-N 1 0 258.369 2.208 20 10 CECDRO CN(C)c1ccc(CN[C@@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000841045278 639631079 /nfs/dbraw/zinc/63/10/79/639631079.db2.gz ROJCHGQXZQSQDQ-LLVKDONJSA-N 1 0 287.329 2.223 20 10 CECDRO C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841065229 639640981 /nfs/dbraw/zinc/64/09/81/639640981.db2.gz ZFOQCLZYMSMPLK-JOYOIKCWSA-N 1 0 254.761 2.133 20 10 CECDRO C[NH2+]Cc1ccc(NCc2cc3c(cc2O)OCO3)cc1 ZINC000841071305 639642439 /nfs/dbraw/zinc/64/24/39/639642439.db2.gz NJWSONXDVFQGAR-UHFFFAOYSA-N 1 0 286.331 2.452 20 10 CECDRO CC[C@@H]([NH3+])CNCc1ccc(N(CC)CC)c(F)c1 ZINC000841073362 639643588 /nfs/dbraw/zinc/64/35/88/639643588.db2.gz WEGUVIVZCBPEKY-CYBMUJFWSA-N 1 0 267.392 2.499 20 10 CECDRO CN(C)c1ccc(/C=C\CN[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000841079605 639648680 /nfs/dbraw/zinc/64/86/80/639648680.db2.gz MHGOOXPNEHYWKK-ABCZVMIZSA-N 1 0 295.377 2.353 20 10 CECDRO CCOc1ccc(CN[C@H]2CCCC[NH2+]C2)c(O)c1 ZINC000841089161 639653253 /nfs/dbraw/zinc/65/32/53/639653253.db2.gz FUGCQTNVQBXMGM-ZDUSSCGKSA-N 1 0 264.369 2.023 20 10 CECDRO c1cc2c(cc1C[NH2+]CCN1CCCC1)CCCO2 ZINC000228828454 639661102 /nfs/dbraw/zinc/66/11/02/639661102.db2.gz OFAPKCKIHCAXFE-UHFFFAOYSA-N 1 0 260.381 2.197 20 10 CECDRO [NH3+][C@@H]1CN(Cc2ccccc2O)C[C@H]1c1ccccc1F ZINC000841103787 639677012 /nfs/dbraw/zinc/67/70/12/639677012.db2.gz KXUZOYAHZSQTTF-GOEBONIOSA-N 1 0 286.350 2.458 20 10 CECDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(N)cc1 ZINC000841297459 639730739 /nfs/dbraw/zinc/73/07/39/639730739.db2.gz PYWUGDSVWKJCBE-UHFFFAOYSA-N 1 0 276.384 2.218 20 10 CECDRO COCCCN1CCC([NH2+]Cc2c(C)cccc2O)CC1 ZINC000876996660 650525385 /nfs/dbraw/zinc/52/53/85/650525385.db2.gz YIMFATPTCFDCPZ-UHFFFAOYSA-N 1 0 292.423 2.291 20 10 CECDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841763236 639860565 /nfs/dbraw/zinc/86/05/65/639860565.db2.gz LMLHXGIXEALYMC-IINYFYTJSA-N 1 0 287.787 2.484 20 10 CECDRO CCC[NH2+]CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841881953 639897743 /nfs/dbraw/zinc/89/77/43/639897743.db2.gz FSEBNJAZXTVQFN-CYBMUJFWSA-N 1 0 292.427 2.112 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)cc1C ZINC000841893232 639901475 /nfs/dbraw/zinc/90/14/75/639901475.db2.gz BXDLIMTZVOKVDA-ZDUSSCGKSA-N 1 0 284.350 2.433 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CC[NH3+] ZINC000841966917 639913414 /nfs/dbraw/zinc/91/34/14/639913414.db2.gz HRXDVXZIDDWZDO-ZDUSSCGKSA-N 1 0 292.427 2.021 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000842007362 639918143 /nfs/dbraw/zinc/91/81/43/639918143.db2.gz SSRNJIGWSGMWAO-QWHCGFSZSA-N 1 0 292.427 2.020 20 10 CECDRO CC(=O)c1cc(F)cc(CN[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1O ZINC000842476090 640074866 /nfs/dbraw/zinc/07/48/66/640074866.db2.gz GHKPCWVEZFYJPI-IQMDTDKHSA-N 1 0 294.370 2.210 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CO[C@H](C)C3)C2)cc1 ZINC000842713887 640156694 /nfs/dbraw/zinc/15/66/94/640156694.db2.gz JYQPDLKOCCQTQD-KFWWJZLASA-N 1 0 290.407 2.289 20 10 CECDRO CO[C@]1(C[NH2+]CCCSc2nccs2)CCOC1 ZINC000877062145 650555636 /nfs/dbraw/zinc/55/56/36/650555636.db2.gz YYLPVLGJCAAOFQ-LBPRGKRZSA-N 1 0 288.438 2.020 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCCc2ncn(C)n2)c(O)c1 ZINC000842904979 640217175 /nfs/dbraw/zinc/21/71/75/640217175.db2.gz WZSMQTMJOWRPGM-ZDUSSCGKSA-N 1 0 288.395 2.421 20 10 CECDRO C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)[NH2+]1 ZINC000843049841 640253513 /nfs/dbraw/zinc/25/35/13/640253513.db2.gz WQRGFJHDQXPQPB-VXGBXAGGSA-N 1 0 265.376 2.074 20 10 CECDRO C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843052785 640255758 /nfs/dbraw/zinc/25/57/58/640255758.db2.gz WEOIMXPFCYTYMB-MNOVXSKESA-N 1 0 252.333 2.091 20 10 CECDRO Cc1cc(O)c(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1C ZINC000843056365 640258082 /nfs/dbraw/zinc/25/80/82/640258082.db2.gz ZTZBJGPBKQQNBD-HNNXBMFYSA-N 1 0 260.381 2.335 20 10 CECDRO Cc1cccc(CN2CC[NH2+]C[C@H]2c2cccnc2)c1O ZINC000843114705 640285560 /nfs/dbraw/zinc/28/55/60/640285560.db2.gz GBCPGIYRRZOTAH-INIZCTEOSA-N 1 0 283.375 2.242 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000843121055 640289035 /nfs/dbraw/zinc/28/90/35/640289035.db2.gz ZRQIXWKNUMMDBC-WHLIDYPQSA-N 1 0 285.435 2.451 20 10 CECDRO CN(C)c1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000843123843 640291283 /nfs/dbraw/zinc/29/12/83/640291283.db2.gz QHIZAQQYPZCVRC-QGZVFWFLSA-N 1 0 291.414 2.467 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000843127713 640294165 /nfs/dbraw/zinc/29/41/65/640294165.db2.gz SIYWXYIARAGREP-ZWNOBZJWSA-N 1 0 266.772 2.229 20 10 CECDRO C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000843129051 640295227 /nfs/dbraw/zinc/29/52/27/640295227.db2.gz LYMHNQONIDBXFC-HTQZYQBOSA-N 1 0 260.740 2.400 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000843128905 640295680 /nfs/dbraw/zinc/29/56/80/640295680.db2.gz YYBLETVZXCMMJT-UKRRQHHQSA-N 1 0 277.387 2.076 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H](C)[C@H]2C[NH3+])c1O ZINC000843353400 640400817 /nfs/dbraw/zinc/40/08/17/640400817.db2.gz HIPLHNNOIJZURT-MEBBXXQBSA-N 1 0 294.370 2.293 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[NH2+][C@@H](C(C)C)C2)c1O ZINC000843376363 640410403 /nfs/dbraw/zinc/41/04/03/640410403.db2.gz AUPNBQMZAWPZBB-OAHLLOKOSA-N 1 0 294.370 2.164 20 10 CECDRO CC(=O)c1cc(F)cc(CN(C)C2(C[NH3+])CCC2)c1O ZINC000843388887 640413679 /nfs/dbraw/zinc/41/36/79/640413679.db2.gz CKOUJXYJQSYPTI-UHFFFAOYSA-N 1 0 280.343 2.047 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1O ZINC000843414958 640420777 /nfs/dbraw/zinc/42/07/77/640420777.db2.gz PBCJMZPKQUSRRI-CQSZACIVSA-N 1 0 284.363 2.177 20 10 CECDRO Cn1cnc(CCC[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC000843419849 640421745 /nfs/dbraw/zinc/42/17/45/640421745.db2.gz BYUNLGASNKUVPZ-UHFFFAOYSA-N 1 0 296.374 2.396 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])[C@@H]1CC[NH3+] ZINC000844901219 640860413 /nfs/dbraw/zinc/86/04/13/640860413.db2.gz FZCVMLSBEXUJPN-SMDDNHRTSA-N 1 0 266.360 2.481 20 10 CECDRO Cc1cccc(C[NH+]2CCC(Cn3cnnc3)CC2)c1O ZINC000846054562 641165296 /nfs/dbraw/zinc/16/52/96/641165296.db2.gz BKPRYZLUGCJKGN-UHFFFAOYSA-N 1 0 286.379 2.204 20 10 CECDRO COc1ccc(O)c(C[NH+]2CCC([C@@H](C)CO)CC2)c1 ZINC000846059141 641167258 /nfs/dbraw/zinc/16/72/58/641167258.db2.gz YVTYHKPPIGPDKL-LBPRGKRZSA-N 1 0 279.380 2.241 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H](C)COCC2CC2)cc1OC ZINC000846072440 641174390 /nfs/dbraw/zinc/17/43/90/641174390.db2.gz GODNDUAOYNPQBA-LLVKDONJSA-N 1 0 295.379 2.314 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CCN2CCCC2=O)c1O ZINC000846085587 641175769 /nfs/dbraw/zinc/17/57/69/641175769.db2.gz HXOQWHRQJOKEFY-UHFFFAOYSA-N 1 0 282.771 2.066 20 10 CECDRO O=C1CCCN1CC[NH2+]Cc1ccc2ccccc2c1O ZINC000846087294 641176432 /nfs/dbraw/zinc/17/64/32/641176432.db2.gz QLIUSDAFQRIXDM-UHFFFAOYSA-N 1 0 284.359 2.257 20 10 CECDRO FC1(F)[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000846109650 641183816 /nfs/dbraw/zinc/18/38/16/641183816.db2.gz GIBRSFJCNYWHAZ-GASCZTMLSA-N 1 0 294.345 2.220 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)C(C)C)c1O ZINC000846145201 641201536 /nfs/dbraw/zinc/20/15/36/641201536.db2.gz NFAHWWSKNLDSKA-JQWIXIFHSA-N 1 0 253.342 2.068 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1O ZINC000846148258 641203328 /nfs/dbraw/zinc/20/33/28/641203328.db2.gz YTDDKLRMDFBLHU-VXGBXAGGSA-N 1 0 276.380 2.288 20 10 CECDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846148219 641203341 /nfs/dbraw/zinc/20/33/41/641203341.db2.gz YDSRANTUMRSIPH-IINYFYTJSA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(C)ncn2)c1O ZINC000846157957 641207093 /nfs/dbraw/zinc/20/70/93/641207093.db2.gz QBANTBPXAGZACO-LLVKDONJSA-N 1 0 273.336 2.350 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCC2(C)OCCO2)c1O ZINC000846161665 641208061 /nfs/dbraw/zinc/20/80/61/641208061.db2.gz ADYWRYQHEGYMGE-NSHDSACASA-N 1 0 281.352 2.205 20 10 CECDRO COCC1([NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846160516 641208197 /nfs/dbraw/zinc/20/81/97/641208197.db2.gz PLVYQTFQGGWTOM-SNVBAGLBSA-N 1 0 251.326 2.230 20 10 CECDRO CCn1ccc(C[NH2+][C@@H](C)c2cccc(OC)c2O)n1 ZINC000846169179 641210664 /nfs/dbraw/zinc/21/06/64/641210664.db2.gz PTZIYOZYMGULKC-NSHDSACASA-N 1 0 275.352 2.468 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1O ZINC000846195042 641219513 /nfs/dbraw/zinc/21/95/13/641219513.db2.gz WVKJTSCSYNDFCO-KKZNHRDASA-N 1 0 282.771 2.269 20 10 CECDRO CCN1C[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2O)CC1=O ZINC000846210271 641223991 /nfs/dbraw/zinc/22/39/91/641223991.db2.gz WVSPHYLSLOHCCI-CHWSQXEVSA-N 1 0 276.380 2.220 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cc2n(n1)CCC2 ZINC000846217668 641225910 /nfs/dbraw/zinc/22/59/10/641225910.db2.gz KVOAFDYMGLCEJO-UHFFFAOYSA-N 1 0 282.391 2.241 20 10 CECDRO c1cn(CCC[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921472525 641288962 /nfs/dbraw/zinc/28/89/62/641288962.db2.gz IZPCNVZRILJTIC-UHFFFAOYSA-N 1 0 271.364 2.388 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000846673984 641386039 /nfs/dbraw/zinc/38/60/39/641386039.db2.gz UMDGGQAEYSRKLL-AWEZNQCLSA-N 1 0 289.423 2.067 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000846676721 641388167 /nfs/dbraw/zinc/38/81/67/641388167.db2.gz IVWFSPNGAGPRTC-COPLHBTASA-N 1 0 292.379 2.096 20 10 CECDRO CCOc1cccc(CN2CCC[C@H](C)[C@H]2C[NH3+])c1O ZINC000250516600 641546808 /nfs/dbraw/zinc/54/68/08/641546808.db2.gz OROJWMQXNUNPKK-GXTWGEPZSA-N 1 0 278.396 2.350 20 10 CECDRO CCOc1cccc(CN2CCC[C@H](C)[C@@H]2C[NH3+])c1O ZINC000070175515 641642051 /nfs/dbraw/zinc/64/20/51/641642051.db2.gz OROJWMQXNUNPKK-JSGCOSHPSA-N 1 0 278.396 2.350 20 10 CECDRO Cc1ccc(C[NH+]2CCN(c3ccnc(C)n3)CC2)c(O)c1 ZINC000877347114 650681783 /nfs/dbraw/zinc/68/17/83/650681783.db2.gz QXYPCTFUBTYXCO-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1O ZINC000183487528 641749614 /nfs/dbraw/zinc/74/96/14/641749614.db2.gz DUAJTAKYAISBJK-KGLIPLIRSA-N 1 0 278.396 2.154 20 10 CECDRO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000183487508 641750261 /nfs/dbraw/zinc/75/02/61/641750261.db2.gz DUAJTAKYAISBJK-KBPBESRZSA-N 1 0 278.396 2.154 20 10 CECDRO C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccccc1O ZINC000183596041 641770977 /nfs/dbraw/zinc/77/09/77/641770977.db2.gz GFJHCBYUTBJBBD-GFCCVEGCSA-N 1 0 284.359 2.384 20 10 CECDRO CCOC(=O)CCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000081545279 641903223 /nfs/dbraw/zinc/90/32/23/641903223.db2.gz WZZFXROHUOCTOG-LLVKDONJSA-N 1 0 281.352 2.395 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2(CO)CCOCC2)c(O)c1 ZINC000186149850 642073517 /nfs/dbraw/zinc/07/35/17/642073517.db2.gz BJOZEORGNYGURP-ZDUSSCGKSA-N 1 0 279.380 2.140 20 10 CECDRO [NH3+]C[C@H](NCc1c([O-])ccc(Cl)c1F)C(F)(F)F ZINC000848714346 642109457 /nfs/dbraw/zinc/10/94/57/642109457.db2.gz ODTGULOROMHADY-QMMMGPOBSA-N 1 0 286.656 2.164 20 10 CECDRO CCc1cccc(C[NH+]2CCN(C3CC3)CC2)c1O ZINC000848881821 642167787 /nfs/dbraw/zinc/16/77/87/642167787.db2.gz UZFZPCIMPBDHPX-UHFFFAOYSA-N 1 0 260.381 2.235 20 10 CECDRO CCc1cccc(C[N@H+](CC)CCC(=O)OC)c1O ZINC000848883418 642169728 /nfs/dbraw/zinc/16/97/28/642169728.db2.gz NDPLCJRUTIDRKK-UHFFFAOYSA-N 1 0 265.353 2.340 20 10 CECDRO CCc1cccc(C[N@H+](C)CCNC(=O)C(C)C)c1O ZINC000848888863 642172985 /nfs/dbraw/zinc/17/29/85/642172985.db2.gz BRTZBMIQHUXCJH-UHFFFAOYSA-N 1 0 278.396 2.159 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)c1O ZINC000848897686 642177154 /nfs/dbraw/zinc/17/71/54/642177154.db2.gz SNFGTDKNLAHRDA-TZMCWYRMSA-N 1 0 276.380 2.088 20 10 CECDRO CCc1cccc(C[NH2+]Cc2ccnc(N(C)C)n2)c1O ZINC000848900608 642179289 /nfs/dbraw/zinc/17/92/89/642179289.db2.gz OJRMKPZIDYRQIJ-UHFFFAOYSA-N 1 0 286.379 2.100 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](CO)c2cccnc2)c1O ZINC000848912181 642186701 /nfs/dbraw/zinc/18/67/01/642186701.db2.gz NRCKNTLYLBPDSU-INIZCTEOSA-N 1 0 286.375 2.215 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000848929080 642198777 /nfs/dbraw/zinc/19/87/77/642198777.db2.gz SKSSLNKIMRTJEZ-CYBMUJFWSA-N 1 0 262.397 2.406 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921555526 642234892 /nfs/dbraw/zinc/23/48/92/642234892.db2.gz DJBRWEMYYPJGBM-ZDUSSCGKSA-N 1 0 290.407 2.406 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC1([S@@](C)=O)CCC1 ZINC000877496189 650750389 /nfs/dbraw/zinc/75/03/89/650750389.db2.gz NWLPHLDCEFAIRN-GOSISDBHSA-N 1 0 267.394 2.091 20 10 CECDRO C[C@H]1CCN(CC[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921805688 642660048 /nfs/dbraw/zinc/66/00/48/642660048.db2.gz HQNSRACDWAQVHX-AWEZNQCLSA-N 1 0 274.408 2.443 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2COC(C)(C)C2)c(O)c1 ZINC000850342004 642673176 /nfs/dbraw/zinc/67/31/76/642673176.db2.gz PDIGATDFVNTWRQ-GFCCVEGCSA-N 1 0 265.353 2.448 20 10 CECDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCOC1 ZINC000850342493 642673510 /nfs/dbraw/zinc/67/35/10/642673510.db2.gz KXOCBXMDPKXCTM-XJKSGUPXSA-N 1 0 296.386 2.033 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1 ZINC000850355818 642679563 /nfs/dbraw/zinc/67/95/63/642679563.db2.gz LUWVGKPCTXOIEG-TYILLQQXSA-N 1 0 281.421 2.480 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](C)C2(CO)CC2)ccc1OC ZINC000850361627 642682178 /nfs/dbraw/zinc/68/21/78/642682178.db2.gz UGOOSKLVOWRXFO-ZDUSSCGKSA-N 1 0 293.407 2.482 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1(CO)CC1 ZINC000850361178 642682276 /nfs/dbraw/zinc/68/22/76/642682276.db2.gz OEOLGOLMUXLNNK-NSHDSACASA-N 1 0 266.360 2.142 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](OCC)C2)c1 ZINC000850360536 642682464 /nfs/dbraw/zinc/68/24/64/642682464.db2.gz KUMRMEYZEHKOPT-MQMHXKEQSA-N 1 0 265.353 2.448 20 10 CECDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850383131 642693690 /nfs/dbraw/zinc/69/36/90/642693690.db2.gz LFFJKAIVWFQKNN-JSGCOSHPSA-N 1 0 266.360 2.406 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCN(C)C(=O)OC)cc1 ZINC000850388650 642695445 /nfs/dbraw/zinc/69/54/45/642695445.db2.gz JBEBUEQPGSYFFV-UHFFFAOYSA-N 1 0 293.411 2.321 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000850388275 642695722 /nfs/dbraw/zinc/69/57/22/642695722.db2.gz KNKLLKZOSCLUBM-LSDHHAIUSA-N 1 0 260.381 2.146 20 10 CECDRO CCCN1CC[C@@H]([NH2+]Cc2ccc(OCC)cc2O)C1 ZINC000850395069 642698815 /nfs/dbraw/zinc/69/88/15/642698815.db2.gz NHBGUXYTMIQCDQ-CQSZACIVSA-N 1 0 278.396 2.365 20 10 CECDRO COc1cc(C[NH2+][C@H]2C[C@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000850417801 642704980 /nfs/dbraw/zinc/70/49/80/642704980.db2.gz MQYBXNDUPMUINL-HAQNSBGRSA-N 1 0 279.380 2.311 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)OC)cc1 ZINC000850550940 642750559 /nfs/dbraw/zinc/75/05/59/642750559.db2.gz RWMVCLZQESSIMS-ZDUSSCGKSA-N 1 0 293.411 2.492 20 10 CECDRO Cc1ccc(C[NH2+]Cc2nnc(C(C)C)[nH]2)c(O)c1 ZINC000877560657 650789315 /nfs/dbraw/zinc/78/93/15/650789315.db2.gz XLIVWMRUNDLKOL-UHFFFAOYSA-N 1 0 260.341 2.232 20 10 CECDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921996796 642831025 /nfs/dbraw/zinc/83/10/25/642831025.db2.gz IHAUCGGDDIVJBJ-WBVHZDCISA-N 1 0 291.391 2.295 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)c(O)c1 ZINC000877569962 650794272 /nfs/dbraw/zinc/79/42/72/650794272.db2.gz BMXFMEZURFZFAY-IBGZPJMESA-N 1 0 281.421 2.434 20 10 CECDRO CO[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCOC1 ZINC000922237512 642974387 /nfs/dbraw/zinc/97/43/87/642974387.db2.gz ZXPCLTOYRHFRJO-RDJZCZTQSA-N 1 0 291.391 2.153 20 10 CECDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(CO)cc1 ZINC000877604015 650809736 /nfs/dbraw/zinc/80/97/36/650809736.db2.gz GVDUJZVZFSAAJJ-UHFFFAOYSA-N 1 0 257.333 2.483 20 10 CECDRO C[C@H](NC(=O)N(C)CC(C)(C)[NH3+])c1ccc(N(C)C)cc1 ZINC000851659649 643110006 /nfs/dbraw/zinc/11/00/06/643110006.db2.gz UDORCTHMEZNLJN-LBPRGKRZSA-N 1 0 292.427 2.192 20 10 CECDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCN1C ZINC000922557472 643127796 /nfs/dbraw/zinc/12/77/96/643127796.db2.gz ORGNJGZIJSACLE-BXUZGUMPSA-N 1 0 265.376 2.074 20 10 CECDRO C[C@H]1[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCN1C ZINC000922557475 643127967 /nfs/dbraw/zinc/12/79/67/643127967.db2.gz ORGNJGZIJSACLE-SMDDNHRTSA-N 1 0 265.376 2.074 20 10 CECDRO CN(C)c1ccc(C[N@H+](C[C@H]2CCC(=O)O2)C2CC2)cc1 ZINC000851732239 643132877 /nfs/dbraw/zinc/13/28/77/643132877.db2.gz MGKGXKUAYXAONX-MRXNPFEDSA-N 1 0 288.391 2.423 20 10 CECDRO C[N@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000851841454 643186952 /nfs/dbraw/zinc/18/69/52/643186952.db2.gz SHOPSRWBEUNGJU-VHDGCEQUSA-N 1 0 288.391 2.271 20 10 CECDRO CCOCCOCC[NH2+]Cc1cc(Cl)ccc1O ZINC000922940123 643461654 /nfs/dbraw/zinc/46/16/54/643461654.db2.gz AAMGSHOFUBNZCY-UHFFFAOYSA-N 1 0 273.760 2.188 20 10 CECDRO OC[C@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000877666827 650841428 /nfs/dbraw/zinc/84/14/28/650841428.db2.gz IPGVHJOSPRYDQK-VDISTLRHSA-N 1 0 257.333 2.406 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCOC2CCOCC2)cc1 ZINC000922937472 643465173 /nfs/dbraw/zinc/46/51/73/643465173.db2.gz SUJGWCQBPIALPJ-UHFFFAOYSA-N 1 0 278.396 2.038 20 10 CECDRO COC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000922949512 643474637 /nfs/dbraw/zinc/47/46/37/643474637.db2.gz HWRAGDRDLIOSSC-LBPRGKRZSA-N 1 0 281.352 2.129 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1nc2c(s1)COCC2 ZINC000922965587 643480530 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CCOc1cccc(C[NH2+][C@H](C)c2ccn(C)n2)c1O ZINC000839189676 644185449 /nfs/dbraw/zinc/18/54/49/644185449.db2.gz BPFGVPZPWZFOTE-LLVKDONJSA-N 1 0 275.352 2.375 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)c1ccccc1O ZINC000877756487 650899084 /nfs/dbraw/zinc/89/90/84/650899084.db2.gz LYGQXXDNSNEZQP-LLVKDONJSA-N 1 0 287.363 2.273 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000877758184 650900271 /nfs/dbraw/zinc/90/02/71/650900271.db2.gz LVXKAIMYSOWZSE-YRRQLQLVSA-N 1 0 263.337 2.240 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)o1)c1ccccc1O ZINC000877758217 650900332 /nfs/dbraw/zinc/90/03/32/650900332.db2.gz NNXOVJDTXGLROJ-JTQLQIEISA-N 1 0 295.360 2.240 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000877779082 650907523 /nfs/dbraw/zinc/90/75/23/650907523.db2.gz YBBBYVZVWOQEMO-GFCCVEGCSA-N 1 0 261.300 2.353 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)c1O ZINC000754726296 644421360 /nfs/dbraw/zinc/42/13/60/644421360.db2.gz NQSHQOHHTMYIHF-OAHLLOKOSA-N 1 0 290.407 2.378 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2cnccn2)c1 ZINC000756493447 644655181 /nfs/dbraw/zinc/65/51/81/644655181.db2.gz FBIBUSJDCNPMLP-NEPJUHHUSA-N 1 0 287.363 2.473 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COCC2CC2)c(O)c1 ZINC000756509357 644657221 /nfs/dbraw/zinc/65/72/21/644657221.db2.gz AWSMBKFZKCYSCE-JSGCOSHPSA-N 1 0 279.380 2.139 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCO[C@H](C)C2)c(O)c1 ZINC000756542567 644660918 /nfs/dbraw/zinc/66/09/18/644660918.db2.gz BIRMEUWWDYKFJB-ZIAGYGMSSA-N 1 0 278.396 2.072 20 10 CECDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000756544550 644662650 /nfs/dbraw/zinc/66/26/50/644662650.db2.gz KDTYWIQAEJZKIF-VXGBXAGGSA-N 1 0 298.814 2.417 20 10 CECDRO CC[S@](=O)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756577949 644671545 /nfs/dbraw/zinc/67/15/45/644671545.db2.gz SYZQGSPMKMDOLZ-KKRWKGTOSA-N 1 0 285.384 2.438 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC2CCCC2)c1 ZINC000756703961 644684506 /nfs/dbraw/zinc/68/45/06/644684506.db2.gz CXPFPMWPLYHTKI-LBPRGKRZSA-N 1 0 276.380 2.410 20 10 CECDRO CCn1cnnc1CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756734732 644688001 /nfs/dbraw/zinc/68/80/01/644688001.db2.gz ZWWDDNDUCQSSKR-GFCCVEGCSA-N 1 0 274.368 2.205 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)C2CC2)c1 ZINC000756740592 644688501 /nfs/dbraw/zinc/68/85/01/644688501.db2.gz SAPXDQBSRZZMIR-QMTHXVAHSA-N 1 0 265.353 2.212 20 10 CECDRO C[C@H]([NH2+][C@@H](CCO)C1CC1)c1cc(F)ccc1O ZINC000756740715 644688651 /nfs/dbraw/zinc/68/86/51/644688651.db2.gz SSJFWUKMVCHBSS-ZANVPECISA-N 1 0 253.317 2.343 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CC2(C)OCCO2)c2c1c(F)ccc2O ZINC000756779898 644691238 /nfs/dbraw/zinc/69/12/38/644691238.db2.gz NSDHUPOEWPAKGD-GXSJLCMTSA-N 1 0 281.327 2.432 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756773635 644691453 /nfs/dbraw/zinc/69/14/53/644691453.db2.gz AMDAVXGQSUOMTN-YUTCNCBUSA-N 1 0 276.380 2.266 20 10 CECDRO CCN(CC)c1ccc(CN(C)[C@@H]2CC[NH2+]C2)cc1F ZINC000843049149 644745510 /nfs/dbraw/zinc/74/55/10/644745510.db2.gz GTNDEQYXBIUNMN-CQSZACIVSA-N 1 0 279.403 2.466 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1O ZINC000857061067 644805408 /nfs/dbraw/zinc/80/54/08/644805408.db2.gz JESXYKHCMCMLIH-WFASDCNBSA-N 1 0 263.381 2.405 20 10 CECDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(C)c(C)cc1O ZINC000757921742 644856889 /nfs/dbraw/zinc/85/68/89/644856889.db2.gz ZZOBACSKBTXRJS-MRXNPFEDSA-N 1 0 295.379 2.067 20 10 CECDRO CN(C)c1cc(F)c(CNC[C@H](C2CC2)[NH+](C)C)cc1F ZINC000858101072 645061606 /nfs/dbraw/zinc/06/16/06/645061606.db2.gz YDBXLVXQPLAKGW-MRXNPFEDSA-N 1 0 297.393 2.461 20 10 CECDRO CN(C)c1cc(F)c(CNC[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000858132194 645070534 /nfs/dbraw/zinc/07/05/34/645070534.db2.gz VZURBURXGJJFMY-LBPRGKRZSA-N 1 0 297.393 2.462 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2COCCN2C)c1O ZINC000858523787 645190699 /nfs/dbraw/zinc/19/06/99/645190699.db2.gz UYDFZGJFTHPRIQ-YPMHNXCESA-N 1 0 298.814 2.335 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000858552343 645198913 /nfs/dbraw/zinc/19/89/13/645198913.db2.gz GKIYXJUTCRJXOM-UXEPBGEESA-N 1 0 291.391 2.071 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCOC2CCOCC2)c1 ZINC000859232157 645431780 /nfs/dbraw/zinc/43/17/80/645431780.db2.gz FVHPAVYKJNQBIS-LBPRGKRZSA-N 1 0 295.379 2.247 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)c1 ZINC000763312392 645532145 /nfs/dbraw/zinc/53/21/45/645532145.db2.gz ANLRUPYASUBCRK-AWEZNQCLSA-N 1 0 290.363 2.036 20 10 CECDRO C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccccc1O ZINC000763558443 645557824 /nfs/dbraw/zinc/55/78/24/645557824.db2.gz PNICNWADXJXHPG-IUODEOHRSA-N 1 0 279.380 2.220 20 10 CECDRO CCOC[C@H]1CN(Cc2ccc(N(C)CC)cc2)CCO1 ZINC000859771814 645599046 /nfs/dbraw/zinc/59/90/46/645599046.db2.gz LFHAGNLFJIWFEO-QGZVFWFLSA-N 1 0 292.423 2.380 20 10 CECDRO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000860177640 645727603 /nfs/dbraw/zinc/72/76/03/645727603.db2.gz VGYVZCPFEPHXPR-QGZVFWFLSA-N 1 0 289.423 2.243 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2COCCO2)cc1 ZINC000765251978 645748025 /nfs/dbraw/zinc/74/80/25/645748025.db2.gz QNJDPNJXUJFXGC-XJKSGUPXSA-N 1 0 278.396 2.209 20 10 CECDRO COC(=O)c1coc([C@H](C)N(C)Cc2ccccc2O)n1 ZINC000878242144 651043540 /nfs/dbraw/zinc/04/35/40/651043540.db2.gz NGUZABDJHHCVAB-JTQLQIEISA-N 1 0 290.319 2.360 20 10 CECDRO Cc1ccc(O)c(C[N@H+](C)CC(=O)NCc2ccco2)c1 ZINC000768195044 646095289 /nfs/dbraw/zinc/09/52/89/646095289.db2.gz JSTWXZZMJHSDOR-UHFFFAOYSA-N 1 0 288.347 2.042 20 10 CECDRO CCCC[N@H+](CCOC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768450550 646125078 /nfs/dbraw/zinc/12/50/78/646125078.db2.gz KGKMNPVRMWXIGG-OAHLLOKOSA-N 1 0 295.379 2.067 20 10 CECDRO CC[C@@]1(C)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464180 646126611 /nfs/dbraw/zinc/12/66/11/646126611.db2.gz OARHNSSODOJADR-ZBFHGGJFSA-N 1 0 277.364 2.440 20 10 CECDRO CC[C@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@H](C)O1 ZINC000769104681 646205682 /nfs/dbraw/zinc/20/56/82/646205682.db2.gz JFXRILSZGVRNPA-RYUDHWBXSA-N 1 0 265.353 2.400 20 10 CECDRO C[NH+](C)C1(C(=O)NCc2ccc3cccnc3c2O)CCC1 ZINC000862026576 646326679 /nfs/dbraw/zinc/32/66/79/646326679.db2.gz SVSLSBKUMOTUNZ-UHFFFAOYSA-N 1 0 299.374 2.041 20 10 CECDRO Oc1ccccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000770511023 646399998 /nfs/dbraw/zinc/39/99/98/646399998.db2.gz VSRFUHIBRWBLFY-UHFFFAOYSA-N 1 0 257.337 2.495 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@@H]1CO ZINC000862336873 646402829 /nfs/dbraw/zinc/40/28/29/646402829.db2.gz MXJLPVKBOOVBDL-ZUZCIYMTSA-N 1 0 284.350 2.234 20 10 CECDRO CC[C@]1(O)CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862334089 646403094 /nfs/dbraw/zinc/40/30/94/646403094.db2.gz YLSYKXCRGBZUNH-HNNXBMFYSA-N 1 0 284.350 2.378 20 10 CECDRO COC[C@H]1CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862376111 646424415 /nfs/dbraw/zinc/42/44/15/646424415.db2.gz GPEVFZSDAIMRLV-SECBINFHSA-N 1 0 286.169 2.375 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c1O ZINC000862428628 646455701 /nfs/dbraw/zinc/45/57/01/646455701.db2.gz SQRVBBFTCKPZGY-ZDUSSCGKSA-N 1 0 296.798 2.407 20 10 CECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000862487862 646478630 /nfs/dbraw/zinc/47/86/30/646478630.db2.gz WVLPKPXISGFUBA-HNNXBMFYSA-N 1 0 288.391 2.494 20 10 CECDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000862488939 646479981 /nfs/dbraw/zinc/47/99/81/646479981.db2.gz VFOKUXPQSREMRX-CYBMUJFWSA-N 1 0 279.311 2.273 20 10 CECDRO CCC(O)(CC)C[N@H+](C)Cc1c(O)cccc1OC ZINC000862538571 646488666 /nfs/dbraw/zinc/48/86/66/646488666.db2.gz ASIMIHRUCTVLKB-UHFFFAOYSA-N 1 0 267.369 2.384 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1O ZINC000862552207 646496704 /nfs/dbraw/zinc/49/67/04/646496704.db2.gz YYSQENNQLCCWCH-OAHLLOKOSA-N 1 0 288.391 2.198 20 10 CECDRO Cc1cc(Br)cc(CN(C)C[C@H](C)[NH3+])c1O ZINC000863652799 646773912 /nfs/dbraw/zinc/77/39/12/646773912.db2.gz XBFLYKJDZATWBS-VIFPVBQESA-N 1 0 287.201 2.242 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc(N(C)C)cc1C ZINC000863646797 646776347 /nfs/dbraw/zinc/77/63/47/646776347.db2.gz OQQHMSVNSYJHBJ-JKSUJKDBSA-N 1 0 261.413 2.291 20 10 CECDRO C[C@@H]1CC[C@@H](NC/C=C\c2ccc(N(C)C)cc2)C[NH2+]1 ZINC000863650592 646777084 /nfs/dbraw/zinc/77/70/84/646777084.db2.gz WASOWMFZVSCUTO-RCELQXLSSA-N 1 0 273.424 2.496 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1O ZINC000775131820 646926194 /nfs/dbraw/zinc/92/61/94/646926194.db2.gz WKFMYZQGNFPONS-ZIAGYGMSSA-N 1 0 287.359 2.483 20 10 CECDRO COC(=O)/C(C)=C\C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000775372003 646946172 /nfs/dbraw/zinc/94/61/72/646946172.db2.gz XMJYWHWPYPVDAF-BRNRAETOSA-N 1 0 279.336 2.171 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)c1 ZINC000775369705 646946478 /nfs/dbraw/zinc/94/64/78/646946478.db2.gz FTCZWILPZSCTBU-QMTHXVAHSA-N 1 0 277.320 2.378 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccccc1O ZINC000775416251 646952552 /nfs/dbraw/zinc/95/25/52/646952552.db2.gz XMMGVVCFTUFQFX-UKRRQHHQSA-N 1 0 279.380 2.220 20 10 CECDRO CC[C@H]([NH2+]Cc1nncn1C)c1cc(Cl)ccc1O ZINC000775491157 646960023 /nfs/dbraw/zinc/96/00/23/646960023.db2.gz AXSQGFYCAWTWKE-NSHDSACASA-N 1 0 280.759 2.415 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccccc1O ZINC000775551290 646965286 /nfs/dbraw/zinc/96/52/86/646965286.db2.gz LZNMFBUBJPAWQW-CABCVRRESA-N 1 0 279.380 2.220 20 10 CECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)c(F)c1)C[C@@H](C)O ZINC000120013123 646981500 /nfs/dbraw/zinc/98/15/00/646981500.db2.gz AXLRIEIKJNRWSU-GFCCVEGCSA-N 1 0 268.376 2.483 20 10 CECDRO C[C@@H]([NH2+]CC(=O)Nc1ccon1)c1ccc(N(C)C)cc1 ZINC000775832677 646997388 /nfs/dbraw/zinc/99/73/88/646997388.db2.gz AABDCHMSLOCMDC-LLVKDONJSA-N 1 0 288.351 2.030 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)[C@@H]1OC ZINC000775979233 647012368 /nfs/dbraw/zinc/01/23/68/647012368.db2.gz SUZRPPOKZBISCK-IMJJTQAJSA-N 1 0 279.380 2.291 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1O ZINC000776770781 647088296 /nfs/dbraw/zinc/08/82/96/647088296.db2.gz CEAMEOORDNILKS-OAHLLOKOSA-N 1 0 277.364 2.320 20 10 CECDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000120534249 647277684 /nfs/dbraw/zinc/27/76/84/647277684.db2.gz RGOGXEUQFWRWQE-ZQIUZPCESA-N 1 0 290.407 2.351 20 10 CECDRO CCOC(=O)CC[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000779003575 647281002 /nfs/dbraw/zinc/28/10/02/647281002.db2.gz VXSGWHRIJOEWED-UHFFFAOYSA-N 1 0 281.327 2.449 20 10 CECDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779011511 647282356 /nfs/dbraw/zinc/28/23/56/647282356.db2.gz FFYBVTHMWWIEMW-AWEZNQCLSA-N 1 0 292.354 2.118 20 10 CECDRO c1cc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc2c1OCC2 ZINC000865691765 647425584 /nfs/dbraw/zinc/42/55/84/647425584.db2.gz FUCIVZHYRFDJEQ-WAXYHTEFSA-N 1 0 271.360 2.135 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)cc1C ZINC000865710704 647434354 /nfs/dbraw/zinc/43/43/54/647434354.db2.gz DIXNTWCMIAEBKS-CABZTGNLSA-N 1 0 277.286 2.410 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1 ZINC000865712134 647434792 /nfs/dbraw/zinc/43/47/92/647434792.db2.gz XEBUDRZUSRFIDP-UFBFGSQYSA-N 1 0 293.285 2.192 20 10 CECDRO Cc1cc(Br)c(O)c(CN2CC[NH2+][C@@H](C)C2)c1 ZINC000781894702 647569277 /nfs/dbraw/zinc/56/92/77/647569277.db2.gz LNOVKRBIUQLJRK-JTQLQIEISA-N 1 0 299.212 2.257 20 10 CECDRO C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc(F)ccc1O ZINC000866413784 647778485 /nfs/dbraw/zinc/77/84/85/647778485.db2.gz WGIARTMOFULALZ-AAEUAGOBSA-N 1 0 296.386 2.027 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC[C@H](O)C(F)F)c1O ZINC000866442013 647788552 /nfs/dbraw/zinc/78/85/52/647788552.db2.gz BRVMZFBYTNFOSC-SCZZXKLOSA-N 1 0 275.295 2.068 20 10 CECDRO CC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1O ZINC000121095982 647812484 /nfs/dbraw/zinc/81/24/84/647812484.db2.gz XMUGRPADFOTJNX-CQSZACIVSA-N 1 0 297.420 2.258 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1C ZINC000787247248 648090044 /nfs/dbraw/zinc/09/00/44/648090044.db2.gz SNGYKTLNQKIRDZ-IAQYHMDHSA-N 1 0 289.375 2.264 20 10 CECDRO CCOc1cccc(C[N@H+](CCOC)[C@H]2CCOC2)c1O ZINC000787333800 648100584 /nfs/dbraw/zinc/10/05/84/648100584.db2.gz CDMYPLUQQNLIBW-AWEZNQCLSA-N 1 0 295.379 2.028 20 10 CECDRO C[C@@H](NC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccccc1O ZINC000868371834 648110519 /nfs/dbraw/zinc/11/05/19/648110519.db2.gz HMXKCWXCBKMMFM-NWDGAFQWSA-N 1 0 291.395 2.235 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCOC[C@@H]2C)c(O)c1 ZINC000788586607 648204986 /nfs/dbraw/zinc/20/49/86/648204986.db2.gz DQHDVJVOQPFDCE-LSDHHAIUSA-N 1 0 292.423 2.380 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@@]2(C)CO)c(O)c1 ZINC000789557787 648317287 /nfs/dbraw/zinc/31/72/87/648317287.db2.gz MVOQNKRKIJECQY-HNNXBMFYSA-N 1 0 265.353 2.138 20 10 CECDRO CC(=O)Nc1ccc(C[NH2+]Cc2cc(F)ccc2O)cn1 ZINC000789752824 648338024 /nfs/dbraw/zinc/33/80/24/648338024.db2.gz STCAVYCWCJVZCE-UHFFFAOYSA-N 1 0 289.310 2.175 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2cc(C)nn2C)c(O)c1 ZINC000790601283 648433854 /nfs/dbraw/zinc/43/38/54/648433854.db2.gz JDXWXHJNNZXJSH-UHFFFAOYSA-N 1 0 275.352 2.123 20 10 CECDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC000790938544 648462901 /nfs/dbraw/zinc/46/29/01/648462901.db2.gz WZKNTPIQJSPKRH-GFCCVEGCSA-N 1 0 255.745 2.248 20 10 CECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CCNc1cnccn1 ZINC000790977249 648467395 /nfs/dbraw/zinc/46/73/95/648467395.db2.gz SNVYUCKZUMMGSY-UHFFFAOYSA-N 1 0 296.733 2.176 20 10 CECDRO Cc1ccncc1C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000793339410 648744658 /nfs/dbraw/zinc/74/46/58/648744658.db2.gz KFRYMKKKAVDMCS-UHFFFAOYSA-N 1 0 286.331 2.456 20 10 CECDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(C)cc2O)CCOC1 ZINC000123157069 648826238 /nfs/dbraw/zinc/82/62/38/648826238.db2.gz DRQKFDKWMQODBT-IUODEOHRSA-N 1 0 265.353 2.157 20 10 CECDRO CCC1([NH+](C)C)CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000870573190 648837526 /nfs/dbraw/zinc/83/75/26/648837526.db2.gz IPLHRIBLNXZWBJ-UHFFFAOYSA-N 1 0 282.409 2.400 20 10 CECDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000870993754 648972922 /nfs/dbraw/zinc/97/29/22/648972922.db2.gz LZVONYNEBSILKT-KRWDZBQOSA-N 1 0 289.423 2.035 20 10 CECDRO C[C@H](C(=O)N1Cc2cccc(O)c2C1)[NH+]1CCCCCC1 ZINC000871202940 649031235 /nfs/dbraw/zinc/03/12/35/649031235.db2.gz PNPOWEVKFVIJMK-CYBMUJFWSA-N 1 0 288.391 2.499 20 10 CECDRO CCN(CC)c1ccc(CNC(=[NH2+])N(C)CCOC)cc1 ZINC000871603798 649117868 /nfs/dbraw/zinc/11/78/68/649117868.db2.gz HWTDADULGBKRDV-UHFFFAOYSA-N 1 0 292.427 2.135 20 10 CECDRO COc1ccc(N2CC[NH+](CC3(O)CCCC3)CC2)cc1 ZINC000019727565 649505601 /nfs/dbraw/zinc/50/56/01/649505601.db2.gz PFTXEOOUTTWHCD-UHFFFAOYSA-N 1 0 290.407 2.122 20 10 CECDRO CCCOc1ccc(C[NH2+]CCNC(=O)C2CC2)cc1C ZINC000873009209 649530526 /nfs/dbraw/zinc/53/05/26/649530526.db2.gz ZDRYVTGEUTZMAW-UHFFFAOYSA-N 1 0 290.407 2.400 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1C ZINC000873036610 649538604 /nfs/dbraw/zinc/53/86/04/649538604.db2.gz UUOQNPJXDLALBO-AWEZNQCLSA-N 1 0 276.380 2.104 20 10 CECDRO CCCOc1ccc(C[NH2+]CC(=O)NCC2CC2)cc1C ZINC000873103773 649559011 /nfs/dbraw/zinc/55/90/11/649559011.db2.gz XBCDUIRJMYWNSP-UHFFFAOYSA-N 1 0 290.407 2.400 20 10 CECDRO C[C@@H]([NH2+]Cc1cccc(F)c1[O-])C1CC[NH2+]CC1 ZINC000873221550 649595951 /nfs/dbraw/zinc/59/59/51/649595951.db2.gz WSRHAQHQIYXSPQ-SNVBAGLBSA-N 1 0 252.333 2.009 20 10 CECDRO COc1ccc(CN[C@]23CCC[C@H]2[NH2+]CC3)cc1C ZINC000873230228 649601254 /nfs/dbraw/zinc/60/12/54/649601254.db2.gz NSKWETAAYFZRQB-CVEARBPZSA-N 1 0 260.381 2.378 20 10 CECDRO CCOc1ccc(CN[C@]23CCC[C@@H]2[NH2+]CC3)c(O)c1 ZINC000873229747 649601428 /nfs/dbraw/zinc/60/14/28/649601428.db2.gz FMCFARBONPJKCR-HOTGVXAUSA-N 1 0 276.380 2.165 20 10 CECDRO C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000127213376 651135739 /nfs/dbraw/zinc/13/57/39/651135739.db2.gz JZPYTDKGJSYDGW-STQMWFEESA-N 1 0 298.452 2.226 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CCO[C@@H]2C)cc1 ZINC000878805375 651189331 /nfs/dbraw/zinc/18/93/31/651189331.db2.gz KTVIJBHXZOJCJC-CABCVRRESA-N 1 0 292.423 2.488 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)[C@@H]1CO ZINC000879365710 651292617 /nfs/dbraw/zinc/29/26/17/651292617.db2.gz ISVLKRSXUQLDSG-CZUORRHYSA-N 1 0 262.397 2.345 20 10 CECDRO CCCCNC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000879651300 651335638 /nfs/dbraw/zinc/33/56/38/651335638.db2.gz QOUZMSSUVFMBKL-LBPRGKRZSA-N 1 0 264.369 2.349 20 10 CECDRO CC(C)[C@@H]([NH3+])c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881270846 651656394 /nfs/dbraw/zinc/65/63/94/651656394.db2.gz CCMYYJIYWRQRAM-OAHLLOKOSA-N 1 0 273.384 2.048 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](O)C(F)F ZINC000883133433 652374356 /nfs/dbraw/zinc/37/43/56/652374356.db2.gz YYABHUZOEBZOGM-GXSJLCMTSA-N 1 0 281.249 2.165 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccoc2)cc1 ZINC000883268354 652418598 /nfs/dbraw/zinc/41/85/98/652418598.db2.gz JDRGDPZKROHMOG-INIZCTEOSA-N 1 0 288.391 2.286 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)c1O ZINC000883273662 652421096 /nfs/dbraw/zinc/42/10/96/652421096.db2.gz QBXLDPVKSHAFNA-IJLUTSLNSA-N 1 0 265.353 2.476 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1CCC3(CCC3)O1)OCO2 ZINC000883364863 652445240 /nfs/dbraw/zinc/44/52/40/652445240.db2.gz PKYBOCMBHNGGIJ-LBPRGKRZSA-N 1 0 291.347 2.312 20 10 CECDRO NC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C1CCCC1 ZINC000132981359 652580481 /nfs/dbraw/zinc/58/04/81/652580481.db2.gz CKKNZULUFCLSAE-UHFFFAOYSA-N 1 0 282.771 2.276 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)ccc1O ZINC000133657491 652698801 /nfs/dbraw/zinc/69/88/01/652698801.db2.gz FKTOXSPDESBFHD-UHFFFAOYSA-N 1 0 284.787 2.346 20 10 CECDRO C[S@](=O)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000134738836 652871171 /nfs/dbraw/zinc/87/11/71/652871171.db2.gz NQYJGAZLPVSKRG-LJQANCHMSA-N 1 0 280.437 2.145 20 10 CECDRO COc1cccc(C[NH2+]CC2(CO)CCCC2)c1O ZINC000135066989 652918731 /nfs/dbraw/zinc/91/87/31/652918731.db2.gz CVFNGPNIEVCGSX-UHFFFAOYSA-N 1 0 265.353 2.043 20 10 CECDRO CC1=NO[C@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000895301431 805795923 /nfs/dbraw/zinc/79/59/23/805795923.db2.gz INPFNIPCHHSIIX-NSHDSACASA-N 1 0 299.168 2.409 20 10 CECDRO COc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c(O)c1 ZINC000093645863 806526986 /nfs/dbraw/zinc/52/69/86/806526986.db2.gz FAFROATWKFOFGU-AWEZNQCLSA-N 1 0 263.337 2.012 20 10 CECDRO C[NH2+]C1CN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001204706842 806541056 /nfs/dbraw/zinc/54/10/56/806541056.db2.gz OERWBOXSLLKQGB-UHFFFAOYSA-N 1 0 298.386 2.375 20 10 CECDRO COC(=O)C[N@H+](Cc1ccc(OC)cc1O)C1CCCC1 ZINC000093707531 806547541 /nfs/dbraw/zinc/54/75/41/806547541.db2.gz BJEODQSXWTVBAV-UHFFFAOYSA-N 1 0 293.363 2.318 20 10 CECDRO C[N@@H+](Cc1cc(F)c(F)cc1[O-])CC1CC[NH+](C)CC1 ZINC001142520772 806614551 /nfs/dbraw/zinc/61/45/51/806614551.db2.gz POBUGMPFGZKZAO-UHFFFAOYSA-N 1 0 284.350 2.444 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC[C@H]1O ZINC001140462895 802937363 /nfs/dbraw/zinc/93/73/63/802937363.db2.gz NPDZMEOTBDZKMQ-BXKDBHETSA-N 1 0 255.745 2.248 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724814795 803495508 /nfs/dbraw/zinc/49/55/08/803495508.db2.gz VPLBGMNMGHCRQS-QMTHXVAHSA-N 1 0 251.301 2.142 20 10 CECDRO COC[C@@H](CC[NH2+][C@H](C)c1ccc(C)cc1O)OC ZINC000694314614 803530866 /nfs/dbraw/zinc/53/08/66/803530866.db2.gz YUGPHVOOLIYGMD-CHWSQXEVSA-N 1 0 267.369 2.403 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)C1CCC1 ZINC000316674868 803712890 /nfs/dbraw/zinc/71/28/90/803712890.db2.gz YKSRNCKHDAGFHT-ZDUSSCGKSA-N 1 0 255.745 2.296 20 10 CECDRO Nc1ccnc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000925768433 804318058 /nfs/dbraw/zinc/31/80/58/804318058.db2.gz UNIPDGJSTZZBQO-ZDUSSCGKSA-N 1 0 255.321 2.147 20 10 CECDRO C[C@H](Cn1ccnc1)[NH2+]Cc1cc(Cl)ccc1O ZINC000037158080 815022058 /nfs/dbraw/zinc/02/20/58/815022058.db2.gz LAGIAIACILYBJX-SNVBAGLBSA-N 1 0 265.744 2.420 20 10 CECDRO CC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000037138428 815026250 /nfs/dbraw/zinc/02/62/50/815026250.db2.gz ZSAKUWZRCGPWEA-UHFFFAOYSA-N 1 0 282.771 2.146 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1)OCO2 ZINC000698872069 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ZINC001236300218 808060630 /nfs/dbraw/zinc/06/06/30/808060630.db2.gz ZUHLCMMLHHZHEO-KWQFWETISA-N 1 0 273.163 2.103 20 10 CECDRO COc1cc(C[N@H+]2CCC[C@@H](OC)C2)c(O)c(OC)c1 ZINC001237674925 808238940 /nfs/dbraw/zinc/23/89/40/808238940.db2.gz NIOLRUJTWFEYGA-GFCCVEGCSA-N 1 0 281.352 2.020 20 10 CECDRO Cc1cc(F)cc(C[N@H+]2C[C@H](CO)CC[C@H]2C)c1O ZINC001238056174 808291129 /nfs/dbraw/zinc/29/11/29/808291129.db2.gz FATOEBGZGVHXPG-VXGBXAGGSA-N 1 0 267.344 2.433 20 10 CECDRO CC1([C@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)OCCO1 ZINC001120269581 815209578 /nfs/dbraw/zinc/20/95/78/815209578.db2.gz USYOUZYLRSERAS-AWEZNQCLSA-N 1 0 276.380 2.244 20 10 CECDRO O=C1CCC2(CC[NH+](Cc3ccccc3O)CC2)O1 ZINC001203556725 808700607 /nfs/dbraw/zinc/70/06/07/808700607.db2.gz WJFICCLUSJHZKX-UHFFFAOYSA-N 1 0 261.321 2.064 20 10 CECDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000921662370 808746683 /nfs/dbraw/zinc/74/66/83/808746683.db2.gz NRKMRUXMUGJDMI-OAHLLOKOSA-N 1 0 298.390 2.016 20 10 CECDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116511788 808832206 /nfs/dbraw/zinc/83/22/06/808832206.db2.gz BMMANIVACGVAGE-GDBMZVCRSA-N 1 0 274.408 2.490 20 10 CECDRO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC001172036424 815275123 /nfs/dbraw/zinc/27/51/23/815275123.db2.gz QCYWIGCHXQZCQC-ZFWWWQNUSA-N 1 0 289.423 2.414 20 10 CECDRO CN1CC[C@@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)C1=O ZINC001273108624 809220429 /nfs/dbraw/zinc/22/04/29/809220429.db2.gz WMVUWGHXRYGYHM-HNNXBMFYSA-N 1 0 294.782 2.100 20 10 CECDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1cc(F)ccc1O ZINC000702450876 809558446 /nfs/dbraw/zinc/55/84/46/809558446.db2.gz MXEITNDFDSWTRP-GRZMOONWSA-N 1 0 253.317 2.343 20 10 CECDRO CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000703545328 809661382 /nfs/dbraw/zinc/66/13/82/809661382.db2.gz FKJRQINPGXOLAG-LBPRGKRZSA-N 1 0 297.420 2.319 20 10 CECDRO CCC[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)OCC ZINC000705343707 809778720 /nfs/dbraw/zinc/77/87/20/809778720.db2.gz NGVRTSUEHFEREL-GFCCVEGCSA-N 1 0 281.352 2.416 20 10 CECDRO CC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(F)c1[O-] ZINC000708413861 809930338 /nfs/dbraw/zinc/93/03/38/809930338.db2.gz ONKLTZKSRSPACY-UHFFFAOYSA-N 1 0 272.339 2.444 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H]2C[C@@H](OC)C2)c1O ZINC000708664677 809932825 /nfs/dbraw/zinc/93/28/25/809932825.db2.gz FFKQMJFPGDOTOQ-BJHJDKERSA-N 1 0 265.353 2.306 20 10 CECDRO CC(C)N(CCC[NH3+])c1ccc2c(c1)[C@H](O)CCO2 ZINC001164127479 810299885 /nfs/dbraw/zinc/29/98/85/810299885.db2.gz XDLGXPALDWXMKC-CQSZACIVSA-N 1 0 264.369 2.066 20 10 CECDRO COC[C@]1(C)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000381361344 810367131 /nfs/dbraw/zinc/36/71/31/810367131.db2.gz KIQLOYHAYDGELG-CQSZACIVSA-N 1 0 253.317 2.390 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCn2cncn2)c(O)c1 ZINC000381677151 810658475 /nfs/dbraw/zinc/65/84/75/810658475.db2.gz IVUCKRVKTQPJHE-LBPRGKRZSA-N 1 0 260.341 2.033 20 10 CECDRO CCC[C@H](C[NH2+]Cc1ccc(OC)cc1O)OC ZINC000378710658 810667569 /nfs/dbraw/zinc/66/75/69/810667569.db2.gz SUQLJLYMEWVYRW-CYBMUJFWSA-N 1 0 253.342 2.306 20 10 CECDRO COc1cc(Cl)cc(CN2CC[NH2+][C@H](C)[C@@H]2C)c1O ZINC000379436604 811033217 /nfs/dbraw/zinc/03/32/17/811033217.db2.gz NIWQTQJGRBGFBX-ZJUUUORDSA-N 1 0 284.787 2.236 20 10 CECDRO CC(C)(CO)[NH2+]Cc1ccc(Br)cc1O ZINC000691418209 811104314 /nfs/dbraw/zinc/10/43/14/811104314.db2.gz YLJFZVXXAQJZLC-UHFFFAOYSA-N 1 0 274.158 2.015 20 10 CECDRO CCN(CC)C(=O)C[C@H](C)[N@H+](C)Cc1ccccc1O ZINC001169483908 811529827 /nfs/dbraw/zinc/52/98/27/811529827.db2.gz HFXXJBIBWDHNCG-ZDUSSCGKSA-N 1 0 278.396 2.471 20 10 CECDRO Oc1cccc2c1C[N@@H+]([C@@H]1CCCC3(C1)OCCO3)CC2 ZINC001169957238 811727534 /nfs/dbraw/zinc/72/75/34/811727534.db2.gz DMUNOLWXSSJAAH-CQSZACIVSA-N 1 0 289.375 2.436 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000691464452 811898514 /nfs/dbraw/zinc/89/85/14/811898514.db2.gz RCQJYNIZBRGBRL-SWLSCSKDSA-N 1 0 263.337 2.058 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(C)=O)C[C@H]2C)cc1C ZINC001048092540 811937198 /nfs/dbraw/zinc/93/71/98/811937198.db2.gz PHKJCIMWJQVKCJ-CZUORRHYSA-N 1 0 290.407 2.208 20 10 CECDRO CCc1cccc(C[NH2+]CC[C@H](C)[S@](C)=O)c1O ZINC000691501581 811966202 /nfs/dbraw/zinc/96/62/02/811966202.db2.gz WQZLSEIRVXKBDI-VOJFVSQTSA-N 1 0 269.410 2.201 20 10 CECDRO O=C(CNc1cccc2c1C[NH2+]CC2)c1ccc(O)c(O)c1 ZINC001170322189 812387201 /nfs/dbraw/zinc/38/72/01/812387201.db2.gz GTJIKFBZUCZZBK-UHFFFAOYSA-N 1 0 298.342 2.038 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)CC2(C)CC2)cc1C ZINC001131477219 812677776 /nfs/dbraw/zinc/67/77/76/812677776.db2.gz MWNQLOKLWVJEMK-UHFFFAOYSA-N 1 0 290.407 2.400 20 10 CECDRO CO[C@H]1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001172922702 815546611 /nfs/dbraw/zinc/54/66/11/815546611.db2.gz GTKCUURWNLXMJC-STQMWFEESA-N 1 0 265.353 2.188 20 10 CECDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206182829 815559034 /nfs/dbraw/zinc/55/90/34/815559034.db2.gz DNVUOKSTUCHPOU-UONOGXRCSA-N 1 0 266.360 2.270 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c(O)c1 ZINC000389071617 813247269 /nfs/dbraw/zinc/24/72/69/813247269.db2.gz MINGBMOHPYURNX-AAEUAGOBSA-N 1 0 265.353 2.306 20 10 CECDRO COc1ccc(C[NH2+][C@H]2COC(C)(C)C2)c(O)c1 ZINC000396522305 813572582 /nfs/dbraw/zinc/57/25/82/813572582.db2.gz GVWBFRUSSPVGPK-LLVKDONJSA-N 1 0 251.326 2.058 20 10 CECDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)nn1 ZINC000396594961 813574518 /nfs/dbraw/zinc/57/45/18/813574518.db2.gz LDCFUSBSRZWWKJ-UHFFFAOYSA-N 1 0 282.391 2.457 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](O)CC[C@H]2C)c1O ZINC000399380155 813709456 /nfs/dbraw/zinc/70/94/56/813709456.db2.gz WHZCRXPGFYUQLV-NOZJJQNGSA-N 1 0 281.327 2.079 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c(O)c1 ZINC001144509462 814098520 /nfs/dbraw/zinc/09/85/20/814098520.db2.gz XBSOBDRCIGSFBV-GFCCVEGCSA-N 1 0 286.331 2.188 20 10 CECDRO CC(C)[N@H+](CCCCCO)Cc1c(O)cc(O)cc1O ZINC001144515554 814100702 /nfs/dbraw/zinc/10/07/02/814100702.db2.gz BNAMGUVEXGKACN-UHFFFAOYSA-N 1 0 283.368 2.176 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CCC1SCCS1)OCO2 ZINC000693774575 814630571 /nfs/dbraw/zinc/63/05/71/814630571.db2.gz AEVOSKGEIABAKE-UHFFFAOYSA-N 1 0 299.417 2.407 20 10 CECDRO CC1(C)CCN(C(=O)c2cccc(O)c2O)CC(C)(C)[NH2+]1 ZINC001124023463 815587794 /nfs/dbraw/zinc/58/77/94/815587794.db2.gz PJALWFMPEOKLLN-UHFFFAOYSA-N 1 0 292.379 2.091 20 10 CECDRO CC(C)CNC(=O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC001116569037 814865581 /nfs/dbraw/zinc/86/55/81/814865581.db2.gz YZVDGZXHPRECKY-CMPLNLGQSA-N 1 0 294.370 2.441 20 10 CECDRO [NH3+][C@@H]1CCN(Cc2c(O)ccc(F)c2Cl)CC[C@H]1F ZINC001206197247 815639370 /nfs/dbraw/zinc/63/93/70/815639370.db2.gz HAXGCVLAWVXRIA-MWLCHTKSSA-N 1 0 290.741 2.446 20 10 CECDRO Cc1c(C[N@@H+]2CCC[C@@H](O)C2)c2ccccc2n1C ZINC001138252446 815754722 /nfs/dbraw/zinc/75/47/22/815754722.db2.gz HQNFQUXTTVWTMK-CYBMUJFWSA-N 1 0 258.365 2.443 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCC4(COC4)C3)ccc21 ZINC001138355026 815775309 /nfs/dbraw/zinc/77/53/09/815775309.db2.gz ZAHMVKXVKBDXOZ-UHFFFAOYSA-N 1 0 272.392 2.291 20 10 CECDRO F[C@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC001138499590 815815870 /nfs/dbraw/zinc/81/58/70/815815870.db2.gz TZUIEOROIYJWJN-XIRDDKMYSA-N 1 0 290.382 2.456 20 10 CECDRO CCOc1cccc(C[N@H+](C)[C@H]2CCCOC2)c1O ZINC000401621916 816020008 /nfs/dbraw/zinc/02/00/08/816020008.db2.gz QXFKYMMSSXIOMJ-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO COc1ccncc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001139609950 816061522 /nfs/dbraw/zinc/06/15/22/816061522.db2.gz BCXXUDYHHXDLSA-UHFFFAOYSA-N 1 0 270.332 2.354 20 10 CECDRO Cc1cc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)ccc1N(C)C ZINC001139672837 816075455 /nfs/dbraw/zinc/07/54/55/816075455.db2.gz IKJUVVSKLDCDRC-GOEBONIOSA-N 1 0 260.381 2.282 20 10 CECDRO Cc1cc(C[N@H+]2CCc3nccn3CC2)ccc1N(C)C ZINC001139674388 816077803 /nfs/dbraw/zinc/07/78/03/816077803.db2.gz XQRGSJJXXCPWEJ-UHFFFAOYSA-N 1 0 284.407 2.316 20 10 CECDRO Cc1cc(C[N@H+](C)Cc2cncnc2)ccc1N(C)C ZINC001139673850 816077990 /nfs/dbraw/zinc/07/79/90/816077990.db2.gz GKRWJTOGLYFVHB-UHFFFAOYSA-N 1 0 270.380 2.483 20 10 CECDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC001140060095 816180678 /nfs/dbraw/zinc/18/06/78/816180678.db2.gz KKMQVOYVFHGTCI-CQSZACIVSA-N 1 0 266.360 2.446 20 10 CECDRO CC(=O)N1CCC2(C[NH+](Cc3c(C)ccc(C)c3O)C2)C1 ZINC001140179859 816204207 /nfs/dbraw/zinc/20/42/07/816204207.db2.gz QIMIGQYKHBWBPJ-UHFFFAOYSA-N 1 0 288.391 2.063 20 10 CECDRO Cc1ccc(C)c(C[N@@H+](C)CCC[NH+](C)C)c1O ZINC001140181586 816205882 /nfs/dbraw/zinc/20/58/82/816205882.db2.gz XKBIDPBBCUSGTR-UHFFFAOYSA-N 1 0 250.386 2.393 20 10 CECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H](CO)CCF ZINC001203011382 816208785 /nfs/dbraw/zinc/20/87/85/816208785.db2.gz GUYPFMFLJCQARU-LBPRGKRZSA-N 1 0 264.344 2.297 20 10 CECDRO O=C1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@H]2CCCN12 ZINC001140342436 816237206 /nfs/dbraw/zinc/23/72/06/816237206.db2.gz JBYGFCUSXADGMW-LLVKDONJSA-N 1 0 294.782 2.242 20 10 CECDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140461633 816259894 /nfs/dbraw/zinc/25/98/94/816259894.db2.gz OFWNYGAJGDVHAT-BXKDBHETSA-N 1 0 255.745 2.391 20 10 CECDRO Cn1cc(C[N@H+](C)Cc2ccc(Cl)cc2O)cn1 ZINC001140461721 816260444 /nfs/dbraw/zinc/26/04/44/816260444.db2.gz RXBBLEBDQMHLJV-UHFFFAOYSA-N 1 0 265.744 2.411 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2O)CC12CC2 ZINC001140624304 816308860 /nfs/dbraw/zinc/30/88/60/816308860.db2.gz PXGSKOUARJXASR-ZDUSSCGKSA-N 1 0 275.348 2.086 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c1O ZINC001140741692 816338066 /nfs/dbraw/zinc/33/80/66/816338066.db2.gz AQQCVZQDOVIYEP-OAHLLOKOSA-N 1 0 283.343 2.093 20 10 CECDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140744190 816340057 /nfs/dbraw/zinc/34/00/57/816340057.db2.gz OQFYUWRVWWUOML-CYBMUJFWSA-N 1 0 265.353 2.407 20 10 CECDRO Cc1c(O)ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c1O ZINC001140745994 816340430 /nfs/dbraw/zinc/34/04/30/816340430.db2.gz RTPZPPFTHMEWAR-AWEZNQCLSA-N 1 0 276.380 2.076 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c(O)c1 ZINC001140850818 816382817 /nfs/dbraw/zinc/38/28/17/816382817.db2.gz VNPIRZRPYDVZSE-CXAGYDPISA-N 1 0 292.423 2.441 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c(O)c1 ZINC001140850981 816382939 /nfs/dbraw/zinc/38/29/39/816382939.db2.gz XMSVDNFYMWVELY-CZUORRHYSA-N 1 0 292.423 2.441 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c(O)c1 ZINC001140856046 816383104 /nfs/dbraw/zinc/38/31/04/816383104.db2.gz PVKKZEXCUSPWOP-WMLDXEAASA-N 1 0 290.407 2.459 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)OC)c(O)c1 ZINC001140856781 816383795 /nfs/dbraw/zinc/38/37/95/816383795.db2.gz HWNNGCRELMENFO-UHFFFAOYSA-N 1 0 294.395 2.233 20 10 CECDRO Cc1ccc(C[NH+]2CCC3(CC(=O)CO3)CC2)c(O)c1 ZINC001140947722 816422559 /nfs/dbraw/zinc/42/25/59/816422559.db2.gz CPBJBXWBTHDYSP-UHFFFAOYSA-N 1 0 275.348 2.025 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140957537 816425821 /nfs/dbraw/zinc/42/58/21/816425821.db2.gz CYGPMPGBTWUTRP-ZDUSSCGKSA-N 1 0 277.364 2.476 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(OC)c1 ZINC001141029582 816450339 /nfs/dbraw/zinc/45/03/39/816450339.db2.gz WQGKODYMWWDVAB-CNDDSTCGSA-N 1 0 281.327 2.057 20 10 CECDRO COCC1CC[NH+](Cc2c(O)cc(OC)cc2OC)CC1 ZINC001141031882 816453005 /nfs/dbraw/zinc/45/30/05/816453005.db2.gz NLZCAQZLJHKASS-UHFFFAOYSA-N 1 0 295.379 2.268 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@@H]1O ZINC001141139771 816483771 /nfs/dbraw/zinc/48/37/71/816483771.db2.gz BGCFNZOZTNVBRN-CJNGLKHVSA-N 1 0 290.407 2.108 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)[C@@H]1CO ZINC001141141082 816485321 /nfs/dbraw/zinc/48/53/21/816485321.db2.gz TWYMRPVOEDYWGZ-XJKSGUPXSA-N 1 0 290.407 2.108 20 10 CECDRO C[N@@H+](Cc1cc(O)ccc1O)C[C@H]1CCCCO1 ZINC001141159186 816490283 /nfs/dbraw/zinc/49/02/83/816490283.db2.gz BLECUQGEISXXDX-CYBMUJFWSA-N 1 0 251.326 2.099 20 10 CECDRO CN(C)c1ccc(C[NH2+]C2(CO)CCSCC2)cc1F ZINC000839177354 816567003 /nfs/dbraw/zinc/56/70/03/816567003.db2.gz KDVCMFMOQGSCGL-UHFFFAOYSA-N 1 0 298.427 2.239 20 10 CECDRO Cc1cc(O)c(C[NH2+]C2(CO)CCSCC2)cc1C ZINC000839178037 816567576 /nfs/dbraw/zinc/56/75/76/816567576.db2.gz YONNMHAWGUYCFV-UHFFFAOYSA-N 1 0 281.421 2.357 20 10 CECDRO CC(=O)NCC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000054517151 343590988 /nfs/dbraw/zinc/59/09/88/343590988.db2.gz LFDGOFKCEYTKGR-UHFFFAOYSA-N 1 0 290.407 2.357 20 10 CECDRO CC(C)C[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000065960956 343704853 /nfs/dbraw/zinc/70/48/53/343704853.db2.gz LUVPTVABGWTNCO-UHFFFAOYSA-N 1 0 291.439 2.299 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000091898572 344173805 /nfs/dbraw/zinc/17/38/05/344173805.db2.gz GOKUTTBQEJZCTI-ZBFHGGJFSA-N 1 0 262.397 2.345 20 10 CECDRO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000092971143 344209013 /nfs/dbraw/zinc/20/90/13/344209013.db2.gz QXEVBMPBHNAJEH-XJKSGUPXSA-N 1 0 262.397 2.488 20 10 CECDRO CCCN(CC(=O)OC)Cc1cc(OCC)ccc1O ZINC000178871067 344504480 /nfs/dbraw/zinc/50/44/80/344504480.db2.gz WWYYLVVCKUZLIY-UHFFFAOYSA-N 1 0 281.352 2.176 20 10 CECDRO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000237139455 370692906 /nfs/dbraw/zinc/69/29/06/370692906.db2.gz KUVCEPVVTPMWCL-KRWDZBQOSA-N 1 0 297.402 2.230 20 10 CECDRO CCOc1cccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1O ZINC000156077821 366827043 /nfs/dbraw/zinc/82/70/43/366827043.db2.gz HMAXXAGWXZGUCV-ZFWWWQNUSA-N 1 0 290.407 2.459 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1 ZINC000092018209 364075694 /nfs/dbraw/zinc/07/56/94/364075694.db2.gz FYCAOYSGLMRZAK-NWDGAFQWSA-N 1 0 265.353 2.400 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCN(c3cccnn3)CC2)cc1C ZINC000170638935 367389991 /nfs/dbraw/zinc/38/99/91/367389991.db2.gz LXMHHBKQLUVFRJ-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C2(CO)CCC2)c1O ZINC000169093957 367365264 /nfs/dbraw/zinc/36/52/64/367365264.db2.gz ZLZZQEVMRZOXTN-UHFFFAOYSA-N 1 0 271.744 2.059 20 10 CECDRO CC(C)OCC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180185252 368371343 /nfs/dbraw/zinc/37/13/43/368371343.db2.gz CYLLGHBENIEDLD-UHFFFAOYSA-N 1 0 296.386 2.074 20 10 CECDRO COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000179806919 368351826 /nfs/dbraw/zinc/35/18/26/368351826.db2.gz DSVBDZOEMFUESH-ZDUSSCGKSA-N 1 0 263.337 2.228 20 10 CECDRO Cn1cnnc1C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179940274 368360157 /nfs/dbraw/zinc/36/01/57/368360157.db2.gz UXBKIDFGUIINEV-UHFFFAOYSA-N 1 0 290.342 2.039 20 10 CECDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000184569022 368703884 /nfs/dbraw/zinc/70/38/84/368703884.db2.gz LMUCOYQKLYPMFG-ZJUUUORDSA-N 1 0 269.316 2.209 20 10 CECDRO CO[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188107084 369297310 /nfs/dbraw/zinc/29/73/10/369297310.db2.gz MTIOLXGPGOMBSG-CHWSQXEVSA-N 1 0 296.386 2.348 20 10 CECDRO CC[C@]1(CO)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000190216823 369605687 /nfs/dbraw/zinc/60/56/87/369605687.db2.gz LBJYJOMRLBCRIX-INIZCTEOSA-N 1 0 293.363 2.105 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192026913 369765256 /nfs/dbraw/zinc/76/52/56/369765256.db2.gz DFRKFSOZBAYXEJ-VXGBXAGGSA-N 1 0 264.369 2.114 20 10 CECDRO CCOCCOCC[N@H+](C)Cc1cc(F)ccc1O ZINC000191570185 369723038 /nfs/dbraw/zinc/72/30/38/369723038.db2.gz UIMAHGZMZHFKPM-UHFFFAOYSA-N 1 0 271.332 2.016 20 10 CECDRO CCOCc1cc(C[NH2+]CCCCO)ccc1OC ZINC000193249179 369911435 /nfs/dbraw/zinc/91/14/35/369911435.db2.gz NHYSJZULCBKDDN-UHFFFAOYSA-N 1 0 267.369 2.094 20 10 CECDRO [NH3+][C@@H]1CC=C(C(=O)N2CCN(C3CC3)c3ccccc32)C1 ZINC000638284737 370422515 /nfs/dbraw/zinc/42/25/15/370422515.db2.gz CNIZYRJIJBBXMX-CYBMUJFWSA-N 1 0 283.375 2.050 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC3(CCOC3=O)CC2)cc1 ZINC000359867922 371490875 /nfs/dbraw/zinc/49/08/75/371490875.db2.gz HDBJGRQLQFBXKG-UHFFFAOYSA-N 1 0 288.391 2.282 20 10 CECDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC000359998166 371498162 /nfs/dbraw/zinc/49/81/62/371498162.db2.gz VUVUZGRXRVHBEB-NNQSOWQGSA-N 1 0 265.328 2.409 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)cc1 ZINC000268899178 372278556 /nfs/dbraw/zinc/27/85/56/372278556.db2.gz ZPUMCZSUWPLJEP-GXTWGEPZSA-N 1 0 275.396 2.024 20 10 CECDRO COc1ccc(O)c([C@H](C)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000364638705 372778781 /nfs/dbraw/zinc/77/87/81/372778781.db2.gz SAHJMJZJFVWDOS-HEHGZKQESA-N 1 0 290.407 2.488 20 10 CECDRO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000366489494 373067768 /nfs/dbraw/zinc/06/77/68/373067768.db2.gz POGFJUPFLHSUOD-PBHICJAKSA-N 1 0 291.391 2.471 20 10 CECDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271043252 373086372 /nfs/dbraw/zinc/08/63/72/373086372.db2.gz OPQHTWZDDJWVML-MRXNPFEDSA-N 1 0 260.381 2.244 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)C2)cc1OC ZINC000271112968 373125819 /nfs/dbraw/zinc/12/58/19/373125819.db2.gz UWEFHPWJAMGNEA-SNVBAGLBSA-N 1 0 251.326 2.251 20 10 CECDRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1O ZINC000271194166 373174369 /nfs/dbraw/zinc/17/43/69/373174369.db2.gz HICVXOAMHWCAET-OAHLLOKOSA-N 1 0 275.323 2.225 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1OC ZINC000271788298 373199679 /nfs/dbraw/zinc/19/96/79/373199679.db2.gz GENFNCITGGZWHE-AULYBMBSSA-N 1 0 295.379 2.050 20 10 CECDRO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(F)ccc1O ZINC000273478916 373760163 /nfs/dbraw/zinc/76/01/63/373760163.db2.gz LLYQEOFBYVYROF-CPCISQLKSA-N 1 0 281.249 2.495 20 10 CECDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(F)ccc1O ZINC000273478919 373760330 /nfs/dbraw/zinc/76/03/30/373760330.db2.gz LLYQEOFBYVYROF-HQJQHLMTSA-N 1 0 281.249 2.495 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCS(C)(=O)=O)c(O)c1C ZINC000273601727 373766256 /nfs/dbraw/zinc/76/62/56/373766256.db2.gz SBAKNRRZLAFCTM-GFCCVEGCSA-N 1 0 285.409 2.094 20 10 CECDRO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccccc1O ZINC000371684849 373948654 /nfs/dbraw/zinc/94/86/54/373948654.db2.gz HWDKZKIOBPISDL-JQWIXIFHSA-N 1 0 257.337 2.323 20 10 CECDRO COC[C@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000371796193 373981656 /nfs/dbraw/zinc/98/16/56/373981656.db2.gz LINIHIHSULBFTC-ZDUSSCGKSA-N 1 0 278.396 2.289 20 10 CECDRO COc1ccc(O)c([C@H](C)[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000372590890 374163576 /nfs/dbraw/zinc/16/35/76/374163576.db2.gz GTCOYTZCWNGZMW-NWDGAFQWSA-N 1 0 288.351 2.000 20 10 CECDRO CCCC[N@H+](CC(=O)NC1CC1)Cc1ccccc1O ZINC000282497292 375498390 /nfs/dbraw/zinc/49/83/90/375498390.db2.gz QNPHYLGJAYGMQN-UHFFFAOYSA-N 1 0 276.380 2.273 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2(O)CCC2)c1 ZINC000284410880 375828135 /nfs/dbraw/zinc/82/81/35/375828135.db2.gz QMMZTVWZUCVIHX-LLVKDONJSA-N 1 0 265.353 2.357 20 10 CECDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000289598840 376414634 /nfs/dbraw/zinc/41/46/34/376414634.db2.gz NOQWAYROHCHYTJ-OAHLLOKOSA-N 1 0 261.365 2.262 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1COc3ccccc31)OCO2 ZINC000288434349 376377501 /nfs/dbraw/zinc/37/75/01/376377501.db2.gz BUHSOLFETWJCML-GFCCVEGCSA-N 1 0 299.326 2.387 20 10 CECDRO CN(CC[NH+](C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293951950 377845309 /nfs/dbraw/zinc/84/53/09/377845309.db2.gz PDFHSCQOXKWCCN-UHFFFAOYSA-N 1 0 260.740 2.178 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c(O)c1 ZINC000294450958 377988764 /nfs/dbraw/zinc/98/87/64/377988764.db2.gz VQBGGTMAUSDHGO-MCIONIFRSA-N 1 0 279.380 2.200 20 10 CECDRO C[C@@H]1CN(Cc2cc(F)ccc2O)CC[N@@H+](C2CC2)C1 ZINC000294657115 378002922 /nfs/dbraw/zinc/00/29/22/378002922.db2.gz ADOMATJLXLHOHZ-GFCCVEGCSA-N 1 0 278.371 2.447 20 10 CECDRO CC[C@@H](CO)[N@H+](C)Cc1cc(Br)ccc1O ZINC000295210029 378052925 /nfs/dbraw/zinc/05/29/25/378052925.db2.gz ZYWMEYNDBIOWRI-NSHDSACASA-N 1 0 288.185 2.357 20 10 CECDRO C[C@H]1CN(C2CC2)CC[N@H+](Cc2ccccc2O)C1 ZINC000295576028 378219045 /nfs/dbraw/zinc/21/90/45/378219045.db2.gz BAHLUNSBESVMCM-CYBMUJFWSA-N 1 0 260.381 2.308 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)c1O ZINC000527800917 379817676 /nfs/dbraw/zinc/81/76/76/379817676.db2.gz QQCYYAYQKQDRSZ-HIFRSBDPSA-N 1 0 265.353 2.446 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)c(O)c1 ZINC000185639116 262063500 /nfs/dbraw/zinc/06/35/00/262063500.db2.gz WKHGAAJWXDBJEL-RISCZKNCSA-N 1 0 267.394 2.219 20 10 CECDRO Cc1cc(C[NH2+][C@@H](C)Cn2cccn2)ccc1N(C)C ZINC000274353965 291898472 /nfs/dbraw/zinc/89/84/72/291898472.db2.gz IQJBJIRUQPIRJB-AWEZNQCLSA-N 1 0 272.396 2.436 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC000311738964 262340317 /nfs/dbraw/zinc/34/03/17/262340317.db2.gz AZEBJCQABNAVEP-HNNXBMFYSA-N 1 0 263.337 2.156 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN2CCOCC2)c1 ZINC000036933344 260052998 /nfs/dbraw/zinc/05/29/98/260052998.db2.gz DVJPPXAUASXYHM-KGLIPLIRSA-N 1 0 278.396 2.072 20 10 CECDRO C[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2O)OCO3)CCN1C ZINC000093644861 394668679 /nfs/dbraw/zinc/66/86/79/394668679.db2.gz JWHJZSQMYWCVBL-DGCLKSJQSA-N 1 0 292.379 2.035 20 10 CECDRO COc1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1C ZINC000270459328 394734622 /nfs/dbraw/zinc/73/46/22/394734622.db2.gz FKYZMERGWQYBOQ-GFCCVEGCSA-N 1 0 277.286 2.407 20 10 CECDRO COCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000109761938 394735393 /nfs/dbraw/zinc/73/53/93/394735393.db2.gz DZDJCIBAIWPVCK-CQSZACIVSA-N 1 0 265.353 2.020 20 10 CECDRO CC[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccccc1O ZINC000282504008 394920168 /nfs/dbraw/zinc/92/01/68/394920168.db2.gz YIXAUYMSDLWTMN-XIKOKIGWSA-N 1 0 267.394 2.344 20 10 CECDRO CC[N@H+](CCO)Cc1cc(Br)cc(C)c1O ZINC000132477200 394931564 /nfs/dbraw/zinc/93/15/64/394931564.db2.gz NDJGYBRCMODVFW-UHFFFAOYSA-N 1 0 288.185 2.277 20 10 CECDRO COc1ccc(N2CCC([NH2+]C[C@@H](C)CCO)CC2)cc1 ZINC000151918721 394981231 /nfs/dbraw/zinc/98/12/31/394981231.db2.gz MUNFYKBDKJIFFV-AWEZNQCLSA-N 1 0 292.423 2.272 20 10 CECDRO [O-]c1c(F)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158824046 395054665 /nfs/dbraw/zinc/05/46/65/395054665.db2.gz IFMFNZZBJDLUIJ-QWHCGFSZSA-N 1 0 264.344 2.248 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000373152003 395055893 /nfs/dbraw/zinc/05/58/93/395055893.db2.gz IEDFCDHVYTXQLM-GDBMZVCRSA-N 1 0 277.364 2.128 20 10 CECDRO COc1ccc(N2CCC[N@H+](C[C@@H](O)C(C)C)CC2)cc1 ZINC000374093271 395073448 /nfs/dbraw/zinc/07/34/48/395073448.db2.gz IEUXLFALACLCOV-QGZVFWFLSA-N 1 0 292.423 2.224 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC1(C)C ZINC000374255579 395077639 /nfs/dbraw/zinc/07/76/39/395077639.db2.gz KHMVHWOWLVZUNA-HNNXBMFYSA-N 1 0 290.407 2.384 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372493045 395042200 /nfs/dbraw/zinc/04/22/00/395042200.db2.gz UFTSUVWYZNMDJU-RHSMWYFYSA-N 1 0 288.391 2.130 20 10 CECDRO C[C@H]1C[C@@H](NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000174514753 395124992 /nfs/dbraw/zinc/12/49/92/395124992.db2.gz WBWVGKFYQJODSP-JSGCOSHPSA-N 1 0 279.403 2.464 20 10 CECDRO C[C@H]([NH2+]CC1(C)OCCO1)c1ccc(N(C)C)cc1 ZINC000179571791 395197315 /nfs/dbraw/zinc/19/73/15/395197315.db2.gz HAPPCHDEVCPGGU-LBPRGKRZSA-N 1 0 264.369 2.166 20 10 CECDRO Oc1cc2c(cc1C[N@H+]1CC[C@@H](O)C13CCCC3)OCO2 ZINC000293983909 395261722 /nfs/dbraw/zinc/26/17/22/395261722.db2.gz RNUBQNIZACHVMZ-OAHLLOKOSA-N 1 0 291.347 2.000 20 10 CECDRO COc1cccc(C[N@H+](C)Cc2ccncc2)c1O ZINC000183747840 395262246 /nfs/dbraw/zinc/26/22/46/395262246.db2.gz QUHKGYXMRSDOLM-UHFFFAOYSA-N 1 0 258.321 2.428 20 10 CECDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000193886358 395417985 /nfs/dbraw/zinc/41/79/85/395417985.db2.gz HNBOMDFUJUJMDN-GRYCIOLGSA-N 1 0 263.337 2.385 20 10 CECDRO COCCOCCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000020192273 171058325 /nfs/dbraw/zinc/05/83/25/171058325.db2.gz DWAXDNZPTDWLGM-LBPRGKRZSA-N 1 0 283.368 2.105 20 10 CECDRO C[C@H]([NH2+]CCOCCO)c1ccc2ccccc2c1O ZINC000020198674 171062357 /nfs/dbraw/zinc/06/23/57/171062357.db2.gz XCTMEPANSSDTEG-LBPRGKRZSA-N 1 0 275.348 2.205 20 10 CECDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035259086 172092144 /nfs/dbraw/zinc/09/21/44/172092144.db2.gz KKVRTXUUDVVEJH-CYBMUJFWSA-N 1 0 258.369 2.127 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000038044458 174052308 /nfs/dbraw/zinc/05/23/08/174052308.db2.gz SIJHLOKGYHEZKR-INIZCTEOSA-N 1 0 290.407 2.039 20 10 CECDRO COCCOCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296080891 292578118 /nfs/dbraw/zinc/57/81/18/292578118.db2.gz SNLXEEHYUDXIDZ-ZDUSSCGKSA-N 1 0 265.353 2.022 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)c1cc(F)ccc1O ZINC000367177467 227052790 /nfs/dbraw/zinc/05/27/90/227052790.db2.gz ALOXNNZVIFVWAT-GDLCADMTSA-N 1 0 292.354 2.335 20 10 CECDRO COC(=O)N1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000154099753 261087399 /nfs/dbraw/zinc/08/73/99/261087399.db2.gz PBIJJJZNTZLALX-LLVKDONJSA-N 1 0 278.352 2.274 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)CC1(O)CCOCC1 ZINC000154157695 261088328 /nfs/dbraw/zinc/08/83/28/261088328.db2.gz IYHUACSWRWDBPK-UHFFFAOYSA-N 1 0 279.380 2.146 20 10 CECDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000155575523 261103870 /nfs/dbraw/zinc/10/38/70/261103870.db2.gz BDQHQHNQOLVWLL-AWEZNQCLSA-N 1 0 276.380 2.049 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000156730992 261130231 /nfs/dbraw/zinc/13/02/31/261130231.db2.gz KZRWFNNEIUIEDP-CYBMUJFWSA-N 1 0 276.380 2.130 20 10 CECDRO COC(=O)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000159213487 261181094 /nfs/dbraw/zinc/18/10/94/261181094.db2.gz QWXONPRJXNGBJJ-UHFFFAOYSA-N 1 0 283.755 2.431 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCS[C@H](C)C2)cc1OC ZINC000160145063 261205978 /nfs/dbraw/zinc/20/59/78/261205978.db2.gz JDZQSQLIKGLJFN-SNVBAGLBSA-N 1 0 283.393 2.347 20 10 CECDRO COc1cc(O)c(C[N@H+](C)C2CCC2)cc1OC ZINC000160298223 261210266 /nfs/dbraw/zinc/21/02/66/261210266.db2.gz RHGDLDBHKKYLCV-UHFFFAOYSA-N 1 0 251.326 2.394 20 10 CECDRO COc1ccc(N2CC[NH+](CCCCCCO)CC2)cc1 ZINC000175739954 261243508 /nfs/dbraw/zinc/24/35/08/261243508.db2.gz NPRQCFISICMDEQ-UHFFFAOYSA-N 1 0 292.423 2.370 20 10 CECDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000178371491 261388193 /nfs/dbraw/zinc/38/81/93/261388193.db2.gz JTYFOKPCNGQMAY-XJKSGUPXSA-N 1 0 280.412 2.191 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1 ZINC000179464075 261788379 /nfs/dbraw/zinc/78/83/79/261788379.db2.gz ZKPKSOLIFBMLOS-MRXNPFEDSA-N 1 0 285.395 2.181 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000367437326 262026954 /nfs/dbraw/zinc/02/69/54/262026954.db2.gz INHNPHHGCOZIJU-FABXCBLPSA-N 1 0 288.391 2.408 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)c(O)c1 ZINC000184889042 262032609 /nfs/dbraw/zinc/03/26/09/262032609.db2.gz PFXVIGNLQFLYJC-CYBMUJFWSA-N 1 0 276.380 2.364 20 10 CECDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000184895968 262032635 /nfs/dbraw/zinc/03/26/35/262032635.db2.gz SARQKSUMVLJXGC-VIFPVBQESA-N 1 0 270.760 2.221 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c(O)c1 ZINC000185505330 262058157 /nfs/dbraw/zinc/05/81/57/262058157.db2.gz CFFYKTKPCBHKPE-GJZGRUSLSA-N 1 0 292.423 2.320 20 10 CECDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186030283 262076272 /nfs/dbraw/zinc/07/62/72/262076272.db2.gz JRNQKXLOSYITFV-VXGBXAGGSA-N 1 0 285.409 2.174 20 10 CECDRO CC[C@@H]([NH2+]CC1(C)OCCO1)c1ccccc1O ZINC000186306945 262088026 /nfs/dbraw/zinc/08/80/26/262088026.db2.gz FTMBTTZBPKGSIL-GFCCVEGCSA-N 1 0 251.326 2.196 20 10 CECDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186354428 262090256 /nfs/dbraw/zinc/09/02/56/262090256.db2.gz JAGYRFXRLKIKFI-SNVBAGLBSA-N 1 0 282.359 2.344 20 10 CECDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186354411 262090459 /nfs/dbraw/zinc/09/04/59/262090459.db2.gz JAGYRFXRLKIKFI-JTQLQIEISA-N 1 0 282.359 2.344 20 10 CECDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000186531648 262097505 /nfs/dbraw/zinc/09/75/05/262097505.db2.gz XOATZADZMHVLLI-AAOUONPWSA-N 1 0 285.771 2.471 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2ccccc2O)CC1(C)C ZINC000368593379 262126841 /nfs/dbraw/zinc/12/68/41/262126841.db2.gz SQVFZUYOPFEVNH-GFCCVEGCSA-N 1 0 263.337 2.023 20 10 CECDRO CCCOc1ccc(C[NH2+]CC2(C)OCCCO2)c(O)c1 ZINC000192251097 262200890 /nfs/dbraw/zinc/20/08/90/262200890.db2.gz ZCEIMYBZZYLWGR-UHFFFAOYSA-N 1 0 295.379 2.424 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN2C)c1 ZINC000185141884 262302992 /nfs/dbraw/zinc/30/29/92/262302992.db2.gz TWXDGJBHYKEHIE-NWDGAFQWSA-N 1 0 264.369 2.146 20 10 CECDRO Cc1cc(C[N@@H+](C)CC[C@@H](C)O)ccc1N(C)C ZINC000292718273 263134283 /nfs/dbraw/zinc/13/42/83/263134283.db2.gz FPWJKXDGLMEVBZ-CYBMUJFWSA-N 1 0 250.386 2.264 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000369216012 267225990 /nfs/dbraw/zinc/22/59/90/267225990.db2.gz RHWMNUFDQSTMOI-GXFFZTMASA-N 1 0 251.301 2.142 20 10 CECDRO Cc1cccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1O ZINC000369799177 267266265 /nfs/dbraw/zinc/26/62/65/267266265.db2.gz KUVDWEKZVANOAC-UHFFFAOYSA-N 1 0 288.391 2.145 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000371141421 267354644 /nfs/dbraw/zinc/35/46/44/267354644.db2.gz YPWUDKQIMIERFE-CQSZACIVSA-N 1 0 270.380 2.123 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@@H](O)C(F)F ZINC000296493892 276593269 /nfs/dbraw/zinc/59/32/69/276593269.db2.gz OTRCHNQAGJIQCN-OUJBWJOFSA-N 1 0 271.307 2.374 20 10 CECDRO COC(=O)N1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000295962254 277333609 /nfs/dbraw/zinc/33/36/09/277333609.db2.gz MCWOWEPKKXMGEQ-ZDUSSCGKSA-N 1 0 290.363 2.200 20 10 CECDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)N(C)C1CC1 ZINC000297776129 277589215 /nfs/dbraw/zinc/58/92/15/277589215.db2.gz PLLHELHKQBBQFV-FZMZJTMJSA-N 1 0 260.381 2.452 20 10 CECDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000131276075 280348068 /nfs/dbraw/zinc/34/80/68/280348068.db2.gz WWQDPRRVXYHHOF-SWLSCSKDSA-N 1 0 250.386 2.420 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1 ZINC000228089692 295168483 /nfs/dbraw/zinc/16/84/83/295168483.db2.gz LQJBFODDOCXRIV-RYUDHWBXSA-N 1 0 292.379 2.062 20 10 CECDRO Cc1nccn1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000273607977 327924262 /nfs/dbraw/zinc/92/42/62/327924262.db2.gz UWVPRAYAADYADH-SNVBAGLBSA-N 1 0 263.316 2.387 20 10 CECDRO CN(C)c1cccnc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000289950571 328257219 /nfs/dbraw/zinc/25/72/19/328257219.db2.gz XLVBNIFFUGCTDN-UHFFFAOYSA-N 1 0 283.375 2.372 20 10 CECDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000092392239 327193774 /nfs/dbraw/zinc/19/37/74/327193774.db2.gz FYXLKMDFVPOYII-IUODEOHRSA-N 1 0 250.386 2.420 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1F ZINC000377787129 329029385 /nfs/dbraw/zinc/02/93/85/329029385.db2.gz SDGDJQJRBYHBRA-GFCCVEGCSA-N 1 0 288.370 2.262 20 10 CECDRO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000360021465 329070030 /nfs/dbraw/zinc/07/00/30/329070030.db2.gz WDYJCINZOBKMJU-ZDUSSCGKSA-N 1 0 293.363 2.318 20 10 CECDRO C[C@H]1CN(C2CC[NH+](Cc3ccccc3O)CC2)CCO1 ZINC000179562870 329209830 /nfs/dbraw/zinc/20/98/30/329209830.db2.gz CNCVLQZUBVBQTF-AWEZNQCLSA-N 1 0 290.407 2.077 20 10 CECDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(C)c3O)[C@H]2C1 ZINC000180779195 329223007 /nfs/dbraw/zinc/22/30/07/329223007.db2.gz RUESITPTPINVBL-OWCLPIDISA-N 1 0 291.391 2.469 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000184805653 329262993 /nfs/dbraw/zinc/26/29/93/329262993.db2.gz SLAVYYMGUOASKN-UHFFFAOYSA-N 1 0 283.375 2.500 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CC12CC(C1)CO2 ZINC000527790735 330283540 /nfs/dbraw/zinc/28/35/40/330283540.db2.gz UPIRHNNAHKGTEW-UHFFFAOYSA-N 1 0 253.729 2.314 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2(N(C)C)CCCC2)c1 ZINC000160704641 330873989 /nfs/dbraw/zinc/87/39/89/330873989.db2.gz ULSBYTBSTQJNSP-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO C[C@H]([NH2+]CCN1CCSCC1)c1cc(F)ccc1O ZINC000230661680 333320126 /nfs/dbraw/zinc/32/01/26/333320126.db2.gz LAVOPLCGNWKEDS-NSHDSACASA-N 1 0 284.400 2.231 20 10 CECDRO COc1ccc(O)c(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000245959206 334225849 /nfs/dbraw/zinc/22/58/49/334225849.db2.gz UMOCGLWANWKQTD-OCCSQVGLSA-N 1 0 276.380 2.069 20 10 CECDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000292995097 334888621 /nfs/dbraw/zinc/88/86/21/334888621.db2.gz MOKVDKDILDYBOV-MLGOLLRUSA-N 1 0 261.365 2.262 20 10 CECDRO CC(=O)Nc1ccc(C[NH2+]Cc2cc(C)ccc2O)cn1 ZINC000278740412 519717525 /nfs/dbraw/zinc/71/75/25/519717525.db2.gz VKKQPSTYBMWGST-UHFFFAOYSA-N 1 0 285.347 2.344 20 10 CECDRO CCCNC(=O)C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000279949811 519880016 /nfs/dbraw/zinc/88/00/16/519880016.db2.gz BQHQWRHHNPKDBB-ZDUSSCGKSA-N 1 0 264.369 2.268 20 10 CECDRO CCOCc1cc(C[NH2+]CCC[C@H](C)O)ccc1OC ZINC000278604694 520185950 /nfs/dbraw/zinc/18/59/50/520185950.db2.gz IEJGHQPMJZAJPV-ZDUSSCGKSA-N 1 0 281.396 2.482 20 10 CECDRO CCCOc1ccc(C[N@H+](CCO)CCCOC)c(O)c1 ZINC000276013766 520345963 /nfs/dbraw/zinc/34/59/63/520345963.db2.gz QDGDEWAMKXQLAP-UHFFFAOYSA-N 1 0 297.395 2.012 20 10 CECDRO CC1(C)C[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC000280596143 520471383 /nfs/dbraw/zinc/47/13/83/520471383.db2.gz XVTHXNQSHMNYDO-LBPRGKRZSA-N 1 0 255.745 2.248 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](C)O)cc1 ZINC000130667471 520890768 /nfs/dbraw/zinc/89/07/68/520890768.db2.gz WNXPVFUAPQVCSJ-CYBMUJFWSA-N 1 0 250.386 2.345 20 10 CECDRO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H](C)CO ZINC000293265163 521315738 /nfs/dbraw/zinc/31/57/38/521315738.db2.gz BOBLSDMLQKHTSZ-ZDUSSCGKSA-N 1 0 250.386 2.264 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1O ZINC000365840123 521345052 /nfs/dbraw/zinc/34/50/52/521345052.db2.gz XCLIBDNFBMAOBG-AWEZNQCLSA-N 1 0 287.363 2.434 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H](CC)CCO)c1O ZINC000094948291 521365151 /nfs/dbraw/zinc/36/51/51/521365151.db2.gz AVCVRXIZMRJZFH-GFCCVEGCSA-N 1 0 267.369 2.289 20 10 CECDRO CC[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(C)cc1O ZINC000280022416 522837266 /nfs/dbraw/zinc/83/72/66/522837266.db2.gz HOKUEAVPTNJLSQ-CQSZACIVSA-N 1 0 276.380 2.268 20 10 CECDRO COCCOCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000044694090 524010293 /nfs/dbraw/zinc/01/02/93/524010293.db2.gz NZBVENKEQZHFFI-LBPRGKRZSA-N 1 0 253.342 2.014 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)Cn2cccn2)cc1C ZINC000035272352 524074305 /nfs/dbraw/zinc/07/43/05/524074305.db2.gz NBQOLPBSRXWFNZ-ZDUSSCGKSA-N 1 0 259.353 2.378 20 10 CECDRO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1O ZINC000290414353 524377934 /nfs/dbraw/zinc/37/79/34/524377934.db2.gz KFYQRUKATXVDGR-ZFWWWQNUSA-N 1 0 262.397 2.473 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000217627785 524756733 /nfs/dbraw/zinc/75/67/33/524756733.db2.gz RRZMICWWCBZJCV-CABCVRRESA-N 1 0 276.380 2.117 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](C2CC2)O1 ZINC000280502512 524986582 /nfs/dbraw/zinc/98/65/82/524986582.db2.gz GGJYRRRXMVHYFK-HWPZZCPQSA-N 1 0 291.347 2.120 20 10 CECDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000290435796 525009642 /nfs/dbraw/zinc/00/96/42/525009642.db2.gz VICBJQMRMKFCEK-CZUORRHYSA-N 1 0 289.423 2.099 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1C ZINC000291022849 525314377 /nfs/dbraw/zinc/31/43/77/525314377.db2.gz AMZLUFXKZJQYQP-CYBMUJFWSA-N 1 0 285.334 2.459 20 10 CECDRO C[C@H]([NH2+]CCCN1CCOCC1)c1ccc(N(C)C)cc1 ZINC000037232285 525339345 /nfs/dbraw/zinc/33/93/45/525339345.db2.gz SJXVGDAXGOSESG-HNNXBMFYSA-N 1 0 291.439 2.126 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCCOC[C@@H]2CCCO2)c1 ZINC000071406649 525350787 /nfs/dbraw/zinc/35/07/87/525350787.db2.gz LTHPTWRPKXXSLK-HNNXBMFYSA-N 1 0 279.380 2.376 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN2CCCC2=O)c1 ZINC000037782913 525361468 /nfs/dbraw/zinc/36/14/68/525361468.db2.gz XPBWAIIYNGMFKI-QWHCGFSZSA-N 1 0 276.380 2.362 20 10 CECDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000278876894 525758618 /nfs/dbraw/zinc/75/86/18/525758618.db2.gz SFRBBHOMJYDPDM-CABCVRRESA-N 1 0 292.423 2.335 20 10 CECDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000280471516 525821090 /nfs/dbraw/zinc/82/10/90/525821090.db2.gz NBTIDOCMEVDNAZ-WCQYABFASA-N 1 0 293.363 2.246 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c(O)c1C ZINC000280879915 525916205 /nfs/dbraw/zinc/91/62/05/525916205.db2.gz DJKWLXFWXYMQQZ-LBPRGKRZSA-N 1 0 297.420 2.237 20 10 CECDRO COc1cccc(C[NH2+]Cc2ccnn2C(C)C)c1O ZINC000289471824 526027651 /nfs/dbraw/zinc/02/76/51/526027651.db2.gz PPHKWCDYXIPCSA-UHFFFAOYSA-N 1 0 275.352 2.468 20 10 CECDRO COc1cccc(C[NH2+][C@@H](CO)c2ccccc2)c1O ZINC000062999391 526032149 /nfs/dbraw/zinc/03/21/49/526032149.db2.gz GIIUBTLZDKDYHE-AWEZNQCLSA-N 1 0 273.332 2.224 20 10 CECDRO O=c1[nH]ccc2c1C[N@H+](Cc1cc(F)ccc1O)CC2 ZINC000277100933 526349085 /nfs/dbraw/zinc/34/90/85/526349085.db2.gz VIXYEBJYBRBPMN-UHFFFAOYSA-N 1 0 274.295 2.190 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCN1CC=CCC1 ZINC000279615481 526363578 /nfs/dbraw/zinc/36/35/78/526363578.db2.gz AGSAOJURBMYRKB-UHFFFAOYSA-N 1 0 266.772 2.397 20 10 CECDRO COc1cccc(O)c1CN1CC[NH+](CC(C)C)CC1 ZINC000728300122 574464065 /nfs/dbraw/zinc/46/40/65/574464065.db2.gz XXVWXEGRTAGAKX-UHFFFAOYSA-N 1 0 278.396 2.174 20 10 CECDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000731872388 574604388 /nfs/dbraw/zinc/60/43/88/574604388.db2.gz HQBKWNLNTYCVBN-NSHDSACASA-N 1 0 282.409 2.304 20 10 CECDRO O=C(C1=CC(=O)CS1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000732287767 574617965 /nfs/dbraw/zinc/61/79/65/574617965.db2.gz FZDWHBARJNUDSF-NSHDSACASA-N 1 0 280.393 2.154 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@]2(C)CCOC2)cc1F ZINC000733328536 574664431 /nfs/dbraw/zinc/66/44/31/574664431.db2.gz ZVOCGZOZSILDFD-HNNXBMFYSA-N 1 0 266.360 2.408 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](OC)C(F)(F)F)c1 ZINC000733329618 574664868 /nfs/dbraw/zinc/66/48/68/574664868.db2.gz HXVBPRWMOIGZGV-LBPRGKRZSA-N 1 0 293.285 2.458 20 10 CECDRO CCOC[C@@H](O)C[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000733610309 574682528 /nfs/dbraw/zinc/68/25/28/574682528.db2.gz IBERZUBZBBQYKO-KRWDZBQOSA-N 1 0 294.439 2.362 20 10 CECDRO OC[C@@H]([NH2+]Cc1ccccc1O)c1ccc(F)cc1 ZINC000734851058 574732213 /nfs/dbraw/zinc/73/22/13/574732213.db2.gz SUNXBFFLOZTBAW-CQSZACIVSA-N 1 0 261.296 2.355 20 10 CECDRO CCOCc1cc(C[NH2+]CCC[S@@](C)=O)ccc1OC ZINC000735084984 574742104 /nfs/dbraw/zinc/74/21/04/574742104.db2.gz GAVVLKOERABWFX-HXUWFJFHSA-N 1 0 299.436 2.090 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCN(C)C2=O)cc1C(C)C ZINC000738264538 574856433 /nfs/dbraw/zinc/85/64/33/574856433.db2.gz DNVWJPXVTCYYTA-OAHLLOKOSA-N 1 0 290.407 2.487 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H](O)c1ccc(C)o1 ZINC000741260620 574979695 /nfs/dbraw/zinc/97/96/95/574979695.db2.gz IJXCXGNIAQKXGL-ZDUSSCGKSA-N 1 0 277.320 2.125 20 10 CECDRO COc1cccc(C[NH2+]C(C)(C)c2cnn(C)c2)c1O ZINC000742374461 575018132 /nfs/dbraw/zinc/01/81/32/575018132.db2.gz YPRYXVBXHDTFIS-UHFFFAOYSA-N 1 0 275.352 2.159 20 10 CECDRO O=C(C1=CC(=O)CS1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000743539924 575106165 /nfs/dbraw/zinc/10/61/65/575106165.db2.gz LOLORSOJUILPPS-UHFFFAOYSA-N 1 0 294.420 2.402 20 10 CECDRO C[C@@H]1C[C@H](N(C)C(=O)C2=CC(=O)CS2)CC[N@@H+]1C ZINC000743536491 575106180 /nfs/dbraw/zinc/10/61/80/575106180.db2.gz KYBVIOOJAJVIST-NXEZZACHSA-N 1 0 268.382 2.008 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H](OC)C(C)C ZINC000744448895 575121298 /nfs/dbraw/zinc/12/12/98/575121298.db2.gz NYTCPWJIMSSWER-AWEZNQCLSA-N 1 0 253.342 2.161 20 10 CECDRO CCN(C)C(=O)C[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000746650780 575161893 /nfs/dbraw/zinc/16/18/93/575161893.db2.gz JFVUBBNJQZCZDE-UHFFFAOYSA-N 1 0 291.439 2.443 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](OC)C2)c1O ZINC000746755677 575163933 /nfs/dbraw/zinc/16/39/33/575163933.db2.gz REMPLMHPTKGMGU-QWHCGFSZSA-N 1 0 265.353 2.448 20 10 CECDRO COc1ncc(C[NH2+]Cc2ccccc2O)s1 ZINC000310303318 625451022 /nfs/dbraw/zinc/45/10/22/625451022.db2.gz UWGWQSZDZIZGBL-UHFFFAOYSA-N 1 0 250.323 2.147 20 10 CECDRO C[NH+]1CCC(CC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890759896 622931878 /nfs/dbraw/zinc/93/18/78/622931878.db2.gz VAYJMNNAPDWBIX-UHFFFAOYSA-N 1 0 296.798 2.394 20 10 CECDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890760266 622932511 /nfs/dbraw/zinc/93/25/11/622932511.db2.gz MOBAGGDORMHEAK-LBPRGKRZSA-N 1 0 282.771 2.146 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN(C)[C@H](C)C[NH3+])c1O ZINC000843350359 622942825 /nfs/dbraw/zinc/94/28/25/622942825.db2.gz NEIYURLLPSRAIR-MRVPVSSYSA-N 1 0 270.760 2.027 20 10 CECDRO CSC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000076768852 623150259 /nfs/dbraw/zinc/15/02/59/623150259.db2.gz VTOUTZXRQKDQRU-ZDUSSCGKSA-N 1 0 280.437 2.364 20 10 CECDRO COc1cc(C[NH+]2CCC(OC(C)=O)CC2)c(O)cc1C ZINC000160479077 623339102 /nfs/dbraw/zinc/33/91/02/623339102.db2.gz LXZSXXZRIBRWIS-UHFFFAOYSA-N 1 0 293.363 2.237 20 10 CECDRO CC[C@]1(CO)CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000779216159 623398286 /nfs/dbraw/zinc/39/82/86/623398286.db2.gz ALYMVAMQEWGOCS-INIZCTEOSA-N 1 0 279.380 2.385 20 10 CECDRO CC(C)(CN1CCOCC1)[NH2+]Cc1cc(Cl)ccc1O ZINC000308637672 623909303 /nfs/dbraw/zinc/90/93/03/623909303.db2.gz ALRDOFLMXUYKRC-UHFFFAOYSA-N 1 0 298.814 2.246 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@H](CCO)C2)c(O)c1OC ZINC000891948690 624133049 /nfs/dbraw/zinc/13/30/49/624133049.db2.gz VYPIDFBFBIRAER-GFCCVEGCSA-N 1 0 295.379 2.004 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(OCCCO)CC2)cc1 ZINC000093694019 624133256 /nfs/dbraw/zinc/13/32/56/624133256.db2.gz IOVLWTWTNAMTJL-UHFFFAOYSA-N 1 0 292.423 2.116 20 10 CECDRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)c1ccccc1O ZINC000892037923 624266542 /nfs/dbraw/zinc/26/65/42/624266542.db2.gz PBBYBOUDMBJUKF-VXGBXAGGSA-N 1 0 279.384 2.126 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[NH+]1CCCC1 ZINC000820877533 634558991 /nfs/dbraw/zinc/55/89/91/634558991.db2.gz AJZUTSAZPHJUSE-UHFFFAOYSA-N 1 0 276.380 2.227 20 10 CECDRO COCCOC[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000892733849 627735331 /nfs/dbraw/zinc/73/53/31/627735331.db2.gz UXFMPGZNPAXSQU-AWEZNQCLSA-N 1 0 292.423 2.210 20 10 CECDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@H]1CCCC[C@@H]1O ZINC000181098928 628105539 /nfs/dbraw/zinc/10/55/39/628105539.db2.gz AWYQHKDAWBDOJP-AAEUAGOBSA-N 1 0 293.363 2.104 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCN(C)C[C@H]2C(C)C)c1 ZINC000182134073 628145307 /nfs/dbraw/zinc/14/53/07/628145307.db2.gz HLBOOOXMWABCKD-HNNXBMFYSA-N 1 0 278.396 2.173 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c(O)c1OC ZINC000893219441 628148239 /nfs/dbraw/zinc/14/82/39/628148239.db2.gz GYFPUSPFDZIJEW-CMPLNLGQSA-N 1 0 281.352 2.067 20 10 CECDRO C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(F)ccc1O ZINC000902476892 634667362 /nfs/dbraw/zinc/66/73/62/634667362.db2.gz RKVCOPRSLPMYJL-YPWHJJHSSA-N 1 0 250.317 2.075 20 10 CECDRO COCCOC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840935434 628752941 /nfs/dbraw/zinc/75/29/41/628752941.db2.gz PIWNQYTZTAGJQC-AWEZNQCLSA-N 1 0 280.412 2.202 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c(Cl)c1 ZINC000840938870 628757336 /nfs/dbraw/zinc/75/73/36/628757336.db2.gz IQSIDJAVXMMKCB-YGRLFVJLSA-N 1 0 267.756 2.168 20 10 CECDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cc(F)ccc1O ZINC000219584515 628812576 /nfs/dbraw/zinc/81/25/76/628812576.db2.gz RLKMCHHWBWCVIU-MFKMUULPSA-N 1 0 252.333 2.233 20 10 CECDRO Cn1ncc2c1CCC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC000840954517 628864978 /nfs/dbraw/zinc/86/49/78/628864978.db2.gz JKSKXUTXZMKLJO-UHFFFAOYSA-N 1 0 275.327 2.213 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc(F)ccc1O ZINC000094617977 628929651 /nfs/dbraw/zinc/92/96/51/628929651.db2.gz NDHDVKSIXIUGRN-CMPLNLGQSA-N 1 0 264.344 2.419 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)C(C)C ZINC000840967051 628935718 /nfs/dbraw/zinc/93/57/18/628935718.db2.gz CSMABXLGPBWROL-OCCSQVGLSA-N 1 0 255.333 2.416 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1cc(F)cc(F)c1[O-] ZINC000925883950 628982812 /nfs/dbraw/zinc/98/28/12/628982812.db2.gz ZESWPUCFJJBWNP-NGZCFLSTSA-N 1 0 270.323 2.448 20 10 CECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000840976503 628984541 /nfs/dbraw/zinc/98/45/41/628984541.db2.gz WYPGGBJGTOKECW-OAHLLOKOSA-N 1 0 281.327 2.306 20 10 CECDRO CCN1CCC[C@H]1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894139074 629161723 /nfs/dbraw/zinc/16/17/23/629161723.db2.gz AQDGAEKKVJQJQZ-AWEZNQCLSA-N 1 0 278.396 2.283 20 10 CECDRO CCOCCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894157741 629175870 /nfs/dbraw/zinc/17/58/70/629175870.db2.gz YMPLYKHQYYDNSK-UHFFFAOYSA-N 1 0 253.342 2.225 20 10 CECDRO COc1ccc(C[NH2+]Cc2cn(C)nc2C2CC2)c(O)c1 ZINC000894184917 629196666 /nfs/dbraw/zinc/19/66/66/629196666.db2.gz HJEVUUQAFHMDDT-UHFFFAOYSA-N 1 0 287.363 2.302 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCCn2ccnc2C)c1O ZINC000894192698 629200136 /nfs/dbraw/zinc/20/01/36/629200136.db2.gz AVRXVRBTIMYPCC-UHFFFAOYSA-N 1 0 289.379 2.394 20 10 CECDRO CON1CCC([N@H+](C)Cc2c(C)cccc2O)CC1 ZINC000877579197 629203133 /nfs/dbraw/zinc/20/31/33/629203133.db2.gz OABDBLPPLXUCHB-UHFFFAOYSA-N 1 0 264.369 2.158 20 10 CECDRO CC[C@@H](CCO)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894351731 629382113 /nfs/dbraw/zinc/38/21/13/629382113.db2.gz GGROGUINHCPVJE-LBPRGKRZSA-N 1 0 267.369 2.207 20 10 CECDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C)S1=O ZINC000792192759 629600368 /nfs/dbraw/zinc/60/03/68/629600368.db2.gz PZVQJSHNUOKZRV-CHWSQXEVSA-N 1 0 280.437 2.094 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1O ZINC000894749794 629621124 /nfs/dbraw/zinc/62/11/24/629621124.db2.gz KSYHIDOOIWRDDC-QWHCGFSZSA-N 1 0 279.380 2.471 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](O)C2(C)C)c1O ZINC000894814451 629654789 /nfs/dbraw/zinc/65/47/89/629654789.db2.gz GTOYRBPIYCBQAQ-ZDUSSCGKSA-N 1 0 265.353 2.054 20 10 CECDRO COc1cc(C)cc(C[N@@H+](C)C[C@H](C)OC)c1O ZINC000795750233 629666644 /nfs/dbraw/zinc/66/66/44/629666644.db2.gz SIPMPOZJJCXIDN-NSHDSACASA-N 1 0 253.342 2.176 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@@H](O)C(C)C ZINC000894915433 629751816 /nfs/dbraw/zinc/75/18/16/629751816.db2.gz LKXKZMYCOXASJQ-OCCSQVGLSA-N 1 0 297.395 2.295 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)c(O)c1OC ZINC000894945388 629760624 /nfs/dbraw/zinc/76/06/24/629760624.db2.gz XDCSBENNOMIHMI-AAEUAGOBSA-N 1 0 295.379 2.050 20 10 CECDRO OC[C@H](CC1CCC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000793321854 629861114 /nfs/dbraw/zinc/86/11/14/629861114.db2.gz LAZYPBZAUFXKHW-HNNXBMFYSA-N 1 0 261.365 2.262 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1C ZINC000796490985 629918775 /nfs/dbraw/zinc/91/87/75/629918775.db2.gz OVRFXUORQJAUDN-LBPRGKRZSA-N 1 0 297.420 2.064 20 10 CECDRO COc1cc(C)cc(C[N@H+](C[C@@H](C)O)C2CC2)c1O ZINC000895193395 630024669 /nfs/dbraw/zinc/02/46/69/630024669.db2.gz XLFFZIKIFLUOAL-LLVKDONJSA-N 1 0 265.353 2.054 20 10 CECDRO C[C@H](CCNCc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC000895298166 630086208 /nfs/dbraw/zinc/08/62/08/630086208.db2.gz SMUDKILWIREEKE-GFCCVEGCSA-N 1 0 267.392 2.322 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000895331941 630119735 /nfs/dbraw/zinc/11/97/35/630119735.db2.gz CBOSTLQVOZYHQL-JOYOIKCWSA-N 1 0 299.317 2.301 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1O ZINC000895375471 630151825 /nfs/dbraw/zinc/15/18/25/630151825.db2.gz BRHUKEBJDQDNLB-JSGCOSHPSA-N 1 0 279.380 2.160 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c(O)c1OC ZINC000895432929 630182108 /nfs/dbraw/zinc/18/21/08/630182108.db2.gz GEJCADJJLVEOJE-JQWIXIFHSA-N 1 0 263.337 2.251 20 10 CECDRO CC[C@@]1(O)CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000895444112 630187019 /nfs/dbraw/zinc/18/70/19/630187019.db2.gz PFUJVPGPVQGFCQ-MRXNPFEDSA-N 1 0 279.380 2.446 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c(O)c1OC ZINC000895745916 630322874 /nfs/dbraw/zinc/32/28/74/630322874.db2.gz UFCFVNRNMOXHAI-JBLDHEPKSA-N 1 0 281.352 2.065 20 10 CECDRO C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cc(F)ccc3O)O2)CO1 ZINC000895820279 630361923 /nfs/dbraw/zinc/36/19/23/630361923.db2.gz NEAQFVLZAMEJAV-XFJVYGCCSA-N 1 0 295.354 2.348 20 10 CECDRO Cc1cccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)c1O ZINC000896634243 630617067 /nfs/dbraw/zinc/61/70/67/630617067.db2.gz WPFACPVCFFZCEE-UHFFFAOYSA-N 1 0 291.391 2.112 20 10 CECDRO Cc1ccc(C[NH2+]C[C@]2(OC(C)C)CCOC2)c(O)c1 ZINC000896667328 630632989 /nfs/dbraw/zinc/63/29/89/630632989.db2.gz JMCQUXZTIOUEKS-MRXNPFEDSA-N 1 0 279.380 2.374 20 10 CECDRO COc1cc(O)c(C[NH2+]Cc2ccnc(C)c2)cc1OC ZINC000824596151 635460222 /nfs/dbraw/zinc/46/02/22/635460222.db2.gz GDXFXNXQKBFPOR-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c(O)c1 ZINC000897051410 630910983 /nfs/dbraw/zinc/91/09/83/630910983.db2.gz WAQXSLXKMRCTRI-XMQYKBBCSA-N 1 0 277.364 2.473 20 10 CECDRO COCC1(C[NH2+]Cc2c(O)cccc2OC)CCC1 ZINC000800279610 631106072 /nfs/dbraw/zinc/10/60/72/631106072.db2.gz JPUOMSQWBRMMMP-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO COc1cccc(O)c1C[NH+]1CCC2(CCO2)CC1 ZINC000800538445 631133950 /nfs/dbraw/zinc/13/39/50/631133950.db2.gz YHQDMGUJMYACAK-UHFFFAOYSA-N 1 0 263.337 2.156 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CSC1(C)C ZINC000801736048 631312903 /nfs/dbraw/zinc/31/29/03/631312903.db2.gz SQETZJNCZNRBQC-LBPRGKRZSA-N 1 0 253.367 2.384 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](O)COC)c1cc(Cl)ccc1O ZINC000802310510 631424047 /nfs/dbraw/zinc/42/40/47/631424047.db2.gz WRRXSLXEFRJPDW-PWSUYJOCSA-N 1 0 273.760 2.094 20 10 CECDRO Cc1ccc(C[NH2+]CC2(C3(O)CCC3)CC2)c(O)c1 ZINC000897524843 631641256 /nfs/dbraw/zinc/64/12/56/631641256.db2.gz FOXKEVADIXFDLB-UHFFFAOYSA-N 1 0 261.365 2.485 20 10 CECDRO COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841751631 631668723 /nfs/dbraw/zinc/66/87/23/631668723.db2.gz IIZZJGHCFJJQLO-GXSJLCMTSA-N 1 0 273.760 2.094 20 10 CECDRO C[C@H]1C[C@H](CN(C)c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000841012030 631740743 /nfs/dbraw/zinc/74/07/43/631740743.db2.gz WTDOSXYOOSPKES-NWDGAFQWSA-N 1 0 262.353 2.240 20 10 CECDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000806663108 631762764 /nfs/dbraw/zinc/76/27/64/631762764.db2.gz MPUFQTLKXDVQIP-YPMHNXCESA-N 1 0 296.436 2.219 20 10 CECDRO C[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@H]1O ZINC000897679125 631863450 /nfs/dbraw/zinc/86/34/50/631863450.db2.gz HULUMZKSXZFRLH-WSXGPOFGSA-N 1 0 260.381 2.078 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1O ZINC000897685592 631866715 /nfs/dbraw/zinc/86/67/15/631866715.db2.gz OPIFTRBYZGVTAF-YOEHRIQHSA-N 1 0 274.408 2.490 20 10 CECDRO CC[N@H+](CCC(=O)NC)Cc1cc(Cl)ccc1O ZINC000897710596 631882034 /nfs/dbraw/zinc/88/20/34/631882034.db2.gz YFBQAHIMJXOTQK-UHFFFAOYSA-N 1 0 270.760 2.004 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000897814899 631912598 /nfs/dbraw/zinc/91/25/98/631912598.db2.gz MYTJVJWKOAWYTE-KLHXSOHHSA-N 1 0 275.348 2.227 20 10 CECDRO COc1ccc(C[NH2+]C[C@H](CO)c2cccnc2)cc1C ZINC000808431385 631962647 /nfs/dbraw/zinc/96/26/47/631962647.db2.gz RYAZJXGEKWIFPW-MRXNPFEDSA-N 1 0 286.375 2.264 20 10 CECDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808697834 632003038 /nfs/dbraw/zinc/00/30/38/632003038.db2.gz WTCKVEBFYYLOHK-CMPLNLGQSA-N 1 0 287.787 2.402 20 10 CECDRO CC[C@@](C)(C[NH2+]Cc1ccc(OC)cc1O)OC ZINC000322509248 632214049 /nfs/dbraw/zinc/21/40/49/632214049.db2.gz ILXVIDZNZONLDV-AWEZNQCLSA-N 1 0 253.342 2.306 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000787421148 632300417 /nfs/dbraw/zinc/30/04/17/632300417.db2.gz NUUOWKHLIKYWQP-WFASDCNBSA-N 1 0 276.380 2.136 20 10 CECDRO CCN(CC)c1ccc(CNC[C@@H]([NH3+])C2CC2)cc1 ZINC000841049286 632352741 /nfs/dbraw/zinc/35/27/41/632352741.db2.gz JBTMFBPEAYXBPO-MRXNPFEDSA-N 1 0 261.413 2.360 20 10 CECDRO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000841059004 632361084 /nfs/dbraw/zinc/36/10/84/632361084.db2.gz IYMWOIFCGALOKD-WMLDXEAASA-N 1 0 273.424 2.374 20 10 CECDRO CCO[C@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)CN(C)C ZINC000926964307 632392620 /nfs/dbraw/zinc/39/26/20/632392620.db2.gz WYDQZNBCEIOSEU-QWHCGFSZSA-N 1 0 296.411 2.018 20 10 CECDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448422 632497832 /nfs/dbraw/zinc/49/78/32/632497832.db2.gz RVOSLMKLBUMJJZ-CPUCHLNUSA-N 1 0 293.455 2.368 20 10 CECDRO CC[N@H+](Cc1cc(C)cc(OC)c1O)[C@@H]1CCOC1 ZINC000812297171 632504720 /nfs/dbraw/zinc/50/47/20/632504720.db2.gz YASPQPGLHMQPKW-CYBMUJFWSA-N 1 0 265.353 2.320 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C2(C)C)c1O ZINC000812778430 632576499 /nfs/dbraw/zinc/57/64/99/632576499.db2.gz GERMNSXMOSZWPH-LBPRGKRZSA-N 1 0 285.771 2.399 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc3cnccn23)c1 ZINC000813331773 632671141 /nfs/dbraw/zinc/67/11/41/632671141.db2.gz USGOJRGOGKAPTQ-LLVKDONJSA-N 1 0 298.346 2.294 20 10 CECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1c(O)cccc1OC ZINC000814301479 632821894 /nfs/dbraw/zinc/82/18/94/632821894.db2.gz UPMKYSKACLZTRR-LBPRGKRZSA-N 1 0 294.395 2.043 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)c1O ZINC000815148549 632972520 /nfs/dbraw/zinc/97/25/20/632972520.db2.gz ZFZCQGBETMZISG-JTQLQIEISA-N 1 0 274.320 2.352 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CC)C(C)(C)O)c(O)c1 ZINC000815154474 632973545 /nfs/dbraw/zinc/97/35/45/632973545.db2.gz CXPQKHWKZFRHES-AWEZNQCLSA-N 1 0 267.369 2.430 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c(O)c1 ZINC000815598247 633036697 /nfs/dbraw/zinc/03/66/97/633036697.db2.gz QBYIXZWRXWRWLV-RYUDHWBXSA-N 1 0 285.409 2.093 20 10 CECDRO Oc1c(C[NH2+]Cc2nnc3n2CCC3)ccc2ccccc21 ZINC000816533679 633408642 /nfs/dbraw/zinc/40/86/42/633408642.db2.gz GQJIYSGSFSRNOB-UHFFFAOYSA-N 1 0 294.358 2.373 20 10 CECDRO CN(C)C(=O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816543909 633409789 /nfs/dbraw/zinc/40/97/89/633409789.db2.gz RITOLMJLQHGHPU-UHFFFAOYSA-N 1 0 272.348 2.113 20 10 CECDRO COCCC[N@H+](CCO)Cc1ccc2ccccc2c1O ZINC000816586246 633417302 /nfs/dbraw/zinc/41/73/02/633417302.db2.gz DLYKZNCBKCSWIC-UHFFFAOYSA-N 1 0 289.375 2.376 20 10 CECDRO CCOc1ccc(CN2CCC3(CC[NH2+]3)CC2)c(O)c1 ZINC000817865109 633746773 /nfs/dbraw/zinc/74/67/73/633746773.db2.gz HHIBVJPMOPFPHE-UHFFFAOYSA-N 1 0 276.380 2.119 20 10 CECDRO C[C@@H]([NH2+]CCC[NH3+])c1cccc(C(F)(F)F)c1[O-] ZINC000817938022 633788767 /nfs/dbraw/zinc/78/87/67/633788767.db2.gz BQJHOHFQFCTTMF-MRVPVSSYSA-N 1 0 262.275 2.410 20 10 CECDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)[C@H]1C[C@H]1C ZINC000817940886 633789491 /nfs/dbraw/zinc/78/94/91/633789491.db2.gz LWGVLZUMHYQXIA-KNPMLCFXSA-N 1 0 261.413 2.387 20 10 CECDRO C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000817944428 633791275 /nfs/dbraw/zinc/79/12/75/633791275.db2.gz BSKMDTSUETVQDL-WCABBAIRSA-N 1 0 250.317 2.031 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)N[C@H]2CC[NH2+]C2)c1O ZINC000817945232 633792848 /nfs/dbraw/zinc/79/28/48/633792848.db2.gz XOXIXDMJNCOJSJ-ONGXEEELSA-N 1 0 254.761 2.367 20 10 CECDRO C[C@@H](NC1C[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817955245 633798414 /nfs/dbraw/zinc/79/84/14/633798414.db2.gz UAXSMOAEVIYMFT-GFCCVEGCSA-N 1 0 277.387 2.438 20 10 CECDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817959851 633802105 /nfs/dbraw/zinc/80/21/05/633802105.db2.gz JREXJMCJCDWLFS-WDMOLILDSA-N 1 0 293.367 2.469 20 10 CECDRO CC[C@@H]([NH2+]CCNCCOC)c1ccc(N(C)C)cc1 ZINC000817965048 633806744 /nfs/dbraw/zinc/80/67/44/633806744.db2.gz OBAFITVXNKWERW-MRXNPFEDSA-N 1 0 279.428 2.029 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817969761 633811419 /nfs/dbraw/zinc/81/14/19/633811419.db2.gz ZLZQUPNUVPISOF-JQWIXIFHSA-N 1 0 252.333 2.324 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817969201 633812439 /nfs/dbraw/zinc/81/24/39/633812439.db2.gz RQDGZVJSTWGYBE-KOLCDFICSA-N 1 0 270.323 2.463 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cc1[O-] ZINC000817972630 633815415 /nfs/dbraw/zinc/81/54/15/633815415.db2.gz YUPWLFSBZGQKLI-OUJBWJOFSA-N 1 0 252.333 2.180 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1[O-] ZINC000817971902 633815650 /nfs/dbraw/zinc/81/56/50/633815650.db2.gz QZHGFDAELJUULV-SCVCMEIPSA-N 1 0 252.333 2.322 20 10 CECDRO C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817973282 633817078 /nfs/dbraw/zinc/81/70/78/633817078.db2.gz SJJDJLWSRVZRRS-SFYZADRCSA-N 1 0 262.275 2.409 20 10 CECDRO COC[C@@]1(CN[C@H](C)c2c(C)cc(C)cc2O)CCC[NH2+]1 ZINC000817973681 633817577 /nfs/dbraw/zinc/81/75/77/633817577.db2.gz GIKGBLKNTYJIJU-PBHICJAKSA-N 1 0 292.423 2.428 20 10 CECDRO COC[C@@]1(CN[C@H](C)c2cc(C)ccc2O)CCC[NH2+]1 ZINC000817975144 633818308 /nfs/dbraw/zinc/81/83/08/633818308.db2.gz RCBPZOXTQCYMOW-CJNGLKHVSA-N 1 0 278.396 2.120 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(N(C)C)cc1 ZINC000817976817 633820529 /nfs/dbraw/zinc/82/05/29/633820529.db2.gz UZGZHTUFOKOKMT-DZKIICNBSA-N 1 0 279.403 2.493 20 10 CECDRO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1O ZINC000817981656 633824367 /nfs/dbraw/zinc/82/43/67/633824367.db2.gz UKWGFOPJXKPFFE-QPUJVOFHSA-N 1 0 274.286 2.179 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)COC(C)C)cc1 ZINC000818964874 634018752 /nfs/dbraw/zinc/01/87/52/634018752.db2.gz JYXLHZFKRPFNEV-KRWDZBQOSA-N 1 0 294.439 2.408 20 10 CECDRO OC1(C[NH2+]CCCSc2nccs2)CCC1 ZINC000819062607 634057284 /nfs/dbraw/zinc/05/72/84/634057284.db2.gz GPRSHTALKQBRNN-UHFFFAOYSA-N 1 0 258.412 2.130 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+]C3CSC3)C2)cc1 ZINC000822493759 634930864 /nfs/dbraw/zinc/93/08/64/634930864.db2.gz AGIUURNFODUTSX-GFCCVEGCSA-N 1 0 278.421 2.227 20 10 CECDRO COc1nn(C)cc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000903337146 635067866 /nfs/dbraw/zinc/06/78/66/635067866.db2.gz STWYSRQALCOTBF-GFCCVEGCSA-N 1 0 288.395 2.346 20 10 CECDRO CC[C@@H](CN1CCOCC1)[NH2+][C@H](C)c1ccccc1O ZINC000903343202 635071174 /nfs/dbraw/zinc/07/11/74/635071174.db2.gz NMUCIGPNYHIDTD-KGLIPLIRSA-N 1 0 278.396 2.154 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H]3COC[C@@H]3C)CC2)cc1 ZINC000903394372 635090182 /nfs/dbraw/zinc/09/01/82/635090182.db2.gz AYNUBICSGGMUIH-GUYCJALGSA-N 1 0 290.407 2.289 20 10 CECDRO CCN(C[C@H]1CCC[NH2+]1)c1ccc(OC)c(OC)c1 ZINC000903431473 635114831 /nfs/dbraw/zinc/11/48/31/635114831.db2.gz VXUFTFDUIJHFBX-GFCCVEGCSA-N 1 0 264.369 2.282 20 10 CECDRO CCOc1ccc(N(C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903732886 635243523 /nfs/dbraw/zinc/24/35/23/635243523.db2.gz HGWBFIMSLJQCAZ-SJORKVTESA-N 1 0 290.407 2.290 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](CO)[C@H]2CC)c1O ZINC000824637508 635468304 /nfs/dbraw/zinc/46/83/04/635468304.db2.gz XOCVIVVDBKNGJZ-UONOGXRCSA-N 1 0 279.380 2.384 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)CCN2CCCC2=O)cc1Cl ZINC000824778318 635497299 /nfs/dbraw/zinc/49/72/99/635497299.db2.gz RYSMCLPTPKDWGE-UHFFFAOYSA-N 1 0 296.798 2.408 20 10 CECDRO COc1cccc(O)c1C[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000824815070 635503409 /nfs/dbraw/zinc/50/34/09/635503409.db2.gz IBWSUQSSDGKHEI-SMDDNHRTSA-N 1 0 265.353 2.258 20 10 CECDRO C[C@@]1(O)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824905815 635521109 /nfs/dbraw/zinc/52/11/09/635521109.db2.gz DZSQZPVMYTYPKM-GFCCVEGCSA-N 1 0 286.169 2.111 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@H](C)N(C)C)c1O ZINC000824988380 635535795 /nfs/dbraw/zinc/53/57/95/635535795.db2.gz KZVXXWYJMBQZFF-JTQLQIEISA-N 1 0 256.777 2.394 20 10 CECDRO C[C@H]([NH2+]Cc1ccccc1O)C(=O)NCCc1ccccc1 ZINC000825035352 635544119 /nfs/dbraw/zinc/54/41/19/635544119.db2.gz HDJRCHRGTPZUFW-AWEZNQCLSA-N 1 0 298.386 2.229 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)Cc2cnn(C)c2)cc1C ZINC000825046049 635548040 /nfs/dbraw/zinc/54/80/40/635548040.db2.gz OZXOXHDQHKLPDD-CYBMUJFWSA-N 1 0 273.380 2.463 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H](O)C2CCC2)c(O)c1 ZINC000825239988 635597280 /nfs/dbraw/zinc/59/72/80/635597280.db2.gz FGGFFJRABZTLTP-OAHLLOKOSA-N 1 0 265.353 2.042 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CCO[C@@H](C)C2)cc1Cl ZINC000825246466 635599364 /nfs/dbraw/zinc/59/93/64/635599364.db2.gz ATWRBNDXZLEMQV-LBPRGKRZSA-N 1 0 298.814 2.164 20 10 CECDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc2O)OCO3)C1 ZINC000825331792 635618259 /nfs/dbraw/zinc/61/82/59/635618259.db2.gz NGYIBOXRNQDVJO-ZDUSSCGKSA-N 1 0 292.379 2.035 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](CCCO)C2)c1O ZINC000825338886 635620235 /nfs/dbraw/zinc/62/02/35/635620235.db2.gz WXLZVKJKIHBDKY-ZDUSSCGKSA-N 1 0 279.380 2.385 20 10 CECDRO [NH3+]C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000904449731 635640220 /nfs/dbraw/zinc/64/02/20/635640220.db2.gz KQGIVCQPEMWKDM-UHFFFAOYSA-N 1 0 261.152 2.280 20 10 CECDRO Cc1n[nH]c(CC[NH2+]Cc2cc(Cl)c(C)cc2O)n1 ZINC000825469026 635643905 /nfs/dbraw/zinc/64/39/05/635643905.db2.gz UAYYWSCFKGLOQI-UHFFFAOYSA-N 1 0 280.759 2.113 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1Cl ZINC000826120462 635763538 /nfs/dbraw/zinc/76/35/38/635763538.db2.gz DPUJLHPNBJNLRD-FZMZJTMJSA-N 1 0 299.798 2.231 20 10 CECDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cccc(C)c2O)C1 ZINC000826902007 635876471 /nfs/dbraw/zinc/87/64/71/635876471.db2.gz GTGZSVWYHZWYDW-BMFZPTHFSA-N 1 0 293.407 2.356 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1O ZINC000826911112 635879473 /nfs/dbraw/zinc/87/94/73/635879473.db2.gz RZYHCWRDEMVMMP-TYILLQQXSA-N 1 0 281.421 2.480 20 10 CECDRO COc1ccc(O)c(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c1 ZINC000827017713 636190722 /nfs/dbraw/zinc/19/07/22/636190722.db2.gz JCEQZFKVPWYRHN-IYBDPMFKSA-N 1 0 277.364 2.259 20 10 CECDRO CCc1cccc(C[N@H+](CCOCCO)C2CCC2)c1O ZINC000827203971 636255806 /nfs/dbraw/zinc/25/58/06/636255806.db2.gz IZLIKDZGTUXFJC-UHFFFAOYSA-N 1 0 293.407 2.318 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCC[C@H](C)O2)cc1OC ZINC000827251915 636269655 /nfs/dbraw/zinc/26/96/55/636269655.db2.gz QYWKKUVMUUTVKU-AAEUAGOBSA-N 1 0 295.379 2.457 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cc1F ZINC000827279936 636278372 /nfs/dbraw/zinc/27/83/72/636278372.db2.gz CAHGDDRLCWWXEV-CJNGLKHVSA-N 1 0 278.371 2.360 20 10 CECDRO COC(=O)N(C)CC[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000827346128 636301075 /nfs/dbraw/zinc/30/10/75/636301075.db2.gz FKSSDOHTWOLDIA-UHFFFAOYSA-N 1 0 293.411 2.191 20 10 CECDRO C[C@@H](O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000827441942 636321128 /nfs/dbraw/zinc/32/11/28/636321128.db2.gz GQLQTKRJCKEBDB-CYBMUJFWSA-N 1 0 262.397 2.488 20 10 CECDRO CCOCc1cc(C[NH2+]C2([C@@H](C)O)CC2)ccc1OC ZINC000827579885 636358308 /nfs/dbraw/zinc/35/83/08/636358308.db2.gz KKXKHOZNSGFDKB-GFCCVEGCSA-N 1 0 279.380 2.235 20 10 CECDRO Oc1ccc(Br)cc1C[N@@H+]1CCC2(COC2)C1 ZINC000827643133 636373588 /nfs/dbraw/zinc/37/35/88/636373588.db2.gz HJCWPDFBVCKTCK-UHFFFAOYSA-N 1 0 298.180 2.377 20 10 CECDRO COC(=O)NC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000827934694 636462666 /nfs/dbraw/zinc/46/26/66/636462666.db2.gz OEVFQBKUEAVWET-UHFFFAOYSA-N 1 0 278.352 2.021 20 10 CECDRO Cc1cc(Cn2cc(C[NH2+]C(C)C)nn2)ccc1N(C)C ZINC000905812901 636482199 /nfs/dbraw/zinc/48/21/99/636482199.db2.gz JIBIYIBMCDEVTJ-UHFFFAOYSA-N 1 0 287.411 2.199 20 10 CECDRO COCCN1CCC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834562668 637868388 /nfs/dbraw/zinc/86/83/88/637868388.db2.gz UYGPOJZGWYVXJM-GJZGRUSLSA-N 1 0 290.407 2.080 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCOC[C@H]1CCCO1)CC2 ZINC000834588336 637883181 /nfs/dbraw/zinc/88/31/81/637883181.db2.gz AXOJEIMKPIMJRZ-ZIAGYGMSSA-N 1 0 277.364 2.165 20 10 CECDRO CN(C)c1nccc(C[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000834702703 637923262 /nfs/dbraw/zinc/92/32/62/637923262.db2.gz STSXEVJOEPHPFN-CYBMUJFWSA-N 1 0 284.363 2.025 20 10 CECDRO CCOC(=O)N1CCC[N@H+](Cc2c(C)cccc2O)CC1 ZINC000876654310 650378785 /nfs/dbraw/zinc/37/87/85/650378785.db2.gz BQAUUZNECPKOQX-UHFFFAOYSA-N 1 0 292.379 2.365 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000834844787 637968681 /nfs/dbraw/zinc/96/86/81/637968681.db2.gz UYSXHIMBOLONSS-IINYFYTJSA-N 1 0 287.787 2.484 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000834880805 637976608 /nfs/dbraw/zinc/97/66/08/637976608.db2.gz ROJLTCSPXNBOSX-DVOMOZLQSA-N 1 0 279.380 2.403 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000834880664 637976676 /nfs/dbraw/zinc/97/66/76/637976676.db2.gz ASQCXFWDNHIMPA-YWPYICTPSA-N 1 0 265.353 2.094 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000834880470 637976900 /nfs/dbraw/zinc/97/69/00/637976900.db2.gz DGOAWIJTCQFXQU-XJKCOSOUSA-N 1 0 279.380 2.403 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000834881021 637977093 /nfs/dbraw/zinc/97/70/93/637977093.db2.gz JONYWMNGCZLFMP-YSVLISHTSA-N 1 0 292.423 2.455 20 10 CECDRO COCC(COC)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000834889934 637979298 /nfs/dbraw/zinc/97/92/98/637979298.db2.gz HLIDYELWUKARPS-GFCCVEGCSA-N 1 0 267.369 2.321 20 10 CECDRO CC[C@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1ccc(N(C)C)cc1 ZINC000834892494 637980385 /nfs/dbraw/zinc/98/03/85/637980385.db2.gz VOKYCEZAZCRSMQ-HOCLYGCPSA-N 1 0 289.423 2.414 20 10 CECDRO CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834900547 637981579 /nfs/dbraw/zinc/98/15/79/637981579.db2.gz QRZIYUUBQPGPIZ-ATZCPNFKSA-N 1 0 280.343 2.194 20 10 CECDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834897821 637981740 /nfs/dbraw/zinc/98/17/40/637981740.db2.gz WALZAWALRLJZGL-BXUZGUMPSA-N 1 0 271.364 2.334 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000834903999 637982820 /nfs/dbraw/zinc/98/28/20/637982820.db2.gz MCNUZJRWXJYDOV-BPLDGKMQSA-N 1 0 279.380 2.464 20 10 CECDRO CC[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(N(C)C)cc1 ZINC000834909602 637984932 /nfs/dbraw/zinc/98/49/32/637984932.db2.gz SOCJZVYJMCQTJT-RDJZCZTQSA-N 1 0 289.423 2.462 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(N(C)C)cc1)C(=O)NC ZINC000834910054 637985758 /nfs/dbraw/zinc/98/57/58/637985758.db2.gz CJEABLVJYSKKIE-LSDHHAIUSA-N 1 0 277.412 2.318 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1ccccc1O ZINC000834914456 637987252 /nfs/dbraw/zinc/98/72/52/637987252.db2.gz MYJZJDUSCFAFFX-OUCADQQQSA-N 1 0 274.364 2.196 20 10 CECDRO COC[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 ZINC000835025136 638028707 /nfs/dbraw/zinc/02/87/07/638028707.db2.gz FZEZSSYXYAWTBE-VGOKWCNXSA-N 1 0 290.407 2.113 20 10 CECDRO CC[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@@H]1O ZINC000835028888 638030686 /nfs/dbraw/zinc/03/06/86/638030686.db2.gz LVFMGBOFNJFZTM-HEDFYIJFSA-N 1 0 274.408 2.469 20 10 CECDRO CC(C)C(=O)NCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034284 638033000 /nfs/dbraw/zinc/03/30/00/638033000.db2.gz SGTATLHGJJGURM-WAYWQWQTSA-N 1 0 289.423 2.128 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCCNC2=O)cc1 ZINC000835037808 638033806 /nfs/dbraw/zinc/03/38/06/638033806.db2.gz XRUASKLPXUCXOX-SQRWCISFSA-N 1 0 287.407 2.024 20 10 CECDRO COCC[C@](C)(O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835040508 638035274 /nfs/dbraw/zinc/03/52/74/638035274.db2.gz QFJJCKOHKOMUMD-RTRPANQVSA-N 1 0 292.423 2.143 20 10 CECDRO C[C@H](C[S@](C)=O)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835047791 638037349 /nfs/dbraw/zinc/03/73/49/638037349.db2.gz JSARNEGJSVJADO-RRPBKPHYSA-N 1 0 280.437 2.122 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCCc2cnn(C)n2)cc1 ZINC000835052697 638040383 /nfs/dbraw/zinc/04/03/83/638040383.db2.gz IWDVIOBTRDEBAB-XQRVVYSFSA-N 1 0 299.422 2.117 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cc1C ZINC000835072272 638048292 /nfs/dbraw/zinc/04/82/92/638048292.db2.gz DZEUVLCEQDWVMP-CABCVRRESA-N 1 0 288.391 2.247 20 10 CECDRO CC[N@H+](Cc1c(C)cccc1O)[C@@H](C)CS(=O)(=O)CC ZINC000876734851 650413465 /nfs/dbraw/zinc/41/34/65/650413465.db2.gz AQADETLJCRJPKM-ZDUSSCGKSA-N 1 0 299.436 2.346 20 10 CECDRO COC(=O)[C@@H](COC(C)C)N(C)Cc1ccc(C)cc1O ZINC000876812817 650442855 /nfs/dbraw/zinc/44/28/55/650442855.db2.gz YZGNNPOBKWKJQS-CQSZACIVSA-N 1 0 295.379 2.099 20 10 CECDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)C1CCOCC1 ZINC000876905518 650480512 /nfs/dbraw/zinc/48/05/12/650480512.db2.gz IDBLBCHNZZJHMY-QGZVFWFLSA-N 1 0 292.423 2.284 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000876926478 650488564 /nfs/dbraw/zinc/48/85/64/650488564.db2.gz WOZMHYODYNSRRS-AWEZNQCLSA-N 1 0 283.375 2.446 20 10 CECDRO COc1cccc(C[NH2+]CCCCn2ccnc2)c1O ZINC000045094601 639392693 /nfs/dbraw/zinc/39/26/93/639392693.db2.gz LFTAGUWFBJGICK-UHFFFAOYSA-N 1 0 275.352 2.167 20 10 CECDRO CC[C@H](C(=O)N(C)c1ccc(N)cc1)[NH+](CC)CC ZINC000877077958 639519370 /nfs/dbraw/zinc/51/93/70/639519370.db2.gz XATLKIAJDNTFNG-CQSZACIVSA-N 1 0 263.385 2.352 20 10 CECDRO CC[N@@H+]1CCN(Cc2cc(F)ccc2O)C[C@@H]1C ZINC000226564830 639553896 /nfs/dbraw/zinc/55/38/96/639553896.db2.gz NDDWUYBHINNCDS-NSHDSACASA-N 1 0 252.333 2.057 20 10 CECDRO COCC[C@@](C)(O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840897578 639576496 /nfs/dbraw/zinc/57/64/96/639576496.db2.gz MFXLHRDBGNFWJI-CQSZACIVSA-N 1 0 287.787 2.231 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](CO)C2)c(Cl)c1 ZINC000840912183 639583195 /nfs/dbraw/zinc/58/31/95/639583195.db2.gz BYROCIMPZNRLPQ-JTQLQIEISA-N 1 0 255.745 2.168 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@H]1CCCCNC1=O ZINC000840912914 639584126 /nfs/dbraw/zinc/58/41/26/639584126.db2.gz PABHPPZDMVUFPK-INIZCTEOSA-N 1 0 289.423 2.162 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840930143 639589448 /nfs/dbraw/zinc/58/94/48/639589448.db2.gz JDZKOZPRVHOEPP-CQSZACIVSA-N 1 0 291.439 2.455 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000227439313 639590631 /nfs/dbraw/zinc/59/06/31/639590631.db2.gz JBNLOUDFNSZFES-VIFPVBQESA-N 1 0 269.650 2.058 20 10 CECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938394 639592273 /nfs/dbraw/zinc/59/22/73/639592273.db2.gz OLWJNTYEKJLTDT-NFAHFFEMSA-N 1 0 262.397 2.478 20 10 CECDRO CO[C@]1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CCOC1 ZINC000840938382 639593008 /nfs/dbraw/zinc/59/30/08/639593008.db2.gz CRKFVFZKLZKMGQ-AWEZNQCLSA-N 1 0 285.771 2.249 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(CCO)CC1 ZINC000840939316 639594244 /nfs/dbraw/zinc/59/42/44/639594244.db2.gz MTEDHSSFKJSSHO-UHFFFAOYSA-N 1 0 262.397 2.313 20 10 CECDRO COCCC[N@H+](CCO)Cc1c(O)cc(C)cc1Cl ZINC000840940189 639594259 /nfs/dbraw/zinc/59/42/59/639594259.db2.gz VUZSKVXXLUXYBD-UHFFFAOYSA-N 1 0 287.787 2.185 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCC(C)(C)S(C)(=O)=O)c1 ZINC000840960156 639601355 /nfs/dbraw/zinc/60/13/55/639601355.db2.gz FJZXWHMTSQHGBZ-UHFFFAOYSA-N 1 0 285.409 2.004 20 10 CECDRO CO[C@@](C)([C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000840961776 639602525 /nfs/dbraw/zinc/60/25/25/639602525.db2.gz ZEDCBUQRMFPLNL-QFYYESIMSA-N 1 0 293.363 2.414 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1O ZINC000840980354 639608291 /nfs/dbraw/zinc/60/82/91/639608291.db2.gz XHJROWMCZUYIHR-GXTWGEPZSA-N 1 0 279.380 2.384 20 10 CECDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000840978548 639609097 /nfs/dbraw/zinc/60/90/97/639609097.db2.gz OIMYYEWHCWHKJV-WDEREUQCSA-N 1 0 253.317 2.124 20 10 CECDRO CCCC[C@@H](CN)[NH2+]Cc1cc(OC)ccc1O ZINC000841030825 639622881 /nfs/dbraw/zinc/62/28/81/639622881.db2.gz ZVKPSUZCBLHHRQ-LBPRGKRZSA-N 1 0 252.358 2.008 20 10 CECDRO Cc1ncsc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045788 639630987 /nfs/dbraw/zinc/63/09/87/639630987.db2.gz QBZFNZIFLJWMGL-CQSZACIVSA-N 1 0 290.436 2.307 20 10 CECDRO [NH3+][C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000841049637 639632070 /nfs/dbraw/zinc/63/20/70/639632070.db2.gz MNGPNBYNOWFCNC-NSHDSACASA-N 1 0 258.724 2.012 20 10 CECDRO Cc1cc(N)cc(C[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000841071284 639642022 /nfs/dbraw/zinc/64/20/22/639642022.db2.gz MIRNKGCBULCTFP-UHFFFAOYSA-N 1 0 286.331 2.301 20 10 CECDRO Cc1cc(O)c(CN[C@H](CC[NH3+])C(F)F)cc1C ZINC000841073694 639644998 /nfs/dbraw/zinc/64/49/98/639644998.db2.gz KCBRNCFENFYESC-LLVKDONJSA-N 1 0 258.312 2.081 20 10 CECDRO [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000841084651 639650801 /nfs/dbraw/zinc/65/08/01/639650801.db2.gz MNQSMHHSVMEDJH-GZMMTYOYSA-N 1 0 272.751 2.402 20 10 CECDRO CC1(C)[NH2+]CC[C@@H]1NCc1cc(Br)ccc1O ZINC000841085431 639650827 /nfs/dbraw/zinc/65/08/27/639650827.db2.gz CFKFAANQALHRGS-LBPRGKRZSA-N 1 0 299.212 2.385 20 10 CECDRO Oc1ccc(Br)cc1CN[C@H]1CCCC[NH2+]C1 ZINC000841090337 639653560 /nfs/dbraw/zinc/65/35/60/639653560.db2.gz ODVUUSLSQWYQKE-LBPRGKRZSA-N 1 0 299.212 2.386 20 10 CECDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000228794848 639659449 /nfs/dbraw/zinc/65/94/49/639659449.db2.gz RGSLBUHZMBSYNR-SNVBAGLBSA-N 1 0 268.332 2.050 20 10 CECDRO C[C@H]([NH2+]CC(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000228796292 639659705 /nfs/dbraw/zinc/65/97/05/639659705.db2.gz BJHGUZBANGYKPC-ZDUSSCGKSA-N 1 0 275.396 2.026 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)C(=O)NC(C)C)cc1C ZINC000228941847 639665491 /nfs/dbraw/zinc/66/54/91/639665491.db2.gz VKDHVIDGTWFWJR-LBPRGKRZSA-N 1 0 264.369 2.006 20 10 CECDRO Nc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000841302171 639733026 /nfs/dbraw/zinc/73/30/26/639733026.db2.gz NWBGIQHCCKKOEN-UHFFFAOYSA-N 1 0 297.362 2.018 20 10 CECDRO C[C@@H](CNC(=O)Nc1ccc(N)cc1)C[NH+]1CCCC1 ZINC000062070012 639734892 /nfs/dbraw/zinc/73/48/92/639734892.db2.gz QWMSLDJKAHFHCS-LBPRGKRZSA-N 1 0 276.384 2.122 20 10 CECDRO Cc1ccc(C[NH2+]CCC(=O)NCc2ccccc2)c(O)c1 ZINC000876991111 650522514 /nfs/dbraw/zinc/52/25/14/650522514.db2.gz HKOHNEXIVFNWBG-UHFFFAOYSA-N 1 0 298.386 2.497 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC(OC)C2)c1 ZINC000230673641 639778344 /nfs/dbraw/zinc/77/83/44/639778344.db2.gz HUOJZMHSDSFFMO-BMQDGWLCSA-N 1 0 251.326 2.229 20 10 CECDRO CC[C@H]([NH3+])CNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000841717544 639848107 /nfs/dbraw/zinc/84/81/07/639848107.db2.gz KJNZVHZZRJXWSI-AWEZNQCLSA-N 1 0 292.427 2.069 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)NCC(C)(C)[NH3+])cc1 ZINC000841720356 639848986 /nfs/dbraw/zinc/84/89/86/639848986.db2.gz WHPSIEMQIYEQRT-UHFFFAOYSA-N 1 0 292.427 2.069 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CC[NH3+])cc1 ZINC000841719225 639849309 /nfs/dbraw/zinc/84/93/09/639849309.db2.gz GPRHFDZFUORNCK-ZDUSSCGKSA-N 1 0 292.427 2.069 20 10 CECDRO Cc1cc(C[NH2+]CCCSc2nccs2)n(C)n1 ZINC000841865121 639891299 /nfs/dbraw/zinc/89/12/99/639891299.db2.gz LFSMQIRNMROVNS-UHFFFAOYSA-N 1 0 282.438 2.457 20 10 CECDRO CC[C@@H](C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1)OC ZINC000842153936 639968111 /nfs/dbraw/zinc/96/81/11/639968111.db2.gz XHLZRGLTRBOJCO-AWEZNQCLSA-N 1 0 296.386 2.381 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCC1CC1 ZINC000088454308 639976143 /nfs/dbraw/zinc/97/61/43/639976143.db2.gz CQWXWJHHFUAYGS-UHFFFAOYSA-N 1 0 260.381 2.413 20 10 CECDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000842674455 640145583 /nfs/dbraw/zinc/14/55/83/640145583.db2.gz PIYADFCZDMCMRO-YCPHGPKFSA-N 1 0 290.407 2.351 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842720375 640158452 /nfs/dbraw/zinc/15/84/52/640158452.db2.gz GRKUPTGQWGEIEM-OAHLLOKOSA-N 1 0 289.423 2.242 20 10 CECDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000842754599 640170838 /nfs/dbraw/zinc/17/08/38/640170838.db2.gz QSWDLJPRPYGNJB-CMPLNLGQSA-N 1 0 281.352 2.008 20 10 CECDRO CC(C)(C[NH2+][C@@H]1CCc2cccc(O)c21)[C@@]1(O)CCOC1 ZINC000842920950 640221292 /nfs/dbraw/zinc/22/12/92/640221292.db2.gz UKQTUCQXFLRAEZ-CXAGYDPISA-N 1 0 291.391 2.147 20 10 CECDRO COc1cc(O)c(CN2CCCC[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000843044718 640250115 /nfs/dbraw/zinc/25/01/15/640250115.db2.gz GHEHQPMUJDQNGN-DGCLKSJQSA-N 1 0 294.395 2.111 20 10 CECDRO C[NH2+][C@@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000843045542 640251549 /nfs/dbraw/zinc/25/15/49/640251549.db2.gz UUHNJYGFVRKRAD-GFCCVEGCSA-N 1 0 299.212 2.257 20 10 CECDRO C[NH2+]C1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000843049718 640253524 /nfs/dbraw/zinc/25/35/24/640253524.db2.gz TWCSJKFHFIVJDV-PLNGDYQASA-N 1 0 273.424 2.450 20 10 CECDRO C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000843052260 640255249 /nfs/dbraw/zinc/25/52/49/640255249.db2.gz RGCUOZWOCKUNFT-BXUZGUMPSA-N 1 0 265.376 2.061 20 10 CECDRO CN(C(=O)c1cccn1C1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000877079159 650562994 /nfs/dbraw/zinc/56/29/94/650562994.db2.gz SSLNLSDJSFLRFU-UHFFFAOYSA-N 1 0 298.390 2.271 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000877081611 650563850 /nfs/dbraw/zinc/56/38/50/650563850.db2.gz DIGLQDWTIRWIKC-LBPRGKRZSA-N 1 0 276.380 2.190 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000843119901 640288559 /nfs/dbraw/zinc/28/85/59/640288559.db2.gz LZHMNELCAFSCSQ-UONOGXRCSA-N 1 0 261.413 2.243 20 10 CECDRO Cc1cccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)c1O ZINC000843120475 640289303 /nfs/dbraw/zinc/28/93/03/640289303.db2.gz MGHHWXOPVOQXIL-MRXNPFEDSA-N 1 0 283.375 2.242 20 10 CECDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1C)C1CC1 ZINC000152694223 640303795 /nfs/dbraw/zinc/30/37/95/640303795.db2.gz JWFLKEAEMOKMNO-UHFFFAOYSA-N 1 0 289.423 2.162 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c1O ZINC000914432976 640403584 /nfs/dbraw/zinc/40/35/84/640403584.db2.gz INOWKGZQEBAZQS-UONOGXRCSA-N 1 0 277.364 2.306 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2COC[C@@H]2C2CC2)c1 ZINC000914433127 640405059 /nfs/dbraw/zinc/40/50/59/640405059.db2.gz KMHSAVRKUNAIMK-CABCVRRESA-N 1 0 277.364 2.306 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843364442 640405091 /nfs/dbraw/zinc/40/50/91/640405091.db2.gz IGBOMRCSZSTVJL-KOLCDFICSA-N 1 0 296.798 2.417 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000914435591 640406726 /nfs/dbraw/zinc/40/67/26/640406726.db2.gz HSEDXUDQEZWFJI-QWHCGFSZSA-N 1 0 251.301 2.046 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CC[NH3+])c1O ZINC000843384952 640412232 /nfs/dbraw/zinc/41/22/32/640412232.db2.gz LQJFMLCVWIXFAD-AWEZNQCLSA-N 1 0 294.370 2.437 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000843412139 640418925 /nfs/dbraw/zinc/41/89/25/640418925.db2.gz AYWUKFWQTCIJAZ-CQSZACIVSA-N 1 0 276.380 2.129 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC000843414482 640419627 /nfs/dbraw/zinc/41/96/27/640419627.db2.gz GBWJDXDRBURYOI-AWEZNQCLSA-N 1 0 284.363 2.177 20 10 CECDRO CCc1nn(C)c(OC)c1C[NH2+]Cc1ccc(C)cc1O ZINC000877135211 650589068 /nfs/dbraw/zinc/58/90/68/650589068.db2.gz TXEZWUGGPYMMPP-UHFFFAOYSA-N 1 0 289.379 2.295 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CCC(C)=O)cc1 ZINC000844398716 640707638 /nfs/dbraw/zinc/70/76/38/640707638.db2.gz ACYLBMOFXCFMDK-UHFFFAOYSA-N 1 0 264.369 2.042 20 10 CECDRO CCC[C@@H](O)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402902 640709089 /nfs/dbraw/zinc/70/90/89/640709089.db2.gz WJIDERCEIRGJBC-OAHLLOKOSA-N 1 0 280.412 2.224 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[NH2+]CC1CC1 ZINC000154143584 640813202 /nfs/dbraw/zinc/81/32/02/640813202.db2.gz IXMJENBLSYRSTB-UHFFFAOYSA-N 1 0 276.380 2.130 20 10 CECDRO [NH3+]CC1(CC[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000844903643 640861505 /nfs/dbraw/zinc/86/15/05/640861505.db2.gz IYDFQPKLYHJITN-UHFFFAOYSA-N 1 0 254.761 2.264 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cncnc2OC)c1 ZINC000845971910 641142017 /nfs/dbraw/zinc/14/20/17/641142017.db2.gz NZWWHMXPCDGRQQ-SNVBAGLBSA-N 1 0 289.335 2.050 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846009417 641149485 /nfs/dbraw/zinc/14/94/85/641149485.db2.gz ZEQTVVSDMVATNB-UHFFFAOYSA-N 1 0 265.328 2.268 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1ccccc1O ZINC000846096358 641179387 /nfs/dbraw/zinc/17/93/87/641179387.db2.gz GWODYRQELKZHGG-JSGCOSHPSA-N 1 0 276.380 2.301 20 10 CECDRO OC[C@H](CCF)[NH2+]Cc1ccc2ccccc2c1O ZINC000846096431 641179838 /nfs/dbraw/zinc/17/98/38/641179838.db2.gz HTIQLYWWAQCEHN-ZDUSSCGKSA-N 1 0 263.312 2.356 20 10 CECDRO CC[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccccc1O ZINC000846108708 641184305 /nfs/dbraw/zinc/18/43/05/641184305.db2.gz QTYGKMRMFNQUKM-GDBMZVCRSA-N 1 0 279.380 2.365 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)c1 ZINC000846117698 641190663 /nfs/dbraw/zinc/19/06/63/641190663.db2.gz FGAMHWLKZBPISW-UKRRQHHQSA-N 1 0 277.364 2.079 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCOC2)c1O ZINC000846143572 641200401 /nfs/dbraw/zinc/20/04/01/641200401.db2.gz JPZBVYHWUHUFLD-NEPJUHHUSA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1O ZINC000846148380 641203475 /nfs/dbraw/zinc/20/34/75/641203475.db2.gz YJZJBAACEJLVLH-LLVKDONJSA-N 1 0 292.379 2.097 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1O ZINC000846168837 641210612 /nfs/dbraw/zinc/21/06/12/641210612.db2.gz MOVCUBPQSLTABO-VXGBXAGGSA-N 1 0 289.379 2.416 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)C2CCC2)c1O ZINC000846170297 641211511 /nfs/dbraw/zinc/21/15/11/641211511.db2.gz WKVRVXZNYISYRH-GXFFZTMASA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CN(C)C)c1O ZINC000846174513 641212858 /nfs/dbraw/zinc/21/28/58/641212858.db2.gz WZGSCYFETJMVFJ-WDEREUQCSA-N 1 0 252.358 2.002 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC[C@]2(O)CCOC2)c(O)c1C ZINC000846192352 641219307 /nfs/dbraw/zinc/21/93/07/641219307.db2.gz HQOFQGRQMWLWEW-BBRMVZONSA-N 1 0 279.380 2.201 20 10 CECDRO CCN1C[C@@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000846209995 641222631 /nfs/dbraw/zinc/22/26/31/641222631.db2.gz VFSILPSFIRXPDK-ZIAGYGMSSA-N 1 0 289.423 2.272 20 10 CECDRO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(F)ccc1O ZINC000846214133 641225106 /nfs/dbraw/zinc/22/51/06/641225106.db2.gz SKEUTHVDMOFDAV-IAQYHMDHSA-N 1 0 283.343 2.114 20 10 CECDRO Cc1ncsc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000071213059 641730606 /nfs/dbraw/zinc/73/06/06/641730606.db2.gz BUHNESQKYWADDF-UHFFFAOYSA-N 1 0 278.333 2.176 20 10 CECDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185530214 641989723 /nfs/dbraw/zinc/98/97/23/641989723.db2.gz GEJYENDEVSNJJN-NWDGAFQWSA-N 1 0 269.410 2.465 20 10 CECDRO COCC1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000848560960 642054766 /nfs/dbraw/zinc/05/47/66/642054766.db2.gz NOIZXAWCRCAIGJ-NSHDSACASA-N 1 0 265.353 2.478 20 10 CECDRO C[C@H](Cc1ccccn1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000848567459 642057171 /nfs/dbraw/zinc/05/71/71/642057171.db2.gz WBRJLUYMNSGIPZ-LLVKDONJSA-N 1 0 286.331 2.237 20 10 CECDRO CCc1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1O ZINC000848881964 642167924 /nfs/dbraw/zinc/16/79/24/642167924.db2.gz VDHLJISUBCENRN-UHFFFAOYSA-N 1 0 276.380 2.042 20 10 CECDRO CCc1cccc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1O ZINC000848883113 642169463 /nfs/dbraw/zinc/16/94/63/642169463.db2.gz JOYRCIPJVWKDEJ-AWEZNQCLSA-N 1 0 276.380 2.185 20 10 CECDRO CCc1cccc(C[NH2+]CCOC[C@H]2CCOC2)c1O ZINC000848896152 642176164 /nfs/dbraw/zinc/17/61/64/642176164.db2.gz TXAONCJMKZDDBB-ZDUSSCGKSA-N 1 0 279.380 2.097 20 10 CECDRO CCc1cccc(C[NH2+]C[C@]2(N(C)C)CCSC2)c1O ZINC000848897434 642177069 /nfs/dbraw/zinc/17/70/69/642177069.db2.gz ITAWVKPECSRQRW-MRXNPFEDSA-N 1 0 294.464 2.482 20 10 CECDRO CCc1cccc(C[N@@H+]2CCN(CC)C(=O)[C@@H]2CC)c1O ZINC000848903775 642181516 /nfs/dbraw/zinc/18/15/16/642181516.db2.gz DBOPYRMWDSHWSM-HNNXBMFYSA-N 1 0 290.407 2.397 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1O ZINC000848906323 642183136 /nfs/dbraw/zinc/18/31/36/642183136.db2.gz SYBIHPONGOAFPW-HNNXBMFYSA-N 1 0 288.391 2.151 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@H](CO)COC(C)C)c1O ZINC000848911503 642186602 /nfs/dbraw/zinc/18/66/02/642186602.db2.gz GGCWJAOMAFKGKO-OAHLLOKOSA-N 1 0 281.396 2.172 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1O ZINC000848918797 642191917 /nfs/dbraw/zinc/19/19/17/642191917.db2.gz MIIYHOWWTIEMMN-GFCCVEGCSA-N 1 0 288.391 2.055 20 10 CECDRO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C)cc1O ZINC000877464722 650731638 /nfs/dbraw/zinc/73/16/38/650731638.db2.gz LPANPSLEPIQSPX-BJJXKVORSA-N 1 0 289.375 2.474 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2O)[C@H]1C ZINC000877466969 650732862 /nfs/dbraw/zinc/73/28/62/650732862.db2.gz UTBPCVCZWGPUJW-AAEUAGOBSA-N 1 0 263.337 2.084 20 10 CECDRO CCOCC[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000771634933 642224719 /nfs/dbraw/zinc/22/47/19/642224719.db2.gz FTMJIOKRQVGPNC-UHFFFAOYSA-N 1 0 260.337 2.409 20 10 CECDRO [NH2+]=C(NCc1c(O)ccc2c1CCCC2)N1CCC1 ZINC000849011053 642227702 /nfs/dbraw/zinc/22/77/02/642227702.db2.gz LYKKDISNINBFGX-UHFFFAOYSA-N 1 0 259.353 2.001 20 10 CECDRO COc1ccc(CNC(=[NH2+])N2CCC[C@H](C)C2)c(O)c1 ZINC000849025152 642238748 /nfs/dbraw/zinc/23/87/48/642238748.db2.gz QBXRPYUKGBDTTC-NSHDSACASA-N 1 0 277.368 2.157 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)c(O)c1 ZINC000877500338 650753782 /nfs/dbraw/zinc/75/37/82/650753782.db2.gz SBJVEDJVYVJODA-AWEZNQCLSA-N 1 0 297.420 2.100 20 10 CECDRO COCCO[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877502314 650753742 /nfs/dbraw/zinc/75/37/42/650753742.db2.gz FOQNWRHQSJMTMP-AWEZNQCLSA-N 1 0 279.380 2.328 20 10 CECDRO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c(O)c1 ZINC000877530985 650770954 /nfs/dbraw/zinc/77/09/54/650770954.db2.gz HFDWRDIIQHJVIZ-ZFWWWQNUSA-N 1 0 262.397 2.473 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2COC(C)(C)C2)c(O)c1 ZINC000850342005 642673478 /nfs/dbraw/zinc/67/34/78/642673478.db2.gz PDIGATDFVNTWRQ-LBPRGKRZSA-N 1 0 265.353 2.448 20 10 CECDRO CO[C@H](C[NH2+]Cc1cc(Cl)ccc1O)[C@H]1CCOC1 ZINC000850344528 642674778 /nfs/dbraw/zinc/67/47/78/642674778.db2.gz LSQGPMCNULBLMC-IINYFYTJSA-N 1 0 285.771 2.187 20 10 CECDRO Cc1ccc(C[N@H+]2CC[C@H](c3nccn3C)C2)c(O)c1 ZINC000877528925 650769318 /nfs/dbraw/zinc/76/93/18/650769318.db2.gz NYAOFSBGDCQIFV-AWEZNQCLSA-N 1 0 271.364 2.424 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2C[C@H](OCC)C2)c(O)c1 ZINC000850360699 642682545 /nfs/dbraw/zinc/68/25/45/642682545.db2.gz NDJJLWKELZCBBN-MQMHXKEQSA-N 1 0 265.353 2.448 20 10 CECDRO COc1cccc(O)c1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000850380041 642692221 /nfs/dbraw/zinc/69/22/21/642692221.db2.gz NROANWORYMEYLM-UHFFFAOYSA-N 1 0 287.363 2.302 20 10 CECDRO C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921825243 642695083 /nfs/dbraw/zinc/69/50/83/642695083.db2.gz KZXZDZJTLKKYEL-CZUORRHYSA-N 1 0 291.391 2.295 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)c1ccccc1O ZINC000850485155 642728678 /nfs/dbraw/zinc/72/86/78/642728678.db2.gz YCDBVEORJZBNSN-DUVNUKRYSA-N 1 0 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10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c(O)c1 ZINC000769709733 646305200 /nfs/dbraw/zinc/30/52/00/646305200.db2.gz JKALBZAACSABLZ-WCQYABFASA-N 1 0 265.353 2.448 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2CCO)c1 ZINC000770306621 646378171 /nfs/dbraw/zinc/37/81/71/646378171.db2.gz ZDOMHOLARBXKIL-ZDUSSCGKSA-N 1 0 297.420 2.091 20 10 CECDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCNC1=O ZINC000770377498 646384041 /nfs/dbraw/zinc/38/40/41/646384041.db2.gz ACDNNHKEWFECPG-INIZCTEOSA-N 1 0 296.370 2.380 20 10 CECDRO CCN(CC)c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000770395470 646387041 /nfs/dbraw/zinc/38/70/41/646387041.db2.gz RJJYZYDBFUNZMT-HUUCEWRRSA-N 1 0 291.414 2.323 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC2(CO)CC2)cc1 ZINC000118906968 646416902 /nfs/dbraw/zinc/41/69/02/646416902.db2.gz GRSIYRMKVQFRCD-UHFFFAOYSA-N 1 0 262.397 2.395 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000770665546 646423002 /nfs/dbraw/zinc/42/30/02/646423002.db2.gz MJXSAHUDFRPPKI-UHFFFAOYSA-N 1 0 277.364 2.442 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]2CO)cc1F ZINC000862388073 646432114 /nfs/dbraw/zinc/43/21/14/646432114.db2.gz WNCXIVIPJGZMBB-QMTHXVAHSA-N 1 0 284.350 2.281 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000862467680 646471830 /nfs/dbraw/zinc/47/18/30/646471830.db2.gz WZGGHTVEXAXYAJ-ZDUSSCGKSA-N 1 0 292.354 2.243 20 10 CECDRO COC(=O)CC1CC([NH2+]Cc2cc(C)ccc2O)C1 ZINC000862478892 646473540 /nfs/dbraw/zinc/47/35/40/646473540.db2.gz VQFJRTYWXSGIFT-UHFFFAOYSA-N 1 0 263.337 2.132 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1Cl ZINC000862527913 646483440 /nfs/dbraw/zinc/48/34/40/646483440.db2.gz KFGISHCAIVZIBL-JGZJWPJOSA-N 1 0 255.745 2.215 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1O ZINC000862528046 646483839 /nfs/dbraw/zinc/48/38/39/646483839.db2.gz NJYDACBDRLFTGM-WVSHTKLVSA-N 1 0 255.745 2.215 20 10 CECDRO CCC(O)(CC)C[N@H+](C)Cc1cc(OC)ccc1O ZINC000862539036 646488816 /nfs/dbraw/zinc/48/88/16/646488816.db2.gz HQOOQUCPSHGJPM-UHFFFAOYSA-N 1 0 267.369 2.384 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN(C)CC(F)F ZINC000862551419 646496450 /nfs/dbraw/zinc/49/64/50/646496450.db2.gz UUELEDCYCREIOI-UHFFFAOYSA-N 1 0 285.382 2.348 20 10 CECDRO CCOc1ccc(C[N@H+](C)CC(=O)N(CC)CC)c(O)c1 ZINC000771934251 646573440 /nfs/dbraw/zinc/57/34/40/646573440.db2.gz ZUNGFRQGPZBLIE-UHFFFAOYSA-N 1 0 294.395 2.091 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](CCF)C1)CCC2 ZINC000863316961 646703197 /nfs/dbraw/zinc/70/31/97/646703197.db2.gz URAHNHNVPFMJIE-OAHLLOKOSA-N 1 0 279.355 2.441 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN2CCC2)cc1 ZINC000773091850 646706284 /nfs/dbraw/zinc/70/62/84/646706284.db2.gz KTINIVXVKNYGCK-AWEZNQCLSA-N 1 0 261.413 2.499 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1c(O)cccc1Cl ZINC000863481828 646739412 /nfs/dbraw/zinc/73/94/12/646739412.db2.gz LSVDTYRVZPWNON-NWDGAFQWSA-N 1 0 254.761 2.276 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(Cl)ccc1O ZINC000863484100 646740400 /nfs/dbraw/zinc/74/04/00/646740400.db2.gz TZGBMLXBAVFAKQ-NWDGAFQWSA-N 1 0 254.761 2.276 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)cc1 ZINC000773751726 646772506 /nfs/dbraw/zinc/77/25/06/646772506.db2.gz GKRDHHJQJYZRCQ-KRWDZBQOSA-N 1 0 292.423 2.116 20 10 CECDRO CCN(C)c1ccc(C[NH2+][C@](C)(CCO)COC)cc1 ZINC000773766277 646774752 /nfs/dbraw/zinc/77/47/52/646774752.db2.gz QCKGIEZHDNBSEX-MRXNPFEDSA-N 1 0 280.412 2.020 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCSC[C@H]2CCO)cc1 ZINC000773767120 646775008 /nfs/dbraw/zinc/77/50/08/646775008.db2.gz WYCLKKWGEQQZKE-MRXNPFEDSA-N 1 0 294.464 2.443 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1 ZINC000773862434 646782219 /nfs/dbraw/zinc/78/22/19/646782219.db2.gz YUXLPYXHZFZYFP-UHFFFAOYSA-N 1 0 298.390 2.197 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCC[C@H]1OC ZINC000774828508 646900671 /nfs/dbraw/zinc/90/06/71/646900671.db2.gz CQLDPMDJIWFPLN-BXUZGUMPSA-N 1 0 265.353 2.306 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1O ZINC000775500936 646960670 /nfs/dbraw/zinc/96/06/70/646960670.db2.gz MJLMXDUCKIMGIT-PWSUYJOCSA-N 1 0 282.771 2.317 20 10 CECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)c(F)c1)C[C@H](C)O ZINC000120013272 646981417 /nfs/dbraw/zinc/98/14/17/646981417.db2.gz AXLRIEIKJNRWSU-LBPRGKRZSA-N 1 0 268.376 2.483 20 10 CECDRO Cc1cccc(C[N@@H+]2CCSC[C@H]2CCO)c1O ZINC000775736933 646986056 /nfs/dbraw/zinc/98/60/56/646986056.db2.gz HBGBQQYOTVYQTP-CYBMUJFWSA-N 1 0 267.394 2.000 20 10 CECDRO C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000775832342 646997103 /nfs/dbraw/zinc/99/71/03/646997103.db2.gz ZGSCSSGRLWTPLJ-LBPRGKRZSA-N 1 0 275.396 2.024 20 10 CECDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc(OC)ccc1O ZINC000776220677 647038222 /nfs/dbraw/zinc/03/82/22/647038222.db2.gz YRKSZVMFPVQDSZ-WCQYABFASA-N 1 0 267.369 2.288 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccccc1O ZINC000779060674 647284851 /nfs/dbraw/zinc/28/48/51/647284851.db2.gz HXZMTXTWBQHKPI-NEPJUHHUSA-N 1 0 257.337 2.254 20 10 CECDRO CNC(=O)C1([NH2+]Cc2cc(Cl)ccc2O)CCCC1 ZINC000779175376 647294672 /nfs/dbraw/zinc/29/46/72/647294672.db2.gz FCAZMMNDLDXFQG-UHFFFAOYSA-N 1 0 282.771 2.194 20 10 CECDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)CC[C@@H]1O ZINC000779199545 647295615 /nfs/dbraw/zinc/29/56/15/647295615.db2.gz DZALXAZLAWQBBJ-CABZTGNLSA-N 1 0 255.745 2.248 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1F ZINC000779202272 647297058 /nfs/dbraw/zinc/29/70/58/647297058.db2.gz MFZHQSFRKOQQES-CYBMUJFWSA-N 1 0 266.360 2.239 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000779347195 647315537 /nfs/dbraw/zinc/31/55/37/647315537.db2.gz LENVIYYQQCXAHY-GJZGRUSLSA-N 1 0 262.397 2.310 20 10 CECDRO CS[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000865734332 647444479 /nfs/dbraw/zinc/44/44/79/647444479.db2.gz SXFGZCZTXRPKRE-MGCOHNPYSA-N 1 0 267.350 2.105 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cc1OC ZINC000780891853 647477841 /nfs/dbraw/zinc/47/78/41/647477841.db2.gz AOAOKUABIYAURT-NEPJUHHUSA-N 1 0 295.379 2.002 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](COC)OC)cc1F ZINC000781415393 647525374 /nfs/dbraw/zinc/52/53/74/647525374.db2.gz IJNWDWGHSRYXQI-CQSZACIVSA-N 1 0 298.402 2.423 20 10 CECDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000782981111 647667718 /nfs/dbraw/zinc/66/77/18/647667718.db2.gz XXUBWTOMXYGDPR-QWRGUYRKSA-N 1 0 254.349 2.141 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCOCC1 ZINC000783239564 647699639 /nfs/dbraw/zinc/69/96/39/647699639.db2.gz YWOWWLGIEYULRW-MRXNPFEDSA-N 1 0 291.391 2.153 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000866297856 647721070 /nfs/dbraw/zinc/72/10/70/647721070.db2.gz OCHJPWVBZGFQNC-BPUTZDHNSA-N 1 0 289.375 2.448 20 10 CECDRO COc1cccc(O)c1C[NH+]1CCC(CCCO)CC1 ZINC000783599485 647735504 /nfs/dbraw/zinc/73/55/04/647735504.db2.gz PLPIHPKRMSXICX-UHFFFAOYSA-N 1 0 279.380 2.385 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1F ZINC000783737422 647754856 /nfs/dbraw/zinc/75/48/56/647754856.db2.gz ZXOFTJJIEFQSND-PBHICJAKSA-N 1 0 292.398 2.486 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc(F)ccc1O ZINC000866413785 647778971 /nfs/dbraw/zinc/77/89/71/647778971.db2.gz WGIARTMOFULALZ-YPMHNXCESA-N 1 0 296.386 2.027 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@H]1CCN(C2CCC2)C1=O ZINC000866659012 647858461 /nfs/dbraw/zinc/85/84/61/647858461.db2.gz GJJMFNNIDUODBI-KRWDZBQOSA-N 1 0 299.418 2.051 20 10 CECDRO C[C@H](O)CCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000788530000 648199404 /nfs/dbraw/zinc/19/94/04/648199404.db2.gz USLQWXWILURTFN-NSHDSACASA-N 1 0 254.349 2.142 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1C ZINC000790619746 648435398 /nfs/dbraw/zinc/43/53/98/648435398.db2.gz RGZIXZQGCMKQNA-ZBFHGGJFSA-N 1 0 295.423 2.257 20 10 CECDRO COCC1([NH2+]Cc2cc(OC)c(OC)cc2O)CCC1 ZINC000793620368 648783029 /nfs/dbraw/zinc/78/30/29/648783029.db2.gz OHTJYSZYQQLHTI-UHFFFAOYSA-N 1 0 281.352 2.068 20 10 CECDRO CCC1([NH+](C)C)CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000870572899 648837579 /nfs/dbraw/zinc/83/75/79/648837579.db2.gz FMPWAZBBSSZMDA-UHFFFAOYSA-N 1 0 292.379 2.044 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870888198 648943971 /nfs/dbraw/zinc/94/39/71/648943971.db2.gz KTHZZCKKXCYXCK-OTVXOJSOSA-N 1 0 289.423 2.195 20 10 CECDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204448 649031695 /nfs/dbraw/zinc/03/16/95/649031695.db2.gz JTAGWILLNDJCEW-NSHDSACASA-N 1 0 276.380 2.401 20 10 CECDRO Nc1ccc(Cc2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1 ZINC000871792195 649187978 /nfs/dbraw/zinc/18/79/78/649187978.db2.gz QQSAQMCNLKLZLD-QXMXGUDHSA-N 1 0 284.363 2.241 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1O ZINC000872113166 649281751 /nfs/dbraw/zinc/28/17/51/649281751.db2.gz MSEUUERGRHHXIP-NWDGAFQWSA-N 1 0 293.363 2.395 20 10 CECDRO COc1cccc(C[N@@H+]2CCN(C)c3ncccc3C2)c1O ZINC000872264925 649333110 /nfs/dbraw/zinc/33/31/10/649333110.db2.gz GXBJAQPUGKLLEJ-UHFFFAOYSA-N 1 0 299.374 2.248 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H](C)OC)cc1Cn1cccn1 ZINC000873111926 649559526 /nfs/dbraw/zinc/55/95/26/649559526.db2.gz KAXWHIVVHILPCP-CYBMUJFWSA-N 1 0 289.379 2.065 20 10 CECDRO COc1ccc(C[NH2+]C[C@H](C)OC)cc1Cn1cccn1 ZINC000873111927 649559987 /nfs/dbraw/zinc/55/99/87/649559987.db2.gz KAXWHIVVHILPCP-ZDUSSCGKSA-N 1 0 289.379 2.065 20 10 CECDRO CCCOc1ccc(C[NH2+]CC(=O)N(CC)OC)cc1C ZINC000873135130 649566399 /nfs/dbraw/zinc/56/63/99/649566399.db2.gz XOKNIFRHEPIFET-UHFFFAOYSA-N 1 0 294.395 2.283 20 10 CECDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000873162497 649576282 /nfs/dbraw/zinc/57/62/82/649576282.db2.gz MWWXIPXOHAPTCU-JTQLQIEISA-N 1 0 283.755 2.479 20 10 CECDRO C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C[NH3+] ZINC000873217340 649593736 /nfs/dbraw/zinc/59/37/36/649593736.db2.gz ZZOYOKPEMYWQHN-GXSJLCMTSA-N 1 0 254.761 2.072 20 10 CECDRO Nc1ccc2c(c1)OCC[N@@H+](Cc1ccccc1O)C2 ZINC000873219583 649594746 /nfs/dbraw/zinc/59/47/46/649594746.db2.gz LXUKZSBDCYUVHZ-UHFFFAOYSA-N 1 0 270.332 2.369 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[NH+](C)C ZINC000874232271 649755065 /nfs/dbraw/zinc/75/50/65/649755065.db2.gz SXFAUKBDVMULEI-CYBMUJFWSA-N 1 0 277.412 2.051 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000127213795 651136390 /nfs/dbraw/zinc/13/63/90/651136390.db2.gz JZPYTDKGJSYDGW-QWHCGFSZSA-N 1 0 298.452 2.226 20 10 CECDRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)on1 ZINC000879649316 651335350 /nfs/dbraw/zinc/33/53/50/651335350.db2.gz QILPLDACNGOXCK-MNOVXSKESA-N 1 0 289.335 2.366 20 10 CECDRO C[C@@H]([NH2+]CC(=O)N1CCCC[C@H]1C)c1ccccc1O ZINC000879649682 651335369 /nfs/dbraw/zinc/33/53/69/651335369.db2.gz SJVNHSIQWOFTHG-CHWSQXEVSA-N 1 0 276.380 2.444 20 10 CECDRO C[C@H]([NH2+]CCc1nnn(C(C)(C)C)n1)c1ccccc1O ZINC000879650099 651335614 /nfs/dbraw/zinc/33/56/14/651335614.db2.gz IPOOQPJPKQPNDL-NSHDSACASA-N 1 0 289.383 2.027 20 10 CECDRO COC(=O)CCCC[NH2+][C@H](C)c1ccccc1O ZINC000879650220 651335843 /nfs/dbraw/zinc/33/58/43/651335843.db2.gz QEXGHYLEVNJUQP-LLVKDONJSA-N 1 0 251.326 2.386 20 10 CECDRO CN(CCC[NH+](C)C)Cc1c(O)cccc1Cl ZINC000211512864 651661806 /nfs/dbraw/zinc/66/18/06/651661806.db2.gz SEVYHCYBOXJWBF-UHFFFAOYSA-N 1 0 256.777 2.429 20 10 CECDRO CC[C@](C)([NH3+])c1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881377169 651702099 /nfs/dbraw/zinc/70/20/99/651702099.db2.gz HHPXJZQVZFRMIT-INIZCTEOSA-N 1 0 287.411 2.285 20 10 CECDRO C[C@]1(O)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000129476991 651978483 /nfs/dbraw/zinc/97/84/83/651978483.db2.gz GSALAFUXPZSLDJ-ZDUSSCGKSA-N 1 0 255.745 2.392 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H](O)C(F)F ZINC000883133435 652374176 /nfs/dbraw/zinc/37/41/76/652374176.db2.gz YYABHUZOEBZOGM-MWLCHTKSSA-N 1 0 281.249 2.165 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c(O)c1C ZINC000883374642 652448322 /nfs/dbraw/zinc/44/83/22/652448322.db2.gz KILLIAQMJITPGI-AVGNSLFASA-N 1 0 297.420 2.235 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c1[O-] ZINC000883442913 652471899 /nfs/dbraw/zinc/47/18/99/652471899.db2.gz VWHJRZDGMIUNNC-OLZOCXBDSA-N 1 0 296.798 2.464 20 10 CECDRO CC1=NO[C@@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000895301430 805796494 /nfs/dbraw/zinc/79/64/94/805796494.db2.gz INPFNIPCHHSIIX-LLVKDONJSA-N 1 0 299.168 2.409 20 10 CECDRO COCC1([NH2+]Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000697542268 806548646 /nfs/dbraw/zinc/54/86/46/806548646.db2.gz GROQCMAZYUUVQN-UHFFFAOYSA-N 1 0 271.744 2.323 20 10 CECDRO CC[N@H+]1C[C@H]2CN(Cc3cc(F)c(F)cc3O)C[C@H]2C1 ZINC001142530380 806622617 /nfs/dbraw/zinc/62/26/17/806622617.db2.gz GONIMOMYURXIER-TXEJJXNPSA-N 1 0 282.334 2.054 20 10 CECDRO Oc1cc(F)c(F)cc1CN1CCC([NH+]2CCC2)CC1 ZINC001142534307 806623608 /nfs/dbraw/zinc/62/36/08/806623608.db2.gz DWDVJILOXVDYFF-UHFFFAOYSA-N 1 0 282.334 2.341 20 10 CECDRO COc1c[nH+]ccc1Nc1cc(F)c(F)cc1O ZINC001211263218 802805184 /nfs/dbraw/zinc/80/51/84/802805184.db2.gz JFPWJGKPWDRZLT-UHFFFAOYSA-N 1 0 252.220 2.240 20 10 CECDRO CCc1cccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)c1O ZINC000723851172 802949984 /nfs/dbraw/zinc/94/99/84/802949984.db2.gz SXLUEPIDVYPOSI-UHFFFAOYSA-N 1 0 299.436 2.115 20 10 CECDRO Cc1c[nH]c(C[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000693480662 802960727 /nfs/dbraw/zinc/96/07/27/802960727.db2.gz ITTLHTRJKKXHEB-UHFFFAOYSA-N 1 0 296.168 2.476 20 10 CECDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000724165901 803058184 /nfs/dbraw/zinc/05/81/84/803058184.db2.gz ZUWQLTZWAYVZJD-KBPBESRZSA-N 1 0 281.327 2.343 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1O ZINC001140742697 803512822 /nfs/dbraw/zinc/51/28/22/803512822.db2.gz VRKHJMXLSLNISY-OAHLLOKOSA-N 1 0 265.353 2.143 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c1O ZINC000694872655 803592806 /nfs/dbraw/zinc/59/28/06/803592806.db2.gz UXRXRRHOTQFFMV-NEPJUHHUSA-N 1 0 265.353 2.400 20 10 CECDRO COC(=O)N(C)CC[N@H+](C)Cc1cc(Cl)ccc1O ZINC000690817807 803746561 /nfs/dbraw/zinc/74/65/61/803746561.db2.gz YDVZPMRBBUTFCY-UHFFFAOYSA-N 1 0 286.759 2.176 20 10 CECDRO COc1ccc(C[NH2+]C[C@](C)(NC(C)=O)C2CC2)cc1C ZINC001267846049 803771262 /nfs/dbraw/zinc/77/12/62/803771262.db2.gz BDDFFMOXIBERNB-KRWDZBQOSA-N 1 0 290.407 2.398 20 10 CECDRO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000722295802 804233794 /nfs/dbraw/zinc/23/37/94/804233794.db2.gz VJXJLDQWGZKZMQ-RHSMWYFYSA-N 1 0 273.424 2.327 20 10 CECDRO Cc1cccc(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c1O ZINC000722351913 804341820 /nfs/dbraw/zinc/34/18/20/804341820.db2.gz HMSSHGGFXRCVJB-INIZCTEOSA-N 1 0 279.380 2.374 20 10 CECDRO CON(C)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC001118426934 815014299 /nfs/dbraw/zinc/01/42/99/815014299.db2.gz FZPRPDQBAXRAFQ-NEPJUHHUSA-N 1 0 264.369 2.332 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H](C)CC2(C)OCCO2)c1O ZINC000716019520 815014631 /nfs/dbraw/zinc/01/46/31/815014631.db2.gz HUVKMWNICGQRKF-LBPRGKRZSA-N 1 0 295.379 2.280 20 10 CECDRO NC(=O)C1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000037152661 815018220 /nfs/dbraw/zinc/01/82/20/815018220.db2.gz RBUMZSVOFSXUDP-UHFFFAOYSA-N 1 0 282.771 2.179 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]CC3(OC)CCC3)C2)cc1 ZINC001119304216 815086529 /nfs/dbraw/zinc/08/65/29/815086529.db2.gz PVAYCEDSLHLYQK-CQSZACIVSA-N 1 0 290.407 2.433 20 10 CECDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(Cl)cc1O ZINC001205068555 807324362 /nfs/dbraw/zinc/32/43/62/807324362.db2.gz JWNSQYOEYYCDKF-CABZTGNLSA-N 1 0 254.761 2.357 20 10 CECDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1C ZINC001122003726 807562977 /nfs/dbraw/zinc/56/29/77/807562977.db2.gz GBTDTSCCOGKYKE-WBMJQRKESA-N 1 0 291.439 2.441 20 10 CECDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000699460949 807712512 /nfs/dbraw/zinc/71/25/12/807712512.db2.gz CMTQYQZNNBSGCB-WFASDCNBSA-N 1 0 260.381 2.194 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c([O-])c1Cl ZINC001205123933 807716174 /nfs/dbraw/zinc/71/61/74/807716174.db2.gz HNQORAFKXUJLEO-LLVKDONJSA-N 1 0 284.787 2.367 20 10 CECDRO CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001272622535 807823459 /nfs/dbraw/zinc/82/34/59/807823459.db2.gz MZLARIZUMPOEFA-CQSZACIVSA-N 1 0 288.391 2.049 20 10 CECDRO COc1ccc(C[NH2+]Cc2cncc(OC)c2)c(O)c1 ZINC000699777350 807841484 /nfs/dbraw/zinc/84/14/84/807841484.db2.gz BCXSXKDIUFCCRP-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO CC(C)(C)c1ccc(CN2C[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236293767 808051656 /nfs/dbraw/zinc/05/16/56/808051656.db2.gz OPIXDSDYJJVAPG-TZMCWYRMSA-N 1 0 260.381 2.093 20 10 CECDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116511795 808832021 /nfs/dbraw/zinc/83/20/21/808832021.db2.gz BMMANIVACGVAGE-ZBFHGGJFSA-N 1 0 274.408 2.490 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCCC3(C2)OCCO3)c1O ZINC000715714526 808957331 /nfs/dbraw/zinc/95/73/31/808957331.db2.gz DGPVIDBOJNWTIY-CQSZACIVSA-N 1 0 277.364 2.476 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC2CC3(C2)OCCO3)c1 ZINC000922797350 809183991 /nfs/dbraw/zinc/18/39/91/809183991.db2.gz DOVVFPDUFANWFW-UHFFFAOYSA-N 1 0 293.363 2.034 20 10 CECDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000690321460 809209510 /nfs/dbraw/zinc/20/95/10/809209510.db2.gz GLAOZYCTKOBYBG-CYBMUJFWSA-N 1 0 266.360 2.494 20 10 CECDRO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)CC1=O ZINC001172027359 815272361 /nfs/dbraw/zinc/27/23/61/815272361.db2.gz VLDNXDVTZVUWNC-NWDGAFQWSA-N 1 0 262.353 2.054 20 10 CECDRO CC[C@H](CO)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001117788947 809265312 /nfs/dbraw/zinc/26/53/12/809265312.db2.gz CLGGFJGTVHEITI-OAHLLOKOSA-N 1 0 262.397 2.490 20 10 CECDRO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC001172036422 815275514 /nfs/dbraw/zinc/27/55/14/815275514.db2.gz QCYWIGCHXQZCQC-DZGCQCFKSA-N 1 0 289.423 2.414 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H](O)CC(F)(F)F ZINC000700922683 809372720 /nfs/dbraw/zinc/37/27/20/809372720.db2.gz GEPXTHQFBCMVLK-LBPRGKRZSA-N 1 0 288.313 2.211 20 10 CECDRO CC(C)CC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000704467092 809735603 /nfs/dbraw/zinc/73/56/03/809735603.db2.gz SVCRQBJSKFTNJN-CYBMUJFWSA-N 1 0 264.369 2.114 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](OC)C2)c1 ZINC000706491277 809827902 /nfs/dbraw/zinc/82/79/02/809827902.db2.gz HUOJZMHSDSFFMO-CKYFFXLPSA-N 1 0 251.326 2.229 20 10 CECDRO COC[C@@H](CC[NH2+][C@@H]1CCc2cccc(O)c21)OC ZINC000710600975 810001725 /nfs/dbraw/zinc/00/17/25/810001725.db2.gz GJDQVOMEHJCDQS-CHWSQXEVSA-N 1 0 265.353 2.021 20 10 CECDRO OC[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000381487807 810475323 /nfs/dbraw/zinc/47/53/23/810475323.db2.gz KGUDXUKWGICSLV-NSHDSACASA-N 1 0 286.169 2.015 20 10 CECDRO CCOCC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001172406576 815408177 /nfs/dbraw/zinc/40/81/77/815408177.db2.gz NEGFCIKKPVPJJN-HNNXBMFYSA-N 1 0 292.423 2.428 20 10 CECDRO CC(C)C[C@H](C(=O)NCc1ccc(N)cc1)n1ccnc1 ZINC001122445431 815412698 /nfs/dbraw/zinc/41/26/98/815412698.db2.gz RTFDJSXNORLCEX-OAHLLOKOSA-N 1 0 286.379 2.369 20 10 CECDRO CC(C)OCC[C@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC001172435570 815414409 /nfs/dbraw/zinc/41/44/09/815414409.db2.gz HKRZCMPNKWKYFF-NSHDSACASA-N 1 0 253.342 2.391 20 10 CECDRO CCOCC[NH2+]Cc1ccc(Br)cc1O ZINC000691413600 811104457 /nfs/dbraw/zinc/10/44/57/811104457.db2.gz IEKAOHGYGNONPG-UHFFFAOYSA-N 1 0 274.158 2.281 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1O ZINC001168977156 811306574 /nfs/dbraw/zinc/30/65/74/811306574.db2.gz IKVJRLGUQSKPPG-SDDRHHMPSA-N 1 0 264.325 2.488 20 10 CECDRO C[N@H+](Cc1ccccc1O)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035531 811347006 /nfs/dbraw/zinc/34/70/06/811347006.db2.gz BXXPYKBOIQOBCX-AAEUAGOBSA-N 1 0 264.325 2.269 20 10 CECDRO CC(C)OCC[C@H](C)[NH2+]Cc1ccc(O)cc1O ZINC001172450642 815442437 /nfs/dbraw/zinc/44/24/37/815442437.db2.gz YWJZNGAYCNKAPL-NSHDSACASA-N 1 0 253.342 2.391 20 10 CECDRO CC(C)COCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172458551 815445789 /nfs/dbraw/zinc/44/57/89/815445789.db2.gz DQNUKRJPBVZJRD-MLGOLLRUSA-N 1 0 297.395 2.172 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](CC(C)C)C(=O)NC)c1O ZINC000691437281 811761858 /nfs/dbraw/zinc/76/18/58/811761858.db2.gz WYJNTZWVOHHNPD-AWEZNQCLSA-N 1 0 278.396 2.205 20 10 CECDRO CCc1cccc(C[NH2+][C@@](C)(CO)C(C)C)c1O ZINC000691472839 811901256 /nfs/dbraw/zinc/90/12/56/811901256.db2.gz DBBCPLSSFAKCJE-HNNXBMFYSA-N 1 0 251.370 2.451 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)C(OC)OC)c1O ZINC000691491565 811958239 /nfs/dbraw/zinc/95/82/39/811958239.db2.gz DFXSBMOKIIEGCI-SNVBAGLBSA-N 1 0 253.342 2.052 20 10 CECDRO CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001172924078 815547080 /nfs/dbraw/zinc/54/70/80/815547080.db2.gz REIQKYWBIPHPQS-RYUDHWBXSA-N 1 0 251.326 2.145 20 10 CECDRO COc1cccc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1O ZINC000384825270 813124865 /nfs/dbraw/zinc/12/48/65/813124865.db2.gz QVHSCJYYCSAWKF-OLZOCXBDSA-N 1 0 277.364 2.258 20 10 CECDRO CC[C@H]([NH2+]C(COC)COC)c1ccccc1O ZINC000388407203 813236430 /nfs/dbraw/zinc/23/64/30/813236430.db2.gz UNGZXJAFVACBPC-ZDUSSCGKSA-N 1 0 253.342 2.094 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@@H](C)O ZINC000395246907 813496278 /nfs/dbraw/zinc/49/62/78/813496278.db2.gz ARFWSYLZKTVYAV-CWSCBRNRSA-N 1 0 253.342 2.211 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cccnc2N(C)C)c1 ZINC000113321586 813755645 /nfs/dbraw/zinc/75/56/45/813755645.db2.gz DVUQEJLHMBIHGT-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO O=C1CC[N@@H+](Cc2c(O)cc(O)cc2O)[C@@H]2CCCC[C@H]12 ZINC001144500072 814089041 /nfs/dbraw/zinc/08/90/41/814089041.db2.gz OHLGQFLFEUXYAB-WCQYABFASA-N 1 0 291.347 2.137 20 10 CECDRO C[N@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144500651 814091395 /nfs/dbraw/zinc/09/13/95/814091395.db2.gz XXJZCJLJHGHNOH-UHFFFAOYSA-N 1 0 259.305 2.435 20 10 CECDRO COCC[C@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144508984 814096307 /nfs/dbraw/zinc/09/63/07/814096307.db2.gz GKCLLFLIWRKUOG-LLVKDONJSA-N 1 0 281.352 2.194 20 10 CECDRO CC[N@H+](Cc1cccnc1)Cc1c(O)cc(O)cc1O ZINC001144508950 814096870 /nfs/dbraw/zinc/09/68/70/814096870.db2.gz FDHLOCUNUDMIAK-UHFFFAOYSA-N 1 0 274.320 2.221 20 10 CECDRO C[N@@H+](Cc1c(O)cc(O)cc1O)C[C@H]1CC1(C)C ZINC001144514624 814098447 /nfs/dbraw/zinc/09/84/47/814098447.db2.gz MIPXWAPBOQAAAS-SECBINFHSA-N 1 0 251.326 2.281 20 10 CECDRO C[N@@H+]1C[C@H]2CCCN(Cc3c(F)ccc(F)c3[O-])[C@H]2C1 ZINC001139682716 814727886 /nfs/dbraw/zinc/72/78/86/814727886.db2.gz BGTUSBJWATVOKL-YGRLFVJLSA-N 1 0 282.334 2.196 20 10 CECDRO CCOC(=O)[C@@H](NCc1cc(C)c(C)cc1O)C1CC1 ZINC001116739832 814878550 /nfs/dbraw/zinc/87/85/50/814878550.db2.gz BOUYWSABCWSADW-HNNXBMFYSA-N 1 0 277.364 2.440 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@H](OC)C2)c1 ZINC000714665274 814911645 /nfs/dbraw/zinc/91/16/45/814911645.db2.gz AHJHUHIAVRICPF-GVXVVHGQSA-N 1 0 265.353 2.476 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)ccc1N(C)C ZINC001139669747 815622808 /nfs/dbraw/zinc/62/28/08/815622808.db2.gz KYTBWYCQKVURHE-MLGOLLRUSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)ccc1N(C)C ZINC001139670205 815628262 /nfs/dbraw/zinc/62/82/62/815628262.db2.gz ZQTNVOSQTYJMLL-HOCLYGCPSA-N 1 0 280.387 2.356 20 10 CECDRO CC[NH+]1CCC(N(C)Cc2c(O)cccc2F)CC1 ZINC001137837931 815692064 /nfs/dbraw/zinc/69/20/64/815692064.db2.gz ZUTJKJDDTWCHOL-UHFFFAOYSA-N 1 0 266.360 2.447 20 10 CECDRO COCCCC[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137841790 815694932 /nfs/dbraw/zinc/69/49/32/815694932.db2.gz VMSSETRYMWUFAS-UHFFFAOYSA-N 1 0 296.386 2.076 20 10 CECDRO Cc1c(CN(C)CC[NH+](C)C)c2ccccc2n1C ZINC001138252730 815754947 /nfs/dbraw/zinc/75/49/47/815754947.db2.gz SCLHJAYEIYFQGM-UHFFFAOYSA-N 1 0 259.397 2.480 20 10 CECDRO Cc1c(C[NH+]2CC(N(C)C3COC3)C2)c2ccccc2n1C ZINC001138258539 815756982 /nfs/dbraw/zinc/75/69/82/815756982.db2.gz VILNOEYQSAKEGS-UHFFFAOYSA-N 1 0 299.418 2.002 20 10 CECDRO Cc1c(C[NH+]2CC3(CN(C)C3)C2)c2ccccc2n1C ZINC001138260868 815758256 /nfs/dbraw/zinc/75/82/56/815758256.db2.gz VGFTWUOCTBXSCO-UHFFFAOYSA-N 1 0 269.392 2.234 20 10 CECDRO CC(=O)C[N@@H+](C)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138338131 815770531 /nfs/dbraw/zinc/77/05/31/815770531.db2.gz KLJGQOBDWZHSLT-UHFFFAOYSA-N 1 0 288.391 2.112 20 10 CECDRO COC(=O)c1cc(Cl)cc(Nc2cc[nH+]cc2)c1O ZINC001173883013 815850915 /nfs/dbraw/zinc/85/09/15/815850915.db2.gz BMLKCJOICTVOGJ-UHFFFAOYSA-N 1 0 278.695 2.393 20 10 CECDRO O=C1CCC2(CC[NH+](Cc3cc(F)ccc3O)CC2)O1 ZINC001140055356 816179639 /nfs/dbraw/zinc/17/96/39/816179639.db2.gz SQMDVWJELJFHCP-UHFFFAOYSA-N 1 0 279.311 2.203 20 10 CECDRO COC(=O)[C@H](C(C)C)N(C)Cc1cc(F)ccc1O ZINC001140058829 816181067 /nfs/dbraw/zinc/18/10/67/816181067.db2.gz NJVWRMDZUFCBQE-ZDUSSCGKSA-N 1 0 269.316 2.161 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)c1O ZINC001140184060 816205383 /nfs/dbraw/zinc/20/53/83/816205383.db2.gz LKAKQCUHFBHYOL-ZDUSSCGKSA-N 1 0 297.420 2.018 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1O ZINC001140181614 816205684 /nfs/dbraw/zinc/20/56/84/816205684.db2.gz DPFAMODSUPTMIS-BETUJISGSA-N 1 0 259.349 2.420 20 10 CECDRO C[N@H+](Cc1cncnc1)Cc1ccc(Cl)cc1O ZINC001140468330 816261823 /nfs/dbraw/zinc/26/18/23/816261823.db2.gz GHPNXXNDJBPIPD-UHFFFAOYSA-N 1 0 263.728 2.468 20 10 CECDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140742027 816337776 /nfs/dbraw/zinc/33/77/76/816337776.db2.gz HOKIWGXVUJCIJJ-GFCCVEGCSA-N 1 0 251.326 2.017 20 10 CECDRO Cc1c(O)ccc(CN2CC[NH+](CC(C)C)CC2)c1O ZINC001140744326 816339778 /nfs/dbraw/zinc/33/97/78/816339778.db2.gz UDYVBGXLKVNCIL-UHFFFAOYSA-N 1 0 278.396 2.180 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c1O ZINC001140744359 816339928 /nfs/dbraw/zinc/33/99/28/816339928.db2.gz UUYQJRWRXQXSMS-DOMZBBRYSA-N 1 0 277.364 2.407 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCc3ncccc3C2)c1O ZINC001140745951 816341113 /nfs/dbraw/zinc/34/11/13/816341113.db2.gz QNFFJAOLHNVHTG-UHFFFAOYSA-N 1 0 270.332 2.360 20 10 CECDRO COC(=O)c1cccc(Nc2cc(C)[nH+]c(C)c2)c1O ZINC001176056940 816343073 /nfs/dbraw/zinc/34/30/73/816343073.db2.gz IKCDYKSMSGCFHS-UHFFFAOYSA-N 1 0 272.304 2.356 20 10 CECDRO COC(=O)c1ccc(O)c(Nc2cc(C)[nH+]c(C)c2)c1 ZINC001176056513 816343862 /nfs/dbraw/zinc/34/38/62/816343862.db2.gz YECVWBSJWHWSTI-UHFFFAOYSA-N 1 0 272.304 2.356 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](N(C)C)C2)c(O)c1 ZINC001140851642 816382371 /nfs/dbraw/zinc/38/23/71/816382371.db2.gz MDYFBLWQKKPKNP-INIZCTEOSA-N 1 0 291.439 2.374 20 10 CECDRO Cc1ccc(C[NH+]2CCC3(CCCNC3=O)CC2)c(O)c1 ZINC001140950943 816424211 /nfs/dbraw/zinc/42/42/11/816424211.db2.gz QBXRYAVCXQAJCC-UHFFFAOYSA-N 1 0 288.391 2.193 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3ncncc3C)C2)c(O)c1 ZINC001140954270 816424271 /nfs/dbraw/zinc/42/42/71/816424271.db2.gz OHFXNRSBHYGRQI-HNNXBMFYSA-N 1 0 299.374 2.452 20 10 CECDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140957732 816425355 /nfs/dbraw/zinc/42/53/55/816425355.db2.gz MAFJZJBZGLDYLV-CFVMTHIKSA-N 1 0 289.375 2.474 20 10 CECDRO Cc1ccc(C[N@H+](C)Cc2cnc(C)nc2)c(O)c1 ZINC001140957799 816425412 /nfs/dbraw/zinc/42/54/12/816425412.db2.gz OBWGLBDMGGDXNM-UHFFFAOYSA-N 1 0 257.337 2.431 20 10 CECDRO COc1cc(O)c(C[NH+]2CC3(CCC3)C2)c(OC)c1 ZINC001141026618 816449136 /nfs/dbraw/zinc/44/91/36/816449136.db2.gz XHPKYTVDBZXRSP-UHFFFAOYSA-N 1 0 263.337 2.395 20 10 CECDRO COc1cc(O)c(C[NH+]2CC3(C2)CCOCC3)c(OC)c1 ZINC001141026833 816449150 /nfs/dbraw/zinc/44/91/50/816449150.db2.gz FKYVCHFIIVSCFK-UHFFFAOYSA-N 1 0 293.363 2.022 20 10 CECDRO CC[N@H+](Cc1c(O)cc(OC)cc1OC)CC(C)(C)O ZINC001141029166 816450578 /nfs/dbraw/zinc/45/05/78/816450578.db2.gz LATZFJFPZFKOCZ-UHFFFAOYSA-N 1 0 283.368 2.002 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c(OC)c1 ZINC001141029577 816451558 /nfs/dbraw/zinc/45/15/58/816451558.db2.gz WKBUOQHBUBCERE-WDEREUQCSA-N 1 0 263.337 2.394 20 10 CECDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCCOC2)c(OC)c1 ZINC001141032581 816453084 /nfs/dbraw/zinc/45/30/84/816453084.db2.gz HRYIIAAVWOPPOG-LLVKDONJSA-N 1 0 281.352 2.020 20 10 CECDRO CC1(C)C[N@H+](Cc2cc(O)ccc2O)CCCO1 ZINC001141160404 816489853 /nfs/dbraw/zinc/48/98/53/816489853.db2.gz XLCRDXUQVKEQCP-UHFFFAOYSA-N 1 0 251.326 2.099 20 10 CECDRO COc1cc(O)c(C[NH2+]C2CCC(OC)CC2)cc1OC ZINC000839171439 816566452 /nfs/dbraw/zinc/56/64/52/816566452.db2.gz FTLVJPPFAAZAAH-UHFFFAOYSA-N 1 0 295.379 2.457 20 10 CECDRO CC(C)[NH+]1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142501879 816675865 /nfs/dbraw/zinc/67/58/65/816675865.db2.gz DVAHRAWYLVTDCZ-UHFFFAOYSA-N 1 0 270.323 2.196 20 10 CECDRO C[C@@]1(O)CCC[N@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142508901 816677020 /nfs/dbraw/zinc/67/70/20/816677020.db2.gz PKDKOHGQDZGKTR-CQSZACIVSA-N 1 0 271.307 2.407 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)Cn2ccnc2)cc1C ZINC000035275346 361819836 /nfs/dbraw/zinc/81/98/36/361819836.db2.gz FOPXPUCQYRXFDR-CYBMUJFWSA-N 1 0 259.353 2.378 20 10 CECDRO C[N@H+](CCn1cccn1)Cc1c(O)cccc1Cl ZINC000125294363 365671418 /nfs/dbraw/zinc/67/14/18/365671418.db2.gz ONOAESITNUFUBC-UHFFFAOYSA-N 1 0 265.744 2.374 20 10 CECDRO C[C@H]([NH2+]CCN1CCSCC1)c1ccccc1O ZINC000223662142 539207068 /nfs/dbraw/zinc/20/70/68/539207068.db2.gz LLLWTTBDIPPFDO-LBPRGKRZSA-N 1 0 266.410 2.092 20 10 CECDRO CCCN(CC(=O)OC)Cc1cc(C)ccc1O ZINC000178871194 344504541 /nfs/dbraw/zinc/50/45/41/344504541.db2.gz IENZGBUVSFEXLV-UHFFFAOYSA-N 1 0 251.326 2.086 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1C ZINC000052086459 362463426 /nfs/dbraw/zinc/46/34/26/362463426.db2.gz GJCNYLFJDXTQSP-OAHLLOKOSA-N 1 0 288.391 2.252 20 10 CECDRO Cc1cccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000135760949 366473939 /nfs/dbraw/zinc/47/39/39/366473939.db2.gz SHOXBCLMJNJNEX-NSHDSACASA-N 1 0 264.369 2.093 20 10 CECDRO CCOc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000156061172 366827128 /nfs/dbraw/zinc/82/71/28/366827128.db2.gz MNYZFRQVILQZHH-CABCVRRESA-N 1 0 290.407 2.459 20 10 CECDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000089636717 363986430 /nfs/dbraw/zinc/98/64/30/363986430.db2.gz OSRWJNDJKVYKHV-CHWSQXEVSA-N 1 0 298.452 2.226 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H](C)C(=O)OC)c1 ZINC000091987002 364073458 /nfs/dbraw/zinc/07/34/58/364073458.db2.gz DSTQUTFBICWCQH-LLVKDONJSA-N 1 0 281.352 2.032 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000092456030 364077115 /nfs/dbraw/zinc/07/71/15/364077115.db2.gz GFPBKJGKHQRQTN-INIZCTEOSA-N 1 0 262.397 2.490 20 10 CECDRO COc1ccc(N2CCC[N@H+](Cc3cnc[nH]3)CC2)cc1 ZINC000092380721 364077516 /nfs/dbraw/zinc/07/75/16/364077516.db2.gz ZSVAXGFVSJUCNA-UHFFFAOYSA-N 1 0 286.379 2.131 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCCn1cccn1 ZINC000113318884 364887600 /nfs/dbraw/zinc/88/76/00/364887600.db2.gz JIRPNEOKYFFWBK-UHFFFAOYSA-N 1 0 265.744 2.422 20 10 CECDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000168515951 367355375 /nfs/dbraw/zinc/35/53/75/367355375.db2.gz IRNMNHHTHYJJGL-SOZUMNATSA-N 1 0 268.426 2.170 20 10 CECDRO CN(C)c1ccc(C[N@H+](CC(C)(C)O)C2CC2)cc1 ZINC000171439356 367543566 /nfs/dbraw/zinc/54/35/66/367543566.db2.gz WHMSVRWQXGLIMO-UHFFFAOYSA-N 1 0 262.397 2.488 20 10 CECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](C)O ZINC000179619019 368344552 /nfs/dbraw/zinc/34/45/52/368344552.db2.gz LIFGMVFNYSNHOB-VIFPVBQESA-N 1 0 288.185 2.357 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1ccccc1O ZINC000183338889 368623073 /nfs/dbraw/zinc/62/30/73/368623073.db2.gz IXMMHCNEGPJQQW-KGLIPLIRSA-N 1 0 276.380 2.442 20 10 CECDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185028634 368738233 /nfs/dbraw/zinc/73/82/33/368738233.db2.gz JAUQQINCCNMSAX-RYUDHWBXSA-N 1 0 298.814 2.417 20 10 CECDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000191957789 369757330 /nfs/dbraw/zinc/75/73/30/369757330.db2.gz PMKJCSBDOIBRLO-MRXNPFEDSA-N 1 0 262.397 2.490 20 10 CECDRO [NH3+][C@H]1CC=C(C(=O)N2C[C@@H]3CCCN3c3ccccc32)C1 ZINC000638076615 370282683 /nfs/dbraw/zinc/28/26/83/370282683.db2.gz ZMSDYBHWPOKUBT-KBPBESRZSA-N 1 0 283.375 2.050 20 10 CECDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000230222227 370446279 /nfs/dbraw/zinc/44/62/79/370446279.db2.gz RUNZNESEMBBJPM-OAHLLOKOSA-N 1 0 250.386 2.393 20 10 CECDRO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc(F)ccc1O ZINC000248835409 371252674 /nfs/dbraw/zinc/25/26/74/371252674.db2.gz MHPRNXJMKIWPBL-ZBINZKHDSA-N 1 0 293.338 2.305 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(F)ccc1O ZINC000359956884 371494667 /nfs/dbraw/zinc/49/46/67/371494667.db2.gz FZFTVIOIWVGDDL-JOYOIKCWSA-N 1 0 275.327 2.463 20 10 CECDRO COC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268893233 372274613 /nfs/dbraw/zinc/27/46/13/372274613.db2.gz KCFRMSNIOLUBLR-PBHICJAKSA-N 1 0 292.423 2.335 20 10 CECDRO COc1cccc(C[NH2+]C[C@]2(O)CCc3ccccc32)c1O ZINC000269798555 372568587 /nfs/dbraw/zinc/56/85/87/372568587.db2.gz IUUMETBCWLIXNO-GOSISDBHSA-N 1 0 299.370 2.324 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](CCO)C2CC2)cc1 ZINC000271067705 373102448 /nfs/dbraw/zinc/10/24/48/373102448.db2.gz JRVAPCIDROZXPI-UHFFFAOYSA-N 1 0 262.397 2.490 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](COC)C2)c1 ZINC000271158774 373151287 /nfs/dbraw/zinc/15/12/87/373151287.db2.gz DXWBQIVQGOHFIL-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO Cc1ccc(O)c(CN2CC[S@](=O)[C@H](C)[C@H]2C)c1 ZINC000271196699 373174948 /nfs/dbraw/zinc/17/49/48/373174948.db2.gz NZRGDDQDGFHBBP-FMTVUPSXSA-N 1 0 267.394 2.042 20 10 CECDRO COC(=O)CC[N@H+](Cc1ccccc1O)C(C)C ZINC000271244051 373184692 /nfs/dbraw/zinc/18/46/92/373184692.db2.gz BQRMHJNACYZQTJ-UHFFFAOYSA-N 1 0 251.326 2.166 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)CCc2cnccn2)cc1C ZINC000271288357 373188030 /nfs/dbraw/zinc/18/80/30/373188030.db2.gz SJWGQDMFAHTYIX-UHFFFAOYSA-N 1 0 271.364 2.474 20 10 CECDRO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000367833893 373195831 /nfs/dbraw/zinc/19/58/31/373195831.db2.gz SYDDGTHCRJQHQF-AWEZNQCLSA-N 1 0 297.420 2.181 20 10 CECDRO Cc1cccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1O ZINC000271778723 373201708 /nfs/dbraw/zinc/20/17/08/373201708.db2.gz DDNCILACGNWPHC-AWEZNQCLSA-N 1 0 277.364 2.476 20 10 CECDRO COc1ccc(O)c(CN2CC[NH+](C3CCC3)CC2)c1 ZINC000271823382 373202465 /nfs/dbraw/zinc/20/24/65/373202465.db2.gz NRLCEWKADSQVAM-UHFFFAOYSA-N 1 0 276.380 2.071 20 10 CECDRO C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccccc1O ZINC000272931964 373719169 /nfs/dbraw/zinc/71/91/69/373719169.db2.gz ZQRYRUNWPUVEKW-IUODEOHRSA-N 1 0 280.437 2.480 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000273175729 373748877 /nfs/dbraw/zinc/74/88/77/373748877.db2.gz NHPSVCBYGHDANU-HZPDHXFCSA-N 1 0 277.364 2.448 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCOCC2)c(O)c1C ZINC000273431175 373758160 /nfs/dbraw/zinc/75/81/60/373758160.db2.gz VSPOLYJWTXYKER-OAHLLOKOSA-N 1 0 292.423 2.382 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Cl)ccc1O ZINC000273464217 373759232 /nfs/dbraw/zinc/75/92/32/373759232.db2.gz DIAOWOVZGVCLMI-LKFCYVNXSA-N 1 0 295.770 2.163 20 10 CECDRO Cn1cccc1C[NH2+]Cc1ccc2c(c1)CCN2C ZINC000370951321 373760060 /nfs/dbraw/zinc/76/00/60/373760060.db2.gz WKHTWUVXNYIMDF-UHFFFAOYSA-N 1 0 255.365 2.307 20 10 CECDRO COC[C@@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273561425 373764659 /nfs/dbraw/zinc/76/46/59/373764659.db2.gz IHHXLFPNGYJTGG-MWLCHTKSSA-N 1 0 273.760 2.094 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)c(O)c1 ZINC000273604681 373767152 /nfs/dbraw/zinc/76/71/52/373767152.db2.gz SVNMSCMTQZCGNC-LBPRGKRZSA-N 1 0 276.380 2.397 20 10 CECDRO Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C)[C@@H]3C2)c1O ZINC000371554985 373920165 /nfs/dbraw/zinc/92/01/65/373920165.db2.gz RWUYQOXBVNBOCM-DZGCQCFKSA-N 1 0 260.381 2.227 20 10 CECDRO Cc1cccc(C[NH2+]CCc2cn3c(n2)SCC3)c1O ZINC000274456174 373929988 /nfs/dbraw/zinc/92/99/88/373929988.db2.gz VMMBOFYRTQJJTO-UHFFFAOYSA-N 1 0 289.404 2.335 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000375331407 374652728 /nfs/dbraw/zinc/65/27/28/374652728.db2.gz KDKIWVZTEUBBPM-INIZCTEOSA-N 1 0 260.381 2.363 20 10 CECDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cccc(Cl)c1[O-])CCO2 ZINC000279702520 374958430 /nfs/dbraw/zinc/95/84/30/374958430.db2.gz RITZWNCYFBFARK-XHDPSFHLSA-N 1 0 297.782 2.425 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCC(=O)NC23CCC3)cc1C ZINC000282937518 375618385 /nfs/dbraw/zinc/61/83/85/375618385.db2.gz XAXGPECWJOMATM-HNNXBMFYSA-N 1 0 288.391 2.295 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCCc3nn(C)cc32)c1O ZINC000283061175 375647049 /nfs/dbraw/zinc/64/70/49/375647049.db2.gz TYUVPOQEHTVDCO-ZDUSSCGKSA-N 1 0 287.363 2.302 20 10 CECDRO Cc1cc(C[NH2+]Cc2c(O)cccc2Cl)n(C)n1 ZINC000283921945 375781048 /nfs/dbraw/zinc/78/10/48/375781048.db2.gz LFBIYNUBXYGQHS-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCC2(O)CCC2)c1 ZINC000284118214 375812702 /nfs/dbraw/zinc/81/27/02/375812702.db2.gz TUOBIXWIZIPBMJ-UHFFFAOYSA-N 1 0 265.353 2.186 20 10 CECDRO C[C@H](C[NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000285809097 375843823 /nfs/dbraw/zinc/84/38/23/375843823.db2.gz RIRRDMBNNOPBES-CQSZACIVSA-N 1 0 289.423 2.134 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1ccc(=O)[nH]n1 ZINC000286250988 375887543 /nfs/dbraw/zinc/88/75/43/375887543.db2.gz UJPWIQDUCREOCB-LBPRGKRZSA-N 1 0 298.390 2.003 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000289567621 376406121 /nfs/dbraw/zinc/40/61/21/376406121.db2.gz PIKISVDMFOIILK-MRXNPFEDSA-N 1 0 262.397 2.393 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@](C)(OC)C2CC2)c1 ZINC000291033072 377041669 /nfs/dbraw/zinc/04/16/69/377041669.db2.gz JGWAULHMEMOROQ-HNNXBMFYSA-N 1 0 265.353 2.306 20 10 CECDRO CCCC[N@H+](CC(N)=O)Cc1ccc(N(C)C)c(C)c1 ZINC000293640661 377672214 /nfs/dbraw/zinc/67/22/14/377672214.db2.gz XNMDHHMBLBPDRX-UHFFFAOYSA-N 1 0 277.412 2.148 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)CC(C)(C)CO)c1 ZINC000294715885 378015775 /nfs/dbraw/zinc/01/57/75/378015775.db2.gz FAAUBTYRHBPYSC-UHFFFAOYSA-N 1 0 267.369 2.241 20 10 CECDRO Cc1cc(C[N@H+](CCO)C2CCC2)ccc1N(C)C ZINC000294414114 377986115 /nfs/dbraw/zinc/98/61/15/377986115.db2.gz DEFGLAJXENOLOP-UHFFFAOYSA-N 1 0 262.397 2.408 20 10 CECDRO COC[C@@H](O)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000294650396 378003248 /nfs/dbraw/zinc/00/32/48/378003248.db2.gz GSYYZPOKPBDWCJ-OLZOCXBDSA-N 1 0 267.369 2.057 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CCCCO)c1 ZINC000294983411 378033024 /nfs/dbraw/zinc/03/30/24/378033024.db2.gz GROMCQBHMSLMDK-GFCCVEGCSA-N 1 0 267.369 2.432 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)CC(C)(C)O)c1 ZINC000295057300 378037013 /nfs/dbraw/zinc/03/70/13/378037013.db2.gz NZELKLBJIGYBBC-LLVKDONJSA-N 1 0 267.369 2.430 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccccc1O ZINC000295193034 378047196 /nfs/dbraw/zinc/04/71/96/378047196.db2.gz XNUKLRZVPXFQSU-HOCLYGCPSA-N 1 0 292.423 2.280 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000294835857 378022370 /nfs/dbraw/zinc/02/23/70/378022370.db2.gz QKZDVXNZBQNEFP-AWEZNQCLSA-N 1 0 265.353 2.448 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC(O)CC2)c(O)c1C ZINC000296078413 378411250 /nfs/dbraw/zinc/41/12/50/378411250.db2.gz XDACFCXNTZZSHA-AWEZNQCLSA-N 1 0 292.423 2.116 20 10 CECDRO C[C@]1(F)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000296115176 378421830 /nfs/dbraw/zinc/42/18/30/378421830.db2.gz SPXHYFNWWOBZSY-AWEZNQCLSA-N 1 0 267.300 2.445 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[NH2+]C2CC2)cc1 ZINC000296486033 378549186 /nfs/dbraw/zinc/54/91/86/378549186.db2.gz QIJIFNABEPDFLB-CYBMUJFWSA-N 1 0 289.423 2.290 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cc(F)ccc1O ZINC000296500251 378553423 /nfs/dbraw/zinc/55/34/23/378553423.db2.gz PAULLJUNIYTUPK-FOGDFJRCSA-N 1 0 253.317 2.343 20 10 CECDRO CC1(C[NH2+][C@H]2CCc3cccc(O)c32)OCCCO1 ZINC000296558992 378574748 /nfs/dbraw/zinc/57/47/48/378574748.db2.gz UDNQDOIEJWRWLC-LBPRGKRZSA-N 1 0 263.337 2.122 20 10 CECDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N(C)C1CC1 ZINC000297776124 378689929 /nfs/dbraw/zinc/68/99/29/378689929.db2.gz PLLHELHKQBBQFV-BXUZGUMPSA-N 1 0 260.381 2.452 20 10 CECDRO COc1ccc(N2CCC([NH2+]CC3(O)CCC3)CC2)cc1 ZINC000305140282 379656834 /nfs/dbraw/zinc/65/68/34/379656834.db2.gz PWXGRCUCDTZHGC-UHFFFAOYSA-N 1 0 290.407 2.169 20 10 CECDRO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487554662 380086859 /nfs/dbraw/zinc/08/68/59/380086859.db2.gz RULYFMSEMDHBPI-DOMZBBRYSA-N 1 0 299.418 2.301 20 10 CECDRO C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1O ZINC000530216259 328716790 /nfs/dbraw/zinc/71/67/90/328716790.db2.gz PAIANCSNHFWMLZ-HZMBPMFUSA-N 1 0 264.344 2.467 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccccc1O ZINC000037782113 394498105 /nfs/dbraw/zinc/49/81/05/394498105.db2.gz WGCDHYYFCQWVOX-GXTWGEPZSA-N 1 0 276.380 2.444 20 10 CECDRO C[N@H+](CC(=O)NCc1cccs1)Cc1ccccc1O ZINC000109769561 394735106 /nfs/dbraw/zinc/73/51/06/394735106.db2.gz NFKIWPIPJWNTEE-UHFFFAOYSA-N 1 0 290.388 2.202 20 10 CECDRO CC[C@H]([NH2+]CCCNC(C)=O)c1ccc(N(C)C)cc1 ZINC000121387561 394797653 /nfs/dbraw/zinc/79/76/53/394797653.db2.gz UCALTFPWXWPQIC-INIZCTEOSA-N 1 0 277.412 2.320 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)CC[S@@](C)=O)c1O ZINC000125566932 394844207 /nfs/dbraw/zinc/84/42/07/394844207.db2.gz BGCMNPWYVLVSIQ-WLRWDXFRSA-N 1 0 285.409 2.038 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCOCC2(C)C)c1 ZINC000133545679 394953607 /nfs/dbraw/zinc/95/36/07/394953607.db2.gz IRADVFIDGCXXIC-UHFFFAOYSA-N 1 0 251.326 2.012 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)CO)c1O ZINC000132098075 394924816 /nfs/dbraw/zinc/92/48/16/394924816.db2.gz DQCWKYHCFMPLHR-MRVPVSSYSA-N 1 0 271.744 2.061 20 10 CECDRO CCOc1cccc(CN2CC[NH+](C(C)C)CC2)c1O ZINC000132268903 394927342 /nfs/dbraw/zinc/92/73/42/394927342.db2.gz INEGPMPLXJSFNE-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)C[C@@H]2CCCO2)c1 ZINC000132958069 394940889 /nfs/dbraw/zinc/94/08/89/394940889.db2.gz HURCLGZFKOYFIE-ZDUSSCGKSA-N 1 0 251.326 2.012 20 10 CECDRO CNC(=O)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000133341284 394948979 /nfs/dbraw/zinc/94/89/79/394948979.db2.gz ZYRLHRQJBHOYMS-UHFFFAOYSA-N 1 0 282.771 2.004 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000135727749 394967896 /nfs/dbraw/zinc/96/78/96/394967896.db2.gz YUPUEWMBZUFQRZ-QWRGUYRKSA-N 1 0 294.395 2.355 20 10 CECDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cc(F)ccc1O)C2 ZINC000373121954 395055405 /nfs/dbraw/zinc/05/54/05/395055405.db2.gz DHFZKASJRQEMFL-CQSZACIVSA-N 1 0 287.338 2.277 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000373152005 395056088 /nfs/dbraw/zinc/05/60/88/395056088.db2.gz IEDFCDHVYTXQLM-HOCLYGCPSA-N 1 0 277.364 2.128 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCOCC3(CCC3)C1)OCO2 ZINC000373392034 395060306 /nfs/dbraw/zinc/06/03/06/395060306.db2.gz KNVVJPPJKRNRPO-UHFFFAOYSA-N 1 0 291.347 2.123 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000374271980 395078516 /nfs/dbraw/zinc/07/85/16/395078516.db2.gz PPICKJXBDVJUQQ-NVXWUHKLSA-N 1 0 290.407 2.180 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCS1 ZINC000173504122 395114202 /nfs/dbraw/zinc/11/42/02/395114202.db2.gz IFCRBOPDGFGSKJ-NSHDSACASA-N 1 0 281.377 2.448 20 10 CECDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000174137496 395120821 /nfs/dbraw/zinc/12/08/21/395120821.db2.gz ZUGLWJSAXKVUPF-ZBFHGGJFSA-N 1 0 293.363 2.414 20 10 CECDRO CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)[NH+](C)C ZINC000178006948 395159655 /nfs/dbraw/zinc/15/96/55/395159655.db2.gz LHVWFRRBSXEEAZ-INIZCTEOSA-N 1 0 291.439 2.489 20 10 CECDRO COC[C@H]([NH2+]Cc1cccc(OC)c1O)c1ccco1 ZINC000177572944 395152659 /nfs/dbraw/zinc/15/26/59/395152659.db2.gz YRRZIGHKWIRSHZ-LBPRGKRZSA-N 1 0 277.320 2.471 20 10 CECDRO COC[C@H]([NH2+]Cc1cc(OC)ccc1O)c1ccco1 ZINC000182531245 395243487 /nfs/dbraw/zinc/24/34/87/395243487.db2.gz YJLYVXFGAAYKLO-ZDUSSCGKSA-N 1 0 277.320 2.471 20 10 CECDRO CCCOc1ccc(C[NH2+][C@](C)(CCO)COC)c(O)c1 ZINC000175853446 400288543 /nfs/dbraw/zinc/28/85/43/400288543.db2.gz RPQRCTKOXDJYHD-MRXNPFEDSA-N 1 0 297.395 2.058 20 10 CECDRO COc1ccc(O)c(C[N@H+](C(C)C)[C@H]2CCOC2)c1 ZINC000291334934 286338181 /nfs/dbraw/zinc/33/81/81/286338181.db2.gz VCZPZUHOWAAFHV-ZDUSSCGKSA-N 1 0 265.353 2.400 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000020137773 171025246 /nfs/dbraw/zinc/02/52/46/171025246.db2.gz SGKHITMUTPKPFQ-ZDUSSCGKSA-N 1 0 271.316 2.322 20 10 CECDRO COCCOCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000020192298 171058437 /nfs/dbraw/zinc/05/84/37/171058437.db2.gz PZRASRYRYZUDRN-UHFFFAOYSA-N 1 0 273.760 2.188 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)c2cnn(C)c2C)c1O ZINC000020352716 171157088 /nfs/dbraw/zinc/15/70/88/171157088.db2.gz FBVBDZJWKCKQGW-SNVBAGLBSA-N 1 0 275.352 2.294 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000038013797 173984089 /nfs/dbraw/zinc/98/40/89/173984089.db2.gz WBNQLECLHJQAIT-NEPJUHHUSA-N 1 0 264.369 2.348 20 10 CECDRO C[NH2+]C[C@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000071141937 176040358 /nfs/dbraw/zinc/04/03/58/176040358.db2.gz XDRHLWNEIBFTOO-SNVBAGLBSA-N 1 0 254.761 2.087 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000036933341 260053062 /nfs/dbraw/zinc/05/30/62/260053062.db2.gz DVJPPXAUASXYHM-UONOGXRCSA-N 1 0 278.396 2.072 20 10 CECDRO CCC[N@H+](CC(=O)N(CC)CC)Cc1ccccc1O ZINC000075829204 260292134 /nfs/dbraw/zinc/29/21/34/260292134.db2.gz UGBZYKAXNCARFX-UHFFFAOYSA-N 1 0 278.396 2.473 20 10 CECDRO C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151989676 261057778 /nfs/dbraw/zinc/05/77/78/261057778.db2.gz ICOHEOSWTODZBO-STQMWFEESA-N 1 0 296.386 2.084 20 10 CECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1CC1 ZINC000155443407 261102062 /nfs/dbraw/zinc/10/20/62/261102062.db2.gz ZFODJIVCKOXJQT-UHFFFAOYSA-N 1 0 260.381 2.365 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccccc2O)C1 ZINC000156376789 261121411 /nfs/dbraw/zinc/12/14/11/261121411.db2.gz NQZLHCSBDXBHEU-OCCSQVGLSA-N 1 0 276.380 2.444 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1ccccc1O ZINC000156563338 261126327 /nfs/dbraw/zinc/12/63/27/261126327.db2.gz WKDVJAZHISCEDK-DGCLKSJQSA-N 1 0 285.409 2.256 20 10 CECDRO CC[N@@H+](Cc1cc(OC)c(OC)cc1O)C[C@@H]1CCCO1 ZINC000159923619 261198241 /nfs/dbraw/zinc/19/82/41/261198241.db2.gz VHVPLBLZZPLSFC-ZDUSSCGKSA-N 1 0 295.379 2.410 20 10 CECDRO C[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166470670 261390591 /nfs/dbraw/zinc/39/05/91/261390591.db2.gz RERFLIOPZIZFEJ-CYBMUJFWSA-N 1 0 289.423 2.419 20 10 CECDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)c(O)c1O ZINC000182423150 261938329 /nfs/dbraw/zinc/93/83/29/261938329.db2.gz FKFYULUECRDVRD-LBPRGKRZSA-N 1 0 292.379 2.010 20 10 CECDRO COc1cc(O)c(C[NH2+]C2(C)CCOCC2)cc1OC ZINC000182654228 261946863 /nfs/dbraw/zinc/94/68/63/261946863.db2.gz CSRJMCKYXLXOTB-UHFFFAOYSA-N 1 0 281.352 2.068 20 10 CECDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)CC2 ZINC000185318317 262050951 /nfs/dbraw/zinc/05/09/51/262050951.db2.gz XUBWENHTKWTETL-BXKDBHETSA-N 1 0 290.342 2.097 20 10 CECDRO C[NH+](C)CC[C@@H](NC(=O)c1cccc(O)c1O)C(C)(C)C ZINC000185673182 262065424 /nfs/dbraw/zinc/06/54/24/262065424.db2.gz VLOFCFYXPPMZNM-CYBMUJFWSA-N 1 0 294.395 2.194 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)c1 ZINC000186047805 262077459 /nfs/dbraw/zinc/07/74/59/262077459.db2.gz UQZWSFFMYJVVNK-OCCSQVGLSA-N 1 0 276.380 2.361 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000186088350 262078985 /nfs/dbraw/zinc/07/89/85/262078985.db2.gz DJRSHICQWRIMAP-NWDGAFQWSA-N 1 0 274.364 2.115 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)c1 ZINC000186540060 262098175 /nfs/dbraw/zinc/09/81/75/262098175.db2.gz PTZOGMSTAVEPIP-DINDLPBHSA-N 1 0 255.383 2.118 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCN2C)c1 ZINC000185141843 262302960 /nfs/dbraw/zinc/30/29/60/262302960.db2.gz TWXDGJBHYKEHIE-RYUDHWBXSA-N 1 0 264.369 2.146 20 10 CECDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000272543283 263006161 /nfs/dbraw/zinc/00/61/61/263006161.db2.gz PPNXEPSESJJJMF-WCQYABFASA-N 1 0 266.360 2.094 20 10 CECDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nncn1C ZINC000285500338 263093368 /nfs/dbraw/zinc/09/33/68/263093368.db2.gz XMTWLOVHPTYOGH-OAHLLOKOSA-N 1 0 287.411 2.368 20 10 CECDRO Cc1cc(C[N@H+](C)C2(C(N)=O)CCCC2)ccc1N(C)C ZINC000293866398 263151164 /nfs/dbraw/zinc/15/11/64/263151164.db2.gz SHYWDNUTGHEPFD-UHFFFAOYSA-N 1 0 289.423 2.291 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000368043501 267141132 /nfs/dbraw/zinc/14/11/32/267141132.db2.gz QBBRMMIKTAWDKT-VXGBXAGGSA-N 1 0 277.364 2.430 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)cc1 ZINC000368882244 267210157 /nfs/dbraw/zinc/21/01/57/267210157.db2.gz MMDRLGSPXMSGOV-HOCLYGCPSA-N 1 0 280.387 2.438 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000369925693 267277294 /nfs/dbraw/zinc/27/72/94/267277294.db2.gz XBGSCINSGFVKPA-GXTWGEPZSA-N 1 0 272.352 2.382 20 10 CECDRO COc1cccc(C[N@H+]2CCC[C@@H](OC)CC2)c1O ZINC000377243198 268059128 /nfs/dbraw/zinc/05/91/28/268059128.db2.gz ISCLNEFHDCXKMV-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO Oc1ccccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000374258071 275061648 /nfs/dbraw/zinc/06/16/48/275061648.db2.gz IDFOHJFEMVCYHF-OAHLLOKOSA-N 1 0 260.381 2.452 20 10 CECDRO CCN1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000295819091 276151769 /nfs/dbraw/zinc/15/17/69/276151769.db2.gz DFJLXMAMRWTLOP-CQSZACIVSA-N 1 0 260.381 2.453 20 10 CECDRO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1ccccc1O ZINC000037782037 278185167 /nfs/dbraw/zinc/18/51/67/278185167.db2.gz IWVFYIFRMQJMNZ-VXGBXAGGSA-N 1 0 262.353 2.054 20 10 CECDRO Cc1c(C[NH2+][C@H]2CCc3cccc(O)c32)cnn1C ZINC000296796687 280227910 /nfs/dbraw/zinc/22/79/10/280227910.db2.gz LHDSVNBVDMGRAT-ZDUSSCGKSA-N 1 0 257.337 2.211 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)c(O)c1C ZINC000273470139 301787326 /nfs/dbraw/zinc/78/73/26/301787326.db2.gz RVMIBZZQFYSYDF-RSNWOKGLSA-N 1 0 269.410 2.427 20 10 CECDRO CN(C)c1ccc(CN(C)CC[N@H+](C)C2CC2)cc1F ZINC000290585574 328259494 /nfs/dbraw/zinc/25/94/94/328259494.db2.gz UYELDGCYQIUNLF-UHFFFAOYSA-N 1 0 279.403 2.418 20 10 CECDRO CCCC[N@H+](CC(N)=O)Cc1cc(C)c(C)cc1O ZINC000091950341 327187828 /nfs/dbraw/zinc/18/78/28/327187828.db2.gz WMPNHFMFGXQZDM-UHFFFAOYSA-N 1 0 264.369 2.096 20 10 CECDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000377282301 329009678 /nfs/dbraw/zinc/00/96/78/329009678.db2.gz DCOCZZWZPKBOJI-LBPRGKRZSA-N 1 0 278.743 2.084 20 10 CECDRO Nc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000377304985 329010659 /nfs/dbraw/zinc/01/06/59/329010659.db2.gz PXGZPUKQJFNHCM-SMDDNHRTSA-N 1 0 259.353 2.082 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1C1CC1 ZINC000377688616 329024568 /nfs/dbraw/zinc/02/45/68/329024568.db2.gz CLRZPQQTAWZYAU-KGLIPLIRSA-N 1 0 293.338 2.162 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1C ZINC000377702057 329025609 /nfs/dbraw/zinc/02/56/09/329025609.db2.gz UAMHVTWTYRPWEO-DOTOQJQBSA-N 1 0 291.391 2.389 20 10 CECDRO O=C1CC2(CN1)CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC000378333321 329046411 /nfs/dbraw/zinc/04/64/11/329046411.db2.gz KEINAYRXGFTYGD-UHFFFAOYSA-N 1 0 294.782 2.148 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2O)CC1(C)C ZINC000378369336 329047808 /nfs/dbraw/zinc/04/78/08/329047808.db2.gz IWKYLHQMHWYHHL-ZDUSSCGKSA-N 1 0 277.364 2.332 20 10 CECDRO Oc1ccccc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000378491843 329052526 /nfs/dbraw/zinc/05/25/26/329052526.db2.gz HFRUVQILEVKVEV-UHFFFAOYSA-N 1 0 298.390 2.310 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000180615925 329221330 /nfs/dbraw/zinc/22/13/30/329221330.db2.gz WUGRSGDGWMQKCO-HNNXBMFYSA-N 1 0 263.337 2.013 20 10 CECDRO CCC[C@H](CCO)C[NH2+]Cc1cc(OC)ccc1O ZINC000224876621 333227038 /nfs/dbraw/zinc/22/70/38/333227038.db2.gz RXIRSTYMVCMMLA-GFCCVEGCSA-N 1 0 267.369 2.289 20 10 CECDRO COc1ccc(O)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250383085 333305004 /nfs/dbraw/zinc/30/50/04/333305004.db2.gz MTPZZSPEYINCCM-AWEZNQCLSA-N 1 0 276.380 2.071 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCN2C)c1O ZINC000230934239 333322662 /nfs/dbraw/zinc/32/26/62/333322662.db2.gz WKDWJSJFGWZHDU-GFCCVEGCSA-N 1 0 284.787 2.238 20 10 CECDRO COC[C@@H](O)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000231605707 333326165 /nfs/dbraw/zinc/32/61/65/333326165.db2.gz ITQNHELWEIXMNJ-KRWDZBQOSA-N 1 0 292.423 2.164 20 10 CECDRO COc1cc(O)c(C[NH2+]Cc2cccnc2C)cc1OC ZINC000529660874 333504253 /nfs/dbraw/zinc/50/42/53/333504253.db2.gz GQZAFAKOUGXZHX-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c1O ZINC000245930789 334224637 /nfs/dbraw/zinc/22/46/37/334224637.db2.gz PIXTUTQAJVVZTB-VXGBXAGGSA-N 1 0 265.353 2.400 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000246073895 334229628 /nfs/dbraw/zinc/22/96/28/334229628.db2.gz ZRYRIZJAVFJRRV-UKRRQHHQSA-N 1 0 290.407 2.317 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCn2ccnc2C)c1 ZINC000271810272 334746855 /nfs/dbraw/zinc/74/68/55/334746855.db2.gz LWSHNMHZIGSTLQ-LLVKDONJSA-N 1 0 275.352 2.257 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCOC[C@H]2C)c1O ZINC000277373051 518287361 /nfs/dbraw/zinc/28/73/61/518287361.db2.gz HIJNXESVGXGRSI-YMTOWFKASA-N 1 0 281.327 2.249 20 10 CECDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000279938392 519552261 /nfs/dbraw/zinc/55/22/61/519552261.db2.gz YPLDTANWGNVRMC-MRXNPFEDSA-N 1 0 289.423 2.101 20 10 CECDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000280939611 519553277 /nfs/dbraw/zinc/55/32/77/519553277.db2.gz IRVILVLIDOQSGH-WCQYABFASA-N 1 0 294.370 2.440 20 10 CECDRO CC(=O)N1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@@H](C)C1 ZINC000292783819 519584937 /nfs/dbraw/zinc/58/49/37/519584937.db2.gz KYGPQMZBAKJNDA-AWEZNQCLSA-N 1 0 289.423 2.114 20 10 CECDRO CC(C)[N@H+](CCC(=O)N(C)C)Cc1ccc(N(C)C)cc1 ZINC000299198453 519641423 /nfs/dbraw/zinc/64/14/23/519641423.db2.gz LMAICOHEZPASBY-UHFFFAOYSA-N 1 0 291.439 2.441 20 10 CECDRO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000271554016 519697456 /nfs/dbraw/zinc/69/74/56/519697456.db2.gz WLEHMXLDYZPZQK-DZGCQCFKSA-N 1 0 289.423 2.413 20 10 CECDRO CCN(C)C(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000299380902 520147018 /nfs/dbraw/zinc/14/70/18/520147018.db2.gz JDLDNGNRVIWZMQ-UHFFFAOYSA-N 1 0 291.439 2.441 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1 ZINC000278932315 520288272 /nfs/dbraw/zinc/28/82/72/520288272.db2.gz XPWCQUZCXOAYEZ-ZQIUZPCESA-N 1 0 292.423 2.333 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291270811 521147731 /nfs/dbraw/zinc/14/77/31/521147731.db2.gz NUSKCUWDUHSTLV-AWEZNQCLSA-N 1 0 287.363 2.434 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C2(C)CCOCC2)c1 ZINC000131135267 521147914 /nfs/dbraw/zinc/14/79/14/521147914.db2.gz SITINNHYVMIXQD-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCc2nnc(C)s2)c1 ZINC000289985862 521151767 /nfs/dbraw/zinc/15/17/67/521151767.db2.gz XCVABIZNKKATPX-UHFFFAOYSA-N 1 0 293.392 2.283 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2cccnc2OC)c1O ZINC000037650468 521366869 /nfs/dbraw/zinc/36/68/69/521366869.db2.gz UZMPEHHIWNZHGA-UHFFFAOYSA-N 1 0 288.347 2.484 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)CCCO)c1O ZINC000094941579 521368934 /nfs/dbraw/zinc/36/89/34/521368934.db2.gz IDKWQDVCTNWIKN-NSHDSACASA-N 1 0 253.342 2.042 20 10 CECDRO CCC[N@H+](CC(=O)N1CCCC1)Cc1ccccc1O ZINC000076074351 521532558 /nfs/dbraw/zinc/53/25/58/521532558.db2.gz GXUGEKCTWCWRRZ-UHFFFAOYSA-N 1 0 276.380 2.227 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000280282057 521745583 /nfs/dbraw/zinc/74/55/83/521745583.db2.gz YOIBUOJHZHJGIK-WCQYABFASA-N 1 0 264.369 2.266 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC000263748206 522187182 /nfs/dbraw/zinc/18/71/82/522187182.db2.gz GCTLODSMDBSESR-UHFFFAOYSA-N 1 0 291.439 2.347 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1F ZINC000276660397 522209692 /nfs/dbraw/zinc/20/96/92/522209692.db2.gz JNTNBXWIBXMZGX-AAEUAGOBSA-N 1 0 266.360 2.142 20 10 CECDRO COCCC[N@H+](CCOC)Cc1ccc(N(C)C)c(F)c1 ZINC000126157484 523255059 /nfs/dbraw/zinc/25/50/59/523255059.db2.gz ZILIZFVQJVVZGS-UHFFFAOYSA-N 1 0 298.402 2.377 20 10 CECDRO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000274896521 523980486 /nfs/dbraw/zinc/98/04/86/523980486.db2.gz GAQCAXXALIPWGW-GXTWGEPZSA-N 1 0 277.364 2.474 20 10 CECDRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)c2cc(OC)ccc2O)C1 ZINC000368794275 524011260 /nfs/dbraw/zinc/01/12/60/524011260.db2.gz ASZNHWVCSUBYRE-MEDUHNTESA-N 1 0 293.363 2.347 20 10 CECDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000290279681 524080116 /nfs/dbraw/zinc/08/01/16/524080116.db2.gz YXPCJNUOKJQLGW-CQSZACIVSA-N 1 0 292.379 2.411 20 10 CECDRO Cc1cccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280380059 524411529 /nfs/dbraw/zinc/41/15/29/524411529.db2.gz WBEBTJVJICXZDN-KRWDZBQOSA-N 1 0 291.391 2.471 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1 ZINC000281071303 524768788 /nfs/dbraw/zinc/76/87/88/524768788.db2.gz OGOCLBCPEJUQGK-YBTHPKLGSA-N 1 0 297.420 2.353 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(O)CCCC2)c1 ZINC000087016670 524769076 /nfs/dbraw/zinc/76/90/76/524769076.db2.gz SUZFPAAJLBTCNT-NSHDSACASA-N 1 0 265.353 2.357 20 10 CECDRO COc1ncccc1CC[NH2+]Cc1cc(F)ccc1O ZINC000290798141 525046334 /nfs/dbraw/zinc/04/63/34/525046334.db2.gz FBJHMQFVSVJNLY-UHFFFAOYSA-N 1 0 276.311 2.267 20 10 CECDRO Cc1ccc(O)c(C[N@H+](C)CCCn2ccnc2)c1 ZINC000290323399 525340583 /nfs/dbraw/zinc/34/05/83/525340583.db2.gz DDBHZQKRKFCGGI-UHFFFAOYSA-N 1 0 259.353 2.419 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc(F)ccc1O ZINC000297368741 525633423 /nfs/dbraw/zinc/63/34/23/525633423.db2.gz QJWOIDKDPUYRDD-TZMCWYRMSA-N 1 0 296.386 2.029 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCc2cnn(C)c2)c(O)c1 ZINC000128122752 525727255 /nfs/dbraw/zinc/72/72/55/525727255.db2.gz LUUCRDLUJQAZLF-GFCCVEGCSA-N 1 0 259.353 2.327 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c(O)c1C ZINC000280975244 525921600 /nfs/dbraw/zinc/92/16/00/525921600.db2.gz VUFYSOYOOUCCGM-ZNMIVQPWSA-N 1 0 293.407 2.305 20 10 CECDRO COc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2)c1O ZINC000237213130 526018995 /nfs/dbraw/zinc/01/89/95/526018995.db2.gz LLNVDHNIAQKQJK-OAHLLOKOSA-N 1 0 287.359 2.094 20 10 CECDRO C[C@H](C(=O)NCCc1ccc(N)cc1)[C@H]([NH3+])c1ccccc1 ZINC000262583174 526056353 /nfs/dbraw/zinc/05/63/53/526056353.db2.gz RJMFASYWBCUFBX-GUYCJALGSA-N 1 0 297.402 2.264 20 10 CECDRO CO[C@H](C)CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000727471115 574452239 /nfs/dbraw/zinc/45/22/39/574452239.db2.gz YAFLYEUBNFCBHX-CYBMUJFWSA-N 1 0 296.386 2.177 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC000729534653 574489204 /nfs/dbraw/zinc/48/92/04/574489204.db2.gz AEYISZIYGZNOQB-GFCCVEGCSA-N 1 0 294.395 2.310 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cnc(C)nc1 ZINC000734509609 574717771 /nfs/dbraw/zinc/71/77/71/574717771.db2.gz MHBHEPSUVUSTCV-UHFFFAOYSA-N 1 0 270.380 2.449 20 10 CECDRO C[C@@H](C(=O)NCc1ccccc1O)[NH+]1CCCCCC1 ZINC000735857103 574769397 /nfs/dbraw/zinc/76/93/97/574769397.db2.gz MVUMUNXJHWREQS-ZDUSSCGKSA-N 1 0 276.380 2.273 20 10 CECDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000741139156 574976844 /nfs/dbraw/zinc/97/68/44/574976844.db2.gz DBBUXIZVWUKJQU-KBPBESRZSA-N 1 0 289.423 2.242 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CC(N)=O)cc1F ZINC000749132698 575206881 /nfs/dbraw/zinc/20/68/81/575206881.db2.gz VCOBQKCCOFHNIW-NSHDSACASA-N 1 0 281.375 2.025 20 10 CECDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1cccc(Cl)c1O ZINC000892431674 625393177 /nfs/dbraw/zinc/39/31/77/625393177.db2.gz VXWHHVRGTXSYHF-SNVBAGLBSA-N 1 0 299.802 2.185 20 10 CECDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(N)cc1 ZINC000049502608 622549737 /nfs/dbraw/zinc/54/97/37/622549737.db2.gz YBSRJSOHYJHVFV-LBPRGKRZSA-N 1 0 276.384 2.265 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994849 623074070 /nfs/dbraw/zinc/07/40/70/623074070.db2.gz DHKDJUZINNPYCT-CQSZACIVSA-N 1 0 266.772 2.231 20 10 CECDRO CC(C)[NH2+]CCCNC(=O)N[C@H](C)c1ccccc1O ZINC000891988692 624232250 /nfs/dbraw/zinc/23/22/50/624232250.db2.gz SKRKWTKTMTZPHG-GFCCVEGCSA-N 1 0 279.384 2.141 20 10 CECDRO C[C@H](NC(=O)NC[C@@]1(C)CCC[NH2+]C1)c1ccccc1O ZINC000892057742 624285124 /nfs/dbraw/zinc/28/51/24/624285124.db2.gz QLIMMQYFKVQPMD-LRDDRELGSA-N 1 0 291.395 2.142 20 10 CECDRO COc1ccc(C[NH2+]C(C)C)cc1Cn1cccn1 ZINC000050125470 624597284 /nfs/dbraw/zinc/59/72/84/624597284.db2.gz DGQKJTBJMQQSTJ-UHFFFAOYSA-N 1 0 259.353 2.438 20 10 CECDRO CCC[C@@](C)(CO)[NH2+]Cc1cc(OCC)ccc1O ZINC000177582333 625776796 /nfs/dbraw/zinc/77/67/96/625776796.db2.gz XUUOKCWJUQYDFW-HNNXBMFYSA-N 1 0 267.369 2.432 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000820878341 634558754 /nfs/dbraw/zinc/55/87/54/634558754.db2.gz ICVNUGAJDYJKPW-CQSZACIVSA-N 1 0 290.407 2.473 20 10 CECDRO C[C@H](NC1C[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000169172145 627693911 /nfs/dbraw/zinc/69/39/11/627693911.db2.gz YWYNPAVDDSHOCI-ZDUSSCGKSA-N 1 0 259.397 2.299 20 10 CECDRO CCn1cc(C[NH2+]Cc2cccc(OC)c2O)c(C)n1 ZINC000020352703 627944376 /nfs/dbraw/zinc/94/43/76/627944376.db2.gz AADZCAPGQRLJIC-UHFFFAOYSA-N 1 0 275.352 2.215 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)c(O)c1OC ZINC000893238983 628166799 /nfs/dbraw/zinc/16/67/99/628166799.db2.gz XASMHSIMWUHYAV-LBPRGKRZSA-N 1 0 295.379 2.457 20 10 CECDRO COc1ccc(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)c(O)c1OC ZINC000893260175 628198918 /nfs/dbraw/zinc/19/89/18/628198918.db2.gz LKXBGCHJLKRYRD-GHMZBOCLSA-N 1 0 295.379 2.455 20 10 CECDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000775983111 628354155 /nfs/dbraw/zinc/35/41/55/628354155.db2.gz BCEMKENWEYEHSW-QWHCGFSZSA-N 1 0 279.403 2.416 20 10 CECDRO COCCOCCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000312845242 628545845 /nfs/dbraw/zinc/54/58/45/628545845.db2.gz PPPQSWQLZGOCHS-AWEZNQCLSA-N 1 0 279.380 2.412 20 10 CECDRO C[C@H](N[C@H]1C[NH2+]CC1(C)C)c1cc(F)ccc1O ZINC000902449414 634672273 /nfs/dbraw/zinc/67/22/73/634672273.db2.gz OCKSYPBVVWOCHX-ZANVPECISA-N 1 0 252.333 2.180 20 10 CECDRO COc1ccc(O)c([C@H](C)N[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000902449056 634672391 /nfs/dbraw/zinc/67/23/91/634672391.db2.gz LKJKSMMCIKKLAY-IINYFYTJSA-N 1 0 264.369 2.049 20 10 CECDRO COCCOC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840935435 628753292 /nfs/dbraw/zinc/75/32/92/628753292.db2.gz PIWNQYTZTAGJQC-CQSZACIVSA-N 1 0 280.412 2.202 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840949947 628845136 /nfs/dbraw/zinc/84/51/36/628845136.db2.gz DEIVAEOBTKNVSL-DOTOQJQBSA-N 1 0 292.423 2.202 20 10 CECDRO COc1ccc(C[NH2+]CCN(C)C(C)C)cc1C ZINC000054111358 628879602 /nfs/dbraw/zinc/87/96/02/628879602.db2.gz LJYNRKFENUKGTJ-UHFFFAOYSA-N 1 0 250.386 2.433 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H](O)c1ccccc1F ZINC000060358335 628917545 /nfs/dbraw/zinc/91/75/45/628917545.db2.gz GETZZGBUQGSYET-HNNXBMFYSA-N 1 0 261.296 2.355 20 10 CECDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000228931449 628923902 /nfs/dbraw/zinc/92/39/02/628923902.db2.gz LCFQJINNMZVEJG-SECBINFHSA-N 1 0 270.760 2.048 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)C(C)C ZINC000840967052 628936626 /nfs/dbraw/zinc/93/66/26/628936626.db2.gz CSMABXLGPBWROL-TZMCWYRMSA-N 1 0 255.333 2.416 20 10 CECDRO COc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c(O)c1OC ZINC000893889127 629038551 /nfs/dbraw/zinc/03/85/51/629038551.db2.gz VBCPVHMIEOHHJK-QJPTWQEYSA-N 1 0 295.379 2.407 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252705657 629166503 /nfs/dbraw/zinc/16/65/03/629166503.db2.gz QXIYEIZITHKHAU-HAQNSBGRSA-N 1 0 255.745 2.439 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2c3ccccc3C[C@H]2O)c1O ZINC000894340529 629370693 /nfs/dbraw/zinc/37/06/93/629370693.db2.gz PKOAKGHWNCTJPP-WBVHZDCISA-N 1 0 299.370 2.457 20 10 CECDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894480162 629485467 /nfs/dbraw/zinc/48/54/67/629485467.db2.gz MIPYCZHIGGVOQA-ZFDPJTLLSA-N 1 0 265.353 2.126 20 10 CECDRO CCOc1ccc(O)c(CN(C)Cc2ncc[nH]2)c1 ZINC000894583485 629545632 /nfs/dbraw/zinc/54/56/32/629545632.db2.gz BIXVLZWCDAUQTA-UHFFFAOYSA-N 1 0 261.325 2.146 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC[C@H](O)C(F)(F)F)c1O ZINC000894770590 629625804 /nfs/dbraw/zinc/62/58/04/629625804.db2.gz RQTRJYOXECWWAJ-NSHDSACASA-N 1 0 293.285 2.112 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1O ZINC000894783025 629640076 /nfs/dbraw/zinc/64/00/76/629640076.db2.gz PGQHMPMGMBHOGV-UKRRQHHQSA-N 1 0 292.423 2.481 20 10 CECDRO COc1cc(C)cc(C[N@H+](C(C)C)C2COC2)c1O ZINC000894868525 629706105 /nfs/dbraw/zinc/70/61/05/629706105.db2.gz BDACPBWWJCKWLB-UHFFFAOYSA-N 1 0 265.353 2.318 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CC2(C)C)c(O)c1OC ZINC000894902540 629742396 /nfs/dbraw/zinc/74/23/96/629742396.db2.gz ZSRYKDRGKFXJHV-NSHDSACASA-N 1 0 251.326 2.298 20 10 CECDRO COc1cc(C)cc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1O ZINC000895033194 629806103 /nfs/dbraw/zinc/80/61/03/629806103.db2.gz GYSZGFZUNXHJQR-QWHCGFSZSA-N 1 0 279.380 2.160 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000164528695 629855870 /nfs/dbraw/zinc/85/58/70/629855870.db2.gz RULWGQYPGJALAC-UHFFFAOYSA-N 1 0 291.391 2.390 20 10 CECDRO C[C@@H](C[NH2+]Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000320154114 630001160 /nfs/dbraw/zinc/00/11/60/630001160.db2.gz JTGWYFQWVJHVQL-NSHDSACASA-N 1 0 265.353 2.460 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c1 ZINC000895437899 630189507 /nfs/dbraw/zinc/18/95/07/630189507.db2.gz QXMYEZCPNPJFGU-UKRRQHHQSA-N 1 0 265.353 2.136 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)[C@H]2CN3CCC2CC3)c1O ZINC000895453222 630194158 /nfs/dbraw/zinc/19/41/58/630194158.db2.gz GEAPQYUOWKWKTN-HNNXBMFYSA-N 1 0 290.407 2.235 20 10 CECDRO OC[C@@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccoc1 ZINC000895590534 630267786 /nfs/dbraw/zinc/26/77/86/630267786.db2.gz HALUINQOCSCNQK-GFCCVEGCSA-N 1 0 279.311 2.065 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c(O)c1OC ZINC000895634930 630276597 /nfs/dbraw/zinc/27/65/97/630276597.db2.gz OTAMYPGXGPZNTN-TZMCWYRMSA-N 1 0 293.363 2.067 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c(O)c1OC ZINC000895745913 630322960 /nfs/dbraw/zinc/32/29/60/630322960.db2.gz UFCFVNRNMOXHAI-CKYFFXLPSA-N 1 0 281.352 2.065 20 10 CECDRO COC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H]1CCCOC1 ZINC000895853826 630378153 /nfs/dbraw/zinc/37/81/53/630378153.db2.gz HXHZYVSZJLKWGA-BXUZGUMPSA-N 1 0 283.343 2.063 20 10 CECDRO COC[C@@H]([NH2+]Cc1cccc(C)c1O)[C@@H]1CCCOC1 ZINC000895855897 630378539 /nfs/dbraw/zinc/37/85/39/630378539.db2.gz UPLOGNKWTFJNGO-HUUCEWRRSA-N 1 0 279.380 2.232 20 10 CECDRO Cc1ccc(C[N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c(O)c1 ZINC000895923590 630404856 /nfs/dbraw/zinc/40/48/56/630404856.db2.gz WZKKJAPNBFMTAW-JHJVBQTASA-N 1 0 276.380 2.140 20 10 CECDRO COC(=O)C[C@@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@H]1C ZINC000896472632 630569603 /nfs/dbraw/zinc/56/96/03/630569603.db2.gz RWVUNMZCDCQGIK-VXGBXAGGSA-N 1 0 293.363 2.032 20 10 CECDRO COc1ccc(C[N@@H+]2CCO[C@@H](C)CC2)c(O)c1OC ZINC000896572106 630600795 /nfs/dbraw/zinc/60/07/95/630600795.db2.gz DBKKFWFODXVHRS-NSHDSACASA-N 1 0 281.352 2.020 20 10 CECDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000798089231 630810740 /nfs/dbraw/zinc/81/07/40/630810740.db2.gz NKKXKDXBJKZIGQ-MFKMUULPSA-N 1 0 281.327 2.353 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@]2(C)CCCCO2)c1 ZINC000896925403 630813162 /nfs/dbraw/zinc/81/31/62/630813162.db2.gz XHJIGSGARLFVBK-HNNXBMFYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H](C)C2CC2)cc1OC ZINC000824691099 635478888 /nfs/dbraw/zinc/47/88/88/635478888.db2.gz TUCJAXINFUHNCW-VIFPVBQESA-N 1 0 251.326 2.298 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c1 ZINC000897023457 630890132 /nfs/dbraw/zinc/89/01/32/630890132.db2.gz CRSYGZRIPNJHMD-AWEZNQCLSA-N 1 0 290.363 2.021 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000799337134 631014560 /nfs/dbraw/zinc/01/45/60/631014560.db2.gz RREDYNQOWHPNHY-UHFFFAOYSA-N 1 0 271.242 2.424 20 10 CECDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000928711136 631130657 /nfs/dbraw/zinc/13/06/57/631130657.db2.gz FDLPYEDBLPGXNE-ZDUSSCGKSA-N 1 0 280.343 2.022 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000193934354 631215042 /nfs/dbraw/zinc/21/50/42/631215042.db2.gz DGWYUAVHISKGGM-QGZVFWFLSA-N 1 0 297.402 2.411 20 10 CECDRO Cc1ccc(C[N@H+](C)Cc2cccc(=O)[nH]2)c(O)c1 ZINC000897391245 631275090 /nfs/dbraw/zinc/27/50/90/631275090.db2.gz JYHAPCIRAXOIEU-UHFFFAOYSA-N 1 0 258.321 2.433 20 10 CECDRO C[C@H]1C[C@H](CN2CCOc3cc(N(C)C)ccc32)CC[NH2+]1 ZINC000841011246 631711668 /nfs/dbraw/zinc/71/16/68/631711668.db2.gz FVJOXHDAFRONSJ-UONOGXRCSA-N 1 0 289.423 2.340 20 10 CECDRO C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(F)ccc1O ZINC000806178033 631724660 /nfs/dbraw/zinc/72/46/60/631724660.db2.gz BNSCQXCMMVPUSO-AAEUAGOBSA-N 1 0 290.338 2.353 20 10 CECDRO C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000843120074 631729203 /nfs/dbraw/zinc/72/92/03/631729203.db2.gz UKUVOLBLIZZSTL-NEPJUHHUSA-N 1 0 265.376 2.074 20 10 CECDRO CN(C)c1ccc2c(c1)OCCN2CC[NH2+]C(C)(C)C ZINC000841012009 631740928 /nfs/dbraw/zinc/74/09/28/631740928.db2.gz WPWCNBNODGYJLA-UHFFFAOYSA-N 1 0 277.412 2.340 20 10 CECDRO C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000843127573 631750107 /nfs/dbraw/zinc/75/01/07/631750107.db2.gz DZBQPCRNYCRSFR-SFYZADRCSA-N 1 0 260.740 2.400 20 10 CECDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841756059 631787957 /nfs/dbraw/zinc/78/79/57/631787957.db2.gz PLJPHZIXRMCLBL-YDEJPDAXSA-N 1 0 271.744 2.110 20 10 CECDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C1=CC(=O)CS1 ZINC000807776953 631870953 /nfs/dbraw/zinc/87/09/53/631870953.db2.gz JILBXJLCAOGLTH-JQWIXIFHSA-N 1 0 280.393 2.153 20 10 CECDRO CC[N@H+](CCC(=O)NC)Cc1c(O)cccc1Cl ZINC000897709918 631882260 /nfs/dbraw/zinc/88/22/60/631882260.db2.gz LHWZRNBYZZTWRJ-UHFFFAOYSA-N 1 0 270.760 2.004 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2COCCO2)c1O ZINC000808677837 631999223 /nfs/dbraw/zinc/99/92/23/631999223.db2.gz FJSGHTMVBSNPPA-JQWIXIFHSA-N 1 0 285.771 2.420 20 10 CECDRO COC[C@@H](O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808709940 632004304 /nfs/dbraw/zinc/00/43/04/632004304.db2.gz JIMLKGZUGNTZQW-PWSUYJOCSA-N 1 0 287.787 2.402 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c1O ZINC000808716095 632005130 /nfs/dbraw/zinc/00/51/30/632005130.db2.gz JBIHUBGZZQGNTN-ZJUUUORDSA-N 1 0 284.787 2.481 20 10 CECDRO CCOCc1cc(C[NH2+]CC[C@@H](O)C2CC2)ccc1OC ZINC000898207039 632087478 /nfs/dbraw/zinc/08/74/78/632087478.db2.gz YVTASFJFQCIDCW-MRXNPFEDSA-N 1 0 293.407 2.482 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898197638 632111024 /nfs/dbraw/zinc/11/10/24/632111024.db2.gz ICTZYVUPJLBKNH-INIZCTEOSA-N 1 0 262.397 2.312 20 10 CECDRO CCCn1cc(C[NH2+]Cc2cccc(OC)c2O)cn1 ZINC000809740207 632135593 /nfs/dbraw/zinc/13/55/93/632135593.db2.gz PPAWVKAQTLENKX-UHFFFAOYSA-N 1 0 275.352 2.297 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](CO)COC(C)C)c1 ZINC000809768774 632143805 /nfs/dbraw/zinc/14/38/05/632143805.db2.gz WOOWJMOPJZLJAM-CQSZACIVSA-N 1 0 297.395 2.009 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c1 ZINC000840187914 632153799 /nfs/dbraw/zinc/15/37/99/632153799.db2.gz JAZNZLWROKQXNR-OAHLLOKOSA-N 1 0 290.407 2.498 20 10 CECDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000810173039 632190911 /nfs/dbraw/zinc/19/09/11/632190911.db2.gz VUQGOPWJGMMCCR-HNNXBMFYSA-N 1 0 268.376 2.388 20 10 CECDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1c(O)cccc1Cl ZINC000841066225 632425273 /nfs/dbraw/zinc/42/52/73/632425273.db2.gz YLTCVRGSBYSKDF-CABZTGNLSA-N 1 0 254.761 2.276 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c(O)cc1C ZINC000812296247 632504588 /nfs/dbraw/zinc/50/45/88/632504588.db2.gz MIQZXRLSRHEXTF-CQSZACIVSA-N 1 0 287.363 2.353 20 10 CECDRO COC(=O)C1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000898611170 632560219 /nfs/dbraw/zinc/56/02/19/632560219.db2.gz KPAKAEWOHCQLEJ-UHFFFAOYSA-N 1 0 281.327 2.353 20 10 CECDRO Cc1cc(C[NH2+][C@H]2CCC(=O)NC2(C)C)ccc1N(C)C ZINC000813861214 632748322 /nfs/dbraw/zinc/74/83/22/632748322.db2.gz YACYZMHXSWWHKA-HNNXBMFYSA-N 1 0 289.423 2.208 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@H]3CN(C)C[C@@H]32)cc1C ZINC000814172925 632797686 /nfs/dbraw/zinc/79/76/86/632797686.db2.gz DDXHQBJMVBGIRQ-ZFWWWQNUSA-N 1 0 260.381 2.145 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1F ZINC000814173541 632799079 /nfs/dbraw/zinc/79/90/79/632799079.db2.gz MRFYJYZRANIRLK-CZUORRHYSA-N 1 0 277.387 2.028 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)ccc1N(C)C ZINC000815095168 632958117 /nfs/dbraw/zinc/95/81/17/632958117.db2.gz AMUJVLPQKGKLMP-MLGOLLRUSA-N 1 0 289.423 2.147 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@H]1C ZINC000815100763 632959693 /nfs/dbraw/zinc/95/96/93/632959693.db2.gz UPTBBQKQUNYUAN-DZGCQCFKSA-N 1 0 290.407 2.444 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)cc1 ZINC000815154064 632973419 /nfs/dbraw/zinc/97/34/19/632973419.db2.gz KFYXBUCBWLRYGM-QGZVFWFLSA-N 1 0 297.402 2.459 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c(O)c1 ZINC000815160114 632974558 /nfs/dbraw/zinc/97/45/58/632974558.db2.gz PYONITMESVRFMB-BLLLJJGKSA-N 1 0 279.380 2.432 20 10 CECDRO CC(=O)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816480479 633397471 /nfs/dbraw/zinc/39/74/71/633397471.db2.gz NVZWODDKSXEPQG-UHFFFAOYSA-N 1 0 284.359 2.210 20 10 CECDRO C[S@@](=O)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816552807 633410979 /nfs/dbraw/zinc/41/09/79/633410979.db2.gz XQWLMBSAXWDLQD-LJQANCHMSA-N 1 0 277.389 2.404 20 10 CECDRO C[C@H](C[NH2+]Cc1ccc2ccccc2c1O)S(C)(=O)=O ZINC000816558563 633413305 /nfs/dbraw/zinc/41/33/05/633413305.db2.gz DHUDHYXXGNXQMW-LLVKDONJSA-N 1 0 293.388 2.068 20 10 CECDRO COc1cc(O)c(C[NH2+]CC[C@@H](C)F)cc1OC ZINC000816643893 633455808 /nfs/dbraw/zinc/45/58/08/633455808.db2.gz UZTNTRAMLLACSQ-SECBINFHSA-N 1 0 257.305 2.247 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CC2(CC(N)=O)CC2)c1O ZINC000817411268 633650530 /nfs/dbraw/zinc/65/05/30/633650530.db2.gz OKHWFUOUPFJFRL-UHFFFAOYSA-N 1 0 282.771 2.099 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)cc1C ZINC000817413084 633652545 /nfs/dbraw/zinc/65/25/45/633652545.db2.gz SWGOSUCSOFMMOP-BXUZGUMPSA-N 1 0 263.381 2.459 20 10 CECDRO COC1([C@H](C)[NH2+]Cc2cc(C)ccc2O)CCOCC1 ZINC000817419409 633655799 /nfs/dbraw/zinc/65/57/99/633655799.db2.gz GSLQIKLNDBVXHZ-ZDUSSCGKSA-N 1 0 279.380 2.374 20 10 CECDRO C[C@@H](NC(=O)NC(C)(C)CC[NH3+])c1ccc(N(C)C)cc1 ZINC000817875899 633749578 /nfs/dbraw/zinc/74/95/78/633749578.db2.gz BCUBXFGGCLWFKH-GFCCVEGCSA-N 1 0 292.427 2.240 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)CC1(C[NH3+])CC1 ZINC000817930136 633784466 /nfs/dbraw/zinc/78/44/66/633784466.db2.gz XWMHOFLIQRDZNJ-UHFFFAOYSA-N 1 0 276.380 2.260 20 10 CECDRO Cc1nccnc1[C@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944169 633790966 /nfs/dbraw/zinc/79/09/66/633790966.db2.gz XUUGNMMEBXEZOK-BBRMVZONSA-N 1 0 299.422 2.202 20 10 CECDRO Cc1nccnc1[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944175 633791173 /nfs/dbraw/zinc/79/11/73/633791173.db2.gz XUUGNMMEBXEZOK-XJKSGUPXSA-N 1 0 299.422 2.202 20 10 CECDRO C[C@H](NC1C[NH2+]C1)c1cc(Cl)c(Cl)cc1O ZINC000817956139 633799486 /nfs/dbraw/zinc/79/94/86/633799486.db2.gz RPLNHDNGTUDUEV-LURJTMIESA-N 1 0 261.152 2.321 20 10 CECDRO CC(C)[C@H](Cn1cccn1)[NH2+]CCc1ccc(N)cc1 ZINC000817957811 633799528 /nfs/dbraw/zinc/79/95/28/633799528.db2.gz PHFUKABERJCOQN-INIZCTEOSA-N 1 0 272.396 2.322 20 10 CECDRO CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959893 633803114 /nfs/dbraw/zinc/80/31/14/633803114.db2.gz WKGLEXBEOPAZRZ-PRHODGIISA-N 1 0 258.312 2.304 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817969200 633811408 /nfs/dbraw/zinc/81/14/08/633811408.db2.gz RQDGZVJSTWGYBE-GXSJLCMTSA-N 1 0 270.323 2.463 20 10 CECDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CN)c1O ZINC000817970417 633813397 /nfs/dbraw/zinc/81/33/97/633813397.db2.gz VBHDUXMXQCNFIH-IUCAKERBSA-N 1 0 287.201 2.461 20 10 CECDRO CCN(C)c1ccc([C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000817977089 633820190 /nfs/dbraw/zinc/82/01/90/633820190.db2.gz AVEBVDBYBXQOHH-DANNLKNASA-N 1 0 259.397 2.011 20 10 CECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cn[nH]c3)C2)cc1 ZINC000818221825 633887528 /nfs/dbraw/zinc/88/75/28/633887528.db2.gz ULXKGSNMGKZLDI-ZDUSSCGKSA-N 1 0 286.379 2.034 20 10 CECDRO Fc1cc(C[NH2+][C@@H]2CC23CC3)ccc1N1CCOCC1 ZINC000818229907 633888207 /nfs/dbraw/zinc/88/82/07/633888207.db2.gz HMSFXKNLQAJYIU-OAHLLOKOSA-N 1 0 276.355 2.304 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2ccc(F)cn2)cc1 ZINC000818941002 634011895 /nfs/dbraw/zinc/01/18/95/634011895.db2.gz AUGCAIJWVSEMLY-INIZCTEOSA-N 1 0 289.354 2.110 20 10 CECDRO O=C(CC[NH2+]Cc1ccc2c(c1)CCO2)Nc1cccnc1 ZINC000818997048 634034213 /nfs/dbraw/zinc/03/42/13/634034213.db2.gz QLCIUKJDBMEORU-UHFFFAOYSA-N 1 0 297.358 2.135 20 10 CECDRO C[N@@H+]1C[C@@H]2CCCN(Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000822520933 634936424 /nfs/dbraw/zinc/93/64/24/634936424.db2.gz SGAUYWLPDVOBDM-SMDDNHRTSA-N 1 0 264.344 2.057 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CC(CC(N)=O)C2)cc1 ZINC000903259621 635032634 /nfs/dbraw/zinc/03/26/34/635032634.db2.gz DNILZTVVPJWQGO-OPFPJEHXSA-N 1 0 289.423 2.447 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2C)c1O ZINC000903300118 635046878 /nfs/dbraw/zinc/04/68/78/635046878.db2.gz GSTGLWZYBYJBGJ-GVXVVHGQSA-N 1 0 264.369 2.144 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(Cl)cc1O ZINC000903317820 635064953 /nfs/dbraw/zinc/06/49/53/635064953.db2.gz VHUGYORTPYMBSP-KOLCDFICSA-N 1 0 254.761 2.400 20 10 CECDRO [NH3+][C@@H]1CN(Cc2cccc(F)c2O)CC[C@@H]1C(F)(F)F ZINC000903984283 635402761 /nfs/dbraw/zinc/40/27/61/635402761.db2.gz SBXOOXKQWAIJKI-GXSJLCMTSA-N 1 0 292.276 2.243 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](SC)C1 ZINC000824683576 635478100 /nfs/dbraw/zinc/47/81/00/635478100.db2.gz QIIHLBVHQKEYQM-SNVBAGLBSA-N 1 0 253.367 2.338 20 10 CECDRO CN(C)c1ccc(C[NH2+]C2(CF)CCOCC2)cc1 ZINC000824690402 635478118 /nfs/dbraw/zinc/47/81/18/635478118.db2.gz DDKJRUSAPWFARQ-UHFFFAOYSA-N 1 0 266.360 2.361 20 10 CECDRO OC[C@@H]([C@H]([NH2+]Cc1ccccc1O)C1CC1)C1CC1 ZINC000824845091 635509921 /nfs/dbraw/zinc/50/99/21/635509921.db2.gz HOMWBWCCNVISTP-GDBMZVCRSA-N 1 0 261.365 2.279 20 10 CECDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1cc(Cl)ccc1O ZINC000825046019 635548611 /nfs/dbraw/zinc/54/86/11/635548611.db2.gz OGIVYONZPHOXEV-JTQLQIEISA-N 1 0 279.771 2.500 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCOC2)cc1Cl ZINC000825107272 635571122 /nfs/dbraw/zinc/57/11/22/635571122.db2.gz FVBRHESJECFGEU-SNVBAGLBSA-N 1 0 255.745 2.480 20 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290.407 2.113 20 10 CECDRO Cc1cc(O)c(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)cc1C ZINC000827151741 636238180 /nfs/dbraw/zinc/23/81/80/636238180.db2.gz IWGLLSWCQUIKOZ-STQMWFEESA-N 1 0 263.381 2.458 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1O ZINC000827151503 636238362 /nfs/dbraw/zinc/23/83/62/636238362.db2.gz CVHGLVKVFJQMDO-MRXNPFEDSA-N 1 0 261.365 2.438 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000827282887 636279512 /nfs/dbraw/zinc/27/95/12/636279512.db2.gz NSMLQJRDYZEDHV-DOTOQJQBSA-N 1 0 274.408 2.490 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c1 ZINC000827281685 636279780 /nfs/dbraw/zinc/27/97/80/636279780.db2.gz JLSHRHWXBLNLRS-BBRMVZONSA-N 1 0 277.364 2.259 20 10 CECDRO CC(C)[N@H+](CC[S@@](C)=O)Cc1ccc(N(C)C)cc1 ZINC000827441764 636320900 /nfs/dbraw/zinc/32/09/00/636320900.db2.gz CDKDZELBITUNSK-LJQANCHMSA-N 1 0 282.453 2.342 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC000827594768 636361993 /nfs/dbraw/zinc/36/19/93/636361993.db2.gz JMAAWGQMYZFOMD-KGLIPLIRSA-N 1 0 277.364 2.259 20 10 CECDRO Oc1ccc2c(c1)C[N@@H+](Cc1ccccc1O)CCO2 ZINC000827656991 636377338 /nfs/dbraw/zinc/37/73/38/636377338.db2.gz LDKJYKATQNVRCZ-UHFFFAOYSA-N 1 0 271.316 2.492 20 10 CECDRO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1O ZINC000827936936 636463186 /nfs/dbraw/zinc/46/31/86/636463186.db2.gz HHXXRBLQNPCBOT-DGCLKSJQSA-N 1 0 262.353 2.054 20 10 CECDRO C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827960888 636470914 /nfs/dbraw/zinc/47/09/14/636470914.db2.gz YGNIEGWPDLIQTH-QWRGUYRKSA-N 1 0 273.336 2.171 20 10 CECDRO C[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccccc1O ZINC000827973700 636476115 /nfs/dbraw/zinc/47/61/15/636476115.db2.gz WWDQULZGVCACOF-RYUDHWBXSA-N 1 0 294.420 2.007 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)CCCCC[NH3+])c1 ZINC000828668099 636651143 /nfs/dbraw/zinc/65/11/43/636651143.db2.gz YTXSJWRMVANMNB-LLVKDONJSA-N 1 0 280.368 2.097 20 10 CECDRO [NH3+]C1(CC(=O)NCc2c(O)ccc3c2CCCC3)CCC1 ZINC000830597590 637107512 /nfs/dbraw/zinc/10/75/12/637107512.db2.gz PKKWIHXNNUIDAI-UHFFFAOYSA-N 1 0 288.391 2.159 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)cc1 ZINC000831255539 637266603 /nfs/dbraw/zinc/26/66/03/637266603.db2.gz PTULJEVBAZWREU-CZUORRHYSA-N 1 0 262.397 2.488 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccsc2)cc1 ZINC000832293264 637535536 /nfs/dbraw/zinc/53/55/36/637535536.db2.gz SPLPJUKTZGXXAY-CQSZACIVSA-N 1 0 289.404 2.244 20 10 CECDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCc2cc(F)c(F)cc21 ZINC000876588434 650347424 /nfs/dbraw/zinc/34/74/24/650347424.db2.gz VFBWQLKCWGXQBS-PGLGOXFNSA-N 1 0 292.329 2.410 20 10 CECDRO O=C(NCCCCC[NH+]1CCCC1)C1=CC(=O)CS1 ZINC000832884112 637697736 /nfs/dbraw/zinc/69/77/36/637697736.db2.gz OLWFLHDDXJEXJN-UHFFFAOYSA-N 1 0 282.409 2.450 20 10 CECDRO Cc1ccc(C[N@@H+]2CCN3CCCC[C@H]3C2)c(O)c1 ZINC000876647090 650373912 /nfs/dbraw/zinc/37/39/12/650373912.db2.gz FREDADUYFQOVBC-HNNXBMFYSA-N 1 0 260.381 2.371 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)C2(OC)CCOCC2)c1 ZINC000834651014 637905063 /nfs/dbraw/zinc/90/50/63/637905063.db2.gz UFUDQQHSYUWXDP-GFCCVEGCSA-N 1 0 295.379 2.075 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000834842990 637967220 /nfs/dbraw/zinc/96/72/20/637967220.db2.gz FLWSKDJUTBOGER-XJKSGUPXSA-N 1 0 281.396 2.447 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1cc(F)ccc1O ZINC000834850763 637970337 /nfs/dbraw/zinc/97/03/37/637970337.db2.gz OYOJBXJYAGGTKU-TZMCWYRMSA-N 1 0 296.386 2.029 20 10 CECDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000834898637 637981299 /nfs/dbraw/zinc/98/12/99/637981299.db2.gz AJZLRXRKYLBSGW-ZYHUDNBSSA-N 1 0 264.369 2.184 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c(O)c1 ZINC000834906521 637983875 /nfs/dbraw/zinc/98/38/75/637983875.db2.gz FYYCSNMJBMOBDI-GRYCIOLGSA-N 1 0 262.353 2.005 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c(C)c1O)C(=O)NC ZINC000834913989 637987587 /nfs/dbraw/zinc/98/75/87/637987587.db2.gz RTJRKAQCEKPHHY-WCQYABFASA-N 1 0 264.369 2.184 20 10 CECDRO C[C@@H]1COCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835024727 638028843 /nfs/dbraw/zinc/02/88/43/638028843.db2.gz BTYYSCKGGKRRBE-ZRUQZJFASA-N 1 0 260.381 2.487 20 10 CECDRO CCC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC(=O)NC ZINC000835027301 638031023 /nfs/dbraw/zinc/03/10/23/638031023.db2.gz KUBGPBLNAHSTIR-SREVYHEPSA-N 1 0 289.423 2.224 20 10 CECDRO CSC[C@@H](CCO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041469 638034945 /nfs/dbraw/zinc/03/49/45/638034945.db2.gz XNGJSLYRBBLMKQ-FOSCPCJNSA-N 1 0 294.464 2.469 20 10 CECDRO CO[C@@]1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CCOC1 ZINC000835047647 638038751 /nfs/dbraw/zinc/03/87/51/638038751.db2.gz STHSDGXBXUDTRU-VGOKWCNXSA-N 1 0 290.407 2.161 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@]2(C)CCC(=O)N2)c1O ZINC000835061885 638044120 /nfs/dbraw/zinc/04/41/20/638044120.db2.gz VRFZQQCCVJTFOH-AWEZNQCLSA-N 1 0 282.771 2.112 20 10 CECDRO CCOc1ccc(N(C)C(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000876674176 650393651 /nfs/dbraw/zinc/39/36/51/650393651.db2.gz CEHHLNRMSHRNLJ-LBPRGKRZSA-N 1 0 260.337 2.096 20 10 CECDRO COCCOC[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876775123 650428199 /nfs/dbraw/zinc/42/81/99/650428199.db2.gz OUGYIXNWJSTLBB-CQSZACIVSA-N 1 0 279.380 2.186 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000876805061 650439603 /nfs/dbraw/zinc/43/96/03/650439603.db2.gz XFMVNUDSZYNIDX-UHFFFAOYSA-N 1 0 277.364 2.082 20 10 CECDRO Cc1ccc(C[N@@H+]2CCSC[C@H]2CCO)c(O)c1 ZINC000876805677 650440653 /nfs/dbraw/zinc/44/06/53/650440653.db2.gz FAVXPUMEOYNLNS-CYBMUJFWSA-N 1 0 267.394 2.000 20 10 CECDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(C)cccc3O)[C@@H]2C1 ZINC000876814046 650443877 /nfs/dbraw/zinc/44/38/77/650443877.db2.gz JIWYQVDJZZIFGH-UNEWFSDZSA-N 1 0 291.391 2.469 20 10 CECDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(C)cc3O)[C@@H]2C1 ZINC000876815457 650443883 /nfs/dbraw/zinc/44/38/83/650443883.db2.gz YELUBYHIFIKIDG-BFYDXBDKSA-N 1 0 291.391 2.469 20 10 CECDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC000913000310 639169351 /nfs/dbraw/zinc/16/93/51/639169351.db2.gz GRWVWDQOGMDXGN-CABCVRRESA-N 1 0 288.391 2.334 20 10 CECDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCc2cccc(F)c21 ZINC000876893954 650477080 /nfs/dbraw/zinc/47/70/80/650477080.db2.gz KVZLOABRFSKFSL-DGMVEKRQSA-N 1 0 274.339 2.271 20 10 CECDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCc2cccc(F)c21 ZINC000876893957 650477167 /nfs/dbraw/zinc/47/71/67/650477167.db2.gz KVZLOABRFSKFSL-ZHRWSRJISA-N 1 0 274.339 2.271 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](C(C)C)N1CCOCC1 ZINC000876909320 650482780 /nfs/dbraw/zinc/48/27/80/650482780.db2.gz XJSZWBKSLKMGGD-INIZCTEOSA-N 1 0 292.423 2.147 20 10 CECDRO Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2)c(O)c1 ZINC000876918248 650486054 /nfs/dbraw/zinc/48/60/54/650486054.db2.gz IYTRWKJMNVDXRP-HNNXBMFYSA-N 1 0 287.359 2.230 20 10 CECDRO COC[C@H]1CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000164455453 639376163 /nfs/dbraw/zinc/37/61/63/639376163.db2.gz OUBNISKLAPZYOT-CYBMUJFWSA-N 1 0 265.353 2.320 20 10 CECDRO C[C@@H](CNC(=O)Nc1ccc(N)cc1)[NH+]1CCCCC1 ZINC000045011766 639377948 /nfs/dbraw/zinc/37/79/48/639377948.db2.gz MAYUXCOEGWTCGZ-LBPRGKRZSA-N 1 0 276.384 2.265 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCCCn1ccnc1 ZINC000226586049 639554710 /nfs/dbraw/zinc/55/47/10/639554710.db2.gz YLAVBWCCSGMVRG-UHFFFAOYSA-N 1 0 263.316 2.298 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCc1nccs1 ZINC000226588584 639555051 /nfs/dbraw/zinc/55/50/51/639555051.db2.gz NJPASQDGNMNAHR-UHFFFAOYSA-N 1 0 252.314 2.320 20 10 CECDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)C1(C)C ZINC000226613491 639555841 /nfs/dbraw/zinc/55/58/41/639555841.db2.gz GFCYOCWAXQRSML-CHWSQXEVSA-N 1 0 253.317 2.434 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CC(=O)N(C(C)C)C2)c(Cl)c1 ZINC000840898651 639576437 /nfs/dbraw/zinc/57/64/37/639576437.db2.gz IXVXXCDYTAPZSD-NSHDSACASA-N 1 0 296.798 2.453 20 10 CECDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)cc2C)nn1 ZINC000840897681 639576567 /nfs/dbraw/zinc/57/65/67/639576567.db2.gz NLULNXFFUMFDKI-UHFFFAOYSA-N 1 0 270.380 2.449 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](CC(N)=O)CC(C)C ZINC000840909459 639582090 /nfs/dbraw/zinc/58/20/90/639582090.db2.gz CJUGBSTZDKWCAU-UHFFFAOYSA-N 1 0 277.412 2.004 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840911212 639582649 /nfs/dbraw/zinc/58/26/49/639582649.db2.gz XKGUEAABVKONJG-SNVBAGLBSA-N 1 0 283.755 2.349 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)CCN2CCOCC2)c(Cl)c1 ZINC000840914994 639584265 /nfs/dbraw/zinc/58/42/65/639584265.db2.gz YGABOBAUVLNEPQ-UHFFFAOYSA-N 1 0 298.814 2.118 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCN1CCCC1=O ZINC000840928315 639588889 /nfs/dbraw/zinc/58/88/89/639588889.db2.gz OZTIXDUQPWCPDV-UHFFFAOYSA-N 1 0 289.423 2.163 20 10 CECDRO Cn1cc(C[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000227439197 639590609 /nfs/dbraw/zinc/59/06/09/639590609.db2.gz ARDUGNCPYCOJEA-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000840934218 639590843 /nfs/dbraw/zinc/59/08/43/639590843.db2.gz OHLBJQWVMCJDCS-MRXNPFEDSA-N 1 0 289.423 2.160 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(Cl)c1 ZINC000840940728 639593757 /nfs/dbraw/zinc/59/37/57/639593757.db2.gz DDJONCSKGDXLSI-AWEZNQCLSA-N 1 0 282.771 2.051 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000840940084 639594289 /nfs/dbraw/zinc/59/42/89/639594289.db2.gz VEMLYRNYDOYCSN-YJYMSZOUSA-N 1 0 282.453 2.260 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2ccn(CC)n2)c(O)c1 ZINC000840956039 639600265 /nfs/dbraw/zinc/60/02/65/639600265.db2.gz HRYDLXMIWFNIOH-UHFFFAOYSA-N 1 0 275.352 2.297 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c1O ZINC000840958452 639601641 /nfs/dbraw/zinc/60/16/41/639601641.db2.gz RGLUDAVRGYMOIJ-NSHDSACASA-N 1 0 296.798 2.264 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000840970525 639605108 /nfs/dbraw/zinc/60/51/08/639605108.db2.gz AQVDFFPYRYGFRM-YPMHNXCESA-N 1 0 271.307 2.339 20 10 CECDRO CN(C)c1ccc(/C=C\CNC[C@H]2CCC[NH2+]2)cc1 ZINC000841034536 639626663 /nfs/dbraw/zinc/62/66/63/639626663.db2.gz DYUAUNZHBQVWDV-UYWPIULCSA-N 1 0 259.397 2.107 20 10 CECDRO [O-]c1c(Br)cccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841036407 639627445 /nfs/dbraw/zinc/62/74/45/639627445.db2.gz MTVKMIAQNAVLEA-SNVBAGLBSA-N 1 0 299.212 2.244 20 10 CECDRO NC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000841039607 639629677 /nfs/dbraw/zinc/62/96/77/639629677.db2.gz WIKIEOLHWCSBTG-CYBMUJFWSA-N 1 0 292.379 2.118 20 10 CECDRO C[C@H](C[NH3+])NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841060043 639636741 /nfs/dbraw/zinc/63/67/41/639636741.db2.gz DUBJYTKQNZIBPP-GFCCVEGCSA-N 1 0 292.383 2.022 20 10 CECDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1cc(Br)ccc1O ZINC000841059575 639637112 /nfs/dbraw/zinc/63/71/12/639637112.db2.gz UUTXMQQXLMKTCB-CABZTGNLSA-N 1 0 299.212 2.242 20 10 CECDRO C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841063238 639638572 /nfs/dbraw/zinc/63/85/72/639638572.db2.gz GUKKFPVJXUEWPP-GZMMTYOYSA-N 1 0 272.751 2.272 20 10 CECDRO CNC(=O)C1CCC([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876974906 650513795 /nfs/dbraw/zinc/51/37/95/650513795.db2.gz XFWALSHERYLPNJ-UHFFFAOYSA-N 1 0 276.380 2.095 20 10 CECDRO Cc1cc(O)c(CN[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000841074575 639644848 /nfs/dbraw/zinc/64/48/48/639644848.db2.gz DKLVPWJNHUFGKN-CYBMUJFWSA-N 1 0 270.323 2.096 20 10 CECDRO Oc1ccc(Cl)cc1CN[C@@H]1C[NH2+]CCC1(F)F ZINC000841074995 639646246 /nfs/dbraw/zinc/64/62/46/639646246.db2.gz KHDVJNCGCYFIRB-LLVKDONJSA-N 1 0 276.714 2.132 20 10 CECDRO C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841079980 639648671 /nfs/dbraw/zinc/64/86/71/639648671.db2.gz MLHRTMCFBLYDAY-QMMMGPOBSA-N 1 0 260.740 2.402 20 10 CECDRO COc1cccc(C[NH2+][C@@H](CN)C2CCCC2)c1O ZINC000841088249 639651339 /nfs/dbraw/zinc/65/13/39/639651339.db2.gz UCRUNMQTEGEQKX-ZDUSSCGKSA-N 1 0 264.369 2.008 20 10 CECDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CC1 ZINC000228949557 639667073 /nfs/dbraw/zinc/66/70/73/639667073.db2.gz ODLDMVFUABIEDL-RYUDHWBXSA-N 1 0 275.396 2.070 20 10 CECDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2cc(F)ccc2O)C1 ZINC000841106261 639682981 /nfs/dbraw/zinc/68/29/81/639682981.db2.gz IOLZOBBUBDLOCF-CQSZACIVSA-N 1 0 272.323 2.421 20 10 CECDRO C[NH+]1CCC(CCNC(=O)Nc2ccc(N)cc2)CC1 ZINC000229946613 639725700 /nfs/dbraw/zinc/72/57/00/639725700.db2.gz JRONWELJLLKZDT-UHFFFAOYSA-N 1 0 276.384 2.122 20 10 CECDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(N)cc3)C2)C1 ZINC000841298772 639732219 /nfs/dbraw/zinc/73/22/19/639732219.db2.gz FXYBJZIAYAEUKL-INIZCTEOSA-N 1 0 288.395 2.218 20 10 CECDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841297617 639732276 /nfs/dbraw/zinc/73/22/76/639732276.db2.gz HQZZOODQAFKEBN-AWEZNQCLSA-N 1 0 276.384 2.217 20 10 CECDRO COc1ccc(C[NH2+]CCc2ccnn2C)cc1C ZINC000231032732 639822034 /nfs/dbraw/zinc/82/20/34/639822034.db2.gz PGNXMQISXPUMLC-UHFFFAOYSA-N 1 0 259.353 2.069 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)[C@H]1CN(C)CCO1 ZINC000841747805 639856751 /nfs/dbraw/zinc/85/67/51/639856751.db2.gz DPLLQRQHFYGNDX-FIXISWKDSA-N 1 0 298.814 2.415 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(Cl)cc1O ZINC000841748062 639857446 /nfs/dbraw/zinc/85/74/46/639857446.db2.gz VVWNKYXBQHQWIP-GXSJLCMTSA-N 1 0 254.761 2.400 20 10 CECDRO C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(Cl)cc1O ZINC000841745743 639857477 /nfs/dbraw/zinc/85/74/77/639857477.db2.gz ACAPMDFTYQNGHX-VXGBXAGGSA-N 1 0 298.814 2.417 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(CC(F)F)C2)cc1C ZINC000841894873 639901317 /nfs/dbraw/zinc/90/13/17/639901317.db2.gz ZCPYTUIPSUAGLE-ZDUSSCGKSA-N 1 0 284.350 2.438 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2C[C@@](C)(O)C2)ccc1OC ZINC000841892460 639901540 /nfs/dbraw/zinc/90/15/40/639901540.db2.gz ZFXYWPWYWFRYTI-FZNQNYSPSA-N 1 0 279.380 2.235 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]([NH3+])CC ZINC000842009109 639918163 /nfs/dbraw/zinc/91/81/63/639918163.db2.gz XKRBGMRFHIQFDQ-AWEZNQCLSA-N 1 0 293.411 2.441 20 10 CECDRO Cc1ccc(C[NH2+]C(C)(C)c2cnn(C)c2)c(O)c1 ZINC000877045285 650545038 /nfs/dbraw/zinc/54/50/38/650545038.db2.gz UUYYHDQGMAQKEH-UHFFFAOYSA-N 1 0 259.353 2.459 20 10 CECDRO COc1ccc2c(c1)CCCN2CC[C@@H]1CC[NH2+]C1 ZINC000842471653 640071293 /nfs/dbraw/zinc/07/12/93/640071293.db2.gz OWFVGRSDHKONET-ZDUSSCGKSA-N 1 0 260.381 2.447 20 10 CECDRO Cc1ccc(C[NH2+]CC[S@](=O)C(C)(C)C)c(O)c1 ZINC000877055393 650550858 /nfs/dbraw/zinc/55/08/58/650550858.db2.gz MPZKLRYMHVJMMT-SFHVURJKSA-N 1 0 269.410 2.337 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000877053713 650550947 /nfs/dbraw/zinc/55/09/47/650550947.db2.gz XGOZUBWJJMDYSF-GFCCVEGCSA-N 1 0 257.337 2.071 20 10 CECDRO C[C@H]([NH2+]CCCc1ncn(C)n1)c1ccc(N(C)C)cc1 ZINC000842898662 640215991 /nfs/dbraw/zinc/21/59/91/640215991.db2.gz GFGCDWGLPHOCEX-ZDUSSCGKSA-N 1 0 287.411 2.165 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCc2ncn(C)n2)c(O)c1 ZINC000842902150 640216938 /nfs/dbraw/zinc/21/69/38/640216938.db2.gz MBIJBMPAUIEUSH-LBPRGKRZSA-N 1 0 274.368 2.113 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000842909547 640219539 /nfs/dbraw/zinc/21/95/39/640219539.db2.gz IRLIDWRZDORRDB-XTWCZFFVSA-N 1 0 271.744 2.110 20 10 CECDRO COc1cc(O)c(CN2CCCC[C@H]2[C@H](C)[NH3+])cc1OC ZINC000843044717 640249426 /nfs/dbraw/zinc/24/94/26/640249426.db2.gz GHEHQPMUJDQNGN-AAEUAGOBSA-N 1 0 294.395 2.111 20 10 CECDRO [NH3+]CC1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000843047671 640251974 /nfs/dbraw/zinc/25/19/74/640251974.db2.gz UYVNWBZSVQCPCQ-UHFFFAOYSA-N 1 0 299.212 2.325 20 10 CECDRO C[NH2+]CC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000843049418 640253345 /nfs/dbraw/zinc/25/33/45/640253345.db2.gz LKFOXGXTQHKOSX-UHFFFAOYSA-N 1 0 268.788 2.477 20 10 CECDRO Cc1cc(Cl)cc(CN(C)[C@@H]2CC[NH2+]C2)c1O ZINC000843049936 640253732 /nfs/dbraw/zinc/25/37/32/640253732.db2.gz ZBVJWTLLVNIKPZ-GFCCVEGCSA-N 1 0 254.761 2.148 20 10 CECDRO COc1ccc2c(c1)CCCN2C[C@]1(C)CC[NH2+]C1 ZINC000843070679 640267763 /nfs/dbraw/zinc/26/77/63/640267763.db2.gz WTOIPQCKTQBLIC-MRXNPFEDSA-N 1 0 260.381 2.447 20 10 CECDRO CN(C)c1ccc(CN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000843118061 640287524 /nfs/dbraw/zinc/28/75/24/640287524.db2.gz VVVXAOUOXMIIDF-SFHVURJKSA-N 1 0 296.418 2.294 20 10 CECDRO Cc1cccc(CN2CC[NH2+]C[C@H]2c2ccncc2)c1O ZINC000843120474 640289636 /nfs/dbraw/zinc/28/96/36/640289636.db2.gz MGHHWXOPVOQXIL-INIZCTEOSA-N 1 0 283.375 2.242 20 10 CECDRO Cc1cccc(CN[C@@H]2CC[NH2+]C23CCCC3)c1O ZINC000843127193 640293064 /nfs/dbraw/zinc/29/30/64/640293064.db2.gz BKICCSMHWIWXCT-CQSZACIVSA-N 1 0 260.381 2.465 20 10 CECDRO CC(C)N(C)C(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349755 640399259 /nfs/dbraw/zinc/39/92/59/640399259.db2.gz AJYMPFADFVHIDT-CYBMUJFWSA-N 1 0 289.423 2.153 20 10 CECDRO CCCCNC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349895 640399274 /nfs/dbraw/zinc/39/92/74/640399274.db2.gz LTRQHECFAXIOSQ-ZDUSSCGKSA-N 1 0 289.423 2.203 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)C2([NH3+])CCCCC2)c1 ZINC000843489074 640441137 /nfs/dbraw/zinc/44/11/37/640441137.db2.gz CSHWIMFJQPQQOD-LLVKDONJSA-N 1 0 292.379 2.240 20 10 CECDRO CC[C@H](C[N@H+](C)CCN(C)c1ccc(OC)cc1)OC ZINC000844402248 640709863 /nfs/dbraw/zinc/70/98/63/640709863.db2.gz QVRVJYHTYOPDEL-OAHLLOKOSA-N 1 0 280.412 2.488 20 10 CECDRO COC(=O)CC1CC([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000845971145 641140684 /nfs/dbraw/zinc/14/06/84/641140684.db2.gz HKFABKJEDGFELQ-VOMCLLRMSA-N 1 0 293.363 2.393 20 10 CECDRO COC(=O)CC1([NH2+]Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000846027830 641157341 /nfs/dbraw/zinc/15/73/41/641157341.db2.gz WKOMTQDXLUIUHT-UHFFFAOYSA-N 1 0 299.754 2.240 20 10 CECDRO Oc1c(C[NH2+]CC[C@@]2(O)CCOC2)ccc2ccccc21 ZINC000846048417 641164815 /nfs/dbraw/zinc/16/48/15/641164815.db2.gz GQNNYUVMRYWEQO-QGZVFWFLSA-N 1 0 287.359 2.177 20 10 CECDRO COc1cccc(O)c1C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000846058105 641165526 /nfs/dbraw/zinc/16/55/26/641165526.db2.gz LGSAITWFLMJQSM-LBPRGKRZSA-N 1 0 279.380 2.241 20 10 CECDRO O=C1C[C@H](C[NH2+]Cc2c(O)cccc2Cl)CN1C1CC1 ZINC000846074990 641174521 /nfs/dbraw/zinc/17/45/21/641174521.db2.gz JUUFLTRPAHFHDE-SNVBAGLBSA-N 1 0 294.782 2.146 20 10 CECDRO O=C1C[C@@H](C[NH2+]Cc2c(O)cccc2Cl)CN1C1CC1 ZINC000846074989 641174597 /nfs/dbraw/zinc/17/45/97/641174597.db2.gz JUUFLTRPAHFHDE-JTQLQIEISA-N 1 0 294.782 2.146 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H](C)COCC2CC2)cc1OC ZINC000846072441 641174800 /nfs/dbraw/zinc/17/48/00/641174800.db2.gz GODNDUAOYNPQBA-NSHDSACASA-N 1 0 295.379 2.314 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)CCF)cc1 ZINC000846095539 641179045 /nfs/dbraw/zinc/17/90/45/641179045.db2.gz AZCJWYMMSXNCJD-XGACYXMMSA-N 1 0 266.360 2.076 20 10 CECDRO CCN1C[C@H](C[NH2+]Cc2cc(Cl)ccc2O)CC1=O ZINC000846095698 641179286 /nfs/dbraw/zinc/17/92/86/641179286.db2.gz ZHOQUVFRDLERCA-JTQLQIEISA-N 1 0 282.771 2.004 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCC2(CO)CCC2)c1 ZINC000846103527 641183064 /nfs/dbraw/zinc/18/30/64/641183064.db2.gz ZWLACFVNNBFHAJ-UHFFFAOYSA-N 1 0 279.380 2.433 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC2CCOCC2)c1O ZINC000846142715 641199391 /nfs/dbraw/zinc/19/93/91/641199391.db2.gz VRZKYHYUPHWOCG-LLVKDONJSA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@]2(C)CCOC2)c1O ZINC000846143407 641200668 /nfs/dbraw/zinc/20/06/68/641200668.db2.gz FKEDIWGEIAXHON-IAQYHMDHSA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)CCO)c1O ZINC000846144713 641200726 /nfs/dbraw/zinc/20/07/26/641200726.db2.gz INMSFTOBWFPXCW-LLVKDONJSA-N 1 0 267.369 2.460 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCOC2)c1O ZINC000846146473 641201861 /nfs/dbraw/zinc/20/18/61/641201861.db2.gz RVIHCZFACBZNIP-GHMZBOCLSA-N 1 0 251.326 2.088 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CCCO)c1O ZINC000846150324 641203096 /nfs/dbraw/zinc/20/30/96/641203096.db2.gz POCPKWMVJCFMJZ-GHMZBOCLSA-N 1 0 253.342 2.212 20 10 CECDRO CCc1nnc([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)[nH]1 ZINC000846157389 641206920 /nfs/dbraw/zinc/20/69/20/641206920.db2.gz MEMZANKEZUTMHL-ZJUUUORDSA-N 1 0 290.367 2.493 20 10 CECDRO CCc1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)[nH]1 ZINC000846157386 641207176 /nfs/dbraw/zinc/20/71/76/641207176.db2.gz MEMZANKEZUTMHL-NXEZZACHSA-N 1 0 290.367 2.493 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846163134 641208936 /nfs/dbraw/zinc/20/89/36/641208936.db2.gz KXUAFCWSXCTXGE-OSAQELSMSA-N 1 0 295.379 2.245 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846163129 641209371 /nfs/dbraw/zinc/20/93/71/641209371.db2.gz KXUAFCWSXCTXGE-CORIIIEPSA-N 1 0 295.379 2.245 20 10 CECDRO COC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@H]1CCCO1 ZINC000846167582 641210488 /nfs/dbraw/zinc/21/04/88/641210488.db2.gz LAMLJILOGNGODE-FPMFFAJLSA-N 1 0 295.379 2.245 20 10 CECDRO C[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1cc(Cl)ccc1O ZINC000846192186 641217815 /nfs/dbraw/zinc/21/78/15/641217815.db2.gz FWZLZQPPULXMAJ-YGRLFVJLSA-N 1 0 285.771 2.238 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN2CCCC2=O)cc1 ZINC000846208838 641223202 /nfs/dbraw/zinc/22/32/02/641223202.db2.gz MKQHQDNHUHDDDS-AWEZNQCLSA-N 1 0 289.423 2.416 20 10 CECDRO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1O ZINC000877255449 650644103 /nfs/dbraw/zinc/64/41/03/650644103.db2.gz DGIBUIMAFKGQTE-JURCDPSOSA-N 1 0 288.391 2.490 20 10 CECDRO CCN1C[C@H](C[NH2+][C@H](C)c2ccc(N(C)C)cc2)OC1=O ZINC000846861745 641458954 /nfs/dbraw/zinc/45/89/54/641458954.db2.gz RFGJONOIGUPQSY-DOMZBBRYSA-N 1 0 291.395 2.244 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCOCC(F)(F)F)cc1 ZINC000070167120 641640469 /nfs/dbraw/zinc/64/04/69/641640469.db2.gz FBRJWSVRMUHADU-UHFFFAOYSA-N 1 0 276.302 2.421 20 10 CECDRO CCCN(Cc1ccc(N(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314629 641739975 /nfs/dbraw/zinc/73/99/75/641739975.db2.gz WWPYMRFUFFAMIP-MRXNPFEDSA-N 1 0 261.413 2.327 20 10 CECDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000076275453 641842454 /nfs/dbraw/zinc/84/24/54/641842454.db2.gz XPPYYBCOOBMHRB-AWEZNQCLSA-N 1 0 262.397 2.393 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCC3(C2)OCCO3)c1 ZINC000184721879 641896871 /nfs/dbraw/zinc/89/68/71/641896871.db2.gz FTPBJOBBDTWECX-UHFFFAOYSA-N 1 0 263.337 2.040 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1cc(F)ccc1O ZINC000185791825 642029218 /nfs/dbraw/zinc/02/92/18/642029218.db2.gz AJFVKUYWZVEZAR-VHSXEESVSA-N 1 0 289.372 2.005 20 10 CECDRO CO[C@](C)(CO)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000848559289 642053115 /nfs/dbraw/zinc/05/31/15/642053115.db2.gz RUNKTUCNEJLCAK-SJCJKPOMSA-N 1 0 293.407 2.319 20 10 CECDRO Oc1ccccc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848575652 642062904 /nfs/dbraw/zinc/06/29/04/642062904.db2.gz URHHWBSKPCTISU-HUUCEWRRSA-N 1 0 260.381 2.499 20 10 CECDRO Oc1ccccc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848575650 642063411 /nfs/dbraw/zinc/06/34/11/642063411.db2.gz URHHWBSKPCTISU-CABCVRRESA-N 1 0 260.381 2.499 20 10 CECDRO COc1cc(Cl)cc(CN[C@H](C[NH3+])C(F)(F)F)c1O ZINC000848714390 642109424 /nfs/dbraw/zinc/10/94/24/642109424.db2.gz ONVDFXDSUDHSMI-SECBINFHSA-N 1 0 298.692 2.033 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](O)[C@H](C)CC)c1O ZINC000848894403 642175497 /nfs/dbraw/zinc/17/54/97/642175497.db2.gz FAPGMTFAARWJQB-BXUZGUMPSA-N 1 0 251.370 2.451 20 10 CECDRO CCc1cccc(C[NH2+]C(C)(C)CC(=O)OC)c1O ZINC000848899398 642179313 /nfs/dbraw/zinc/17/93/13/642179313.db2.gz FPFBUTQKPZYWIG-UHFFFAOYSA-N 1 0 265.353 2.386 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)CN2CCOCC2)c(Cl)c1 ZINC000921543581 642218279 /nfs/dbraw/zinc/21/82/79/642218279.db2.gz FKJUTQNIJHEAQM-LBPRGKRZSA-N 1 0 298.814 2.164 20 10 CECDRO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921583673 642250722 /nfs/dbraw/zinc/25/07/22/642250722.db2.gz YREMWFYJWGUIBR-UHFFFAOYSA-N 1 0 257.337 2.035 20 10 CECDRO COc1ccc(N2CC[C@H](CNC(=[NH2+])NC(C)C)C2)cc1 ZINC000849044095 642253103 /nfs/dbraw/zinc/25/31/03/642253103.db2.gz SZMKNOXITGXAHF-CYBMUJFWSA-N 1 0 290.411 2.044 20 10 CECDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCNC(=O)CC1 ZINC000877478243 650740771 /nfs/dbraw/zinc/74/07/71/650740771.db2.gz LIAURCSMBREQBA-OAHLLOKOSA-N 1 0 275.396 2.030 20 10 CECDRO Cc1cccc(O)c1C[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000877485554 650744276 /nfs/dbraw/zinc/74/42/76/650744276.db2.gz ZBPSIMWGRKYVEQ-GASCZTMLSA-N 1 0 292.423 2.242 20 10 CECDRO COc1cc(O)c(C[NH2+]Cc2cccc(N)c2)cc1OC ZINC000849350764 642340038 /nfs/dbraw/zinc/34/00/38/642340038.db2.gz VKWPIYZIFNUILX-UHFFFAOYSA-N 1 0 288.347 2.281 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000877487285 650745597 /nfs/dbraw/zinc/74/55/97/650745597.db2.gz SDCYYXWEIKIOIB-CZUORRHYSA-N 1 0 277.364 2.080 20 10 CECDRO COCC[NH2+]Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000850008741 642540146 /nfs/dbraw/zinc/54/01/46/642540146.db2.gz YJWWOZHRLRODNW-UHFFFAOYSA-N 1 0 267.369 2.434 20 10 CECDRO NC(=O)C1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921742744 642568987 /nfs/dbraw/zinc/56/89/87/642568987.db2.gz IHWFRDCXRMOAMN-UHFFFAOYSA-N 1 0 288.391 2.145 20 10 CECDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000186475876 642612478 /nfs/dbraw/zinc/61/24/78/642612478.db2.gz CUSWTPBQYZDYDY-CYBMUJFWSA-N 1 0 278.352 2.021 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)CN(C)C)c(Cl)c1 ZINC000850300431 642659700 /nfs/dbraw/zinc/65/97/00/642659700.db2.gz MPNRBINFZRXCKR-JTQLQIEISA-N 1 0 256.777 2.394 20 10 CECDRO C[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccccn1 ZINC000850341206 642673444 /nfs/dbraw/zinc/67/34/44/642673444.db2.gz BYNBUPLJCUZIFS-LLVKDONJSA-N 1 0 286.331 2.409 20 10 CECDRO COC[C@H]([NH2+]Cc1cc(C)ccc1O)C1CCOCC1 ZINC000850350715 642676892 /nfs/dbraw/zinc/67/68/92/642676892.db2.gz GOZWXHGEVNGSCN-HNNXBMFYSA-N 1 0 279.380 2.232 20 10 CECDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc(C)ccc2O)C1 ZINC000850353488 642679052 /nfs/dbraw/zinc/67/90/52/642679052.db2.gz DQGLJYIZKYTUQB-BMFZPTHFSA-N 1 0 293.407 2.356 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c(O)c1 ZINC000877537306 650775056 /nfs/dbraw/zinc/77/50/56/650775056.db2.gz KPTHPTKAZLGSIJ-WMLDXEAASA-N 1 0 285.343 2.285 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)cc1C ZINC000850367777 642684777 /nfs/dbraw/zinc/68/47/77/642684777.db2.gz DHBRCFAUTKZXDR-JSGCOSHPSA-N 1 0 297.420 2.059 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC000850395902 642699653 /nfs/dbraw/zinc/69/96/53/642699653.db2.gz DQBJINDYADCSOX-INIZCTEOSA-N 1 0 290.407 2.044 20 10 CECDRO CON(C)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000850477457 642724454 /nfs/dbraw/zinc/72/44/54/642724454.db2.gz GVQMCJWIBLECKB-JTQLQIEISA-N 1 0 272.776 2.498 20 10 CECDRO CC[C@H](COC)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489923 642730999 /nfs/dbraw/zinc/73/09/99/642730999.db2.gz YDLPUPXSBLVQLE-ZIAGYGMSSA-N 1 0 278.396 2.289 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000877572633 650795079 /nfs/dbraw/zinc/79/50/79/650795079.db2.gz RLQJOGLCEZSKME-GXFFZTMASA-N 1 0 289.297 2.446 20 10 CECDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(C)cc2O)CC1=O ZINC000877595109 650806492 /nfs/dbraw/zinc/80/64/92/650806492.db2.gz RRHXVOKDVKZUFU-CYBMUJFWSA-N 1 0 276.380 2.049 20 10 CECDRO COC(OC)[C@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000922313260 643023242 /nfs/dbraw/zinc/02/32/42/643023242.db2.gz DRBFZEDAAVPXDW-NSHDSACASA-N 1 0 253.342 2.106 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)ccc1OC ZINC000922556352 643125327 /nfs/dbraw/zinc/12/53/27/643125327.db2.gz GHESGGJDMLHAMJ-CZUORRHYSA-N 1 0 292.423 2.414 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@@H]2CCN2C)ccc1OC ZINC000922573902 643132511 /nfs/dbraw/zinc/13/25/11/643132511.db2.gz HFXSZFPZTIWEIB-HNNXBMFYSA-N 1 0 278.396 2.025 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(OC)CCSC2)c1 ZINC000922571069 643134458 /nfs/dbraw/zinc/13/44/58/643134458.db2.gz FDHCLNLIRDWNQF-HNNXBMFYSA-N 1 0 297.420 2.403 20 10 CECDRO CC(C)CNC(=O)CCC[N@H+](C)Cc1ccccc1O ZINC000851840846 643186076 /nfs/dbraw/zinc/18/60/76/643186076.db2.gz JPBFHPYBGCILKZ-UHFFFAOYSA-N 1 0 278.396 2.376 20 10 CECDRO COc1ccc(C[NH2+]C2CSC2)cc1Cn1cccn1 ZINC000877633592 650824718 /nfs/dbraw/zinc/82/47/18/650824718.db2.gz CPMDXXHKWXQABG-UHFFFAOYSA-N 1 0 289.404 2.145 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccccn2)c1 ZINC000851900102 643215090 /nfs/dbraw/zinc/21/50/90/643215090.db2.gz PDDGCEFXMAJQKC-BZNIZROVSA-N 1 0 288.347 2.180 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c(Cl)c1 ZINC000922725252 643225275 /nfs/dbraw/zinc/22/52/75/643225275.db2.gz JIKCUSBYAXKPDJ-HFAKWTLXSA-N 1 0 297.782 2.248 20 10 CECDRO CCCOc1ccc(C[NH2+]CC[C@H]2CNC(=O)C2)cc1C ZINC000922781084 643260914 /nfs/dbraw/zinc/26/09/14/643260914.db2.gz MGTZTHQFTLBGSO-OAHLLOKOSA-N 1 0 290.407 2.400 20 10 CECDRO COC(=O)NC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877644046 650831347 /nfs/dbraw/zinc/83/13/47/650831347.db2.gz LBKSOVKNUTXPJD-UHFFFAOYSA-N 1 0 278.352 2.021 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000877639129 650829111 /nfs/dbraw/zinc/82/91/11/650829111.db2.gz WJHZZPMLLVTNLK-CQSZACIVSA-N 1 0 288.391 2.145 20 10 CECDRO COC[C@H]([NH2+]Cc1cccc(OC)c1O)C(C)C ZINC000086695400 643378029 /nfs/dbraw/zinc/37/80/29/643378029.db2.gz DHGVJOCILVJUEG-LBPRGKRZSA-N 1 0 253.342 2.161 20 10 CECDRO CO[C@H](C[NH2+]Cc1cc(C)ccc1O)C1CCOCC1 ZINC000877652875 650834656 /nfs/dbraw/zinc/83/46/56/650834656.db2.gz OPRQJQQPRAWILG-MRXNPFEDSA-N 1 0 279.380 2.232 20 10 CECDRO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000877673709 650844228 /nfs/dbraw/zinc/84/42/28/650844228.db2.gz HJKZHDAPXLLSFA-OAHLLOKOSA-N 1 0 276.380 2.191 20 10 CECDRO COCC[N@H+](CCF)Cc1ccc(N(C)C)c(C)c1 ZINC000852479690 643438722 /nfs/dbraw/zinc/43/87/22/643438722.db2.gz JOWAJMSGZHUWSE-UHFFFAOYSA-N 1 0 268.376 2.479 20 10 CECDRO Oc1ccccc1C[NH2+]CCc1cccc2c1OCCO2 ZINC000922946146 643472525 /nfs/dbraw/zinc/47/25/25/643472525.db2.gz AVPJAYOGBJUAII-UHFFFAOYSA-N 1 0 285.343 2.496 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1O ZINC000852584969 643482349 /nfs/dbraw/zinc/48/23/49/643482349.db2.gz VVRVLWGNPYOLRN-KGLIPLIRSA-N 1 0 293.338 2.127 20 10 CECDRO O=C(C=C1CC[NH2+]CC1)N1CCc2ccc(F)cc21 ZINC000852825014 643566771 /nfs/dbraw/zinc/56/67/71/643566771.db2.gz GMCGMRBCTIAANP-UHFFFAOYSA-N 1 0 260.312 2.025 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1N(C)C ZINC000923392224 643691810 /nfs/dbraw/zinc/69/18/10/643691810.db2.gz ITRCPSYPQKBMEU-DZGCQCFKSA-N 1 0 261.413 2.373 20 10 CECDRO C[NH2+]C[C@@H](C)NCc1cc(Br)cc(C)c1O ZINC000853249389 643721883 /nfs/dbraw/zinc/72/18/83/643721883.db2.gz QNYMZQXOWFEHCO-SECBINFHSA-N 1 0 287.201 2.161 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1C ZINC000853524572 643801472 /nfs/dbraw/zinc/80/14/72/643801472.db2.gz ZANGAEVDXDBBLA-AWEZNQCLSA-N 1 0 286.379 2.123 20 10 CECDRO COCC[N@H+](CCF)Cc1c(O)ccc2ccncc21 ZINC000853548617 643810208 /nfs/dbraw/zinc/81/02/08/643810208.db2.gz JCUWSPBJXOZHIC-UHFFFAOYSA-N 1 0 278.327 2.358 20 10 CECDRO COCC[N@H+](CCF)Cc1cc2c(cc1O)CCC2 ZINC000853548610 643810458 /nfs/dbraw/zinc/81/04/58/643810458.db2.gz IOSWVLQDCFOWIB-UHFFFAOYSA-N 1 0 267.344 2.299 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c1 ZINC000853565701 643814452 /nfs/dbraw/zinc/81/44/52/643814452.db2.gz IWQSYCMXAAUSSE-GOEBONIOSA-N 1 0 261.365 2.477 20 10 CECDRO COc1cccc(C[NH2+]CCOC2CCCC2)c1O ZINC000111607863 643907541 /nfs/dbraw/zinc/90/75/41/643907541.db2.gz WFUBEHMORTYIFY-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1ccc(N2CC[C@@H](N[C@H](C)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000854216631 644013075 /nfs/dbraw/zinc/01/30/75/644013075.db2.gz BNZPQFYZGXGJFZ-CPUCHLNUSA-N 1 0 289.423 2.004 20 10 CECDRO C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(Br)cc1O ZINC000854232172 644019008 /nfs/dbraw/zinc/01/90/08/644019008.db2.gz NVBVIRLDNDTUBK-RKDXNWHRSA-N 1 0 287.201 2.413 20 10 CECDRO COCCC1(C)C[NH+](Cc2c(O)cccc2OC)C1 ZINC000839143403 644174082 /nfs/dbraw/zinc/17/40/82/644174082.db2.gz QCJOZCLXPOFWAX-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1O)[C@@H]1CCOC1 ZINC000877758040 650899925 /nfs/dbraw/zinc/89/99/25/650899925.db2.gz GKEYJPUYBQXPCU-ZOWXZIJZSA-N 1 0 265.353 2.094 20 10 CECDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000877836098 650928908 /nfs/dbraw/zinc/92/89/08/650928908.db2.gz MSHXXRNYYASPSG-LLVKDONJSA-N 1 0 253.317 2.124 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)cc1 ZINC000877835924 650928960 /nfs/dbraw/zinc/92/89/60/650928960.db2.gz ZDMYYADZLPXGLN-AWEZNQCLSA-N 1 0 262.397 2.345 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2cnccn2)c1 ZINC000756493449 644655201 /nfs/dbraw/zinc/65/52/01/644655201.db2.gz FBIBUSJDCNPMLP-RYUDHWBXSA-N 1 0 287.363 2.473 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCOC[C@@H]2C)c(O)c1 ZINC000756533048 644659403 /nfs/dbraw/zinc/65/94/03/644659403.db2.gz HOOHVXKISUMQMM-KBPBESRZSA-N 1 0 278.396 2.072 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c1 ZINC000756542504 644661041 /nfs/dbraw/zinc/66/10/41/644661041.db2.gz ASPMNNACGPEWHV-UONOGXRCSA-N 1 0 278.396 2.072 20 10 CECDRO CC(C)N1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)CC1=O ZINC000756739755 644688557 /nfs/dbraw/zinc/68/85/57/644688557.db2.gz ZCFMOKQKCSATAM-PWSUYJOCSA-N 1 0 280.343 2.191 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)c(O)c1 ZINC000756738301 644688585 /nfs/dbraw/zinc/68/85/85/644688585.db2.gz NUMAFTSXYBUJDH-LRDDRELGSA-N 1 0 279.380 2.139 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)N(C)C ZINC000756738233 644688687 /nfs/dbraw/zinc/68/86/87/644688687.db2.gz DQISIRQHNGWMGA-NWDGAFQWSA-N 1 0 290.407 2.398 20 10 CECDRO CCOc1cncc(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000857046783 644799758 /nfs/dbraw/zinc/79/97/58/644799758.db2.gz RSZTUOROKLBCBS-UHFFFAOYSA-N 1 0 288.347 2.484 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1O ZINC000857061971 644806073 /nfs/dbraw/zinc/80/60/73/644806073.db2.gz XESQPEPROHZYGH-JSGCOSHPSA-N 1 0 279.380 2.241 20 10 CECDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000757708301 644838961 /nfs/dbraw/zinc/83/89/61/644838961.db2.gz XIFJWPXWXXECMG-SUMWQHHRSA-N 1 0 273.424 2.325 20 10 CECDRO CCOc1ccc(O)c(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000857226302 644858105 /nfs/dbraw/zinc/85/81/05/644858105.db2.gz KISNRORGNISBMM-CZUORRHYSA-N 1 0 276.380 2.104 20 10 CECDRO CCOc1cccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226154 644858526 /nfs/dbraw/zinc/85/85/26/644858526.db2.gz GARGZGROZNAPFC-CZUORRHYSA-N 1 0 276.380 2.104 20 10 CECDRO CCCN1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000809716504 644940808 /nfs/dbraw/zinc/94/08/08/644940808.db2.gz WCMDQIWYCYUFNU-AWEZNQCLSA-N 1 0 266.360 2.495 20 10 CECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccccc1O ZINC000758739328 644954892 /nfs/dbraw/zinc/95/48/92/644954892.db2.gz UBUXHRCWJCHJCX-AWEZNQCLSA-N 1 0 291.395 2.066 20 10 CECDRO CN(C)c1cc(F)c(CNC2CC[NH+](C)CC2)cc1F ZINC000858090750 645057746 /nfs/dbraw/zinc/05/77/46/645057746.db2.gz SLLJSPLDHCHSGH-UHFFFAOYSA-N 1 0 283.366 2.215 20 10 CECDRO Fc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccn1 ZINC000858121243 645068015 /nfs/dbraw/zinc/06/80/15/645068015.db2.gz ZEIXGCBYSIUCHX-UHFFFAOYSA-N 1 0 258.296 2.445 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C(C)(C)O ZINC000858122630 645068201 /nfs/dbraw/zinc/06/82/01/645068201.db2.gz IBXOBCVCCVQFGP-SECBINFHSA-N 1 0 272.339 2.280 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)CO1 ZINC000858185164 645082529 /nfs/dbraw/zinc/08/25/29/645082529.db2.gz RNRNHHOBHUQEEV-MWLCHTKSSA-N 1 0 270.323 2.298 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCN(C)CC(F)F)cc1 ZINC000858336137 645124258 /nfs/dbraw/zinc/12/42/58/645124258.db2.gz WXFDOQIUUZXQBG-UHFFFAOYSA-N 1 0 271.355 2.039 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccnn2C)c(O)c1C ZINC000858435144 645158832 /nfs/dbraw/zinc/15/88/32/645158832.db2.gz XCFXLWMBDDBVHC-JSGCOSHPSA-N 1 0 289.379 2.127 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1O ZINC000858495179 645180541 /nfs/dbraw/zinc/18/05/41/645180541.db2.gz WVKJTSCSYNDFCO-QXEWZRGKSA-N 1 0 282.771 2.269 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CCOCC1CCC1)OCO2 ZINC000764976012 645716794 /nfs/dbraw/zinc/71/67/94/645716794.db2.gz FGUGTYAOHACZBG-UHFFFAOYSA-N 1 0 279.336 2.027 20 10 CECDRO NC(=O)[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000768139249 646088623 /nfs/dbraw/zinc/08/86/23/646088623.db2.gz YGQBYJSRNNOMDD-OAHLLOKOSA-N 1 0 296.370 2.366 20 10 CECDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000768400980 646119233 /nfs/dbraw/zinc/11/92/33/646119233.db2.gz IONISHODGFYKCB-CYBMUJFWSA-N 1 0 272.396 2.207 20 10 CECDRO CC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768450985 646125462 /nfs/dbraw/zinc/12/54/62/646125462.db2.gz KYMOPICSBJEAQF-FZMZJTMJSA-N 1 0 263.337 2.192 20 10 CECDRO CN(C)c1ccc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000769326190 646245157 /nfs/dbraw/zinc/24/51/57/646245157.db2.gz FPKWQNZMIOVYEV-KRWDZBQOSA-N 1 0 273.424 2.421 20 10 CECDRO COC[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769402127 646261729 /nfs/dbraw/zinc/26/17/29/646261729.db2.gz BGVQWBDAAMRXCY-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO CCN(C(=O)C1=CC(=O)CS1)C1CC[NH+](C)CC1 ZINC000861891373 646294176 /nfs/dbraw/zinc/29/41/76/646294176.db2.gz ZJJBVNNAFSHLMH-UHFFFAOYSA-N 1 0 268.382 2.010 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000770279153 646376100 /nfs/dbraw/zinc/37/61/00/646376100.db2.gz FSCQYMXOFAFAMY-DOMZBBRYSA-N 1 0 295.404 2.107 20 10 CECDRO COC[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862244233 646376286 /nfs/dbraw/zinc/37/62/86/646376286.db2.gz KNPRLVUWEXECAM-LLVKDONJSA-N 1 0 284.350 2.499 20 10 CECDRO C[C@H](O)CC[N@H+](C)Cc1c(O)cccc1Br ZINC000862247534 646379570 /nfs/dbraw/zinc/37/95/70/646379570.db2.gz ZKIATDMXKNCBKB-VIFPVBQESA-N 1 0 288.185 2.357 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000770509517 646400787 /nfs/dbraw/zinc/40/07/87/646400787.db2.gz BYTOOMNYNNCWNA-CYBMUJFWSA-N 1 0 263.337 2.120 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H]2CCO)cc1F ZINC000862333810 646403131 /nfs/dbraw/zinc/40/31/31/646403131.db2.gz WEWDMEHLKWUJLQ-GFCCVEGCSA-N 1 0 284.350 2.378 20 10 CECDRO CN(C)c1cc(F)c(C[N@H+](C)C[C@H](O)C2CC2)cc1F ZINC000862367651 646418357 /nfs/dbraw/zinc/41/83/57/646418357.db2.gz QBQZWOHBKGNLSB-HNNXBMFYSA-N 1 0 284.350 2.234 20 10 CECDRO CC[C@@H](C)[N@H+](CCO)Cc1cc(OC)c(OC)cc1O ZINC000862387161 646431819 /nfs/dbraw/zinc/43/18/19/646431819.db2.gz ICERXPZMFYXSLN-LLVKDONJSA-N 1 0 283.368 2.002 20 10 CECDRO C[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)[C@H]1O ZINC000862414109 646449711 /nfs/dbraw/zinc/44/97/11/646449711.db2.gz MNQNGQCAOWZMIP-CDMJZVDBSA-N 1 0 298.377 2.480 20 10 CECDRO CCn1nncc1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000862434012 646459307 /nfs/dbraw/zinc/45/93/07/646459307.db2.gz OVGROIMKXRAYKB-UHFFFAOYSA-N 1 0 280.759 2.255 20 10 CECDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000862488078 646478015 /nfs/dbraw/zinc/47/80/15/646478015.db2.gz BCJIPWYGARSHBS-CYBMUJFWSA-N 1 0 291.347 2.142 20 10 CECDRO COC[C@]1(C)C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000862552339 646496217 /nfs/dbraw/zinc/49/62/17/646496217.db2.gz WQUOUWKKVZLCTR-KRWDZBQOSA-N 1 0 292.423 2.298 20 10 CECDRO COC[C@@]1(C)C[N@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000862552449 646496633 /nfs/dbraw/zinc/49/66/33/646496633.db2.gz ZAPOIDJRENEUBM-MRXNPFEDSA-N 1 0 279.380 2.246 20 10 CECDRO COCC1(C)CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000773272359 646720942 /nfs/dbraw/zinc/72/09/42/646720942.db2.gz OSODIYMEFQMTEC-UHFFFAOYSA-N 1 0 293.363 2.369 20 10 CECDRO COCC[C@@]1([NH2+]Cc2ccc(N(C)C)cc2)CCOC1 ZINC000775032246 646917854 /nfs/dbraw/zinc/91/78/54/646917854.db2.gz GRAIACUNXUDRRN-MRXNPFEDSA-N 1 0 278.396 2.038 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccccc1O ZINC000775513884 646961415 /nfs/dbraw/zinc/96/14/15/646961415.db2.gz VXLYLEAONOMSOW-CYBMUJFWSA-N 1 0 285.347 2.127 20 10 CECDRO CC[C@@H]([NH2+]CCCOCCO)c1cc(Cl)ccc1O ZINC000775548434 646964502 /nfs/dbraw/zinc/96/45/02/646964502.db2.gz ROZJBPJJMJTZPK-CYBMUJFWSA-N 1 0 287.787 2.485 20 10 CECDRO CC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)cc(C)c1O ZINC000775651918 646976181 /nfs/dbraw/zinc/97/61/81/646976181.db2.gz CFCBQSYWWHCJOT-UHFFFAOYSA-N 1 0 284.787 2.264 20 10 CECDRO Cc1cccc(C[N@H+]2CCC[C@@H](NC(=O)C(C)C)C2)c1O ZINC000775668082 646978126 /nfs/dbraw/zinc/97/81/26/646978126.db2.gz RATCFAPNNIDPAD-OAHLLOKOSA-N 1 0 290.407 2.437 20 10 CECDRO CC(C)OC[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834085 646997863 /nfs/dbraw/zinc/99/78/63/646997863.db2.gz JYAFTWUEWDHDMV-CZUORRHYSA-N 1 0 280.412 2.189 20 10 CECDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000776173869 647031484 /nfs/dbraw/zinc/03/14/84/647031484.db2.gz BXPMDJMVAZCXNZ-BZNIZROVSA-N 1 0 297.395 2.296 20 10 CECDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCN(C)C2)c1O ZINC000776174122 647031744 /nfs/dbraw/zinc/03/17/44/647031744.db2.gz ADOLNMOAFSAPKQ-LBPRGKRZSA-N 1 0 299.212 2.257 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)COC)c1 ZINC000120196637 647087118 /nfs/dbraw/zinc/08/71/18/647087118.db2.gz DFIVYQICUKIKEO-LBPRGKRZSA-N 1 0 253.342 2.306 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCn2cncn2)cc1 ZINC000776975262 647100911 /nfs/dbraw/zinc/10/09/11/647100911.db2.gz OZNKDSWSSMWTQM-AWEZNQCLSA-N 1 0 287.411 2.475 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCn3ccnc3C2)c1O ZINC000778187009 647207116 /nfs/dbraw/zinc/20/71/16/647207116.db2.gz CGKYHGRJGUJCDR-ZDUSSCGKSA-N 1 0 287.363 2.092 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CCCO ZINC000779066237 647284755 /nfs/dbraw/zinc/28/47/55/647284755.db2.gz UKVSUKYAAJLFRY-ZDUSSCGKSA-N 1 0 250.386 2.312 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@H](O)C(F)F)cc1 ZINC000865688220 647423185 /nfs/dbraw/zinc/42/31/85/647423185.db2.gz VQLAWFKOZNRHJL-XGACYXMMSA-N 1 0 284.350 2.372 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000865693267 647427067 /nfs/dbraw/zinc/42/70/67/647427067.db2.gz OQIZLBSJUPDBQD-IVZDACBASA-N 1 0 289.375 2.304 20 10 CECDRO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000865700003 647430225 /nfs/dbraw/zinc/43/02/25/647430225.db2.gz PTHYDYMZTMMJHK-VXGBXAGGSA-N 1 0 293.363 2.150 20 10 CECDRO CCOC(C)(C)C[NH2+]Cc1c(O)cccc1OC ZINC000780583327 647447995 /nfs/dbraw/zinc/44/79/95/647447995.db2.gz MMNNLYJWTRNQHU-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccccc1O ZINC000783499803 647721779 /nfs/dbraw/zinc/72/17/79/647721779.db2.gz BKOKWBNETYBYQV-GFCCVEGCSA-N 1 0 285.347 2.467 20 10 CECDRO C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)c2c1c(F)ccc2O ZINC000866415919 647779540 /nfs/dbraw/zinc/77/95/40/647779540.db2.gz IKSAVTGBIUBVEL-GUDRVLHUSA-N 1 0 265.328 2.440 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000866445502 647789880 /nfs/dbraw/zinc/78/98/80/647789880.db2.gz PTVGPDRAZDDLDJ-ZRKHILAZSA-N 1 0 289.375 2.475 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H](O)COCC(C)C)c1ccccc1O ZINC000121081858 647808002 /nfs/dbraw/zinc/80/80/02/647808002.db2.gz MWXAUFZKUTZGTH-UKRRQHHQSA-N 1 0 281.396 2.466 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000866676006 647864849 /nfs/dbraw/zinc/86/48/49/647864849.db2.gz VQMPLMXTCTUQSV-BXKDBHETSA-N 1 0 296.798 2.275 20 10 CECDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868217804 648074461 /nfs/dbraw/zinc/07/44/61/648074461.db2.gz YFVDKWFDSFCJHJ-OLZOCXBDSA-N 1 0 293.411 2.483 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)[C@H]1C ZINC000787237368 648089493 /nfs/dbraw/zinc/08/94/93/648089493.db2.gz FURWTULQBKIRED-GXTWGEPZSA-N 1 0 277.364 2.392 20 10 CECDRO CCC[N@H+](CC)CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868381922 648113607 /nfs/dbraw/zinc/11/36/07/648113607.db2.gz YNLZZUHWUHIWJP-CYBMUJFWSA-N 1 0 293.411 2.484 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCO[C@@H]2C)c2c1c(F)ccc2O ZINC000788623260 648208830 /nfs/dbraw/zinc/20/88/30/648208830.db2.gz KNKPCVNYBWEDPA-CDGODJOISA-N 1 0 295.354 2.209 20 10 CECDRO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000868784584 648263940 /nfs/dbraw/zinc/26/39/40/648263940.db2.gz QDHOPNGUMIRSFP-CHWSQXEVSA-N 1 0 291.395 2.237 20 10 CECDRO CCOc1ccc(C[NH2+]C2(COC)CCC2)c(O)c1 ZINC000790653079 648438722 /nfs/dbraw/zinc/43/87/22/648438722.db2.gz YMEMTAONQQBOBM-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO COCCC1([NH2+]Cc2cccc(OC)c2O)CCC1 ZINC000793329559 648744126 /nfs/dbraw/zinc/74/41/26/648744126.db2.gz MONCATSLJXTKNS-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1ccc(C[NH2+]Cc2nc(C)ccc2O)c(O)c1 ZINC000793388749 648749266 /nfs/dbraw/zinc/74/92/66/648749266.db2.gz ILJYWPWVZIJTCU-UHFFFAOYSA-N 1 0 274.320 2.100 20 10 CECDRO CO[C@@]1(C[NH2+][C@@H](C)c2cc(C)ccc2O)CCOC1 ZINC000123156440 648825755 /nfs/dbraw/zinc/82/57/55/648825755.db2.gz ONORRWYVXNLKIO-SWLSCSKDSA-N 1 0 265.353 2.157 20 10 CECDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000870993755 648972601 /nfs/dbraw/zinc/97/26/01/648972601.db2.gz LZVONYNEBSILKT-QGZVFWFLSA-N 1 0 289.423 2.035 20 10 CECDRO C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)c2c1c(F)ccc2O ZINC000872127363 649285383 /nfs/dbraw/zinc/28/53/83/649285383.db2.gz VHCGOZYDJTZSCO-GMOBBJLQSA-N 1 0 265.328 2.440 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CC[NH+](C)CC2)cc1 ZINC000019362636 649307246 /nfs/dbraw/zinc/30/72/46/649307246.db2.gz QBWFDYRGVGRWMZ-PLNGDYQASA-N 1 0 259.397 2.013 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872256199 649329578 /nfs/dbraw/zinc/32/95/78/649329578.db2.gz QLWXRPOYHBKMOU-CYBMUJFWSA-N 1 0 287.306 2.257 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCN(C)c3ncccc3C2)c1 ZINC000872267562 649335638 /nfs/dbraw/zinc/33/56/38/649335638.db2.gz VWRXTGOXJOJIGY-UHFFFAOYSA-N 1 0 299.374 2.248 20 10 CECDRO CCCOc1ccc(C[NH2+]CCc2nnc[nH]2)cc1C ZINC000873073325 649551518 /nfs/dbraw/zinc/55/15/18/649551518.db2.gz QPLLQCCCOBEUQN-UHFFFAOYSA-N 1 0 274.368 2.234 20 10 CECDRO C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)C[C@H]1C[NH3+] ZINC000873215371 649593067 /nfs/dbraw/zinc/59/30/67/649593067.db2.gz DJBAFCZOIGBYPH-RKDXNWHRSA-N 1 0 272.751 2.211 20 10 CECDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NCC(F)(F)F ZINC000879649285 651335241 /nfs/dbraw/zinc/33/52/41/651335241.db2.gz PFPFIZLKWUJDDJ-RKDXNWHRSA-N 1 0 290.285 2.110 20 10 CECDRO C[C@H]([NH2+]CCC(=O)N1CCC[C@H]1C)c1ccccc1O ZINC000879651187 651335612 /nfs/dbraw/zinc/33/56/12/651335612.db2.gz LRBDUODBTUNGSJ-OLZOCXBDSA-N 1 0 276.380 2.444 20 10 CECDRO C[C@H]([NH2+]CCCc1cncn1C)c1ccccc1O ZINC000879650364 651335642 /nfs/dbraw/zinc/33/56/42/651335642.db2.gz XBWNKWZCGWPVLS-LBPRGKRZSA-N 1 0 259.353 2.409 20 10 CECDRO C[C@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccccc1O ZINC000879651259 651335757 /nfs/dbraw/zinc/33/57/57/651335757.db2.gz PAWXIJJDTKIVSM-JTQLQIEISA-N 1 0 291.376 2.162 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C)cc1 ZINC000880137161 651389362 /nfs/dbraw/zinc/38/93/62/651389362.db2.gz YZSXKGMMSLKUFS-DLBZAZTESA-N 1 0 273.424 2.421 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000128879611 651628784 /nfs/dbraw/zinc/62/87/84/651628784.db2.gz WLMKLVFPFPLWHL-ZDUSSCGKSA-N 1 0 276.380 2.130 20 10 CECDRO C[C@H](CC[NH2+]Cc1c(O)cccc1Cl)[S@@](C)=O ZINC000129391816 651937316 /nfs/dbraw/zinc/93/73/16/651937316.db2.gz RDJFLVPVJHTQEE-XLFHBGCDSA-N 1 0 275.801 2.292 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)C2CC2)c(Cl)c1 ZINC000883002824 652317040 /nfs/dbraw/zinc/31/70/40/652317040.db2.gz PMMKZXDZYQULGB-LBPRGKRZSA-N 1 0 255.745 2.215 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCN(C)OC)cc1F ZINC000883172030 652388329 /nfs/dbraw/zinc/38/83/29/652388329.db2.gz RFCYPBBRSGPOGY-UHFFFAOYSA-N 1 0 283.391 2.255 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H](CO)CCC(C)C ZINC000883187877 652393851 /nfs/dbraw/zinc/39/38/51/652393851.db2.gz YLMBTLITJVRRSH-GFCCVEGCSA-N 1 0 267.369 2.288 20 10 CECDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000883356237 652440665 /nfs/dbraw/zinc/44/06/65/652440665.db2.gz JMKAFULHWWNWHH-VXGBXAGGSA-N 1 0 264.369 2.146 20 10 CECDRO COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)C(F)F)c1 ZINC000883399716 652455885 /nfs/dbraw/zinc/45/58/85/652455885.db2.gz UCQYXFXGZYOEAO-JGVFFNPUSA-N 1 0 273.279 2.483 20 10 CECDRO COc1cccc(CN2CCC([NH2+]CC3CC3)CC2)c1O ZINC000133623046 652693666 /nfs/dbraw/zinc/69/36/66/652693666.db2.gz BNCNLXWZKBGQBF-UHFFFAOYSA-N 1 0 290.407 2.365 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C(C)(C)CO)c1O ZINC000135821252 652993682 /nfs/dbraw/zinc/99/36/82/652993682.db2.gz WVQWXDXEYBHIML-UHFFFAOYSA-N 1 0 285.771 2.451 20 10 CECDRO COc1ccc(N2CC[NH+]([C@@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC001168101871 806164851 /nfs/dbraw/zinc/16/48/51/806164851.db2.gz BJSZUWGILIISLK-GOEBONIOSA-N 1 0 290.407 2.385 20 10 CECDRO OCC[N@@H+](Cc1ccc(N2CCCC2)cc1)CC1CC1 ZINC001117628385 814932760 /nfs/dbraw/zinc/93/27/60/814932760.db2.gz GBXBRUIOJHWAOH-UHFFFAOYSA-N 1 0 274.408 2.491 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CCCC2OCCO2)cc1 ZINC001209310522 802496502 /nfs/dbraw/zinc/49/65/02/802496502.db2.gz PIHJIRSBUOEWJI-UHFFFAOYSA-N 1 0 278.396 2.338 20 10 CECDRO [O-]c1c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc(F)c1F ZINC000703346878 809643541 /nfs/dbraw/zinc/64/35/41/809643541.db2.gz FQEANLVIZGDLPI-SNVBAGLBSA-N 1 0 282.334 2.244 20 10 CECDRO CN1C[C@H](CC[NH2+]Cc2c(O)cccc2Cl)CC1=O ZINC000723595381 802898274 /nfs/dbraw/zinc/89/82/74/802898274.db2.gz XUTSEVBGYOAWKM-SNVBAGLBSA-N 1 0 282.771 2.004 20 10 CECDRO CN1C[C@@H](CC[NH2+]Cc2c(O)cccc2Cl)CC1=O ZINC000723595379 802898390 /nfs/dbraw/zinc/89/83/90/802898390.db2.gz XUTSEVBGYOAWKM-JTQLQIEISA-N 1 0 282.771 2.004 20 10 CECDRO C[NH+](C)[C@H]1CCN(Cc2ccc(Cl)cc2O)C1 ZINC001140461241 802933392 /nfs/dbraw/zinc/93/33/92/802933392.db2.gz HWBYRWCPUZDQJN-LBPRGKRZSA-N 1 0 254.761 2.182 20 10 CECDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1ccc(Cl)cc1O)C2 ZINC001140464353 802944078 /nfs/dbraw/zinc/94/40/78/802944078.db2.gz MMAJAVIDUGCWOH-IUODEOHRSA-N 1 0 280.799 2.429 20 10 CECDRO FC1(F)C[C@@H]1OCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000690724979 803029199 /nfs/dbraw/zinc/02/91/99/803029199.db2.gz JLQFAAGWZVYCGF-ZDUSSCGKSA-N 1 0 269.291 2.135 20 10 CECDRO CCOc1cccc(C[NH2+]CCO[C@H]2CC2(F)F)c1O ZINC000690732136 803079592 /nfs/dbraw/zinc/07/95/92/803079592.db2.gz PQUIDGJHXFAGDY-LBPRGKRZSA-N 1 0 287.306 2.305 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c(O)c1 ZINC000724604303 803193683 /nfs/dbraw/zinc/19/36/83/803193683.db2.gz OBEDGZXCYNKNIH-FOCJUVANSA-N 1 0 277.364 2.155 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(CF)CC2)c1 ZINC001140617113 803241013 /nfs/dbraw/zinc/24/10/13/803241013.db2.gz FQZCBVUSHITXOP-HNNXBMFYSA-N 1 0 267.344 2.387 20 10 CECDRO C[C@H]([NH2+][C@H]1CCNC1=O)c1ccc2ccccc2c1O ZINC000693853275 803368416 /nfs/dbraw/zinc/36/84/16/803368416.db2.gz WRAKAHLWRRUQOP-HZMBPMFUSA-N 1 0 270.332 2.085 20 10 CECDRO COC[C@H](CC[NH2+]Cc1ccc(OC)c(C)c1)OC ZINC000694308746 803530050 /nfs/dbraw/zinc/53/00/50/803530050.db2.gz JFKXNNXVQXBDCJ-AWEZNQCLSA-N 1 0 267.369 2.145 20 10 CECDRO Cc1ccc(C[NH+]2CCN(c3nccc(C)n3)CC2)c(O)c1 ZINC001140954738 803627993 /nfs/dbraw/zinc/62/79/93/803627993.db2.gz XOCPYMUFRFZGQC-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)NCCCC[NH3+] ZINC001117966328 814970902 /nfs/dbraw/zinc/97/09/02/814970902.db2.gz FRWZQYVUMBJDRU-UHFFFAOYSA-N 1 0 293.411 2.443 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC001118055568 814981335 /nfs/dbraw/zinc/98/13/35/814981335.db2.gz UOTHJSZJPQKALR-HNNXBMFYSA-N 1 0 263.337 2.156 20 10 CECDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092705086 804703821 /nfs/dbraw/zinc/70/38/21/804703821.db2.gz WOEQDWHRZIFVDR-OAHLLOKOSA-N 1 0 289.423 2.243 20 10 CECDRO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000037317962 815138267 /nfs/dbraw/zinc/13/82/67/815138267.db2.gz AQECYWBDUUVLBC-ZDUSSCGKSA-N 1 0 289.423 2.414 20 10 CECDRO COc1ccc(C[NH2+]CC[C@@H](O)C(F)F)cc1C ZINC000716774494 815146749 /nfs/dbraw/zinc/14/67/49/815146749.db2.gz LYOBIEXERIIPIS-LLVKDONJSA-N 1 0 259.296 2.109 20 10 CECDRO C[N@H+](CCO)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001236259391 808032303 /nfs/dbraw/zinc/03/23/03/808032303.db2.gz VYIBIINKFMDANJ-UHFFFAOYSA-N 1 0 263.337 2.001 20 10 CECDRO Oc1cc(Cl)c(Cl)cc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236300219 808061204 /nfs/dbraw/zinc/06/12/04/808061204.db2.gz ZUHLCMMLHHZHEO-LDYMZIIASA-N 1 0 273.163 2.103 20 10 CECDRO COc1ccc(C[NH2+]CCc2ccncc2)c(O)c1OC ZINC001119954098 815176151 /nfs/dbraw/zinc/17/61/51/815176151.db2.gz VVYUMBCMGGNGNV-UHFFFAOYSA-N 1 0 288.347 2.137 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186223600 808697009 /nfs/dbraw/zinc/69/70/09/808697009.db2.gz JUCZDWFYCRSGJI-LLVKDONJSA-N 1 0 264.369 2.123 20 10 CECDRO COCC[N@@H+](Cc1cc2c(cc1O)OCO2)CC(C)C ZINC000073585867 808735562 /nfs/dbraw/zinc/73/55/62/808735562.db2.gz RWHKMVLOCNABGP-UHFFFAOYSA-N 1 0 281.352 2.225 20 10 CECDRO FC1(F)CC([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000700110372 809276820 /nfs/dbraw/zinc/27/68/20/809276820.db2.gz ZKTCDJJFWCBJJL-UHFFFAOYSA-N 1 0 282.334 2.411 20 10 CECDRO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccccc2O)CO1 ZINC000703372790 809646290 /nfs/dbraw/zinc/64/62/90/809646290.db2.gz KYGZQVSYEVTOMB-LBPRGKRZSA-N 1 0 294.351 2.033 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206157429 815312885 /nfs/dbraw/zinc/31/28/85/815312885.db2.gz YPFCEPUCAVHXBT-GJZGRUSLSA-N 1 0 265.376 2.014 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2CC(O)C2)c1 ZINC000705245407 809776814 /nfs/dbraw/zinc/77/68/14/809776814.db2.gz OGLURPBRWTUFOI-VOMCLLRMSA-N 1 0 265.353 2.212 20 10 CECDRO CCOC[C@@H]1C[N@H+](Cc2cccc(CC)c2O)CCO1 ZINC000706615212 809841925 /nfs/dbraw/zinc/84/19/25/809841925.db2.gz PACYIOFZSWYGGH-HNNXBMFYSA-N 1 0 279.380 2.192 20 10 CECDRO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000708678821 809933111 /nfs/dbraw/zinc/93/31/11/809933111.db2.gz BOVLLJOATXZOBR-SWLSCSKDSA-N 1 0 275.396 2.024 20 10 CECDRO C[NH+]1CCC(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708495435 809944364 /nfs/dbraw/zinc/94/43/64/809944364.db2.gz BAABHNJHGNXGKZ-UHFFFAOYSA-N 1 0 270.323 2.102 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH3+])C2)c2ccc(C)nc12 ZINC001164281690 810338739 /nfs/dbraw/zinc/33/87/39/810338739.db2.gz KJVRBOXIWKKGJJ-LLVKDONJSA-N 1 0 257.337 2.089 20 10 CECDRO CC[C@@H](C)OCC[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172318214 815369605 /nfs/dbraw/zinc/36/96/05/815369605.db2.gz IACTWOUZRHVTEB-OZVIIMIRSA-N 1 0 297.395 2.315 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001122026730 815378707 /nfs/dbraw/zinc/37/87/07/815378707.db2.gz DLKNCTRPRPKJMR-QKCSRTOESA-N 1 0 292.379 2.096 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2OC)c1 ZINC000278843551 810708257 /nfs/dbraw/zinc/70/82/57/810708257.db2.gz ZYGUXXDUWJUNKA-UKRRQHHQSA-N 1 0 265.353 2.448 20 10 CECDRO CN1CCC12C[NH+](Cc1ccc3ccccc3c1O)C2 ZINC001276374013 810762117 /nfs/dbraw/zinc/76/21/17/810762117.db2.gz OOCSGFUGHDRIHA-UHFFFAOYSA-N 1 0 268.360 2.435 20 10 CECDRO C[C@@H](CC(=O)NCc1c(O)cccc1F)[C@@H]1CCC[NH2+]C1 ZINC001122258019 815397371 /nfs/dbraw/zinc/39/73/71/815397371.db2.gz HXLJJWYWAKQJIB-NWDGAFQWSA-N 1 0 294.370 2.173 20 10 CECDRO CC(C)C[C@@H](C(=O)NCc1ccc(N)cc1)n1ccnc1 ZINC001122445430 815412687 /nfs/dbraw/zinc/41/26/87/815412687.db2.gz RTFDJSXNORLCEX-HNNXBMFYSA-N 1 0 286.379 2.369 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1O ZINC000724586236 811046642 /nfs/dbraw/zinc/04/66/42/811046642.db2.gz NCWQKSDOBKIQFW-DSPQJCBJSA-N 1 0 277.364 2.237 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1O ZINC001168982087 811310215 /nfs/dbraw/zinc/31/02/15/811310215.db2.gz IKVJRLGUQSKPPG-UTUOFQBUSA-N 1 0 264.325 2.488 20 10 CECDRO Oc1cccc2c1C[N@@H+]([C@H]1CCCC3(C1)OCCO3)CC2 ZINC001169957237 811727131 /nfs/dbraw/zinc/72/71/31/811727131.db2.gz DMUNOLWXSSJAAH-AWEZNQCLSA-N 1 0 289.375 2.436 20 10 CECDRO Cn1nccc1C[NH2+]Cc1ccc(Br)cc1O ZINC000691470934 811900363 /nfs/dbraw/zinc/90/03/63/811900363.db2.gz ZYYDCRCWBKSGEB-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)CC[NH+](C)C)c1O ZINC000691484844 811951609 /nfs/dbraw/zinc/95/16/09/811951609.db2.gz WSPBMHUERGCMJG-GFCCVEGCSA-N 1 0 250.386 2.384 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)CC[S@](C)=O)c1O ZINC000691499885 811958894 /nfs/dbraw/zinc/95/88/94/811958894.db2.gz JQYOKBSQRSUODL-ZMZPIMSZSA-N 1 0 269.410 2.201 20 10 CECDRO CC[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2O)CCO1 ZINC001170180835 812327764 /nfs/dbraw/zinc/32/77/64/812327764.db2.gz CLGSLLDRQPMOGT-NEPJUHHUSA-N 1 0 251.326 2.145 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(C)=O)cc1C ZINC001133431900 813055978 /nfs/dbraw/zinc/05/59/78/813055978.db2.gz LQTHRYNXIAOGRY-QWHCGFSZSA-N 1 0 278.396 2.396 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C2COCCOC2)cc1 ZINC000383399371 813099433 /nfs/dbraw/zinc/09/94/33/813099433.db2.gz XBMJJQVDENGOSA-UHFFFAOYSA-N 1 0 278.396 2.038 20 10 CECDRO Oc1cc2c(cc1O)C[N@@H+]([C@@H]1CCCOCC1)CCC2 ZINC001170833500 813486694 /nfs/dbraw/zinc/48/66/94/813486694.db2.gz IPBRKZURSNJIPX-CQSZACIVSA-N 1 0 277.364 2.415 20 10 CECDRO CN(C)c1ccc(CNC(=O)C2([NH+](C)C)CCCC2)cc1 ZINC001135825417 813533875 /nfs/dbraw/zinc/53/38/75/813533875.db2.gz SKNRWMNFWMXPLU-UHFFFAOYSA-N 1 0 289.423 2.243 20 10 CECDRO COCCCC[N@H+](C)Cc1cccc(OC)c1O ZINC000397090713 813598302 /nfs/dbraw/zinc/59/83/02/813598302.db2.gz ABWINXNSDUONID-UHFFFAOYSA-N 1 0 253.342 2.259 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CSC[C@@H]2C)c(O)c1 ZINC000397913094 813645424 /nfs/dbraw/zinc/64/54/24/813645424.db2.gz ZEJUJFLNBOYMCW-JOYOIKCWSA-N 1 0 253.367 2.242 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CS[C@@H](C)C2)c1O ZINC000397976655 813649737 /nfs/dbraw/zinc/64/97/37/813649737.db2.gz PIJHWWZXFHOLGM-GXSJLCMTSA-N 1 0 253.367 2.384 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CS[C@H](C)C2)c(O)c1 ZINC000397975955 813650168 /nfs/dbraw/zinc/65/01/68/813650168.db2.gz OSLICDPMZHBWNY-KOLCDFICSA-N 1 0 253.367 2.384 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c1O ZINC000398072107 813654917 /nfs/dbraw/zinc/65/49/17/813654917.db2.gz AHCCKYQYRVNMKM-DGCLKSJQSA-N 1 0 265.353 2.448 20 10 CECDRO CC[C@@H]1CN(CC)CC[N@@H+]1Cc1cccc(OC)c1O ZINC000825004927 813807449 /nfs/dbraw/zinc/80/74/49/813807449.db2.gz AGWUGLSLCMXCMC-CQSZACIVSA-N 1 0 278.396 2.317 20 10 CECDRO COc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)nc1 ZINC001144433710 814066937 /nfs/dbraw/zinc/06/69/37/814066937.db2.gz OYNKDFAYCVHZKL-UHFFFAOYSA-N 1 0 270.332 2.354 20 10 CECDRO C[N@H+](Cc1cnc2ccccn12)Cc1c(O)cc(O)cc1O ZINC001144504352 814092775 /nfs/dbraw/zinc/09/27/75/814092775.db2.gz QJJZYGAGRYVTKU-UHFFFAOYSA-N 1 0 299.330 2.083 20 10 CECDRO COCC[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144508985 814096893 /nfs/dbraw/zinc/09/68/93/814096893.db2.gz GKCLLFLIWRKUOG-NSHDSACASA-N 1 0 281.352 2.194 20 10 CECDRO Oc1cc(O)c(C[NH+]2CCC3(CCOCC3)CC2)c(O)c1 ZINC001144514700 814097614 /nfs/dbraw/zinc/09/76/14/814097614.db2.gz PAPIJUUJXCBTSQ-UHFFFAOYSA-N 1 0 293.363 2.196 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCc3cccc(O)c3C2)c(O)c1 ZINC001144514995 814097896 /nfs/dbraw/zinc/09/78/96/814097896.db2.gz ALFSCIVCWYNDPP-UHFFFAOYSA-N 1 0 287.315 2.067 20 10 CECDRO Cc1ccc(C[N@@H+](C)Cc2c(O)cc(O)cc2O)cn1 ZINC001144515625 814100556 /nfs/dbraw/zinc/10/05/56/814100556.db2.gz CSQSBSZZUCGXFT-UHFFFAOYSA-N 1 0 274.320 2.139 20 10 CECDRO Cc1cc(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)ccc1N(C)C ZINC001139669566 815619079 /nfs/dbraw/zinc/61/90/79/815619079.db2.gz AZJFOSJCMVXXBS-LSDHHAIUSA-N 1 0 280.387 2.213 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)CN2CCCC2=O)c1O ZINC000691446975 814595268 /nfs/dbraw/zinc/59/52/68/814595268.db2.gz OLCBIUHYUUZEGJ-LBPRGKRZSA-N 1 0 276.380 2.055 20 10 CECDRO COc1ccc(O)c(CN2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000712661934 814758684 /nfs/dbraw/zinc/75/86/84/814758684.db2.gz CAMRLMMUHLCKOB-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCN2C)cc1 ZINC000712567652 814767116 /nfs/dbraw/zinc/76/71/16/814767116.db2.gz ZEJCREWOJAJPST-MRXNPFEDSA-N 1 0 261.413 2.327 20 10 CECDRO CC[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccccc1O ZINC000714353741 814898076 /nfs/dbraw/zinc/89/80/76/814898076.db2.gz ZRIJVKSYMFAOPL-TZMCWYRMSA-N 1 0 297.420 2.400 20 10 CECDRO COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)c(O)c1 ZINC001249173002 815712526 /nfs/dbraw/zinc/71/25/26/815712526.db2.gz PKBYEPRXWDKYIO-LBPRGKRZSA-N 1 0 277.364 2.482 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])CC[C@@H]1O ZINC001138122683 815730627 /nfs/dbraw/zinc/73/06/27/815730627.db2.gz UVHBKJOAHZGTKT-GWCFXTLKSA-N 1 0 253.317 2.124 20 10 CECDRO CCC[NH+]1C[C@H]2C[NH+](Cc3cccc(F)c3[O-])C[C@@H]2C1 ZINC001138131035 815736593 /nfs/dbraw/zinc/73/65/93/815736593.db2.gz NRQPEMYSEBPJMV-KBPBESRZSA-N 1 0 278.371 2.305 20 10 CECDRO CNC(=O)C1CC[NH+](Cc2c(C)n(C)c3ccccc23)CC1 ZINC001138252843 815754590 /nfs/dbraw/zinc/75/45/90/815754590.db2.gz WMPOTWXLGSIMCH-UHFFFAOYSA-N 1 0 299.418 2.445 20 10 CECDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(C)n(C)c4ccccc34)C[C@@H]21 ZINC001138258058 815756180 /nfs/dbraw/zinc/75/61/80/815756180.db2.gz JRKAGVZCSWRJSQ-QLPKVWCKSA-N 1 0 298.386 2.338 20 10 CECDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354515 815773049 /nfs/dbraw/zinc/77/30/49/815773049.db2.gz MDCPJKQOWBDBGM-IUODEOHRSA-N 1 0 260.381 2.024 20 10 CECDRO CN1CCCc2cc(CN3CC[NH+]4CCC3CC4)ccc21 ZINC001138357000 815774155 /nfs/dbraw/zinc/77/41/55/815774155.db2.gz XSNZWIRMGLPQJJ-UHFFFAOYSA-N 1 0 285.435 2.349 20 10 CECDRO CN1CCCc2cc(CN3CC[N@@H+]4CCC[C@H]4C3)ccc21 ZINC001138357783 815774568 /nfs/dbraw/zinc/77/45/68/815774568.db2.gz KENRIQCMGYDJSF-KRWDZBQOSA-N 1 0 285.435 2.349 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CC[C@@H](O)[C@@H](F)CC3)ccc21 ZINC001138354979 815774684 /nfs/dbraw/zinc/77/46/84/815774684.db2.gz XLFJTAWNWAWRNN-DOTOQJQBSA-N 1 0 292.398 2.364 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CC[C@@](C)(CO)C3)ccc21 ZINC001138355003 815775285 /nfs/dbraw/zinc/77/52/85/815775285.db2.gz YEYPZQCUZGQVKD-QGZVFWFLSA-N 1 0 274.408 2.273 20 10 CECDRO Cc1cc(Br)cc(CN2CC(C)(C[NH3+])C2)c1O ZINC001206729737 815929999 /nfs/dbraw/zinc/92/99/99/815929999.db2.gz IXPRTQJNWXMSDH-UHFFFAOYSA-N 1 0 299.212 2.244 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001140054964 816176965 /nfs/dbraw/zinc/17/69/65/816176965.db2.gz BMXQOGLSENEVRG-AWEZNQCLSA-N 1 0 251.301 2.286 20 10 CECDRO Oc1ccc(F)cc1CN1CC([NH+]2CCC(F)CC2)C1 ZINC001140055136 816178815 /nfs/dbraw/zinc/17/88/15/816178815.db2.gz KZXRWCUZLOTNBG-UHFFFAOYSA-N 1 0 282.334 2.149 20 10 CECDRO Oc1ccc(F)cc1CN1CC([NH+]2CCCCC2)C1 ZINC001140058827 816180408 /nfs/dbraw/zinc/18/04/08/816180408.db2.gz NIONZKRZKNAXBA-UHFFFAOYSA-N 1 0 264.344 2.201 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)c1O ZINC001140181183 816206333 /nfs/dbraw/zinc/20/63/33/816206333.db2.gz PFPGBGIDSHAROP-QGZVFWFLSA-N 1 0 288.391 2.111 20 10 CECDRO COc1ccc(N2CC[NH+](Cc3ccncc3O)CC2)cc1 ZINC001140275063 816222026 /nfs/dbraw/zinc/22/20/26/816222026.db2.gz KJAADQOSJKXYGE-UHFFFAOYSA-N 1 0 299.374 2.118 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001140463271 816259431 /nfs/dbraw/zinc/25/94/31/816259431.db2.gz YKGGTFFCYJEWRG-NOZJJQNGSA-N 1 0 255.745 2.248 20 10 CECDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140462260 816260996 /nfs/dbraw/zinc/26/09/96/816260996.db2.gz CKDJJCNZDWEDAG-CABZTGNLSA-N 1 0 255.745 2.391 20 10 CECDRO CCOC(=O)CC[N@H+](C)Cc1cc(C)ccc1O ZINC001140622725 816305773 /nfs/dbraw/zinc/30/57/73/816305773.db2.gz DKMOYNNPNOUQPM-UHFFFAOYSA-N 1 0 251.326 2.086 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140622718 816306730 /nfs/dbraw/zinc/30/67/30/816306730.db2.gz DDDSYZSKJDJSOE-ZDUSSCGKSA-N 1 0 277.364 2.476 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCCC[C@](O)(CF)C2)c1O ZINC001140741690 816338449 /nfs/dbraw/zinc/33/84/49/816338449.db2.gz AQQCVZQDOVIYEP-HNNXBMFYSA-N 1 0 283.343 2.093 20 10 CECDRO Cc1c(O)ccc(C[N@H+]2CCN(C)c3ncccc3C2)c1O ZINC001140747922 816341377 /nfs/dbraw/zinc/34/13/77/816341377.db2.gz DETSQOXPRNVBNZ-UHFFFAOYSA-N 1 0 299.374 2.253 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)[C@H]1C ZINC001140749229 816343455 /nfs/dbraw/zinc/34/34/55/816343455.db2.gz SFZVWPRSADQXAI-AAEUAGOBSA-N 1 0 293.363 2.180 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c(O)c1 ZINC001140850068 816382483 /nfs/dbraw/zinc/38/24/83/816382483.db2.gz CHQZWSWLAALAJP-GDBMZVCRSA-N 1 0 296.386 2.143 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(O)c1 ZINC001140851508 816383706 /nfs/dbraw/zinc/38/37/06/816383706.db2.gz KELYSOARBMPCLK-CQSZACIVSA-N 1 0 292.423 2.443 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c(O)c1 ZINC001140949902 816421794 /nfs/dbraw/zinc/42/17/94/816421794.db2.gz JNTBGZAHPPVPMF-QGZVFWFLSA-N 1 0 288.391 2.335 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c(O)c1 ZINC001140949901 816422638 /nfs/dbraw/zinc/42/26/38/816422638.db2.gz JNTBGZAHPPVPMF-KRWDZBQOSA-N 1 0 288.391 2.335 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)[C@@H]1C ZINC001140950733 816424179 /nfs/dbraw/zinc/42/41/79/816424179.db2.gz GAEMKPYIYXFUBJ-OCCSQVGLSA-N 1 0 277.364 2.474 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(OC)c1 ZINC001141026521 816448465 /nfs/dbraw/zinc/44/84/65/816448465.db2.gz UDDUNDFHLJYSPJ-MRXNPFEDSA-N 1 0 293.363 2.022 20 10 CECDRO OC[C@H]1CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141076252 816472091 /nfs/dbraw/zinc/47/20/91/816472091.db2.gz OMOKZRBLYKWHRA-AWEZNQCLSA-N 1 0 286.419 2.200 20 10 CECDRO c1c(CN2CCC23COC3)cc2c3c1CCCN3CCC2 ZINC001141076200 816472148 /nfs/dbraw/zinc/47/21/48/816472148.db2.gz MKXMZIIPZCZFHY-UHFFFAOYSA-N 1 0 284.403 2.360 20 10 CECDRO CN(CC[NH+]1CCCC1)Cc1ccc2c(c1)OCCN2C ZINC001141144235 816485631 /nfs/dbraw/zinc/48/56/31/816485631.db2.gz WPUSEAAZWJBOLI-UHFFFAOYSA-N 1 0 289.423 2.043 20 10 CECDRO COCC[N@H+](Cc1ccc2c(c1)OCCN2C)C(C)C ZINC001141143217 816485862 /nfs/dbraw/zinc/48/58/62/816485862.db2.gz PJROKDKPPQSLRZ-UHFFFAOYSA-N 1 0 278.396 2.372 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H](CCO)C3)ccc21 ZINC001141143518 816485919 /nfs/dbraw/zinc/48/59/19/816485919.db2.gz CBJSXTJRTCAECQ-AWEZNQCLSA-N 1 0 290.407 2.110 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CC(F)(F)CO3)c1 ZINC001141160597 816492448 /nfs/dbraw/zinc/49/24/48/816492448.db2.gz FNFKNOMFQMXSEU-CYBMUJFWSA-N 1 0 285.290 2.098 20 10 CECDRO COC(=O)[C@@H]1CCN1Cc1cccc(C(C)(C)C)c1O ZINC001143104733 816785666 /nfs/dbraw/zinc/78/56/66/816785666.db2.gz YSCVJAAVBBWRNB-ZDUSSCGKSA-N 1 0 277.364 2.437 20 10 CECDRO C[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccccc1O ZINC001179493423 816869585 /nfs/dbraw/zinc/86/95/85/816869585.db2.gz ADLFCXQTUBFSSL-VIFPVBQESA-N 1 0 276.361 2.403 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CCCN(C(=O)C(C)C)CC2)c1 ZINC000123608038 365640023 /nfs/dbraw/zinc/64/00/23/365640023.db2.gz VAPKYJMFRQLFLZ-UHFFFAOYSA-N 1 0 290.407 2.391 20 10 CECDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123824087 365641788 /nfs/dbraw/zinc/64/17/88/365641788.db2.gz DEMNDPXRTMELBA-WMLDXEAASA-N 1 0 292.423 2.191 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCCNC2=O)c(O)c1 ZINC000036976449 361877643 /nfs/dbraw/zinc/87/76/43/361877643.db2.gz XMCIWYWKZKFTSP-WCQYABFASA-N 1 0 262.353 2.020 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000091898570 344173532 /nfs/dbraw/zinc/17/35/32/344173532.db2.gz GOKUTTBQEJZCTI-HOCLYGCPSA-N 1 0 262.397 2.345 20 10 CECDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000092971145 344209035 /nfs/dbraw/zinc/20/90/35/344209035.db2.gz QXEVBMPBHNAJEH-CZUORRHYSA-N 1 0 262.397 2.488 20 10 CECDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)[C@H]1C ZINC000280901013 344674854 /nfs/dbraw/zinc/67/48/54/344674854.db2.gz OLBXEXJWSOVKNL-SGMGOOAPSA-N 1 0 277.364 2.460 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)OCO2 ZINC000284025527 344677990 /nfs/dbraw/zinc/67/79/90/344677990.db2.gz IFRGIFZBKWDIBU-OCCSQVGLSA-N 1 0 291.347 2.264 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1COc3ccccc3[C@@H]1O)CC2 ZINC000297217561 344695803 /nfs/dbraw/zinc/69/58/03/344695803.db2.gz HBEICNJLIOQONH-LBTNJELSSA-N 1 0 297.354 2.464 20 10 CECDRO COc1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000091856408 364073857 /nfs/dbraw/zinc/07/38/57/364073857.db2.gz QCXHNQYGNVSMGD-GXTWGEPZSA-N 1 0 295.404 2.107 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN(C)C)c1 ZINC000168599332 367355017 /nfs/dbraw/zinc/35/50/17/367355017.db2.gz NYTHQVRSKGVLDB-QWRGUYRKSA-N 1 0 252.358 2.002 20 10 CECDRO Cc1cccc(C[NH+]2CCC(c3nncn3C)CC2)c1O ZINC000179753254 368349914 /nfs/dbraw/zinc/34/99/14/368349914.db2.gz ADVUKZZDTARPAH-UHFFFAOYSA-N 1 0 286.379 2.209 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CC1(O)CCCCC1 ZINC000180579714 368388076 /nfs/dbraw/zinc/38/80/76/368388076.db2.gz NQALLKISTDRAMC-UHFFFAOYSA-N 1 0 253.317 2.316 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000180683418 368392024 /nfs/dbraw/zinc/39/20/24/368392024.db2.gz TVSVXVLZPJXEDT-ZFWWWQNUSA-N 1 0 295.404 2.107 20 10 CECDRO CCCC[NH+]1CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000187030523 369087951 /nfs/dbraw/zinc/08/79/51/369087951.db2.gz ZDRWCMRWSCZPNQ-UHFFFAOYSA-N 1 0 292.379 2.092 20 10 CECDRO COCCO[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000188920735 369429082 /nfs/dbraw/zinc/42/90/82/369429082.db2.gz XCSXBNTUQCTMCJ-HNNXBMFYSA-N 1 0 279.380 2.246 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@H](C)OC)c(O)c1 ZINC000191138995 369684033 /nfs/dbraw/zinc/68/40/33/369684033.db2.gz PEBWLGQHBHFZGO-LLVKDONJSA-N 1 0 253.342 2.306 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)c1O ZINC000191281815 369697882 /nfs/dbraw/zinc/69/78/82/369697882.db2.gz PDBJBAVLCVKFJN-NXEZZACHSA-N 1 0 295.354 2.468 20 10 CECDRO CN1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1=O ZINC000191912780 369753094 /nfs/dbraw/zinc/75/30/94/369753094.db2.gz BKKBHAKLXHNIIR-UHFFFAOYSA-N 1 0 284.359 2.210 20 10 CECDRO CC1(C)CN(C(=O)C2=CC[C@H]([NH3+])C2)c2ccccc21 ZINC000638027699 370252505 /nfs/dbraw/zinc/25/25/05/370252505.db2.gz ZWEFTOIWXVJGEB-LBPRGKRZSA-N 1 0 256.349 2.358 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c(O)c1 ZINC000230659279 370462046 /nfs/dbraw/zinc/46/20/46/370462046.db2.gz WCEKCVVKFCVIPT-GZMMTYOYSA-N 1 0 263.259 2.274 20 10 CECDRO COc1ccc2c(c1)N(C(=O)C1=CC[C@@H]([NH3+])C1)CCC2 ZINC000638425218 370521358 /nfs/dbraw/zinc/52/13/58/370521358.db2.gz MQGZJKUWWPOQNE-CYBMUJFWSA-N 1 0 272.348 2.022 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000268709159 372189281 /nfs/dbraw/zinc/18/92/81/372189281.db2.gz FUEDKQBBZUJGPD-SWLSCSKDSA-N 1 0 277.412 2.318 20 10 CECDRO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268893236 372275280 /nfs/dbraw/zinc/27/52/80/372275280.db2.gz KCFRMSNIOLUBLR-YOEHRIQHSA-N 1 0 292.423 2.335 20 10 CECDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000271363215 373190029 /nfs/dbraw/zinc/19/00/29/373190029.db2.gz ISJIDIQYSHVHII-GHMZBOCLSA-N 1 0 279.336 2.026 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000272267701 373396928 /nfs/dbraw/zinc/39/69/28/373396928.db2.gz BHWSAPQRFQTZKG-NVXWUHKLSA-N 1 0 273.424 2.279 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1O ZINC000272700952 373621044 /nfs/dbraw/zinc/62/10/44/373621044.db2.gz YQMGXUFWANMAGS-HIFRSBDPSA-N 1 0 290.407 2.317 20 10 CECDRO CCC[C@@](C)(NCc1cccc(F)c1O)C(=O)OC ZINC000273827323 373773927 /nfs/dbraw/zinc/77/39/27/373773927.db2.gz FBRTVYGOIDHBNN-CQSZACIVSA-N 1 0 269.316 2.353 20 10 CECDRO CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273424981 373758389 /nfs/dbraw/zinc/75/83/89/373758389.db2.gz TVQFBAYAOHWKTA-NEPJUHHUSA-N 1 0 293.367 2.293 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[S@@](C)=O)c(O)c1C ZINC000273470126 373759996 /nfs/dbraw/zinc/75/99/96/373759996.db2.gz RVMIBZZQFYSYDF-GDAOTKPNSA-N 1 0 269.410 2.427 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000273554510 373764586 /nfs/dbraw/zinc/76/45/86/373764586.db2.gz GQSONMICQHKBRR-MDZLAQPJSA-N 1 0 293.363 2.254 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](C)OC)c1 ZINC000273568723 373764726 /nfs/dbraw/zinc/76/47/26/373764726.db2.gz KEWCEYQTUXEMRH-MNOVXSKESA-N 1 0 253.342 2.476 20 10 CECDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273591844 373766958 /nfs/dbraw/zinc/76/69/58/373766958.db2.gz PHWHMQNXXGPYBX-SWLSCSKDSA-N 1 0 293.407 2.319 20 10 CECDRO CCCOc1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c(O)c1 ZINC000375286955 374649180 /nfs/dbraw/zinc/64/91/80/374649180.db2.gz LSLAZWUWXMRMKO-OAHLLOKOSA-N 1 0 277.364 2.138 20 10 CECDRO CC[N@H+](CCOCCO)Cc1cc(Cl)cc(C)c1O ZINC000282654815 375540444 /nfs/dbraw/zinc/54/04/44/375540444.db2.gz GGNVQLXMPNOMJQ-UHFFFAOYSA-N 1 0 287.787 2.185 20 10 CECDRO CN(C)CC1([NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000282421098 375480603 /nfs/dbraw/zinc/48/06/03/375480603.db2.gz ZSJAPUZLWBYOQQ-UHFFFAOYSA-N 1 0 260.381 2.195 20 10 CECDRO CC[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccccc1O ZINC000282504000 375502423 /nfs/dbraw/zinc/50/24/23/375502423.db2.gz YIXAUYMSDLWTMN-KPZWWZAWSA-N 1 0 267.394 2.344 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CSC2(C)C)c1 ZINC000283126745 375661278 /nfs/dbraw/zinc/66/12/78/375661278.db2.gz VSWYILHWGLKAKR-LBPRGKRZSA-N 1 0 253.367 2.384 20 10 CECDRO CCn1cnnc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000284014099 375795859 /nfs/dbraw/zinc/79/58/59/375795859.db2.gz IKMXXRFCKIRBGN-GFCCVEGCSA-N 1 0 274.368 2.471 20 10 CECDRO Cc1cc(C[NH2+][C@H](C)c2cc(F)ccc2O)n(C)n1 ZINC000284520730 375829592 /nfs/dbraw/zinc/82/95/92/375829592.db2.gz WQGNCOBNBNDKRZ-SNVBAGLBSA-N 1 0 263.316 2.424 20 10 CECDRO CCc1nc(C)c(C[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000291894507 377216268 /nfs/dbraw/zinc/21/62/68/377216268.db2.gz YTOWFNPEGUKFRY-UHFFFAOYSA-N 1 0 290.319 2.270 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H](C)CCCO)c1O ZINC000294777109 378018491 /nfs/dbraw/zinc/01/84/91/378018491.db2.gz KRZTUVBABOQEQE-GFCCVEGCSA-N 1 0 267.369 2.289 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](O)C(F)F ZINC000295114513 378042581 /nfs/dbraw/zinc/04/25/81/378042581.db2.gz VMMFCMSSUUPQCP-YPMHNXCESA-N 1 0 290.329 2.386 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](CC)[C@@H](O)C(F)F)c1O ZINC000295114506 378043678 /nfs/dbraw/zinc/04/36/78/378043678.db2.gz VMIRZGOQLDXSBO-ZWNOBZJWSA-N 1 0 289.322 2.285 20 10 CECDRO COC(=O)N1CC([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000294821634 378022418 /nfs/dbraw/zinc/02/24/18/378022418.db2.gz QKCMVLIXHJYLPT-NSHDSACASA-N 1 0 278.352 2.110 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C(C)C)C2COC2)c1 ZINC000295954898 378368382 /nfs/dbraw/zinc/36/83/82/378368382.db2.gz HJIMKLGGMJKRIZ-UHFFFAOYSA-N 1 0 265.353 2.400 20 10 CECDRO COc1nccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)n1 ZINC000296249081 378466337 /nfs/dbraw/zinc/46/63/37/378466337.db2.gz CYNPMSGEQUWZRN-UHFFFAOYSA-N 1 0 298.390 2.157 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]Cc1nnc(C3CC3)[nH]1)CC2 ZINC000296583783 378584303 /nfs/dbraw/zinc/58/43/03/378584303.db2.gz UNVYEMDRTSMJFX-LLVKDONJSA-N 1 0 270.336 2.165 20 10 CECDRO CCCNC(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000298713239 378810451 /nfs/dbraw/zinc/81/04/51/378810451.db2.gz KYCPKIASIWVKBP-UHFFFAOYSA-N 1 0 291.439 2.489 20 10 CECDRO CCOC[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCO1 ZINC000530105999 380195152 /nfs/dbraw/zinc/19/51/52/380195152.db2.gz KAQIJAGKGFZNTI-INIZCTEOSA-N 1 0 291.391 2.118 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCOC[C@H]2C2CC2)c1O ZINC000093645469 394668830 /nfs/dbraw/zinc/66/88/30/394668830.db2.gz VUNJLFDXQGCXFG-AWEZNQCLSA-N 1 0 277.364 2.402 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H](C)N(C)C2CC2)c1O ZINC000105488276 394721836 /nfs/dbraw/zinc/72/18/36/394721836.db2.gz CVTWVAOONLZRKT-GFCCVEGCSA-N 1 0 278.396 2.363 20 10 CECDRO CC[C@@H]1C(=O)NCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000106855447 394725671 /nfs/dbraw/zinc/72/56/71/394725671.db2.gz GACDJKGFAQPAQS-OAHLLOKOSA-N 1 0 284.359 2.256 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@]2(C)CCOC2)cc1F ZINC000120245130 394777160 /nfs/dbraw/zinc/77/71/60/394777160.db2.gz UWRIAONFCGRMPR-AWEZNQCLSA-N 1 0 252.333 2.160 20 10 CECDRO CN1CCc2cc(CNC(=[NH2+])NC(C)(C)C)ccc21 ZINC000364418027 394899539 /nfs/dbraw/zinc/89/95/39/394899539.db2.gz QCAZBMRZTIZDLK-UHFFFAOYSA-N 1 0 260.385 2.091 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)c1O ZINC000132192495 394926277 /nfs/dbraw/zinc/92/62/77/394926277.db2.gz UHXZMTLMWQZGOA-MNOVXSKESA-N 1 0 251.326 2.010 20 10 CECDRO C[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCOC1 ZINC000132774371 394937509 /nfs/dbraw/zinc/93/75/09/394937509.db2.gz JDQDDOCGGXHGJX-NSHDSACASA-N 1 0 286.169 2.375 20 10 CECDRO Cc1cccc(C[NH+]2CCN(c3nccnc3C)CC2)c1O ZINC000374216096 395076906 /nfs/dbraw/zinc/07/69/06/395076906.db2.gz IDDNYJXQVGQMPF-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO Oc1ccccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000376043102 395108084 /nfs/dbraw/zinc/10/80/84/395108084.db2.gz GPGSJEWMPHVYIZ-UHFFFAOYSA-N 1 0 285.347 2.226 20 10 CECDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H]1O ZINC000293698147 395248427 /nfs/dbraw/zinc/24/84/27/395248427.db2.gz CMOGHEJFSZYMMF-GOEBONIOSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+](CC(N)=O)C(C)C)c1O ZINC000179579790 395196351 /nfs/dbraw/zinc/19/63/51/395196351.db2.gz GEZIEJDUTNSBRU-UHFFFAOYSA-N 1 0 270.760 2.050 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1O ZINC000187985429 395309961 /nfs/dbraw/zinc/30/99/61/395309961.db2.gz KNGNNEMKBUALRY-JOYOIKCWSA-N 1 0 285.771 2.305 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)Cc2ccncc2)c1 ZINC000183743945 395260496 /nfs/dbraw/zinc/26/04/96/395260496.db2.gz RYGQYQQQOJKMPM-UHFFFAOYSA-N 1 0 258.321 2.428 20 10 CECDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)C(F)(F)F ZINC000183923267 395268990 /nfs/dbraw/zinc/26/89/90/395268990.db2.gz ONLWRPGSPXQYFC-CYBMUJFWSA-N 1 0 290.329 2.498 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H](c2ccco2)N(C)C)c1 ZINC000020122464 171002859 /nfs/dbraw/zinc/00/28/59/171002859.db2.gz DYJMFHWHBLTQMF-CQSZACIVSA-N 1 0 290.363 2.386 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000038095983 174110304 /nfs/dbraw/zinc/11/03/04/174110304.db2.gz PGSZJGLRTIUJEG-GFCCVEGCSA-N 1 0 251.326 2.060 20 10 CECDRO Cc1noc(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 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ZINC000322096423 631723567 /nfs/dbraw/zinc/72/35/67/631723567.db2.gz IHIKBVAYCOSOST-SFHVURJKSA-N 1 0 267.394 2.125 20 10 CECDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000840091096 631834301 /nfs/dbraw/zinc/83/43/01/631834301.db2.gz IWPDPJWFDSVHDK-CQSZACIVSA-N 1 0 278.396 2.235 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)[C@H](O)C2)c(Cl)c1 ZINC000897680812 631865387 /nfs/dbraw/zinc/86/53/87/631865387.db2.gz WNUGWKPDSAJYBD-TVQRCGJNSA-N 1 0 255.745 2.167 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC000897824949 631932634 /nfs/dbraw/zinc/93/26/34/631932634.db2.gz PSUIKBNKPXYVRG-LEOABGAYSA-N 1 0 258.365 2.018 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CC23CC(O)C3)cc1F ZINC000897840879 631939311 /nfs/dbraw/zinc/93/93/11/631939311.db2.gz HYPHLRCLPYSSIA-CUMGRINNSA-N 1 0 282.334 2.034 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](CO)C(C)C)c1 ZINC000808422251 631960979 /nfs/dbraw/zinc/96/09/79/631960979.db2.gz ZRJKJPOOUYYYIO-CYBMUJFWSA-N 1 0 267.369 2.145 20 10 CECDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(O)cc1C ZINC000840168848 632078060 /nfs/dbraw/zinc/07/80/60/632078060.db2.gz NXTCTCXNUIZGLE-RYUDHWBXSA-N 1 0 265.378 2.399 20 10 CECDRO COc1cccc(O)c1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000809703903 632129647 /nfs/dbraw/zinc/12/96/47/632129647.db2.gz RRYCHNBJOLYPPD-KGLIPLIRSA-N 1 0 290.407 2.459 20 10 CECDRO COc1cccc(O)c1CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000809703901 632130503 /nfs/dbraw/zinc/13/05/03/632130503.db2.gz RRYCHNBJOLYPPD-KBPBESRZSA-N 1 0 290.407 2.459 20 10 CECDRO COC(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000809710554 632131097 /nfs/dbraw/zinc/13/10/97/632131097.db2.gz RYNISQIJUULTJA-UHFFFAOYSA-N 1 0 296.342 2.099 20 10 CECDRO Cc1ccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)nc1 ZINC000841041187 632227490 /nfs/dbraw/zinc/22/74/90/632227490.db2.gz BNZSFXVLIPSVQO-QGZVFWFLSA-N 1 0 284.407 2.246 20 10 CECDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000812780385 632576966 /nfs/dbraw/zinc/57/69/66/632576966.db2.gz CHXWRMIVKHYUGO-QGZVFWFLSA-N 1 0 290.407 2.134 20 10 CECDRO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCOC1 ZINC000812780384 632577271 /nfs/dbraw/zinc/57/72/71/632577271.db2.gz CHXWRMIVKHYUGO-KRWDZBQOSA-N 1 0 290.407 2.134 20 10 CECDRO CC[C@H]([NH2+]C1COCCOC1)c1ccc(C)cc1O ZINC000813880801 632751666 /nfs/dbraw/zinc/75/16/66/632751666.db2.gz PXNNIIQSIFGKOT-AWEZNQCLSA-N 1 0 265.353 2.157 20 10 CECDRO C[C@@H](NC(=[NH2+])NCc1cc(Cl)ccc1O)C1CC1 ZINC000899275860 632771304 /nfs/dbraw/zinc/77/13/04/632771304.db2.gz IZYSWTWXNYBBKA-MRVPVSSYSA-N 1 0 267.760 2.458 20 10 CECDRO FC(F)Cn1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000814292073 632821408 /nfs/dbraw/zinc/82/14/08/632821408.db2.gz MAWWZHVLFQCKBC-UHFFFAOYSA-N 1 0 293.317 2.373 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]3CN(C)C[C@H]32)cc1 ZINC000815120327 632962892 /nfs/dbraw/zinc/96/28/92/632962892.db2.gz GNJAIENOWRNQEE-NVXWUHKLSA-N 1 0 273.424 2.279 20 10 CECDRO Oc1c(C[NH2+]CCCn2cncn2)ccc2ccccc21 ZINC000816547013 633410215 /nfs/dbraw/zinc/41/02/15/633410215.db2.gz GKFXWUCLBYJWEF-UHFFFAOYSA-N 1 0 282.347 2.317 20 10 CECDRO CCOCC(C)(C)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000816639507 633454767 /nfs/dbraw/zinc/45/47/67/633454767.db2.gz UTDWMBDUNXMUAK-UHFFFAOYSA-N 1 0 283.368 2.314 20 10 CECDRO COc1c(O)c(C[N@@H+]2C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000816647220 633456245 /nfs/dbraw/zinc/45/62/45/633456245.db2.gz PKANKUOWYUZCQJ-BDAKNGLRSA-N 1 0 266.297 2.149 20 10 CECDRO CN(C)c1ccc(CN(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000817290025 633621766 /nfs/dbraw/zinc/62/17/66/633621766.db2.gz AMUVBYXEPRUDPM-MRXNPFEDSA-N 1 0 261.413 2.279 20 10 CECDRO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1cc(Cl)ccc1O ZINC000817584940 633701454 /nfs/dbraw/zinc/70/14/54/633701454.db2.gz BEDVFCWQKDZXGW-SECBINFHSA-N 1 0 282.771 2.352 20 10 CECDRO CC[C@@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000817586235 633702802 /nfs/dbraw/zinc/70/28/02/633702802.db2.gz MTPLBZIPVWFGDR-OAHLLOKOSA-N 1 0 278.396 2.025 20 10 CECDRO CCCN1C[C@H](C[NH2+][C@H](C)c2ccccc2O)CC1=O ZINC000817590159 633703468 /nfs/dbraw/zinc/70/34/68/633703468.db2.gz UYYSORBSIZSHAG-OLZOCXBDSA-N 1 0 276.380 2.301 20 10 CECDRO CC[C@@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]1 ZINC000817902041 633762993 /nfs/dbraw/zinc/76/29/93/633762993.db2.gz HHJUVHZOMGAHTG-CABCVRRESA-N 1 0 260.381 2.242 20 10 CECDRO C[NH2+]CCN[C@H](C)c1cc(Br)ccc1O ZINC000817951246 633788970 /nfs/dbraw/zinc/78/89/70/633788970.db2.gz CHBVCLORBYZOOF-MRVPVSSYSA-N 1 0 273.174 2.025 20 10 CECDRO C[C@@H](N[C@H]1CCC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817941439 633790017 /nfs/dbraw/zinc/79/00/17/633790017.db2.gz QHJACSDRZYVOLU-KOLCDFICSA-N 1 0 254.761 2.448 20 10 CECDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817941822 633790113 /nfs/dbraw/zinc/79/01/13/633790113.db2.gz LBOKTBOSLFEVOX-DYVFJYSZSA-N 1 0 284.407 2.498 20 10 CECDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)[C@H]1CCCOC1 ZINC000817942897 633790597 /nfs/dbraw/zinc/79/05/97/633790597.db2.gz RHUPOXDBRBVTNB-JLJPHGGASA-N 1 0 291.439 2.157 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817945955 633792325 /nfs/dbraw/zinc/79/23/25/633792325.db2.gz OHYFCOLFXNSAQK-MNOVXSKESA-N 1 0 252.333 2.182 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817946281 633793601 /nfs/dbraw/zinc/79/36/01/633793601.db2.gz VEIUSOQIPROIJD-VHSXEESVSA-N 1 0 270.323 2.321 20 10 CECDRO CC[C@@H](NCC[NH2+]C)c1cc(Br)ccc1O ZINC000817953216 633797298 /nfs/dbraw/zinc/79/72/98/633797298.db2.gz XJIRSVBWDKXDIZ-LLVKDONJSA-N 1 0 287.201 2.415 20 10 CECDRO C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817955558 633799496 /nfs/dbraw/zinc/79/94/96/633799496.db2.gz YUBWLQLWILUYQT-VHSXEESVSA-N 1 0 270.323 2.321 20 10 CECDRO CCn1cc([C@H](C)[NH2+]CCc2ccc(N)cc2)cn1 ZINC000817955916 633799593 /nfs/dbraw/zinc/79/95/93/633799593.db2.gz LESJHHSAMQRNAT-LBPRGKRZSA-N 1 0 258.369 2.379 20 10 CECDRO Cc1cc([C@@H](C)[NH2+]CCc2ccc(N)cc2)n(C)n1 ZINC000817957928 633800124 /nfs/dbraw/zinc/80/01/24/633800124.db2.gz RASMKCVNTHVVNN-GFCCVEGCSA-N 1 0 258.369 2.204 20 10 CECDRO CCn1ccnc1[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817958556 633801299 /nfs/dbraw/zinc/80/12/99/633801299.db2.gz XLOAXQFSIFQJBU-LBPRGKRZSA-N 1 0 258.369 2.379 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@H](CN)C2CC2)c2c1c(F)ccc2O ZINC000817961314 633803186 /nfs/dbraw/zinc/80/31/86/633803186.db2.gz XCSPGXHTZJNTHN-GGZOMVNGSA-N 1 0 264.344 2.407 20 10 CECDRO CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959892 633803507 /nfs/dbraw/zinc/80/35/07/633803507.db2.gz WKGLEXBEOPAZRZ-PELKAZGASA-N 1 0 258.312 2.304 20 10 CECDRO C[C@@H]([NH2+]CC1C[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817965349 633806025 /nfs/dbraw/zinc/80/60/25/633806025.db2.gz PFIFDOLSEGHTRU-MRVPVSSYSA-N 1 0 274.286 2.281 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(F)cc1[O-] ZINC000817972628 633816093 /nfs/dbraw/zinc/81/60/93/633816093.db2.gz YUPWLFSBZGQKLI-KWBADKCTSA-N 1 0 252.333 2.180 20 10 CECDRO COC[C@]1(CN[C@@H](C)c2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000817974209 633817359 /nfs/dbraw/zinc/81/73/59/633817359.db2.gz JKIWGHGFFOIEOQ-WMLDXEAASA-N 1 0 291.439 2.172 20 10 CECDRO COc1ccc(O)c([C@@H](C)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000817979959 633823786 /nfs/dbraw/zinc/82/37/86/633823786.db2.gz GSUGXHNLEAUTAX-RNCFNFMXSA-N 1 0 286.322 2.049 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981678 633825343 /nfs/dbraw/zinc/82/53/43/633825343.db2.gz MIJGVPSZPHRYOB-HBNTYKKESA-N 1 0 279.340 2.078 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CNCCO1)c1ccc2ccccc2c1O ZINC000817983946 633826663 /nfs/dbraw/zinc/82/66/63/633826663.db2.gz SFDIYOHILYMPNX-GXTWGEPZSA-N 1 0 286.375 2.184 20 10 CECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3ncc[nH]3)C2)cc1 ZINC000818221385 633886463 /nfs/dbraw/zinc/88/64/63/633886463.db2.gz RQHADWVFQZWQJM-ZDUSSCGKSA-N 1 0 286.379 2.034 20 10 CECDRO CSCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000237507671 633919110 /nfs/dbraw/zinc/91/91/10/633919110.db2.gz VTNYIBMXMXWJJU-UHFFFAOYSA-N 1 0 284.400 2.115 20 10 CECDRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953776 634014884 /nfs/dbraw/zinc/01/48/84/634014884.db2.gz MXEKSMQAGKNWBY-QGZVFWFLSA-N 1 0 292.423 2.164 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)N(C)OC)cc1 ZINC000818965090 634020087 /nfs/dbraw/zinc/02/00/87/634020087.db2.gz PEHOAPNKFPYHIZ-UHFFFAOYSA-N 1 0 293.411 2.032 20 10 CECDRO COC(=O)C1(C)C[NH+](Cc2cc(C)c(C)cc2O)C1 ZINC000822534874 634938816 /nfs/dbraw/zinc/93/88/16/634938816.db2.gz ZQNGELDFMHLVNK-UHFFFAOYSA-N 1 0 263.337 2.004 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C)cc1 ZINC000903321692 635055580 /nfs/dbraw/zinc/05/55/80/635055580.db2.gz HYTIDNREJRJHIP-BBRMVZONSA-N 1 0 261.413 2.497 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CCN1C)c1cc(Cl)ccc1O ZINC000903316299 635063052 /nfs/dbraw/zinc/06/30/52/635063052.db2.gz DFDNFRMPFRKSLY-GXSJLCMTSA-N 1 0 254.761 2.400 20 10 CECDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1=O ZINC000903392756 635089218 /nfs/dbraw/zinc/08/92/18/635089218.db2.gz YKVBDQDVMPIHQC-BXUZGUMPSA-N 1 0 292.379 2.062 20 10 CECDRO CCn1nnc(C)c1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000823730421 635267599 /nfs/dbraw/zinc/26/75/99/635267599.db2.gz WGJKMKGPAOSXRK-UHFFFAOYSA-N 1 0 299.422 2.279 20 10 CECDRO COc1ccc(CNC[C@H]2C[NH2+]CCC2(F)F)cc1C ZINC000903954825 635389386 /nfs/dbraw/zinc/38/93/86/635389386.db2.gz GWGGSZGYBVUNRI-CYBMUJFWSA-N 1 0 284.350 2.338 20 10 CECDRO CCOc1ccc(C[NH2+]CC[C@@H](C)CCO)c(O)c1 ZINC000824517427 635441079 /nfs/dbraw/zinc/44/10/79/635441079.db2.gz UVGVFRYJGJAJOP-GFCCVEGCSA-N 1 0 267.369 2.289 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H](C)CCCO)c(O)c1 ZINC000824603400 635461657 /nfs/dbraw/zinc/46/16/57/635461657.db2.gz RIIXIVGKWWZXQG-LBPRGKRZSA-N 1 0 267.369 2.289 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CC)[C@H](O)C(F)F)c(O)c1 ZINC000824635304 635467262 /nfs/dbraw/zinc/46/72/62/635467262.db2.gz GPYFTJCSQSHIQL-AAEUAGOBSA-N 1 0 289.322 2.285 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H]2CC)c(O)c1 ZINC000824637174 635468018 /nfs/dbraw/zinc/46/80/18/635468018.db2.gz WKMGHIIEXAMRLA-ZFWWWQNUSA-N 1 0 279.380 2.384 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2OC)c1 ZINC000824709457 635482685 /nfs/dbraw/zinc/48/26/85/635482685.db2.gz QIWKLTSJDAZDOW-MQIPJXDCSA-N 1 0 295.379 2.103 20 10 CECDRO CC[C@@](C)(C[NH2+]Cc1cc(OC)c(OC)cc1O)OC ZINC000824743388 635489959 /nfs/dbraw/zinc/48/99/59/635489959.db2.gz ARKOXEXKXIDWBO-HNNXBMFYSA-N 1 0 283.368 2.314 20 10 CECDRO C[C@H](Cc1ccco1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879916 635496370 /nfs/dbraw/zinc/49/63/70/635496370.db2.gz PAONOWQDUZHWKD-SNVBAGLBSA-N 1 0 275.304 2.435 20 10 CECDRO COc1cccc(O)c1C[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000824815066 635503541 /nfs/dbraw/zinc/50/35/41/635503541.db2.gz IBWSUQSSDGKHEI-BXUZGUMPSA-N 1 0 265.353 2.258 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H](C)[C@H](OC)C2CC2)cc1OC ZINC000825099084 635566986 /nfs/dbraw/zinc/56/69/86/635566986.db2.gz UKZKLCOWMGNQOW-HWPZZCPQSA-N 1 0 295.379 2.313 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNCc2nccn2C2CC2)cc1 ZINC000904354022 635585373 /nfs/dbraw/zinc/58/53/73/635585373.db2.gz UHUUHUZPESDAIW-MRXNPFEDSA-N 1 0 299.422 2.074 20 10 CECDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000904355011 635586851 /nfs/dbraw/zinc/58/68/51/635586851.db2.gz JSYYZLDTDMWJMZ-IUODEOHRSA-N 1 0 260.381 2.099 20 10 CECDRO CC[S@](=O)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825282921 635605454 /nfs/dbraw/zinc/60/54/54/635605454.db2.gz AVBUJTCDXUAGFV-KRWDZBQOSA-N 1 0 275.801 2.212 20 10 CECDRO FC1(F)CC[NH2+]C[C@H]1CNCc1ccc2c(c1)CCCO2 ZINC000904386023 635608198 /nfs/dbraw/zinc/60/81/98/635608198.db2.gz NANWYOZZGLKGKP-AWEZNQCLSA-N 1 0 296.361 2.346 20 10 CECDRO COc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)nc1 ZINC000825305444 635609350 /nfs/dbraw/zinc/60/93/50/635609350.db2.gz JFSJJPPLKKCROK-UHFFFAOYSA-N 1 0 299.374 2.118 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)cc1F ZINC000825339070 635620435 /nfs/dbraw/zinc/62/04/35/635620435.db2.gz ZRCSZUHBVQCVCZ-CYBMUJFWSA-N 1 0 280.387 2.486 20 10 CECDRO CO[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)C[C@@H]1OC ZINC000825693025 635695938 /nfs/dbraw/zinc/69/59/38/635695938.db2.gz RLJXETUWJXWTMX-OKILXGFUSA-N 1 0 285.771 2.200 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)cc1Cl ZINC000825752399 635707276 /nfs/dbraw/zinc/70/72/76/635707276.db2.gz ACFBIEJEBMZSRV-YPMHNXCESA-N 1 0 299.798 2.089 20 10 CECDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000826139747 635765621 /nfs/dbraw/zinc/76/56/21/635765621.db2.gz MQKVNIZXOKVZJQ-JFUSQASVSA-N 1 0 283.755 2.333 20 10 CECDRO Cc1cc(Br)cc(C[NH2+]C/C=C\CO)c1O ZINC000826936760 636167234 /nfs/dbraw/zinc/16/72/34/636167234.db2.gz DUPKOZHSTKXJGU-IHWYPQMZSA-N 1 0 286.169 2.101 20 10 CECDRO COc1cccc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)c1O ZINC000827017986 636191034 /nfs/dbraw/zinc/19/10/34/636191034.db2.gz QHIDZEYTEOPOSU-IYBDPMFKSA-N 1 0 277.364 2.259 20 10 CECDRO O=C1CC[C@H]2C[N@H+](Cc3c(O)cccc3Cl)CC[C@H]2N1 ZINC000827133907 636230109 /nfs/dbraw/zinc/23/01/09/636230109.db2.gz XUHDXGXXWROJPD-GXFFZTMASA-N 1 0 294.782 2.146 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(O)c1 ZINC000827594765 636362079 /nfs/dbraw/zinc/36/20/79/636362079.db2.gz JMAAWGQMYZFOMD-KBPBESRZSA-N 1 0 277.364 2.259 20 10 CECDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2O)C1 ZINC000827812112 636430374 /nfs/dbraw/zinc/43/03/74/636430374.db2.gz COZUMBBPZLWQMZ-JLIMDTESSA-N 1 0 299.754 2.095 20 10 CECDRO CC[C@@H]1[C@@H](C(=O)N[C@H](C)c2ccccc2O)CC[N@@H+]1C ZINC000827952119 636467797 /nfs/dbraw/zinc/46/77/97/636467797.db2.gz GQRAFWXDXFXVNC-KWCYVHTRSA-N 1 0 276.380 2.300 20 10 CECDRO C[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)c1ccccc1O ZINC000827968977 636473851 /nfs/dbraw/zinc/47/38/51/636473851.db2.gz DLCOOCFNIFLWHZ-ZDUSSCGKSA-N 1 0 299.374 2.491 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C[C@@H](C)[NH3+])cc1F ZINC000829038798 636758458 /nfs/dbraw/zinc/75/84/58/636758458.db2.gz PCFJLKZXWSDEDZ-LLVKDONJSA-N 1 0 281.375 2.025 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000876541459 650313745 /nfs/dbraw/zinc/31/37/45/650313745.db2.gz 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1 0 266.772 2.372 20 10 CECDRO COC(=O)c1occc1C[NH2+]Cc1ccccc1O ZINC000164475936 639378093 /nfs/dbraw/zinc/37/80/93/639378093.db2.gz FIKCUOBYDMEGLO-UHFFFAOYSA-N 1 0 261.277 2.062 20 10 CECDRO CCCNC(=O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000045072161 639386561 /nfs/dbraw/zinc/38/65/61/639386561.db2.gz CUBKXOJQVUJWJX-UHFFFAOYSA-N 1 0 270.760 2.052 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)c(O)c1 ZINC000876933831 650492370 /nfs/dbraw/zinc/49/23/70/650492370.db2.gz AEFUQLUUDCYPBR-LSDHHAIUSA-N 1 0 260.381 2.417 20 10 CECDRO OCC1(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000165126919 639415320 /nfs/dbraw/zinc/41/53/20/639415320.db2.gz OOBKTLBSBVTYJQ-UHFFFAOYSA-N 1 0 286.169 2.017 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@H](O)C2)c1 ZINC000224866409 639466287 /nfs/dbraw/zinc/46/62/87/639466287.db2.gz AVSDOPVGTILFLW-AAEUAGOBSA-N 1 0 265.353 2.042 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000226611453 639555892 /nfs/dbraw/zinc/55/58/92/639555892.db2.gz OUUIPSQCGNKDSD-MFKMUULPSA-N 1 0 253.317 2.172 20 10 CECDRO CC[C@H]([NH2+]CCc1ccnn1C)c1ccccc1O ZINC000158119794 639571727 /nfs/dbraw/zinc/57/17/27/639571727.db2.gz RVXSFEZZDSGOJY-AWEZNQCLSA-N 1 0 259.353 2.409 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)c1 ZINC000168846657 639587049 /nfs/dbraw/zinc/58/70/49/639587049.db2.gz ZADBHFSSTHBSBZ-ZHYXMNDGSA-N 1 0 285.409 2.209 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCOC[C@@H]1CCCO1 ZINC000840933725 639590542 /nfs/dbraw/zinc/59/05/42/639590542.db2.gz IFSFVIGCNJSSHC-KRWDZBQOSA-N 1 0 292.423 2.346 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CC1(O)CCOCC1 ZINC000840940318 639593800 /nfs/dbraw/zinc/59/38/00/639593800.db2.gz XEPQJIBQXJJGSW-UHFFFAOYSA-N 1 0 292.423 2.034 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000840949832 639597797 /nfs/dbraw/zinc/59/77/97/639597797.db2.gz CNMRCIAEKMZVPY-WMLDXEAASA-N 1 0 292.423 2.033 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840952554 639598825 /nfs/dbraw/zinc/59/88/25/639598825.db2.gz DZHPPPXPKVKRNL-VHSXEESVSA-N 1 0 282.771 2.098 20 10 CECDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000840961769 639602791 /nfs/dbraw/zinc/60/27/91/639602791.db2.gz ZEDCBUQRMFPLNL-HWPZZCPQSA-N 1 0 293.363 2.414 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1O ZINC000840980355 639608689 /nfs/dbraw/zinc/60/86/89/639608689.db2.gz XHJROWMCZUYIHR-JSGCOSHPSA-N 1 0 279.380 2.384 20 10 CECDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000840978632 639608988 /nfs/dbraw/zinc/60/89/88/639608988.db2.gz UGTWQBVMLCKFRG-ZDUSSCGKSA-N 1 0 295.404 2.039 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2CC[C@H]1CCCO1 ZINC000087249203 639625133 /nfs/dbraw/zinc/62/51/33/639625133.db2.gz CJRHZINFTFBSTB-OAHLLOKOSA-N 1 0 260.381 2.467 20 10 CECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841033815 639626735 /nfs/dbraw/zinc/62/67/35/639626735.db2.gz ZRIZFUAUNDFCJA-VIFPVBQESA-N 1 0 272.751 2.274 20 10 CECDRO Cc1cc(Br)c(O)c(CNC[C@H]2CCC[NH2+]2)c1 ZINC000841035700 639627801 /nfs/dbraw/zinc/62/78/01/639627801.db2.gz KDJSMSPZTBQVQX-LLVKDONJSA-N 1 0 299.212 2.305 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CN)CC(C)C)cc1C ZINC000841037624 639628768 /nfs/dbraw/zinc/62/87/68/639628768.db2.gz BQHQMTHIXUASBH-AWEZNQCLSA-N 1 0 250.386 2.472 20 10 CECDRO Cc1cccc(C[NH2+]CCCNCc2cccnc2)c1O ZINC000841041039 639630094 /nfs/dbraw/zinc/63/00/94/639630094.db2.gz AUCIJDURLKIBMP-UHFFFAOYSA-N 1 0 285.391 2.365 20 10 CECDRO C[C@H](C[NH3+])C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000841048109 639632182 /nfs/dbraw/zinc/63/21/82/639632182.db2.gz GYGZZCUKLWZMHI-SSDOTTSWSA-N 1 0 263.168 2.383 20 10 CECDRO CN(C)c1ccc(/C=C\CNC[C@@H]([NH3+])C2CC2)cc1 ZINC000841051624 639633347 /nfs/dbraw/zinc/63/33/47/639633347.db2.gz SVVAYTBAEWVNOF-MJSXRHKHSA-N 1 0 259.397 2.093 20 10 CECDRO C[C@H](C[NH3+])NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000841061265 639636524 /nfs/dbraw/zinc/63/65/24/639636524.db2.gz WKBJGCCHJPPBIS-SECBINFHSA-N 1 0 275.318 2.208 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000841063148 639638190 /nfs/dbraw/zinc/63/81/90/639638190.db2.gz IWFXHLGXXHBPLH-CZUORRHYSA-N 1 0 261.413 2.291 20 10 CECDRO CC[NH2+][C@H](C)CNCc1cc(Cl)cc(OC)c1O ZINC000841066718 639641410 /nfs/dbraw/zinc/64/14/10/639641410.db2.gz VFKFUFBSMFOZBB-SECBINFHSA-N 1 0 272.776 2.142 20 10 CECDRO Cc1ccc(C[NH2+][C@H](C)Cc2cnccn2)c(O)c1 ZINC000876975387 650514482 /nfs/dbraw/zinc/51/44/82/650514482.db2.gz FGHSHXKSOGVNSC-GFCCVEGCSA-N 1 0 257.337 2.211 20 10 CECDRO CCOCc1cc(CN[C@H]2CCCC[NH2+]C2)ccc1OC ZINC000841088800 639651994 /nfs/dbraw/zinc/65/19/94/639651994.db2.gz CMHQFZMSAQYKHL-INIZCTEOSA-N 1 0 292.423 2.463 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@H]1CCCC[NH2+]C1 ZINC000841090812 639653758 /nfs/dbraw/zinc/65/37/58/639653758.db2.gz RAJLEGHELAMDQM-HNNXBMFYSA-N 1 0 261.413 2.293 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000841092220 639654510 /nfs/dbraw/zinc/65/45/10/639654510.db2.gz LLNJHSNIDMQKTI-UHFFFAOYSA-N 1 0 254.761 2.277 20 10 CECDRO Oc1cc2c(cc1C[NH2+]Cc1ccsc1)OCO2 ZINC000060942069 639663706 /nfs/dbraw/zinc/66/37/06/639663706.db2.gz BQABSLLISPFUAP-UHFFFAOYSA-N 1 0 263.318 2.472 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccc(N(C)C)cc1 ZINC000228949578 639667021 /nfs/dbraw/zinc/66/70/21/639667021.db2.gz ODLDMVFUABIEDL-NEPJUHHUSA-N 1 0 275.396 2.070 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c1O ZINC000230670176 639777955 /nfs/dbraw/zinc/77/79/55/639777955.db2.gz BEOSBYUVAOYIMV-GXTWGEPZSA-N 1 0 279.380 2.432 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c1O ZINC000230670186 639778161 /nfs/dbraw/zinc/77/81/61/639778161.db2.gz BEOSBYUVAOYIMV-JSGCOSHPSA-N 1 0 279.380 2.432 20 10 CECDRO COc1ccc(C[NH2+]Cc2ncc(C)s2)c(O)c1 ZINC000230687328 639780900 /nfs/dbraw/zinc/78/09/00/639780900.db2.gz JGJXYHVPUXXMBC-UHFFFAOYSA-N 1 0 264.350 2.456 20 10 CECDRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(Cl)cc1O ZINC000841752064 639858233 /nfs/dbraw/zinc/85/82/33/639858233.db2.gz FOYSZFOEELTGMT-IINYFYTJSA-N 1 0 299.798 2.484 20 10 CECDRO C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)S(C)(=O)=O ZINC000841752539 639858367 /nfs/dbraw/zinc/85/83/67/639858367.db2.gz UFNJJZXDNOUCPB-BDAKNGLRSA-N 1 0 291.800 2.129 20 10 CECDRO COC(=O)N1CC([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000841751700 639858852 /nfs/dbraw/zinc/85/88/52/639858852.db2.gz OJAPTMLKWPCYHD-MRVPVSSYSA-N 1 0 284.743 2.147 20 10 CECDRO CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841762981 639859505 /nfs/dbraw/zinc/85/95/05/639859505.db2.gz LFNJDBAZXOAWDZ-VVVCHXIZSA-N 1 0 275.801 2.465 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC(C)(C)[NH3+] ZINC000841950580 639910184 /nfs/dbraw/zinc/91/01/84/639910184.db2.gz MSDZUZKVUKAHJQ-UHFFFAOYSA-N 1 0 292.427 2.021 20 10 CECDRO NC(=O)C1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000312808652 640152000 /nfs/dbraw/zinc/15/20/00/640152000.db2.gz LINAODUNXCGSOV-BPCQOVAHSA-N 1 0 274.364 2.013 20 10 CECDRO CN(C(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccc(N)cc1 ZINC000877075796 650560997 /nfs/dbraw/zinc/56/09/97/650560997.db2.gz HXAGUNNINFADRN-CYBMUJFWSA-N 1 0 261.369 2.010 20 10 CECDRO [NH3+]CC1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000843047255 640252057 /nfs/dbraw/zinc/25/20/57/640252057.db2.gz IHORBNAUBGKONV-UHFFFAOYSA-N 1 0 272.751 2.355 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CCC[C@@H]([NH3+])C2)cc1 ZINC000843047288 640252748 /nfs/dbraw/zinc/25/27/48/640252748.db2.gz JSCFZEKBMMTJKJ-UYWPIULCSA-N 1 0 259.397 2.189 20 10 CECDRO C[NH2+]C1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000843049613 640253871 /nfs/dbraw/zinc/25/38/71/640253871.db2.gz SYVSWNVFFKRAPW-UHFFFAOYSA-N 1 0 261.413 2.245 20 10 CECDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(N(C)C)c(F)c1 ZINC000843065149 640266170 /nfs/dbraw/zinc/26/61/70/640266170.db2.gz JSIQEACUURGUCC-TXEJJXNPSA-N 1 0 265.376 2.074 20 10 CECDRO Cc1ccc(O)c(CN2CC[NH2+]C[C@@H]2c2ccncc2)c1 ZINC000843120473 640289668 /nfs/dbraw/zinc/28/96/68/640289668.db2.gz MFKSOCUWHCPQRN-MRXNPFEDSA-N 1 0 283.375 2.242 20 10 CECDRO [O-]c1c(F)cccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843127438 640294432 /nfs/dbraw/zinc/29/44/32/640294432.db2.gz RCWBYOBMVSFLIN-CYBMUJFWSA-N 1 0 278.371 2.353 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c(O)c1 ZINC000877093211 650569100 /nfs/dbraw/zinc/56/91/00/650569100.db2.gz FZYNUAGGOMIEGA-IRXDYDNUSA-N 1 0 269.344 2.449 20 10 CECDRO COCC1(CC[NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000843419385 640422108 /nfs/dbraw/zinc/42/21/08/640422108.db2.gz UPSLSZILFGEUPE-UHFFFAOYSA-N 1 0 295.379 2.316 20 10 CECDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000843427565 640426863 /nfs/dbraw/zinc/42/68/63/640426863.db2.gz RCCUKZYSZLNDCG-YPMHNXCESA-N 1 0 267.369 2.288 20 10 CECDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877145742 650593993 /nfs/dbraw/zinc/59/39/93/650593993.db2.gz BJHYLUPLBJQXKU-NEPJUHHUSA-N 1 0 264.369 2.093 20 10 CECDRO CC[NH2+]CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000844183469 640625355 /nfs/dbraw/zinc/62/53/55/640625355.db2.gz CDBJCAJXWQQOLN-UHFFFAOYSA-N 1 0 289.423 2.149 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])[C@H]1CC[NH3+] ZINC000844901216 640859796 /nfs/dbraw/zinc/85/97/96/640859796.db2.gz FZCVMLSBEXUJPN-RISCZKNCSA-N 1 0 266.360 2.481 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1O ZINC000154415628 640889602 /nfs/dbraw/zinc/88/96/02/640889602.db2.gz GJEUBXXHPWEUGZ-CYBMUJFWSA-N 1 0 265.353 2.136 20 10 CECDRO COC(=O)CC1CC([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000845971143 641141088 /nfs/dbraw/zinc/14/10/88/641141088.db2.gz HKFABKJEDGFELQ-UNXYVOJBSA-N 1 0 293.363 2.393 20 10 CECDRO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1O ZINC000846108094 641183654 /nfs/dbraw/zinc/18/36/54/641183654.db2.gz NPHXQRLHHWLFMW-AWEZNQCLSA-N 1 0 284.359 2.258 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CC[C@@]2(O)CCCOC2)c1O ZINC000846107355 641184372 /nfs/dbraw/zinc/18/43/72/641184372.db2.gz HVGVYJYGUANYQU-HNNXBMFYSA-N 1 0 299.798 2.375 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@@]2(O)CCCOC2)cc1C ZINC000846109382 641184437 /nfs/dbraw/zinc/18/44/37/641184437.db2.gz HUUKGEMTSAJZGO-INIZCTEOSA-N 1 0 279.380 2.030 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCOC[C@H]2CCCO2)c1O ZINC000846142577 641198965 /nfs/dbraw/zinc/19/89/65/641198965.db2.gz ATWPFCQRXLMCDI-CHWSQXEVSA-N 1 0 295.379 2.247 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCOC2)c1O ZINC000846146479 641201875 /nfs/dbraw/zinc/20/18/75/641201875.db2.gz RVIHCZFACBZNIP-QWRGUYRKSA-N 1 0 251.326 2.088 20 10 CECDRO CC[C@](C)(O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148223 641202856 /nfs/dbraw/zinc/20/28/56/641202856.db2.gz YDSRANTUMRSIPH-YGRLFVJLSA-N 1 0 253.342 2.212 20 10 CECDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846151511 641204486 /nfs/dbraw/zinc/20/44/86/641204486.db2.gz ZFYBBUYDDBJJDX-WDEREUQCSA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)c1O ZINC000846152881 641204760 /nfs/dbraw/zinc/20/47/60/641204760.db2.gz VGNNQNRUNDFKQD-WCQYABFASA-N 1 0 292.379 2.061 20 10 CECDRO COC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C1CC1 ZINC000846157671 641207052 /nfs/dbraw/zinc/20/70/52/641207052.db2.gz OAHRJPHVABLYJQ-GWCFXTLKSA-N 1 0 265.353 2.476 20 10 CECDRO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)[nH]1 ZINC000846157388 641207271 /nfs/dbraw/zinc/20/72/71/641207271.db2.gz MEMZANKEZUTMHL-VHSXEESVSA-N 1 0 290.367 2.493 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(C)(C)O)c1O ZINC000846162549 641207860 /nfs/dbraw/zinc/20/78/60/641207860.db2.gz LEGOGUHCNGITIN-UWVGGRQHSA-N 1 0 253.342 2.211 20 10 CECDRO COCC1([NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846160515 641207936 /nfs/dbraw/zinc/20/79/36/641207936.db2.gz PLVYQTFQGGWTOM-JTQLQIEISA-N 1 0 251.326 2.230 20 10 CECDRO CC[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)OC ZINC000846172891 641212850 /nfs/dbraw/zinc/21/28/50/641212850.db2.gz PIJJUATYLYNYLW-MNOVXSKESA-N 1 0 253.342 2.476 20 10 CECDRO CC[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000846193740 641219541 /nfs/dbraw/zinc/21/95/41/641219541.db2.gz KTTQUKHOPRCZMU-DLBZAZTESA-N 1 0 292.423 2.335 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(N(C)C)cc1 ZINC000846207766 641222114 /nfs/dbraw/zinc/22/21/14/641222114.db2.gz DUUCZAXRDTUTKW-MRXNPFEDSA-N 1 0 289.423 2.416 20 10 CECDRO CC[N@H+](CCOC)Cc1c(O)ccc2ccncc21 ZINC000921045802 641223805 /nfs/dbraw/zinc/22/38/05/641223805.db2.gz FHOHBIQQWQUEAH-UHFFFAOYSA-N 1 0 260.337 2.409 20 10 CECDRO Cc1ccc(C(=O)NCCC[N@@H+](C)CC(C)C)c(O)c1O ZINC000846290784 641262079 /nfs/dbraw/zinc/26/20/79/641262079.db2.gz FOADDDNGCABTKK-UHFFFAOYSA-N 1 0 294.395 2.114 20 10 CECDRO C[C@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccccc1O ZINC000877255878 650644397 /nfs/dbraw/zinc/64/43/97/650644397.db2.gz JIEISDHTQSDWFG-SMDDNHRTSA-N 1 0 276.380 2.348 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccccc1O ZINC000877255452 650644429 /nfs/dbraw/zinc/64/44/29/650644429.db2.gz DGIBUIMAFKGQTE-OSRDXIQISA-N 1 0 288.391 2.490 20 10 CECDRO CC[C@@H](C)[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000233854190 641342447 /nfs/dbraw/zinc/34/24/47/641342447.db2.gz PKXMQYZRUWZUCS-GFCCVEGCSA-N 1 0 266.360 2.447 20 10 CECDRO OCCO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000179574598 641364348 /nfs/dbraw/zinc/36/43/48/641364348.db2.gz HMYNIBDSSFRULX-ZDUSSCGKSA-N 1 0 285.771 2.019 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnn(C)c2C)c1 ZINC000182450943 641660746 /nfs/dbraw/zinc/66/07/46/641660746.db2.gz LILRBSMNZYIARW-JTQLQIEISA-N 1 0 275.352 2.294 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@]2(C)CCCO2)cc1OC ZINC000182641046 641687428 /nfs/dbraw/zinc/68/74/28/641687428.db2.gz UCXAAGUSZOGGQG-OAHLLOKOSA-N 1 0 281.352 2.068 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000877395554 650704171 /nfs/dbraw/zinc/70/41/71/650704171.db2.gz ZNMJFEBDBDASEM-UHFFFAOYSA-N 1 0 289.404 2.335 20 10 CECDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877401302 650707667 /nfs/dbraw/zinc/70/76/67/650707667.db2.gz BGUZMDPFTVUQKG-LBPRGKRZSA-N 1 0 278.352 2.021 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@H](COC(C)C)C2)c(O)c1 ZINC000877402262 650707692 /nfs/dbraw/zinc/70/76/92/650707692.db2.gz AWCSHTLJROJSHS-HNNXBMFYSA-N 1 0 279.380 2.326 20 10 CECDRO CC[C@@H]([NH2+]C[C@@](C)(CO)OC)c1ccc(C)cc1O ZINC000848556370 642050827 /nfs/dbraw/zinc/05/08/27/642050827.db2.gz WCVNJWGYJJZRGT-HIFRSBDPSA-N 1 0 267.369 2.139 20 10 CECDRO CC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768450989 642100434 /nfs/dbraw/zinc/10/04/34/642100434.db2.gz KYMOPICSBJEAQF-SMDDNHRTSA-N 1 0 263.337 2.192 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c1O ZINC000848894953 642175466 /nfs/dbraw/zinc/17/54/66/642175466.db2.gz ITYNSGJPHARXOJ-ZIAGYGMSSA-N 1 0 292.423 2.153 20 10 CECDRO CCc1cccc(C[NH2+]CCCN2CCCCC2=O)c1O ZINC000848894329 642175541 /nfs/dbraw/zinc/17/55/41/642175541.db2.gz CNHWBIHWLJAPNZ-UHFFFAOYSA-N 1 0 290.407 2.447 20 10 CECDRO CCc1cccc(C[NH2+]CC(=O)NC2CCCCC2)c1O ZINC000848894938 642176079 /nfs/dbraw/zinc/17/60/79/642176079.db2.gz IGWFVXHQOCEPPX-UHFFFAOYSA-N 1 0 290.407 2.493 20 10 CECDRO CCc1cccc(C[NH2+]C2CCN(C(=O)OC)CC2)c1O ZINC000848895821 642176187 /nfs/dbraw/zinc/17/61/87/642176187.db2.gz ZAJGRQITNJISDY-UHFFFAOYSA-N 1 0 292.379 2.275 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)CO[C@H]2CCOC2)c1O ZINC000848898546 642178245 /nfs/dbraw/zinc/17/82/45/642178245.db2.gz DWSBIVSJCWHNDT-WFASDCNBSA-N 1 0 279.380 2.238 20 10 CECDRO CCc1cccc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)c1O ZINC000848904441 642181174 /nfs/dbraw/zinc/18/11/74/642181174.db2.gz UBYXPMVYOVFWEM-STQMWFEESA-N 1 0 262.397 2.479 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](COC)C2)c1O ZINC000848905151 642181682 /nfs/dbraw/zinc/18/16/82/642181682.db2.gz HVTVLUBQZGOPQU-IUODEOHRSA-N 1 0 279.380 2.190 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H]2CCOC[C@H]2OC)c1O ZINC000848915846 642189344 /nfs/dbraw/zinc/18/93/44/642189344.db2.gz MNOXDLDWXXMIGO-UKRRQHHQSA-N 1 0 279.380 2.096 20 10 CECDRO Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCC2=O)c(O)c1 ZINC000877465844 650731724 /nfs/dbraw/zinc/73/17/24/650731724.db2.gz YXJQBXWBQUOSMN-CABCVRRESA-N 1 0 289.375 2.271 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)CN2CCOCC2)c(Cl)c1 ZINC000921543574 642217967 /nfs/dbraw/zinc/21/79/67/642217967.db2.gz FKJUTQNIJHEAQM-GFCCVEGCSA-N 1 0 298.814 2.164 20 10 CECDRO O[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921587148 642251737 /nfs/dbraw/zinc/25/17/37/642251737.db2.gz QJWCSDDZPFBZDG-GJZGRUSLSA-N 1 0 261.365 2.405 20 10 CECDRO COc1ccc(N2CC[C@@H](CNC(=[NH2+])NC(C)C)C2)cc1 ZINC000849044096 642253251 /nfs/dbraw/zinc/25/32/51/642253251.db2.gz SZMKNOXITGXAHF-ZDUSSCGKSA-N 1 0 290.411 2.044 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cnccn3)C2)cc1 ZINC000849322129 642327515 /nfs/dbraw/zinc/32/75/15/642327515.db2.gz OAVDFYRBYYNSGQ-UONOGXRCSA-N 1 0 298.390 2.415 20 10 CECDRO CN(C)c1ccc(CNCC2([NH3+])CCCC2)cc1F ZINC000849350078 642340471 /nfs/dbraw/zinc/34/04/71/642340471.db2.gz OYOUTPJYQVUMMR-UHFFFAOYSA-N 1 0 265.376 2.253 20 10 CECDRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921766813 642596261 /nfs/dbraw/zinc/59/62/61/642596261.db2.gz VXMORWHUXZJLGT-GJZGRUSLSA-N 1 0 288.391 2.145 20 10 CECDRO COC[C@@H](CC[NH2+]Cc1c(O)cc(C)cc1Cl)OC ZINC000850345744 642674308 /nfs/dbraw/zinc/67/43/08/642674308.db2.gz JKQHLOMVSUNHGW-LLVKDONJSA-N 1 0 287.787 2.495 20 10 CECDRO C=Cn1cc(C[NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000850345945 642675174 /nfs/dbraw/zinc/67/51/74/642675174.db2.gz AEFKXFPJGLAFNQ-HNNXBMFYSA-N 1 0 298.390 2.361 20 10 CECDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000850350262 642676287 /nfs/dbraw/zinc/67/62/87/642676287.db2.gz ABTBNUJSDSNPNO-LBPRGKRZSA-N 1 0 292.379 2.083 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C1(CO)CC1 ZINC000850361177 642682077 /nfs/dbraw/zinc/68/20/77/642682077.db2.gz OEOLGOLMUXLNNK-LLVKDONJSA-N 1 0 266.360 2.142 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1C ZINC000850367778 642684134 /nfs/dbraw/zinc/68/41/34/642684134.db2.gz DHBRCFAUTKZXDR-OCCSQVGLSA-N 1 0 297.420 2.059 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)cc1C ZINC000850388371 642695871 /nfs/dbraw/zinc/69/58/71/642695871.db2.gz LVIXMJIIORILOE-GJZGRUSLSA-N 1 0 261.365 2.397 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCc2cncc(C)n2)c1 ZINC000850390561 642697482 /nfs/dbraw/zinc/69/74/82/642697482.db2.gz JIZAPCBJFWITKV-UHFFFAOYSA-N 1 0 287.363 2.222 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)C2)cc1 ZINC000850488938 642730027 /nfs/dbraw/zinc/73/00/27/642730027.db2.gz PQABYAIENUNRKE-IHRRRGAJSA-N 1 0 278.396 2.287 20 10 CECDRO COC[C@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000850489973 642730616 /nfs/dbraw/zinc/73/06/16/642730616.db2.gz ZGDRAMIUHPMDLE-PBHICJAKSA-N 1 0 290.407 2.289 20 10 CECDRO CC[C@@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000850529756 642743508 /nfs/dbraw/zinc/74/35/08/642743508.db2.gz SRANUMIRXQFOQA-IQJOONFLSA-N 1 0 253.317 2.440 20 10 CECDRO C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)[S@](C)=O ZINC000921862883 642762372 /nfs/dbraw/zinc/76/23/72/642762372.db2.gz UJRABXAKXWQTKP-BUXKBTBVSA-N 1 0 281.421 2.258 20 10 CECDRO Cc1ccc(C[NH+]2CCC3(CC2)OCCCO3)c(O)c1 ZINC000877553122 650784098 /nfs/dbraw/zinc/78/40/98/650784098.db2.gz ZRARYMQBGROVBA-UHFFFAOYSA-N 1 0 277.364 2.430 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877564074 650791288 /nfs/dbraw/zinc/79/12/88/650791288.db2.gz XLGRHPSXBJMNIS-OLZOCXBDSA-N 1 0 263.337 2.132 20 10 CECDRO COCC[C@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCOC1 ZINC000922071428 642864696 /nfs/dbraw/zinc/86/46/96/642864696.db2.gz YPSVADSHJFSAML-KRWDZBQOSA-N 1 0 291.391 2.297 20 10 CECDRO COC(OC)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922314701 643022247 /nfs/dbraw/zinc/02/22/47/643022247.db2.gz PQUHJDCBYCQLLR-NSHDSACASA-N 1 0 265.353 2.109 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)O1 ZINC000851792780 643163943 /nfs/dbraw/zinc/16/39/43/643163943.db2.gz SRJQOHQBUUMDNQ-ZDUSSCGKSA-N 1 0 263.337 2.310 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000877622720 650818973 /nfs/dbraw/zinc/81/89/73/650818973.db2.gz BLZAJLILMUEGOL-QHRIQVFBSA-N 1 0 281.421 2.480 20 10 CECDRO Cc1cc(CC[NH2+]Cc2ccc(N(C)C)c(F)c2)nn1C ZINC000922688289 643204585 /nfs/dbraw/zinc/20/45/85/643204585.db2.gz OGKKFJGUOKQBLT-UHFFFAOYSA-N 1 0 290.386 2.266 20 10 CECDRO COc1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)on1 ZINC000851902405 643216440 /nfs/dbraw/zinc/21/64/40/643216440.db2.gz QIKDAATZXHCRKP-SECBINFHSA-N 1 0 278.308 2.248 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC000922725584 643226494 /nfs/dbraw/zinc/22/64/94/643226494.db2.gz YQUFCTXEKGKCJF-BJJXKVORSA-N 1 0 289.375 2.472 20 10 CECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CNC(=O)C1 ZINC000852019101 643268288 /nfs/dbraw/zinc/26/82/88/643268288.db2.gz UQCAPUNSJDOBLW-ZDUSSCGKSA-N 1 0 276.380 2.130 20 10 CECDRO c1cc2c(cc1C[NH2+]CC1CC3(C1)OCCO3)CCCO2 ZINC000922803483 643271781 /nfs/dbraw/zinc/27/17/81/643271781.db2.gz XGGMAJMTTNHHKK-UHFFFAOYSA-N 1 0 289.375 2.254 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC3CC2(C[NH3+])C3)c1O ZINC000852756313 643539254 /nfs/dbraw/zinc/53/92/54/643539254.db2.gz CZWCOADEHRORIW-UHFFFAOYSA-N 1 0 294.782 2.171 20 10 CECDRO O=C(C=C1CC[NH2+]CC1)NCc1ccc(N2CCCC2)cc1 ZINC000852860636 643580918 /nfs/dbraw/zinc/58/09/18/643580918.db2.gz TWCHAADGJUTILL-UHFFFAOYSA-N 1 0 299.418 2.213 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000852883848 643587908 /nfs/dbraw/zinc/58/79/08/643587908.db2.gz PQOTYEBRPPXECJ-SHTZXODSSA-N 1 0 289.423 2.227 20 10 CECDRO CC[C@]1(O)CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000877692631 650853743 /nfs/dbraw/zinc/85/37/43/650853743.db2.gz MJOJPLBILOSHJM-INIZCTEOSA-N 1 0 262.397 2.490 20 10 CECDRO Cc1cc(CN2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1N(C)C ZINC000923417065 643699079 /nfs/dbraw/zinc/69/90/79/643699079.db2.gz UEDLJESNNGTWQC-DOTOQJQBSA-N 1 0 273.424 2.387 20 10 CECDRO C[C@H]1CCOCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000774661144 643804268 /nfs/dbraw/zinc/80/42/68/643804268.db2.gz VKHNPWOJVIELEN-LBPRGKRZSA-N 1 0 261.365 2.492 20 10 CECDRO COC(=O)C1CC([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000877723545 650871673 /nfs/dbraw/zinc/87/16/73/650871673.db2.gz LUZSAMUFXDABGD-UHFFFAOYSA-N 1 0 283.755 2.395 20 10 CECDRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(Br)cc1O ZINC000854232170 644018514 /nfs/dbraw/zinc/01/85/14/644018514.db2.gz NVBVIRLDNDTUBK-IUCAKERBSA-N 1 0 287.201 2.413 20 10 CECDRO C[NH+]1CCC2(CCN(C(=O)C3=CC(=O)CS3)C2)CC1 ZINC000854497889 644071347 /nfs/dbraw/zinc/07/13/47/644071347.db2.gz BQTDJSAAADNAMZ-UHFFFAOYSA-N 1 0 280.393 2.012 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@@H](OCC)C2)c1 ZINC000839147504 644157892 /nfs/dbraw/zinc/15/78/92/644157892.db2.gz KUMRMEYZEHKOPT-XBXGTLAGSA-N 1 0 265.353 2.448 20 10 CECDRO CC(C)(O)C1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000839139179 644170670 /nfs/dbraw/zinc/17/06/70/644170670.db2.gz CXKRJGFRIZEUKS-UHFFFAOYSA-N 1 0 255.745 2.248 20 10 CECDRO COc1cccc(C[NH+]2CC3(C2)CCOCC3)c1O ZINC000839141780 644172962 /nfs/dbraw/zinc/17/29/62/644172962.db2.gz ZXHJNFGPIWNWCW-UHFFFAOYSA-N 1 0 263.337 2.013 20 10 CECDRO CC1(C)C[NH2+]CCN1Cc1cc(Br)ccc1O ZINC000220291651 644264563 /nfs/dbraw/zinc/26/45/63/644264563.db2.gz JKJJQTAXMAGQQZ-UHFFFAOYSA-N 1 0 299.212 2.339 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC[C@@H](O)C2CCCC2)c1 ZINC000877778695 650907356 /nfs/dbraw/zinc/90/73/56/650907356.db2.gz RADOWJMDCYHZTN-MRXNPFEDSA-N 1 0 279.380 2.432 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCOC2)cc1F ZINC000113338921 644356893 /nfs/dbraw/zinc/35/68/93/644356893.db2.gz OYKOJDMTNFKQDV-LBPRGKRZSA-N 1 0 252.333 2.160 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1O ZINC000754748431 644423838 /nfs/dbraw/zinc/42/38/38/644423838.db2.gz LYVIFGNLGGFPIY-OCCSQVGLSA-N 1 0 279.380 2.445 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)cc(C)c2O)C[C@H]1C ZINC000754740364 644423847 /nfs/dbraw/zinc/42/38/47/644423847.db2.gz QTRUCHNIZIZNJT-TZMCWYRMSA-N 1 0 277.364 2.250 20 10 CECDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2cccc(OC)c2O)C1 ZINC000877829523 650925313 /nfs/dbraw/zinc/92/53/13/650925313.db2.gz VXIDIJNAJVLELL-LLVKDONJSA-N 1 0 293.363 2.032 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c(O)c1 ZINC000877835172 650928016 /nfs/dbraw/zinc/92/80/16/650928016.db2.gz IYGBPQKKWOZGSM-CYBMUJFWSA-N 1 0 279.380 2.384 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@]1(C)CCCO1 ZINC000756134887 644608972 /nfs/dbraw/zinc/60/89/72/644608972.db2.gz SKAIQJXPDZZNMA-AWEZNQCLSA-N 1 0 251.326 2.060 20 10 CECDRO C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(F)cc(F)c1[O-] ZINC000756341687 644632245 /nfs/dbraw/zinc/63/22/45/644632245.db2.gz JEUGQJCXTPNICW-SECBINFHSA-N 1 0 258.312 2.273 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COCC2CC2)c(O)c1 ZINC000756509358 644656758 /nfs/dbraw/zinc/65/67/58/644656758.db2.gz AWSMBKFZKCYSCE-OCCSQVGLSA-N 1 0 279.380 2.139 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CCC(=O)N(C)C)c2c1c(F)ccc2O ZINC000756517982 644657893 /nfs/dbraw/zinc/65/78/93/644657893.db2.gz RTYPBTQUGIEZLX-MWLCHTKSSA-N 1 0 280.343 2.148 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc2c(cc1O)CCCC2 ZINC000756528721 644658609 /nfs/dbraw/zinc/65/86/09/644658609.db2.gz VYZDYAIGRWPABG-BXUZGUMPSA-N 1 0 288.391 2.152 20 10 CECDRO C[C@H]([NH2+][C@H]1CCN(C)C1)c1cc(Cl)ccc1O ZINC000756533548 644659939 /nfs/dbraw/zinc/65/99/39/644659939.db2.gz IOMJWCFLJDVCFQ-ONGXEEELSA-N 1 0 254.761 2.400 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c(O)c1 ZINC000756542560 644660969 /nfs/dbraw/zinc/66/09/69/644660969.db2.gz BIRMEUWWDYKFJB-KBPBESRZSA-N 1 0 278.396 2.072 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)c(O)c1 ZINC000756738308 644688403 /nfs/dbraw/zinc/68/84/03/644688403.db2.gz NUMAFTSXYBUJDH-WBMJQRKESA-N 1 0 279.380 2.139 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CN(C)CCO2)c(O)c1C ZINC000756757866 644689467 /nfs/dbraw/zinc/68/94/67/644689467.db2.gz FWCCERPFHNHHBV-SQWLQELKSA-N 1 0 292.423 2.379 20 10 CECDRO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3)C2)[nH]1 ZINC000839658196 644764843 /nfs/dbraw/zinc/76/48/43/644764843.db2.gz DKRIFVBMIMALRA-CQSZACIVSA-N 1 0 285.395 2.169 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)cc1C ZINC000857061109 644805561 /nfs/dbraw/zinc/80/55/61/644805561.db2.gz KANXBYMLXYHMRA-XHDPSFHLSA-N 1 0 263.381 2.459 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000857083909 644812370 /nfs/dbraw/zinc/81/23/70/644812370.db2.gz APQNZKZRMSOLNZ-TZMCWYRMSA-N 1 0 276.380 2.280 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000857084596 644813506 /nfs/dbraw/zinc/81/35/06/644813506.db2.gz XLNYOVBQVSUBDL-GXTWGEPZSA-N 1 0 276.380 2.280 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CCCn2ccnn2)c2c1c(F)ccc2O ZINC000757656499 644831582 /nfs/dbraw/zinc/83/15/82/644831582.db2.gz IXCQIBOMCZNEQF-JQWIXIFHSA-N 1 0 290.342 2.351 20 10 CECDRO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cc(F)ccc1O ZINC000757706519 644838639 /nfs/dbraw/zinc/83/86/39/644838639.db2.gz WCDSGMWUGLXSAI-SECBINFHSA-N 1 0 269.316 2.333 20 10 CECDRO OC[C@H]([NH2+]Cc1c(O)cccc1Br)C1CC1 ZINC000858137934 645071711 /nfs/dbraw/zinc/07/17/11/645071711.db2.gz ISUXHXAYAAQYTQ-NSHDSACASA-N 1 0 286.169 2.015 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C[C@](C)(O)C2CC2)cc1F ZINC000858134287 645072068 /nfs/dbraw/zinc/07/20/68/645072068.db2.gz NWNAPIAYOJYPPL-HNNXBMFYSA-N 1 0 284.350 2.281 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@H](CCO)C2CC2)cc1F ZINC000858145191 645074302 /nfs/dbraw/zinc/07/43/02/645074302.db2.gz YUTVFHZXNBXVQC-CQSZACIVSA-N 1 0 284.350 2.281 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@](C)(CO)C2CC2)cc1F ZINC000858149831 645076238 /nfs/dbraw/zinc/07/62/38/645076238.db2.gz XCTHOIYYHUWCSU-HNNXBMFYSA-N 1 0 284.350 2.281 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)cc1F ZINC000809742618 645084114 /nfs/dbraw/zinc/08/41/14/645084114.db2.gz AYVFFEZCNNNZAV-LBPRGKRZSA-N 1 0 294.292 2.295 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)cc1 ZINC000858226748 645092942 /nfs/dbraw/zinc/09/29/42/645092942.db2.gz PGIZVKAMCLKAGQ-IRXDYDNUSA-N 1 0 292.423 2.162 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](OC)C2)c1 ZINC000858322552 645117755 /nfs/dbraw/zinc/11/77/55/645117755.db2.gz ZYQDGTSDZQTHRQ-AULYBMBSSA-N 1 0 251.326 2.058 20 10 CECDRO CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000858468186 645170680 /nfs/dbraw/zinc/17/06/80/645170680.db2.gz CNYSOVUMKGMPSJ-ULQDDVLXSA-N 1 0 292.423 2.333 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H](CO)CC2CC2)c1O ZINC000761216616 645258438 /nfs/dbraw/zinc/25/84/38/645258438.db2.gz UVNIGWBQEXOAPG-GFCCVEGCSA-N 1 0 285.771 2.305 20 10 CECDRO CN(Cc1cncnc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761222844 645259078 /nfs/dbraw/zinc/25/90/78/645259078.db2.gz WVOMCBFKECRFBE-UHFFFAOYSA-N 1 0 286.379 2.053 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2Cc3cccc(O)c3C2)c1 ZINC000763481072 645550025 /nfs/dbraw/zinc/55/00/25/645550025.db2.gz QMSPZPJNNFBWQD-ZDUSSCGKSA-N 1 0 285.343 2.363 20 10 CECDRO Cc1cccc(C[N@H+]2CC[C@H](C)[S@](=O)CC2)c1O ZINC000763491059 645550945 /nfs/dbraw/zinc/55/09/45/645550945.db2.gz MKLUAOLWNWGYEE-KPZWWZAWSA-N 1 0 267.394 2.044 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000766435876 645886567 /nfs/dbraw/zinc/88/65/67/645886567.db2.gz BJVONMVJVRJFTI-JKSUJKDBSA-N 1 0 289.423 2.414 20 10 CECDRO CCCC[N@H+](CCOC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768450546 646125480 /nfs/dbraw/zinc/12/54/80/646125480.db2.gz KGKMNPVRMWXIGG-HNNXBMFYSA-N 1 0 295.379 2.067 20 10 CECDRO CC[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464196 646126798 /nfs/dbraw/zinc/12/67/98/646126798.db2.gz ODTCSGVSHMRFQT-IINYFYTJSA-N 1 0 263.337 2.050 20 10 CECDRO C[C@@H]([N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O)C1(C)CC1 ZINC000768463646 646126900 /nfs/dbraw/zinc/12/69/00/646126900.db2.gz KWTAFDQCZGECTJ-QMTHXVAHSA-N 1 0 277.364 2.438 20 10 CECDRO Oc1cc2c(cc1C[N@H+]1C[C@@H]3CCCC[C@@H]3C1)[C@@H](O)CO2 ZINC000768465249 646127904 /nfs/dbraw/zinc/12/79/04/646127904.db2.gz YQQMPBBACLSBMJ-OZVIIMIRSA-N 1 0 289.375 2.440 20 10 CECDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464967 646128153 /nfs/dbraw/zinc/12/81/53/646128153.db2.gz CYFPAXZRQTYXBI-NVBFEUDRSA-N 1 0 277.364 2.438 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1C ZINC000768465200 646128579 /nfs/dbraw/zinc/12/85/79/646128579.db2.gz YNNSFAYHGUBEGW-ISTVAULSSA-N 1 0 263.337 2.048 20 10 CECDRO COc1cccc(O)c1CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000768545751 646138451 /nfs/dbraw/zinc/13/84/51/646138451.db2.gz CQBCBSYZAFGBQX-CYBMUJFWSA-N 1 0 278.396 2.174 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)cc1 ZINC000768841664 646171401 /nfs/dbraw/zinc/17/14/01/646171401.db2.gz MRDXQNVVDIODRF-OAHLLOKOSA-N 1 0 288.391 2.286 20 10 CECDRO CCOC(=O)CC[N@H+](Cc1c(O)cccc1OC)C1CC1 ZINC000769121197 646210758 /nfs/dbraw/zinc/21/07/58/646210758.db2.gz DQIPYQCDBAUDKF-UHFFFAOYSA-N 1 0 293.363 2.318 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCOC2(CCC2)C1 ZINC000769485128 646275720 /nfs/dbraw/zinc/27/57/20/646275720.db2.gz YTSALUNLYWUUBT-UHFFFAOYSA-N 1 0 263.337 2.156 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC)c(O)c1 ZINC000769483441 646276066 /nfs/dbraw/zinc/27/60/66/646276066.db2.gz NFVJDWWEMYHYDL-ZDUSSCGKSA-N 1 0 293.363 2.318 20 10 CECDRO OC[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862232633 646371565 /nfs/dbraw/zinc/37/15/65/646371565.db2.gz FKPAOQVUNKBRIP-VIFPVBQESA-N 1 0 286.169 2.111 20 10 CECDRO CCOc1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c(O)c1 ZINC000770291259 646377153 /nfs/dbraw/zinc/37/71/53/646377153.db2.gz FRMVLVNITDECOV-IUODEOHRSA-N 1 0 279.380 2.384 20 10 CECDRO CCOc1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c(O)c1 ZINC000770291254 646377233 /nfs/dbraw/zinc/37/72/33/646377233.db2.gz FRMVLVNITDECOV-DOMZBBRYSA-N 1 0 279.380 2.384 20 10 CECDRO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862308450 646400368 /nfs/dbraw/zinc/40/03/68/646400368.db2.gz ARXJEYNXINPZKO-QWRGUYRKSA-N 1 0 284.350 2.234 20 10 CECDRO CN(C)c1cc(F)c(C[N@H+](C)C[C@@H](O)C2CC2)cc1F ZINC000862367652 646418074 /nfs/dbraw/zinc/41/80/74/646418074.db2.gz QBQZWOHBKGNLSB-OAHLLOKOSA-N 1 0 284.350 2.234 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2cccc(C)c2O)CC1 ZINC000770665195 646423159 /nfs/dbraw/zinc/42/31/59/646423159.db2.gz GKADRSCAEVVVLF-UHFFFAOYSA-N 1 0 263.337 2.134 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CC=C(C(=O)OC)C2)c1O ZINC000862464706 646468297 /nfs/dbraw/zinc/46/82/97/646468297.db2.gz GPGDJUDFPPQHFQ-CYBMUJFWSA-N 1 0 291.347 2.142 20 10 CECDRO Cc1ccc(O)c(CNC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000862755349 646556689 /nfs/dbraw/zinc/55/66/89/646556689.db2.gz FJOSWNMWOBYQPX-UHFFFAOYSA-N 1 0 288.391 2.191 20 10 CECDRO Cc1ccc(O)c(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000862756386 646557914 /nfs/dbraw/zinc/55/79/14/646557914.db2.gz WWGIGIQATIDLLV-STQMWFEESA-N 1 0 276.380 2.047 20 10 CECDRO COc1cccc(O)c1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000772598897 646647704 /nfs/dbraw/zinc/64/77/04/646647704.db2.gz IXFONSIUXKCDJA-PHIMTYICSA-N 1 0 251.326 2.010 20 10 CECDRO C[C@@H]1COCCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000772821718 646677633 /nfs/dbraw/zinc/67/76/33/646677633.db2.gz NQSMYQDELLJPGU-GFCCVEGCSA-N 1 0 261.365 2.492 20 10 CECDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000773021985 646697244 /nfs/dbraw/zinc/69/72/44/646697244.db2.gz AGWQRLIAAAIVKG-KGLIPLIRSA-N 1 0 280.412 2.455 20 10 CECDRO C[C@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2C)c2c1c(F)ccc2O ZINC000863546100 646753235 /nfs/dbraw/zinc/75/32/35/646753235.db2.gz DJSDIGRXLDDGIX-GAIPPQHRSA-N 1 0 264.344 2.420 20 10 CECDRO COc1ccc(O)c([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863547072 646754117 /nfs/dbraw/zinc/75/41/17/646754117.db2.gz OQYVRJZHOKMKHC-SDDRHHMPSA-N 1 0 264.369 2.192 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CC(N)=O)C2CCCC2)cc1 ZINC000773747916 646772184 /nfs/dbraw/zinc/77/21/84/646772184.db2.gz LAOBQGMRWKOHCD-UHFFFAOYSA-N 1 0 289.423 2.373 20 10 CECDRO CC[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccccc1O ZINC000775503362 646960803 /nfs/dbraw/zinc/96/08/03/646960803.db2.gz GHPDAMJJNXIOBG-ZFWWWQNUSA-N 1 0 279.380 2.486 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)COCCOC)c1ccccc1O ZINC000775527219 646963024 /nfs/dbraw/zinc/96/30/24/646963024.db2.gz PCOVTIFEBZXSBY-TZMCWYRMSA-N 1 0 267.369 2.484 20 10 CECDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)CS(C)(=O)=O ZINC000775826775 646996688 /nfs/dbraw/zinc/99/66/88/646996688.db2.gz HHGFFQWYLAHMLU-OLZOCXBDSA-N 1 0 298.452 2.084 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)c1O ZINC000775981343 647013211 /nfs/dbraw/zinc/01/32/11/647013211.db2.gz PNLOAFFFRLBDNL-STQMWFEESA-N 1 0 278.396 2.315 20 10 CECDRO [NH2+]=C(NCCC1CC1)NCc1cc(Cl)ccc1O ZINC000864468075 647022251 /nfs/dbraw/zinc/02/22/51/647022251.db2.gz AQZDUTRKTSGSLE-UHFFFAOYSA-N 1 0 267.760 2.460 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776253287 647042279 /nfs/dbraw/zinc/04/22/79/647042279.db2.gz VBOIREYJAUJRPM-CHWSQXEVSA-N 1 0 296.798 2.358 20 10 CECDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000777219710 647121538 /nfs/dbraw/zinc/12/15/38/647121538.db2.gz MUJIQMLAXZVBRI-LBPRGKRZSA-N 1 0 278.396 2.436 20 10 CECDRO OCC[N@H+](Cc1cc(F)ccc1O)C1CCCC1 ZINC000778988293 647279497 /nfs/dbraw/zinc/27/94/97/647279497.db2.gz GGDLBIUGPAOGHH-UHFFFAOYSA-N 1 0 253.317 2.268 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2C[C@@H](CO)C2)cc1 ZINC000865662806 647412777 /nfs/dbraw/zinc/41/27/77/647412777.db2.gz GGXYELFMFKVBFB-MRINAFOASA-N 1 0 260.381 2.126 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c(O)c1 ZINC000865690686 647424976 /nfs/dbraw/zinc/42/49/76/647424976.db2.gz LNJFEAYISYEESK-UHIISALHSA-N 1 0 265.353 2.446 20 10 CECDRO C[C@@H]([NH2+]CCCN1CCCCC1=O)c1ccccc1O ZINC000783509799 647723303 /nfs/dbraw/zinc/72/33/03/647723303.db2.gz SZRIUQLXRNZOQB-CYBMUJFWSA-N 1 0 276.380 2.445 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000783594692 647734623 /nfs/dbraw/zinc/73/46/23/647734623.db2.gz HWCCISGWZCZHST-UHFFFAOYSA-N 1 0 263.337 2.013 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c1O ZINC000783738380 647754630 /nfs/dbraw/zinc/75/46/30/647754630.db2.gz SYLMFSYUQAUFJL-SDDRHHMPSA-N 1 0 265.353 2.399 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000866463644 647796277 /nfs/dbraw/zinc/79/62/77/647796277.db2.gz OPSFALXZODBGGS-YVZVNANGSA-N 1 0 293.285 2.363 20 10 CECDRO C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(N(C)C)cc1 ZINC000866494009 647804491 /nfs/dbraw/zinc/80/44/91/647804491.db2.gz GBUWWMZFOOHNBB-ZDUSSCGKSA-N 1 0 297.406 2.082 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CN(c3ccncn3)C2)c1 ZINC000866495637 647805404 /nfs/dbraw/zinc/80/54/04/647805404.db2.gz GFGFLKXTGUSMEE-GFCCVEGCSA-N 1 0 284.363 2.030 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCCCS2(=O)=O)cc1C ZINC000784621732 647870613 /nfs/dbraw/zinc/87/06/13/647870613.db2.gz URTHQTQZPGVFJY-CQSZACIVSA-N 1 0 297.420 2.066 20 10 CECDRO C[N@H+](CCC1CCOCC1)Cc1cc2c(cc1O)OCO2 ZINC000121232271 647896293 /nfs/dbraw/zinc/89/62/93/647896293.db2.gz IUNPHTWTIRYJJI-UHFFFAOYSA-N 1 0 293.363 2.369 20 10 CECDRO COC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@@H]1CCCO1 ZINC000788534686 647999664 /nfs/dbraw/zinc/99/96/64/647999664.db2.gz IEMHULIANNNXDB-ZBFHGGJFSA-N 1 0 279.380 2.293 20 10 CECDRO CO[C@@H](CC[NH2+]Cc1ccccc1O)C(F)(F)F ZINC000786824608 648048202 /nfs/dbraw/zinc/04/82/02/648048202.db2.gz XFTADAVIQBJMPM-NSHDSACASA-N 1 0 263.259 2.449 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)CO)c1 ZINC000122027971 648055842 /nfs/dbraw/zinc/05/58/42/648055842.db2.gz VXXRHAIVICKJJS-JTQLQIEISA-N 1 0 253.342 2.070 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCC2CS(=O)(=O)C2)c(O)c1C ZINC000786950786 648059652 /nfs/dbraw/zinc/05/96/52/648059652.db2.gz QTCDHGOXISQTKI-LBPRGKRZSA-N 1 0 297.420 2.094 20 10 CECDRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1ccccc1O ZINC000868353621 648105445 /nfs/dbraw/zinc/10/54/45/648105445.db2.gz MWWFFNWIKVJPSX-OLZOCXBDSA-N 1 0 293.411 2.483 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](O)C(F)(F)F)cc1C ZINC000788975228 648240586 /nfs/dbraw/zinc/24/05/86/648240586.db2.gz HMKBXOQPENUJJY-NSHDSACASA-N 1 0 263.259 2.022 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000790762179 648445428 /nfs/dbraw/zinc/44/54/28/648445428.db2.gz OPLQBBVUSVXUJV-IJLUTSLNSA-N 1 0 293.363 2.393 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(OC)C2)cc1OC ZINC000793217755 648725067 /nfs/dbraw/zinc/72/50/67/648725067.db2.gz PJUNPBLUQHAYFG-INIZCTEOSA-N 1 0 295.379 2.410 20 10 CECDRO Cc1cc(O)c(C[NH2+]C(C)(C)C(=O)N2CCCC2)cc1C ZINC000793394044 648749910 /nfs/dbraw/zinc/74/99/10/648749910.db2.gz ILSNMCNSUBBIGR-UHFFFAOYSA-N 1 0 290.407 2.500 20 10 CECDRO C[C@H](NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)c1ccccc1O ZINC000870988495 648971051 /nfs/dbraw/zinc/97/10/51/648971051.db2.gz QRXBUGPRYXNQGP-ZLKJLUDKSA-N 1 0 274.364 2.100 20 10 CECDRO CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000872251467 649329232 /nfs/dbraw/zinc/32/92/32/649329232.db2.gz JHWHRVZIVVHOQC-GFCCVEGCSA-N 1 0 266.360 2.399 20 10 CECDRO CN1CC[N@H+](Cc2ccccc2O)Cc2cccnc21 ZINC000872265335 649333917 /nfs/dbraw/zinc/33/39/17/649333917.db2.gz OQNDGIKBRRWHIH-UHFFFAOYSA-N 1 0 269.348 2.239 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H](CCO)COC)cc1C ZINC000873058044 649545910 /nfs/dbraw/zinc/54/59/10/649545910.db2.gz IHCVOTKAVKKBPD-HNNXBMFYSA-N 1 0 281.396 2.271 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H](CC)C(=O)NC)cc1C ZINC000873129672 649565256 /nfs/dbraw/zinc/56/52/56/649565256.db2.gz PSUVXZJOENPHNS-CQSZACIVSA-N 1 0 278.396 2.398 20 10 CECDRO COc1cc(O)c(CN2CCCCC[C@H]([NH3+])C2)cc1OC ZINC000873216819 649594222 /nfs/dbraw/zinc/59/42/22/649594222.db2.gz YLIQOMFNRNUENF-ZDUSSCGKSA-N 1 0 294.395 2.113 20 10 CECDRO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)on1 ZINC000879649312 651335191 /nfs/dbraw/zinc/33/51/91/651335191.db2.gz QILPLDACNGOXCK-GHMZBOCLSA-N 1 0 289.335 2.366 20 10 CECDRO C[C@@H]([NH2+]CCC(=O)Nc1cccnc1)c1ccccc1O ZINC000879648853 651335232 /nfs/dbraw/zinc/33/52/32/651335232.db2.gz CMJGFSKFGAXFFM-GFCCVEGCSA-N 1 0 285.347 2.467 20 10 CECDRO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879652709 651336001 /nfs/dbraw/zinc/33/60/01/651336001.db2.gz GPPZHYIPEOPTFW-NSHDSACASA-N 1 0 264.369 2.348 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](CC(C)C)C(N)=O)cc1 ZINC000880589856 651466945 /nfs/dbraw/zinc/46/69/45/651466945.db2.gz GDNTYBSDHBUCPM-INIZCTEOSA-N 1 0 291.439 2.475 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[C@H]1CC[NH2+]C1 ZINC000128879830 651628874 /nfs/dbraw/zinc/62/88/74/651628874.db2.gz WLMKLVFPFPLWHL-CYBMUJFWSA-N 1 0 276.380 2.130 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(N(C)C)cc1 ZINC000129855767 652186445 /nfs/dbraw/zinc/18/64/45/652186445.db2.gz DFLFUXDFKJEHOH-CXAGYDPISA-N 1 0 292.423 2.191 20 10 CECDRO Cc1cncnc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882880027 652246349 /nfs/dbraw/zinc/24/63/49/652246349.db2.gz YLTLDSPGRJDEJF-UHFFFAOYSA-N 1 0 297.406 2.149 20 10 CECDRO C[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000131145234 652386399 /nfs/dbraw/zinc/38/63/99/652386399.db2.gz MCAAHHGIKMRZHN-VXGBXAGGSA-N 1 0 298.814 2.208 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccccc1O ZINC000883277007 652421913 /nfs/dbraw/zinc/42/19/13/652421913.db2.gz SODRYWFSHHGBRW-OCCSQVGLSA-N 1 0 275.348 2.487 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c1[O-] ZINC000883442912 652472116 /nfs/dbraw/zinc/47/21/16/652472116.db2.gz VWHJRZDGMIUNNC-CHWSQXEVSA-N 1 0 296.798 2.464 20 10 CECDRO C[C@H]1CCC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)O1 ZINC000688879043 805984942 /nfs/dbraw/zinc/98/49/42/805984942.db2.gz NXAXPCRZPZTADO-CMPLNLGQSA-N 1 0 279.336 2.168 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000229588089 806076220 /nfs/dbraw/zinc/07/62/20/806076220.db2.gz UAVYJSXNLYXWRT-RYUDHWBXSA-N 1 0 276.380 2.317 20 10 CECDRO Oc1cc(F)c(F)cc1CN1CC([NH+]2CCCCC2)C1 ZINC001142527544 806620758 /nfs/dbraw/zinc/62/07/58/806620758.db2.gz YPTAWYQHMHARFW-UHFFFAOYSA-N 1 0 282.334 2.341 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC[C@@H]1O ZINC001140462898 802937041 /nfs/dbraw/zinc/93/70/41/802937041.db2.gz NPDZMEOTBDZKMQ-SKDRFNHKSA-N 1 0 255.745 2.248 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000690727116 803031428 /nfs/dbraw/zinc/03/14/28/803031428.db2.gz PBIWEXKANGCGRH-LLVKDONJSA-N 1 0 261.243 2.045 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@]13C[C@H]1CCC3)OCO2 ZINC000693633550 803200092 /nfs/dbraw/zinc/20/00/92/803200092.db2.gz WQWCCFSRCBUOLE-ABAIWWIYSA-N 1 0 261.321 2.401 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724814796 803301811 /nfs/dbraw/zinc/30/18/11/803301811.db2.gz VPLBGMNMGHCRQS-YGRLFVJLSA-N 1 0 251.301 2.142 20 10 CECDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2C[C@H]2C)cc1C ZINC001267342906 803389773 /nfs/dbraw/zinc/38/97/73/803389773.db2.gz HCEOACNRFPWYOW-DOMZBBRYSA-N 1 0 290.407 2.208 20 10 CECDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2C[C@@H]2C)cc1C ZINC001267342909 803390607 /nfs/dbraw/zinc/39/06/07/803390607.db2.gz HCEOACNRFPWYOW-WFASDCNBSA-N 1 0 290.407 2.208 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c1O ZINC000724814771 803495312 /nfs/dbraw/zinc/49/53/12/803495312.db2.gz UVCFCKGWDAEKKX-JSGCOSHPSA-N 1 0 277.364 2.402 20 10 CECDRO COC[C@@H](CC[NH2+][C@@H](C)c1ccccc1O)OC ZINC000694239155 803522192 /nfs/dbraw/zinc/52/21/92/803522192.db2.gz XPANRNQTVGDLIS-NWDGAFQWSA-N 1 0 253.342 2.094 20 10 CECDRO c1csc(SCCC[NH2+]Cc2cn[nH]c2)n1 ZINC000393791454 803564224 /nfs/dbraw/zinc/56/42/24/803564224.db2.gz ZJLWAECGCHFAKU-UHFFFAOYSA-N 1 0 254.384 2.138 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1O ZINC000690799653 803617197 /nfs/dbraw/zinc/61/71/97/803617197.db2.gz RNVXJPSXECBTCK-UONOGXRCSA-N 1 0 277.364 2.259 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CC12CC2 ZINC000715241800 814951825 /nfs/dbraw/zinc/95/18/25/814951825.db2.gz XLHOBMHZNMFLAD-OAHLLOKOSA-N 1 0 258.365 2.165 20 10 CECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724982059 803817586 /nfs/dbraw/zinc/81/75/86/803817586.db2.gz JNIQYBUQPFEXSD-PDOTXMHQSA-N 1 0 270.376 2.490 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCCC23OCCO3)cc1C ZINC000715600454 814977332 /nfs/dbraw/zinc/97/73/32/814977332.db2.gz XSOVCCKDUVVFLB-HNNXBMFYSA-N 1 0 277.364 2.389 20 10 CECDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1=O ZINC000722355831 804352528 /nfs/dbraw/zinc/35/25/28/804352528.db2.gz HFARTLFKRFEZTR-GWCFXTLKSA-N 1 0 280.343 2.193 20 10 CECDRO CC(=O)N1CCC([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000037138519 815027027 /nfs/dbraw/zinc/02/70/27/815027027.db2.gz RXJZIGFOENZNCX-GFCCVEGCSA-N 1 0 276.380 2.362 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCCN(C)C1=O ZINC001118797356 815046026 /nfs/dbraw/zinc/04/60/26/815046026.db2.gz HMSVCAJKRZYEDZ-UPJWGTAASA-N 1 0 288.391 2.459 20 10 CECDRO CC(=O)N1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000037317963 815138589 /nfs/dbraw/zinc/13/85/89/815138589.db2.gz AQECYWBDUUVLBC-CYBMUJFWSA-N 1 0 289.423 2.414 20 10 CECDRO CC(=O)c1cc(O)c(O)cc1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001234474833 807672228 /nfs/dbraw/zinc/67/22/28/807672228.db2.gz XRKLLOMYDIXDBR-LLVKDONJSA-N 1 0 279.336 2.162 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)c1 ZINC000716775425 815146483 /nfs/dbraw/zinc/14/64/83/815146483.db2.gz VYEJFDXLUJQGQR-BXKDBHETSA-N 1 0 259.296 2.367 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COC[C@H]2C)c1 ZINC000699834561 807866052 /nfs/dbraw/zinc/86/60/52/807866052.db2.gz ITQWYBAWCRTVTA-GBIKHYSHSA-N 1 0 251.326 2.086 20 10 CECDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1cccc(C(F)(F)F)c1O)C2 ZINC001235997988 807917523 /nfs/dbraw/zinc/91/75/23/807917523.db2.gz ZZJBAOXTTAYQGM-ZWNOBZJWSA-N 1 0 286.297 2.334 20 10 CECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cccc(OC)c1O ZINC000716915330 815160042 /nfs/dbraw/zinc/16/00/42/815160042.db2.gz KHHHHSAMTOLZBI-CMPLNLGQSA-N 1 0 253.342 2.040 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C(COC)COC)cc1 ZINC000388393682 807933219 /nfs/dbraw/zinc/93/32/19/807933219.db2.gz FMEXRYZRFXWGMW-UHFFFAOYSA-N 1 0 280.412 2.284 20 10 CECDRO COc1ccc(C[NH2+]C2CC(C)C2)c(O)c1OC ZINC001119954751 815176295 /nfs/dbraw/zinc/17/62/95/815176295.db2.gz UAQMFBMDAVDMJH-UHFFFAOYSA-N 1 0 251.326 2.298 20 10 CECDRO C[C@@H]1CN(Cc2cc(F)c(Cl)cc2O)CC[N@@H+]1C ZINC001237949880 808268115 /nfs/dbraw/zinc/26/81/15/808268115.db2.gz NVJOQVCDLBNGAB-SECBINFHSA-N 1 0 272.751 2.321 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCON ZINC001120255690 815208613 /nfs/dbraw/zinc/20/86/13/815208613.db2.gz LXQVHAAPRGTCTF-GHMZBOCLSA-N 1 0 250.342 2.119 20 10 CECDRO Cc1ccnc(N2CC[NH+](Cc3ccc(N)cc3)CC2)c1 ZINC001120262846 815209092 /nfs/dbraw/zinc/20/90/92/815209092.db2.gz FPYHHJFFWVVOIT-UHFFFAOYSA-N 1 0 282.391 2.294 20 10 CECDRO CN1CC[C@@]2(CCC[N@@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001273108606 809220029 /nfs/dbraw/zinc/22/00/29/809220029.db2.gz WAVDUBFUGUMVSC-HNNXBMFYSA-N 1 0 294.782 2.242 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)c1nccnc1C[NH3+] ZINC001120828468 815282685 /nfs/dbraw/zinc/28/26/85/815282685.db2.gz QZCDNCSJSBEXRW-UHFFFAOYSA-N 1 0 285.395 2.028 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CC[C@@H]1CCSC1)OCO2 ZINC000704814441 809755467 /nfs/dbraw/zinc/75/54/67/809755467.db2.gz LUJRSAKXOKXJTO-SNVBAGLBSA-N 1 0 281.377 2.354 20 10 CECDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)C(F)F ZINC000704947154 809762361 /nfs/dbraw/zinc/76/23/61/809762361.db2.gz OWQNDJXHQOZNCJ-OAHLLOKOSA-N 1 0 284.350 2.393 20 10 CECDRO C[C@H](CCO)[NH2+]Cc1c(O)cccc1Br ZINC000706846447 809857710 /nfs/dbraw/zinc/85/77/10/809857710.db2.gz ITYLADOTDFWPJP-MRVPVSSYSA-N 1 0 274.158 2.015 20 10 CECDRO Oc1cccc(Br)c1C[NH2+]CCn1ccnc1 ZINC000706809030 809855831 /nfs/dbraw/zinc/85/58/31/809855831.db2.gz GZVXHFRGAIXKPC-UHFFFAOYSA-N 1 0 296.168 2.141 20 10 CECDRO COC[C@H](C)[NH2+]Cc1c(O)cccc1Br ZINC000706830379 809856908 /nfs/dbraw/zinc/85/69/08/809856908.db2.gz TZEVZJMSQQRTLI-QMMMGPOBSA-N 1 0 274.158 2.279 20 10 CECDRO Oc1cccc(Br)c1C[NH2+]C[C@H](O)C1CC1 ZINC000706863357 809858564 /nfs/dbraw/zinc/85/85/64/809858564.db2.gz FBBOGPKNPUCPRR-LBPRGKRZSA-N 1 0 286.169 2.015 20 10 CECDRO COc1ccc(C[NH2+]CCC2(C)OCCO2)cc1C ZINC000716054476 810234214 /nfs/dbraw/zinc/23/42/14/810234214.db2.gz PIKIPDSFUMSOLP-UHFFFAOYSA-N 1 0 265.353 2.246 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000606445381 810246827 /nfs/dbraw/zinc/24/68/27/810246827.db2.gz COIWCSHGOACOKG-OLZOCXBDSA-N 1 0 297.420 2.146 20 10 CECDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(N)cc1 ZINC001120263038 810615759 /nfs/dbraw/zinc/61/57/59/810615759.db2.gz ILLFKNUQADUIQN-UHFFFAOYSA-N 1 0 250.342 2.042 20 10 CECDRO CC[C@H]([NH2+]CCCn1cncn1)c1ccccc1O ZINC000381662644 810654681 /nfs/dbraw/zinc/65/46/81/810654681.db2.gz FBTSHTGLHFXOKY-ZDUSSCGKSA-N 1 0 260.341 2.115 20 10 CECDRO CCC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)OC ZINC000378848784 810676788 /nfs/dbraw/zinc/67/67/88/810676788.db2.gz UQKRUJGYSDVWKE-KRWDZBQOSA-N 1 0 292.423 2.428 20 10 CECDRO CCOCC(C)(C)[NH2+]Cc1cc(OC)ccc1O ZINC000379145192 810686507 /nfs/dbraw/zinc/68/65/07/810686507.db2.gz CLVLLXYOVXNHHS-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO C[NH+](C)CCn1ccc(NCc2c(O)cccc2Cl)n1 ZINC000119770251 810783933 /nfs/dbraw/zinc/78/39/33/810783933.db2.gz WHOUTYLBLMTUKG-UHFFFAOYSA-N 1 0 294.786 2.416 20 10 CECDRO CC(C)OCC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172438243 815436617 /nfs/dbraw/zinc/43/66/17/815436617.db2.gz NXAOARPBSLIIDR-LLVKDONJSA-N 1 0 283.368 2.139 20 10 CECDRO CC(C)OCC[C@@H](C)[NH2+]Cc1cccc(O)c1O ZINC001172442555 815438836 /nfs/dbraw/zinc/43/88/36/815438836.db2.gz LHZREHFBSPHJRL-LLVKDONJSA-N 1 0 253.342 2.391 20 10 CECDRO CCOC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2O)CC1 ZINC001169645413 811604229 /nfs/dbraw/zinc/60/42/29/811604229.db2.gz OGCTWRLIPWUWIZ-AWEZNQCLSA-N 1 0 292.379 2.493 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1O ZINC000691490647 811958481 /nfs/dbraw/zinc/95/84/81/811958481.db2.gz YUGOLPNGYPTWCI-HIFRSBDPSA-N 1 0 277.364 2.448 20 10 CECDRO COC1(CC[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000383973707 813109808 /nfs/dbraw/zinc/10/98/08/813109808.db2.gz FKOHDJJBWDQTQR-UHFFFAOYSA-N 1 0 279.336 2.170 20 10 CECDRO CC[C@@H]([NH2+]C(COC)COC)c1ccccc1O ZINC000388407202 813236754 /nfs/dbraw/zinc/23/67/54/813236754.db2.gz UNGZXJAFVACBPC-CYBMUJFWSA-N 1 0 253.342 2.094 20 10 CECDRO CCOc1cccc(C[NH2+]CC2(CC)COC2)c1O ZINC000393968940 813333514 /nfs/dbraw/zinc/33/35/14/813333514.db2.gz IPOVMORGHBXFHG-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](CO)C(C)C)c1 ZINC000394028013 813334322 /nfs/dbraw/zinc/33/43/22/813334322.db2.gz IFBNLBJBWGTOMR-RYUDHWBXSA-N 1 0 267.369 2.316 20 10 CECDRO CC(C)[C@@H](CO)C[NH2+]Cc1cc(Cl)ccc1O ZINC000394067746 813336084 /nfs/dbraw/zinc/33/60/84/813336084.db2.gz HKIQSIFCHGCZAY-LLVKDONJSA-N 1 0 257.761 2.400 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c1O ZINC000398174448 813660195 /nfs/dbraw/zinc/66/01/95/813660195.db2.gz VJEYAUXHGJBKFV-PWSUYJOCSA-N 1 0 251.326 2.058 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC001144499859 814089930 /nfs/dbraw/zinc/08/99/30/814089930.db2.gz MJSMVKBIRRUTQV-UHFFFAOYSA-N 1 0 271.316 2.362 20 10 CECDRO CSC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509003 814096393 /nfs/dbraw/zinc/09/63/93/814096393.db2.gz GZZRHIDKOYGBHR-UHFFFAOYSA-N 1 0 269.366 2.131 20 10 CECDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000712541339 814764683 /nfs/dbraw/zinc/76/46/83/814764683.db2.gz DPKFGAYMTDJWEP-CMPLNLGQSA-N 1 0 252.333 2.276 20 10 CECDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000714458733 814905465 /nfs/dbraw/zinc/90/54/65/814905465.db2.gz IYEUKZDKSCHUFR-UTUOFQBUSA-N 1 0 265.353 2.476 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)/C=C/C2CC2)cc1C ZINC001125242793 815643477 /nfs/dbraw/zinc/64/34/77/815643477.db2.gz JHABPTTZJQVFOC-SOFGYWHQSA-N 1 0 288.391 2.176 20 10 CECDRO COC(=O)CCCC[C@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC001173440471 815716614 /nfs/dbraw/zinc/71/66/14/815716614.db2.gz HKYAVBCXOXUKAA-NSHDSACASA-N 1 0 281.352 2.309 20 10 CECDRO CC(C)[N@@H+]1CCN(Cc2cccc(F)c2O)C[C@@H]1C ZINC001138130740 815736203 /nfs/dbraw/zinc/73/62/03/815736203.db2.gz GPFCRPWXOGSQBR-LBPRGKRZSA-N 1 0 266.360 2.446 20 10 CECDRO CN1CCCc2cc(C[NH+]3CCC(O)CC3)ccc21 ZINC001138354052 815773124 /nfs/dbraw/zinc/77/31/24/815773124.db2.gz SJCNTXHDLXCNCY-UHFFFAOYSA-N 1 0 260.381 2.026 20 10 CECDRO CN1CCCc2cc(C[N@H+](C)CCC3OCCO3)ccc21 ZINC001138356462 815774552 /nfs/dbraw/zinc/77/45/52/815774552.db2.gz OQDPDSCHTVFYGC-UHFFFAOYSA-N 1 0 290.407 2.264 20 10 CECDRO CN1CCCc2cc(C[N@H+](C)Cc3ccncn3)ccc21 ZINC001138359636 815776317 /nfs/dbraw/zinc/77/63/17/815776317.db2.gz XDTUMFXAOZYVDL-UHFFFAOYSA-N 1 0 282.391 2.491 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c(OC)c1 ZINC001138386079 815786998 /nfs/dbraw/zinc/78/69/98/815786998.db2.gz GQDYIHFFDSJQLK-CZUORRHYSA-N 1 0 292.423 2.497 20 10 CECDRO CCC[N@H+](CCOC)Cc1ccc(N2CCOCC2)cc1 ZINC001138494892 815817100 /nfs/dbraw/zinc/81/71/00/815817100.db2.gz MQULEBPGPFYAEB-UHFFFAOYSA-N 1 0 292.423 2.382 20 10 CECDRO CC1(C[NH3+])CN(Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001206738270 816107023 /nfs/dbraw/zinc/10/70/23/816107023.db2.gz YRNFQECXHZGRJL-UHFFFAOYSA-N 1 0 274.286 2.192 20 10 CECDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)ccc3O)C[C@H]21 ZINC001140060252 816181144 /nfs/dbraw/zinc/18/11/44/816181144.db2.gz RHSIUHYZUFBORW-BXUZGUMPSA-N 1 0 264.344 2.057 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2C[C@H](CO)C[C@H](F)C2)c1O ZINC001140178546 816204559 /nfs/dbraw/zinc/20/45/59/816204559.db2.gz OALMPUGQIAVFSH-OLZOCXBDSA-N 1 0 267.344 2.161 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCC3(CCC(=O)N3)CC2)c1O ZINC001140184765 816205515 /nfs/dbraw/zinc/20/55/15/816205515.db2.gz HIFHTVKGPVRJAW-UHFFFAOYSA-N 1 0 288.391 2.254 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c1O ZINC001140184225 816205569 /nfs/dbraw/zinc/20/55/69/816205569.db2.gz NSFKRDZRAGJGSI-AWEZNQCLSA-N 1 0 276.380 2.062 20 10 CECDRO Oc1cccc(Cl)c1C[N@H+]1CCCC[C@@H](O)C1 ZINC001140337859 816235124 /nfs/dbraw/zinc/23/51/24/816235124.db2.gz JTLIDCNCZAEYRY-SNVBAGLBSA-N 1 0 255.745 2.392 20 10 CECDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c(O)cccc1Cl ZINC001140337968 816238770 /nfs/dbraw/zinc/23/87/70/816238770.db2.gz PBYDKKOIPMSMRJ-ZJUUUORDSA-N 1 0 255.745 2.391 20 10 CECDRO COCC[NH+](CCOC)Cc1ccc(Cl)cc1O ZINC001140461677 816260583 /nfs/dbraw/zinc/26/05/83/816260583.db2.gz QHHHMCIGBIIWPK-UHFFFAOYSA-N 1 0 273.760 2.140 20 10 CECDRO O=C1NC2(CO1)CC[NH+](Cc1ccc(Cl)cc1O)CC2 ZINC001140464859 816261111 /nfs/dbraw/zinc/26/11/11/816261111.db2.gz CWCQTIYWXYZJAB-UHFFFAOYSA-N 1 0 296.754 2.120 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@](O)(CF)C2)c1 ZINC001140617509 816305352 /nfs/dbraw/zinc/30/53/52/816305352.db2.gz RVIGENHECUFXKP-OAHLLOKOSA-N 1 0 267.344 2.387 20 10 CECDRO Cc1cnc(O[C@@H]2CC[N@@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC001140624280 816307836 /nfs/dbraw/zinc/30/78/36/816307836.db2.gz OJDJAPFFKPLMAJ-OAHLLOKOSA-N 1 0 299.374 2.452 20 10 CECDRO CN(C)c1ccc(CN2CC[N@@H+]3CC[C@@H]3C2)c(Cl)c1 ZINC001140926619 816412174 /nfs/dbraw/zinc/41/21/74/816412174.db2.gz PBTFNXKERPVNKJ-CQSZACIVSA-N 1 0 279.815 2.296 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CC2COC2)c(Cl)c1 ZINC001140924101 816413083 /nfs/dbraw/zinc/41/30/83/816413083.db2.gz DHXGKMVCDOBDSU-UHFFFAOYSA-N 1 0 268.788 2.484 20 10 CECDRO Cc1cc(C[N@H+](C)Cc2ccc(C)cc2O)n(C)n1 ZINC001140949738 816422148 /nfs/dbraw/zinc/42/21/48/816422148.db2.gz KHRNUJCXBVATDI-UHFFFAOYSA-N 1 0 259.353 2.375 20 10 CECDRO COc1cc(O)c(C[N@H+](C)CC2CC2)c(OC)c1 ZINC001141031252 816450943 /nfs/dbraw/zinc/45/09/43/816450943.db2.gz AFIVZNZVFHLKNX-UHFFFAOYSA-N 1 0 251.326 2.251 20 10 CECDRO CN(c1ccc(N)cc1)c1ccc(N2CC[NH+](C)CC2)nc1 ZINC001176661188 816460150 /nfs/dbraw/zinc/46/01/50/816460150.db2.gz LDOXPOKGIMWQLT-UHFFFAOYSA-N 1 0 297.406 2.184 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CC[C@H]4OCC[C@H]4C3)ccc21 ZINC001141144794 816485939 /nfs/dbraw/zinc/48/59/39/816485939.db2.gz KRVUFEWVKDLWIS-GOEBONIOSA-N 1 0 288.391 2.126 20 10 CECDRO Oc1ccc(O)c(C[NH+]2CCC3(CC(F)(F)CO3)CC2)c1 ZINC001141156233 816489689 /nfs/dbraw/zinc/48/96/89/816489689.db2.gz HWXSHVUYYILGKM-UHFFFAOYSA-N 1 0 299.317 2.488 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)c1 ZINC001141161313 816491483 /nfs/dbraw/zinc/49/14/83/816491483.db2.gz DJQPJJSMPIVYGV-AWEZNQCLSA-N 1 0 286.331 2.146 20 10 CECDRO Oc1ccc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@@H](F)C2)c1 ZINC001141162845 816493718 /nfs/dbraw/zinc/49/37/18/816493718.db2.gz HKQLIGGWTNHBFX-GJZGRUSLSA-N 1 0 294.370 2.106 20 10 CECDRO COC[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508878 816677128 /nfs/dbraw/zinc/67/71/28/816677128.db2.gz OQGXUPRUTWWFKM-SECBINFHSA-N 1 0 257.280 2.139 20 10 CECDRO CC[N@@H+]1CCCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142508533 816677516 /nfs/dbraw/zinc/67/75/16/816677516.db2.gz CCRDHYXTKMBOEM-UHFFFAOYSA-N 1 0 270.323 2.198 20 10 CECDRO CN(C)C(=O)C[N@H+](C)Cc1cccc(C(C)(C)C)c1O ZINC001143111202 816787433 /nfs/dbraw/zinc/78/74/33/816787433.db2.gz ZGYABBFUAQMZQF-UHFFFAOYSA-N 1 0 278.396 2.210 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)c1O ZINC000124608442 365655385 /nfs/dbraw/zinc/65/53/85/365655385.db2.gz YXYJEXHUUGDMNQ-CABCVRRESA-N 1 0 260.381 2.369 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H]2CCCCO2)c1O ZINC000042812106 362120931 /nfs/dbraw/zinc/12/09/31/362120931.db2.gz MATQKMXIWKZHQB-CYBMUJFWSA-N 1 0 265.353 2.450 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CN(C)C)c1O ZINC000229053750 539300580 /nfs/dbraw/zinc/30/05/80/539300580.db2.gz RCUKWZZOTULOOM-VIFPVBQESA-N 1 0 272.776 2.094 20 10 CECDRO CC1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000007351650 343359095 /nfs/dbraw/zinc/35/90/95/343359095.db2.gz UUHJDRCNXBFDCA-UHFFFAOYSA-N 1 0 289.423 2.101 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@@H]3CCCCO3)CC2)cc1 ZINC000058126813 343642248 /nfs/dbraw/zinc/64/22/48/343642248.db2.gz LZHMDRDZNAZTJF-KRWDZBQOSA-N 1 0 290.407 2.386 20 10 CECDRO C[NH+](C)CCN(C(=O)/C=C/c1cnccn1)c1ccccc1 ZINC000058297229 343642876 /nfs/dbraw/zinc/64/28/76/343642876.db2.gz ZAPXRWICWRNHMY-CMDGGOBGSA-N 1 0 296.374 2.085 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@H](C)O)c1O ZINC000051822182 362439544 /nfs/dbraw/zinc/43/95/44/362439544.db2.gz AXJYQAFYFWRKFQ-QMMMGPOBSA-N 1 0 271.744 2.061 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000134524134 366334367 /nfs/dbraw/zinc/33/43/67/366334367.db2.gz HVCMJEOBTPHTFO-JTQLQIEISA-N 1 0 282.771 2.146 20 10 CECDRO C[C@@H]([NH2+]C[C@H](C)CO)c1cc(Br)ccc1O ZINC000134914469 366373366 /nfs/dbraw/zinc/37/33/66/366373366.db2.gz CIIQXKAZLGMDRG-DTWKUNHWSA-N 1 0 288.185 2.434 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCCSC1)OCO2 ZINC000135702311 366470572 /nfs/dbraw/zinc/47/05/72/366470572.db2.gz UUQZAMRGMOAHIM-SNVBAGLBSA-N 1 0 267.350 2.106 20 10 CECDRO C[C@@H]([NH2+]CCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000020550959 361583566 /nfs/dbraw/zinc/58/35/66/361583566.db2.gz CSNUVCYQFLZUMO-GFCCVEGCSA-N 1 0 266.360 2.459 20 10 CECDRO CN(C)c1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000092615949 364088049 /nfs/dbraw/zinc/08/80/49/364088049.db2.gz AMDJYFHGBNSMJP-QGZVFWFLSA-N 1 0 273.424 2.423 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000093150811 364146068 /nfs/dbraw/zinc/14/60/68/364146068.db2.gz HDVKRDNTIMDOTM-UHFFFAOYSA-N 1 0 298.390 2.203 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC000093820513 364232589 /nfs/dbraw/zinc/23/25/89/364232589.db2.gz WVFWGPAFTMDEFY-OAHLLOKOSA-N 1 0 263.337 2.013 20 10 CECDRO C[C@@H]([NH2+]Cc1cnnn1C)c1cc(Cl)ccc1O ZINC000287264982 376191292 /nfs/dbraw/zinc/19/12/92/376191292.db2.gz IRRZEAATYVYKHG-MRVPVSSYSA-N 1 0 266.732 2.025 20 10 CECDRO CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167861129 367343492 /nfs/dbraw/zinc/34/34/92/367343492.db2.gz IMAOZKZQMDTPFO-INIZCTEOSA-N 1 0 289.423 2.276 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)CCO)c1O ZINC000169088040 367365332 /nfs/dbraw/zinc/36/53/32/367365332.db2.gz NDLIXSXDZQIJOQ-UHFFFAOYSA-N 1 0 273.760 2.305 20 10 CECDRO CC[NH+](CC)CCN(CCOC)Cc1cccc(C)c1O ZINC000180064799 368366528 /nfs/dbraw/zinc/36/65/28/368366528.db2.gz IYVOCEFXMQEQKK-UHFFFAOYSA-N 1 0 294.439 2.491 20 10 CECDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000179895044 368356552 /nfs/dbraw/zinc/35/65/52/368356552.db2.gz FSNIBCPGMJWVGS-CYBMUJFWSA-N 1 0 263.337 2.228 20 10 CECDRO COc1ccc(O)c(C[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000179902855 368357383 /nfs/dbraw/zinc/35/73/83/368357383.db2.gz DONCTAQMBMJWEJ-UHFFFAOYSA-N 1 0 287.363 2.434 20 10 CECDRO CC(C)[NH2+]C1CCN(Cc2cc(F)ccc2O)CC1 ZINC000180030018 368363198 /nfs/dbraw/zinc/36/31/98/368363198.db2.gz DLHZNJTVGBGCSK-UHFFFAOYSA-N 1 0 266.360 2.494 20 10 CECDRO Cc1cccc(C[N@@H+]2CCOC3(CCOCC3)C2)c1O ZINC000180698996 368393807 /nfs/dbraw/zinc/39/38/07/368393807.db2.gz GSHJJBMGGWSVCI-UHFFFAOYSA-N 1 0 277.364 2.082 20 10 CECDRO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1O ZINC000183325981 368623394 /nfs/dbraw/zinc/62/33/94/368623394.db2.gz ZVAYQLGGTJESNY-SNVBAGLBSA-N 1 0 290.285 2.111 20 10 CECDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188666190 369391515 /nfs/dbraw/zinc/39/15/15/369391515.db2.gz PZZCORSIGQERLK-OCCSQVGLSA-N 1 0 296.386 2.084 20 10 CECDRO C[C@H]([NH2+]CCOCC(F)F)c1ccc(F)cc1[O-] ZINC000188768422 369407008 /nfs/dbraw/zinc/40/70/08/369407008.db2.gz CTWMANAJBQWCLF-QMMMGPOBSA-N 1 0 263.259 2.464 20 10 CECDRO C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(=O)N(C)C ZINC000188998830 369440305 /nfs/dbraw/zinc/44/03/05/369440305.db2.gz DGOVIDMLXGAOSZ-IUCAKERBSA-N 1 0 270.760 2.173 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c(O)c1 ZINC000189346662 369503624 /nfs/dbraw/zinc/50/36/24/369503624.db2.gz YXXVVGSRVMLFET-LSDHHAIUSA-N 1 0 279.380 2.430 20 10 CECDRO CC[C@@]1(CO)CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000190217188 369605578 /nfs/dbraw/zinc/60/55/78/369605578.db2.gz WXWXYZWBWQMLIO-MRXNPFEDSA-N 1 0 279.380 2.385 20 10 CECDRO CC[C@@]1(CO)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000190216844 369605975 /nfs/dbraw/zinc/60/59/75/369605975.db2.gz LBJYJOMRLBCRIX-MRXNPFEDSA-N 1 0 293.363 2.105 20 10 CECDRO COC(=O)[C@H](C)[N@H+](Cc1ccccc1O)C1CCC1 ZINC000191641090 369730014 /nfs/dbraw/zinc/73/00/14/369730014.db2.gz MCOJOFSQMVLCPE-NSHDSACASA-N 1 0 263.337 2.308 20 10 CECDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1cc(F)ccc1O ZINC000231075716 370474941 /nfs/dbraw/zinc/47/49/41/370474941.db2.gz WJLLNCHNZPILGL-CYBMUJFWSA-N 1 0 255.333 2.418 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)COC(C)C ZINC000266594507 372049469 /nfs/dbraw/zinc/04/94/69/372049469.db2.gz VHPKNWOBXRIPDL-HNNXBMFYSA-N 1 0 281.396 2.390 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCSC2)cc1 ZINC000267098923 372056375 /nfs/dbraw/zinc/05/63/75/372056375.db2.gz WFCFZCHDTREBIS-MRXNPFEDSA-N 1 0 294.464 2.490 20 10 CECDRO CC[C@@H](C(=O)NCCc1ccc(N)cc1)[NH+](CC)CC ZINC000269154468 372359794 /nfs/dbraw/zinc/35/97/94/372359794.db2.gz ZWJJLWWAJRASJW-HNNXBMFYSA-N 1 0 277.412 2.048 20 10 CECDRO CCC[N@H+](CC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000270675874 372895972 /nfs/dbraw/zinc/89/59/72/372895972.db2.gz BIJQFXLHBQLMQB-UHFFFAOYSA-N 1 0 277.412 2.101 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c(O)c1 ZINC000271017658 373069138 /nfs/dbraw/zinc/06/91/38/373069138.db2.gz RTVGCUNTPKMNOT-CYBMUJFWSA-N 1 0 265.353 2.138 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000271057976 373096519 /nfs/dbraw/zinc/09/65/19/373096519.db2.gz BEUYPOHSOWOINP-ZDUSSCGKSA-N 1 0 266.360 2.239 20 10 CECDRO CCCOc1ccc(C[N@H+](CCO)C2CC2)c(O)c1 ZINC000271093103 373114267 /nfs/dbraw/zinc/11/42/67/373114267.db2.gz XGJACEIUCSSEGN-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1O ZINC000367683867 373181064 /nfs/dbraw/zinc/18/10/64/373181064.db2.gz GEISHJLMIPHQHR-CNDDSTCGSA-N 1 0 283.755 2.036 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CO)c1O ZINC000271700146 373198629 /nfs/dbraw/zinc/19/86/29/373198629.db2.gz CLTLXMONZAMGKQ-GFCCVEGCSA-N 1 0 255.745 2.311 20 10 CECDRO CC(C)N1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CC1=O ZINC000271840756 373203462 /nfs/dbraw/zinc/20/34/62/373203462.db2.gz QRGNKOVVMPWSDO-SNVBAGLBSA-N 1 0 282.771 2.145 20 10 CECDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000272211243 373361425 /nfs/dbraw/zinc/36/14/25/373361425.db2.gz AHKRPNYHTLUJMN-CYBMUJFWSA-N 1 0 250.386 2.393 20 10 CECDRO COc1cccc(C[N@@H+]2CCCSCC2)c1O ZINC000273434247 373757254 /nfs/dbraw/zinc/75/72/54/373757254.db2.gz UZKAWXTUSLDPKY-UHFFFAOYSA-N 1 0 253.367 2.340 20 10 CECDRO C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(F)ccc1O ZINC000273474361 373759627 /nfs/dbraw/zinc/75/96/27/373759627.db2.gz KLXITYVCECVMRE-NSHDSACASA-N 1 0 264.344 2.444 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c(O)c1 ZINC000273529602 373762880 /nfs/dbraw/zinc/76/28/80/373762880.db2.gz WANXKJKSXCRVFW-STQMWFEESA-N 1 0 276.380 2.361 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1 ZINC000273603127 373766712 /nfs/dbraw/zinc/76/67/12/373766712.db2.gz SJOAVRSLWDPHGQ-GFCCVEGCSA-N 1 0 276.380 2.397 20 10 CECDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(F)ccc1O ZINC000282191889 375424735 /nfs/dbraw/zinc/42/47/35/375424735.db2.gz GGPDPOONOBVHNC-DYBLOJMWSA-N 1 0 271.357 2.093 20 10 CECDRO CCCC[N@H+](CC(=O)NCC)Cc1ccccc1O ZINC000282490538 375497642 /nfs/dbraw/zinc/49/76/42/375497642.db2.gz PVOLVZLJRYTHJY-UHFFFAOYSA-N 1 0 264.369 2.130 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)c(O)c1C ZINC000282773574 375571284 /nfs/dbraw/zinc/57/12/84/375571284.db2.gz PAUWIEZEIWBBKN-RYUDHWBXSA-N 1 0 282.359 2.134 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282984403 375629797 /nfs/dbraw/zinc/62/97/97/375629797.db2.gz ZVWRJXZTACDRNA-HOCLYGCPSA-N 1 0 291.391 2.050 20 10 CECDRO CCn1cnnc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284014101 375796223 /nfs/dbraw/zinc/79/62/23/375796223.db2.gz IKMXXRFCKIRBGN-LBPRGKRZSA-N 1 0 274.368 2.471 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]Cc2cc(C)nn2C)c1O ZINC000284430535 375828014 /nfs/dbraw/zinc/82/80/14/375828014.db2.gz RXPYQXQIQRYMDY-UHFFFAOYSA-N 1 0 295.770 2.386 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2=CCCOC2)c1 ZINC000286918826 376101619 /nfs/dbraw/zinc/10/16/19/376101619.db2.gz FMHFHBLEAZZVMT-NSHDSACASA-N 1 0 291.347 2.176 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000287166535 376164275 /nfs/dbraw/zinc/16/42/75/376164275.db2.gz UHBWVHZTIOZGKJ-STQMWFEESA-N 1 0 297.420 2.176 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)c1ncnn1C)c1ccc(F)cc1[O-] ZINC000287385528 376219728 /nfs/dbraw/zinc/21/97/28/376219728.db2.gz ILYAREHWTBIBIW-BXKDBHETSA-N 1 0 278.331 2.462 20 10 CECDRO COCC(C)(C)[N@H+](C)Cc1cccc(OC)c1O ZINC000292862650 377319975 /nfs/dbraw/zinc/31/99/75/377319975.db2.gz VMSMKTQKWOWBAM-UHFFFAOYSA-N 1 0 253.342 2.258 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)N(C)C)c(O)c1 ZINC000293785047 377755943 /nfs/dbraw/zinc/75/59/43/377755943.db2.gz QISVKCUDXDOWKX-GFCCVEGCSA-N 1 0 264.369 2.138 20 10 CECDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000294738088 378017134 /nfs/dbraw/zinc/01/71/34/378017134.db2.gz GXGMVTSSLMUCDW-LBPRGKRZSA-N 1 0 268.376 2.390 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](O)C(F)F ZINC000295114510 378042948 /nfs/dbraw/zinc/04/29/48/378042948.db2.gz VMMFCMSSUUPQCP-AAEUAGOBSA-N 1 0 290.329 2.386 20 10 CECDRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1cc(Cl)ccc1O ZINC000295813800 378314603 /nfs/dbraw/zinc/31/46/03/378314603.db2.gz BGCRITFDLWGYRF-NSHDSACASA-N 1 0 298.814 2.153 20 10 CECDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000296292350 378481032 /nfs/dbraw/zinc/48/10/32/378481032.db2.gz ZHCIQDASRBHPLL-SNVBAGLBSA-N 1 0 298.358 2.087 20 10 CECDRO CCC[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297976251 378691347 /nfs/dbraw/zinc/69/13/47/378691347.db2.gz VTNIBQKXTKWWPM-CQSZACIVSA-N 1 0 291.439 2.489 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H](CC)[NH+](C)C ZINC000298569226 378769605 /nfs/dbraw/zinc/76/96/05/378769605.db2.gz KHGCSICNVGPMBS-AWEZNQCLSA-N 1 0 278.396 2.471 20 10 CECDRO COc1cc(O)c(C[NH2+]CC[C@H]2CCCOC2)cc1OC ZINC000529636450 380181123 /nfs/dbraw/zinc/18/11/23/380181123.db2.gz BVRMJLCQYJAOSX-GFCCVEGCSA-N 1 0 295.379 2.316 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185511762 262057683 /nfs/dbraw/zinc/05/76/83/262057683.db2.gz PLIVAYKIDZMTGZ-UHIISALHSA-N 1 0 269.410 2.464 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185510862 262057797 /nfs/dbraw/zinc/05/77/97/262057797.db2.gz ASDMJINHUITFHY-MISXGVKJSA-N 1 0 269.410 2.464 20 10 CECDRO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Cl)ccc1O ZINC000186220162 262084694 /nfs/dbraw/zinc/08/46/94/262084694.db2.gz OAZPOXWLKGUMDC-MRVPVSSYSA-N 1 0 270.760 2.208 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccccc1O ZINC000036932890 260052294 /nfs/dbraw/zinc/05/22/94/260052294.db2.gz RSRDIOIWMBTULR-DZGCQCFKSA-N 1 0 278.396 2.154 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000226381173 394470675 /nfs/dbraw/zinc/47/06/75/394470675.db2.gz PTBOTJBJMXVLCJ-JTQLQIEISA-N 1 0 253.367 2.244 20 10 CECDRO CCC1(CO)CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000093592405 394667243 /nfs/dbraw/zinc/66/72/43/394667243.db2.gz CJOWXTWJTRXLLA-UHFFFAOYSA-N 1 0 293.363 2.105 20 10 CECDRO CC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000268573874 394696760 /nfs/dbraw/zinc/69/67/60/394696760.db2.gz RQSUQNCUCJUYMU-HUUCEWRRSA-N 1 0 279.380 2.144 20 10 CECDRO CC[C@@H]([NH2+]C[C@H](C)CO)c1ccc(N(C)C)cc1 ZINC000268799316 394700113 /nfs/dbraw/zinc/70/01/13/394700113.db2.gz AOQBFNOKJGZUTD-SWLSCSKDSA-N 1 0 250.386 2.422 20 10 CECDRO CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H](C)C1 ZINC000282367582 394918041 /nfs/dbraw/zinc/91/80/41/394918041.db2.gz QCINKKGMFFALDE-JQWIXIFHSA-N 1 0 279.336 2.120 20 10 CECDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000375857752 395101310 /nfs/dbraw/zinc/10/13/10/395101310.db2.gz DLMCWRSPLQSNSM-CVEARBPZSA-N 1 0 288.391 2.368 20 10 CECDRO CC(C)OC[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000372115621 395034952 /nfs/dbraw/zinc/03/49/52/395034952.db2.gz FFXPHKXUXMCRPJ-CQSZACIVSA-N 1 0 265.353 2.018 20 10 CECDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000375943546 395104785 /nfs/dbraw/zinc/10/47/85/395104785.db2.gz VSQNDTMWWZIMMZ-CQSZACIVSA-N 1 0 266.360 2.447 20 10 CECDRO CCCC[N@H+](Cc1ccccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179553085 395195477 /nfs/dbraw/zinc/19/54/77/395195477.db2.gz AZKUDQCVAGPEOM-CQSZACIVSA-N 1 0 297.420 2.181 20 10 CECDRO COCCCOCC[N@H+](C)Cc1cc(F)ccc1O ZINC000181522654 395219666 /nfs/dbraw/zinc/21/96/66/395219666.db2.gz SSMXEVCFAGPFOD-UHFFFAOYSA-N 1 0 271.332 2.016 20 10 CECDRO CCC[NH+]1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183701873 395261428 /nfs/dbraw/zinc/26/14/28/395261428.db2.gz CGACNSAWZHDIKG-UHFFFAOYSA-N 1 0 294.395 2.244 20 10 CECDRO CC[C@H]([NH2+]CCO)c1cc(Br)ccc1O ZINC000020597023 171266042 /nfs/dbraw/zinc/26/60/42/171266042.db2.gz NMEMWGIOECCRQW-JTQLQIEISA-N 1 0 274.158 2.188 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)[C@@H]1SC ZINC000298198591 260147731 /nfs/dbraw/zinc/14/77/31/260147731.db2.gz XQTMMHFBWKJNCI-KYOSRNDESA-N 1 0 297.420 2.399 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCC(=O)NC2CC2)c1 ZINC000092987192 260272598 /nfs/dbraw/zinc/27/25/98/260272598.db2.gz CHZRGOFQBHMZIV-LLVKDONJSA-N 1 0 292.379 2.110 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1O ZINC000093418396 260276066 /nfs/dbraw/zinc/27/60/66/260276066.db2.gz VDUKULACYWXALT-WDEREUQCSA-N 1 0 251.326 2.010 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1O ZINC000128219788 260373587 /nfs/dbraw/zinc/37/35/87/260373587.db2.gz PLNOHVBZBSVPQD-NWDGAFQWSA-N 1 0 285.771 2.303 20 10 CECDRO COc1ccc(N2CC[NH+](CCCF)CC2)cc1F ZINC000151734786 261054886 /nfs/dbraw/zinc/05/48/86/261054886.db2.gz RMFSJINZEYSBNG-UHFFFAOYSA-N 1 0 270.323 2.316 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000361050583 261152902 /nfs/dbraw/zinc/15/29/02/261152902.db2.gz HRSKWOYHYXLUSD-NEPJUHHUSA-N 1 0 265.328 2.390 20 10 CECDRO COc1cc(O)c(CN2CCOC3(CCC3)C2)cc1OC ZINC000160524261 261217275 /nfs/dbraw/zinc/21/72/75/261217275.db2.gz STJMRVMPAGBEAP-UHFFFAOYSA-N 1 0 293.363 2.164 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCOC1 ZINC000163932861 261334950 /nfs/dbraw/zinc/33/49/50/261334950.db2.gz NURIXGRAEFCVIW-LLVKDONJSA-N 1 0 286.169 2.423 20 10 CECDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182343862 261934670 /nfs/dbraw/zinc/93/46/70/261934670.db2.gz AUGLUFIVAZOBOG-GRYCIOLGSA-N 1 0 294.395 2.355 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CCC(C)(CO)CC2)c1 ZINC000184072442 262007242 /nfs/dbraw/zinc/00/72/42/262007242.db2.gz YOCDDJPEAMBCIY-UHFFFAOYSA-N 1 0 279.380 2.385 20 10 CECDRO C[C@H]([NH2+]CCC(=O)N(C)C)c1cc(Cl)ccc1O ZINC000185264368 262048563 /nfs/dbraw/zinc/04/85/63/262048563.db2.gz LIWITECPQGMSLC-VIFPVBQESA-N 1 0 270.760 2.175 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)c(O)c1 ZINC000185450034 262055523 /nfs/dbraw/zinc/05/55/23/262055523.db2.gz ZSGJQMWLYODEHG-AWEZNQCLSA-N 1 0 292.423 2.462 20 10 CECDRO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cc2c(cc1O)CCCC2 ZINC000186178189 262083615 /nfs/dbraw/zinc/08/36/15/262083615.db2.gz HLFHLRHZPOLXED-PXAZEXFGSA-N 1 0 291.391 2.073 20 10 CECDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000186443179 262093197 /nfs/dbraw/zinc/09/31/97/262093197.db2.gz IIUHGQFNEBRJST-VXGBXAGGSA-N 1 0 278.352 2.274 20 10 CECDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000195171620 262247574 /nfs/dbraw/zinc/24/75/74/262247574.db2.gz IZYLWUQWHLELGN-BBRMVZONSA-N 1 0 289.423 2.276 20 10 CECDRO O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000195171562 262247702 /nfs/dbraw/zinc/24/77/02/262247702.db2.gz JTIAQAQFWZPCEJ-INIZCTEOSA-N 1 0 287.407 2.045 20 10 CECDRO CC[C@H]([NH2+]CCc1nc(C)n[nH]1)c1ccc(N(C)C)cc1 ZINC000272553959 263006619 /nfs/dbraw/zinc/00/66/19/263006619.db2.gz MPGKBXVWVDIQCK-HNNXBMFYSA-N 1 0 287.411 2.463 20 10 CECDRO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cc(C)ccc1O ZINC000281220890 263067392 /nfs/dbraw/zinc/06/73/92/263067392.db2.gz KIGLHMWUTOCUKX-LBPRGKRZSA-N 1 0 265.353 2.474 20 10 CECDRO CC1CCN(CC[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226584757 263199596 /nfs/dbraw/zinc/19/95/96/263199596.db2.gz WJXARTCZHOXMLI-UHFFFAOYSA-N 1 0 266.360 2.353 20 10 CECDRO CC[C@H](c1ccccc1O)[N@H+](C)[C@@H]1CCCCNC1=O ZINC000368022061 267136384 /nfs/dbraw/zinc/13/63/84/267136384.db2.gz MPZOSYBBUWJYFH-ZIAGYGMSSA-N 1 0 276.380 2.444 20 10 CECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](O)COC ZINC000282573085 276233755 /nfs/dbraw/zinc/23/37/55/276233755.db2.gz ZTAWPSKWIPIREZ-CQSZACIVSA-N 1 0 267.369 2.002 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H](COC)C1 ZINC000366696211 288167581 /nfs/dbraw/zinc/16/75/81/288167581.db2.gz YJXGHVMRJBNQOZ-TZMCWYRMSA-N 1 0 265.353 2.191 20 10 CECDRO C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1ccccc1O ZINC000289925668 280102253 /nfs/dbraw/zinc/10/22/53/280102253.db2.gz WAPAWFKKSZUNND-ZFWWWQNUSA-N 1 0 260.381 2.451 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2(C)OCCCO2)cc1F ZINC000277529788 289408673 /nfs/dbraw/zinc/40/86/73/289408673.db2.gz YCFXVZZYOBQHEF-UHFFFAOYSA-N 1 0 282.359 2.134 20 10 CECDRO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc(N(C)C)cc1 ZINC000193570421 290355422 /nfs/dbraw/zinc/35/54/22/290355422.db2.gz BZCXGRFCWDDKLE-STQMWFEESA-N 1 0 262.397 2.486 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(C)cc1O ZINC000527959927 313221036 /nfs/dbraw/zinc/22/10/36/313221036.db2.gz ZUBKGTSUPATPFG-IMJJTQAJSA-N 1 0 279.380 2.281 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000185361170 327838690 /nfs/dbraw/zinc/83/86/90/327838690.db2.gz JPRDOMFKOVMFRJ-CQSZACIVSA-N 1 0 292.423 2.462 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c(O)c1 ZINC000185179542 327915093 /nfs/dbraw/zinc/91/50/93/327915093.db2.gz UKKIMWYERLKQOO-SECBINFHSA-N 1 0 290.285 2.030 20 10 CECDRO CCOCC[C@@H](O)C[NH2+]Cc1c(C)c2ccccc2n1C ZINC000571396321 328118716 /nfs/dbraw/zinc/11/87/16/328118716.db2.gz AISSZJBWQVEQRW-CQSZACIVSA-N 1 0 290.407 2.364 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccccc1O ZINC000367067891 328587136 /nfs/dbraw/zinc/58/71/36/328587136.db2.gz OWGQMUDJNLGYLR-OWRWGESLSA-N 1 0 274.364 2.100 20 10 CECDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000529668485 328592998 /nfs/dbraw/zinc/59/29/98/328592998.db2.gz GHOABQDYDPCGAD-RZGXBDKHSA-N 1 0 253.317 2.433 20 10 CECDRO C[S@](=O)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000296240953 327091145 /nfs/dbraw/zinc/09/11/45/327091145.db2.gz AUUXTQBWMRWVEP-BUXKBTBVSA-N 1 0 279.405 2.270 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000278555461 327175979 /nfs/dbraw/zinc/17/59/79/327175979.db2.gz OVWIJGXDULEESA-SUNKGSAMSA-N 1 0 265.353 2.476 20 10 CECDRO C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1O ZINC000530216262 328716811 /nfs/dbraw/zinc/71/68/11/328716811.db2.gz PAIANCSNHFWMLZ-YGRLFVJLSA-N 1 0 264.344 2.467 20 10 CECDRO COC[C@@H]1CCCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000375096253 329000388 /nfs/dbraw/zinc/00/03/88/329000388.db2.gz DNALPYBSYKZPEB-GFCCVEGCSA-N 1 0 293.363 2.369 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[S@](=O)CC[C@H]2C)cc1C ZINC000377305701 329010710 /nfs/dbraw/zinc/01/07/10/329010710.db2.gz MPOZBEMUNUWVFF-BFUOFWGJSA-N 1 0 281.421 2.352 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000377709401 329026276 /nfs/dbraw/zinc/02/62/76/329026276.db2.gz YVMQGJYUPPSPBE-ZBFHGGJFSA-N 1 0 277.364 2.080 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccccc1O ZINC000360001947 329069728 /nfs/dbraw/zinc/06/97/28/329069728.db2.gz WYRRLWHWEANGCZ-CHWSQXEVSA-N 1 0 286.379 2.055 20 10 CECDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000179587328 329210272 /nfs/dbraw/zinc/21/02/72/329210272.db2.gz UQUXZCHFSJBNDS-IIAWOOMASA-N 1 0 277.364 2.161 20 10 CECDRO C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1O ZINC000183419452 329247592 /nfs/dbraw/zinc/24/75/92/329247592.db2.gz MTRRNFAJRYXCJB-GFCCVEGCSA-N 1 0 295.346 2.219 20 10 CECDRO CCCN1CCC[N@H+](Cc2cc(C)ccc2O)CC1=O ZINC000189207139 329377116 /nfs/dbraw/zinc/37/71/16/329377116.db2.gz ALYDZFVRFOSKSO-UHFFFAOYSA-N 1 0 276.380 2.145 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1 ZINC000249958482 329912435 /nfs/dbraw/zinc/91/24/35/329912435.db2.gz JKTBDALNCIHXEQ-XHSDSOJGSA-N 1 0 260.381 2.410 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1O ZINC000167858119 331308377 /nfs/dbraw/zinc/30/83/77/331308377.db2.gz GBQVITFSKDDJOC-ONGXEEELSA-N 1 0 297.782 2.451 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](CCO)COC)cc1 ZINC000219132015 333142601 /nfs/dbraw/zinc/14/26/01/333142601.db2.gz KNVPDXBVQAWVBC-HNNXBMFYSA-N 1 0 280.412 2.020 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@H](C)C2)c1O ZINC000219906469 333158922 /nfs/dbraw/zinc/15/89/22/333158922.db2.gz BZXDEKKCUYKNKM-YPMHNXCESA-N 1 0 265.353 2.448 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)CC(C)(C)C)c1 ZINC000224823439 333226372 /nfs/dbraw/zinc/22/63/72/333226372.db2.gz YKXSGTSCEZJMOY-LBPRGKRZSA-N 1 0 267.369 2.288 20 10 CECDRO CCC[C@](C)(O)C[NH2+]Cc1cccc(OCC)c1O ZINC000226249770 333255063 /nfs/dbraw/zinc/25/50/63/333255063.db2.gz LZIWZSINSFGMOI-HNNXBMFYSA-N 1 0 267.369 2.432 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CCO)C(C)C)c1O ZINC000230690040 333321011 /nfs/dbraw/zinc/32/10/11/333321011.db2.gz GSLXKRGLANRWEV-ZDUSSCGKSA-N 1 0 267.369 2.288 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)c2nnc3ccccn32)c1 ZINC000237362754 333379026 /nfs/dbraw/zinc/37/90/26/333379026.db2.gz TUIMGEYALBAUIT-LLVKDONJSA-N 1 0 298.346 2.294 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CC1CCSCC1)OCO2 ZINC000134610104 334097272 /nfs/dbraw/zinc/09/72/72/334097272.db2.gz GWOYOTNOXFYECZ-UHFFFAOYSA-N 1 0 281.377 2.354 20 10 CECDRO COc1ccc(O)c(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000245961752 334225826 /nfs/dbraw/zinc/22/58/26/334225826.db2.gz UZEXRZPHJRUQQM-AWEZNQCLSA-N 1 0 276.380 2.071 20 10 CECDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037219945 519501617 /nfs/dbraw/zinc/50/16/17/519501617.db2.gz KBQVROUZEYRXHZ-CYBMUJFWSA-N 1 0 277.412 2.175 20 10 CECDRO CC(C)[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCOC1 ZINC000291194978 519653677 /nfs/dbraw/zinc/65/36/77/519653677.db2.gz UHKUAHWOLFEOIN-GFCCVEGCSA-N 1 0 279.336 2.120 20 10 CECDRO CC(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000062734674 519747067 /nfs/dbraw/zinc/74/70/67/519747067.db2.gz UXMHEUDWWDURDI-UHFFFAOYSA-N 1 0 262.397 2.393 20 10 CECDRO CCCNC(=O)C[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000279949807 519880822 /nfs/dbraw/zinc/88/08/22/519880822.db2.gz BQHQWRHHNPKDBB-CYBMUJFWSA-N 1 0 264.369 2.268 20 10 CECDRO CCCOc1ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c(O)c1 ZINC000280568732 520352275 /nfs/dbraw/zinc/35/22/75/520352275.db2.gz VPZBNBPMFBVCJH-OAHLLOKOSA-N 1 0 279.380 2.384 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H](C)C(=O)N(C)CC)c(O)c1 ZINC000188894631 520370966 /nfs/dbraw/zinc/37/09/66/520370966.db2.gz WIKCEYNBKYJJIF-GFCCVEGCSA-N 1 0 294.395 2.137 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)[C@H]2CCN(C)C2=O)cc1 ZINC000265649060 520891864 /nfs/dbraw/zinc/89/18/64/520891864.db2.gz NCKOLLBFMQWVRR-INIZCTEOSA-N 1 0 289.423 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2.047 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCOC(F)(F)F)c1O ZINC000894540702 629522216 /nfs/dbraw/zinc/52/22/16/629522216.db2.gz LSGMHHOGSBWLKF-UHFFFAOYSA-N 1 0 279.258 2.335 20 10 CECDRO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000894768874 629624479 /nfs/dbraw/zinc/62/44/79/629624479.db2.gz ILQVPMBJFIVGQV-GJZGRUSLSA-N 1 0 261.365 2.262 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@H]2COCO2)cc1C ZINC000894891169 629726960 /nfs/dbraw/zinc/72/69/60/629726960.db2.gz ZSYFIBUMCPWGJN-CQSZACIVSA-N 1 0 265.353 2.246 20 10 CECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894984086 629784580 /nfs/dbraw/zinc/78/45/80/629784580.db2.gz IORQYMQSNMDTOW-OLZOCXBDSA-N 1 0 265.353 2.366 20 10 CECDRO CC[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)C(=O)OC ZINC000895121211 629924848 /nfs/dbraw/zinc/92/48/48/629924848.db2.gz WAPQZWLADQNLAF-VIFPVBQESA-N 1 0 271.744 2.334 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1O ZINC000797069550 630123301 /nfs/dbraw/zinc/12/33/01/630123301.db2.gz GDJFSHNIVSOAGX-MNOVXSKESA-N 1 0 283.393 2.009 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c(O)c1 ZINC000797070863 630124404 /nfs/dbraw/zinc/12/44/04/630124404.db2.gz NFVGBHOYDRCUAN-VXGBXAGGSA-N 1 0 297.420 2.317 20 10 CECDRO C[NH+]1CCN(c2ccc(CN3CC[C@H]3C(F)F)cc2)CC1 ZINC000895430375 630180516 /nfs/dbraw/zinc/18/05/16/630180516.db2.gz CYTFYTTXTWLRNQ-HNNXBMFYSA-N 1 0 295.377 2.278 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1O ZINC000895440504 630191363 /nfs/dbraw/zinc/19/13/63/630191363.db2.gz SEHIIHQZCIBNCJ-MOCRQMNESA-N 1 0 289.375 2.222 20 10 CECDRO COc1cccc(CN2CCC(C)([NH+]3CCC3)CC2)c1O ZINC000895671612 630300786 /nfs/dbraw/zinc/30/07/86/630300786.db2.gz RMIYCIPCWPQLKT-UHFFFAOYSA-N 1 0 290.407 2.461 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000895755723 630331870 /nfs/dbraw/zinc/33/18/70/630331870.db2.gz NMCOBJGIFTZBNC-CYBMUJFWSA-N 1 0 276.380 2.223 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c(O)c1 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Cc1cccc(O)c1C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000897020465 630887192 /nfs/dbraw/zinc/88/71/92/630887192.db2.gz GKRABMUBARKBNZ-AWEZNQCLSA-N 1 0 290.363 2.021 20 10 CECDRO CC(=O)N1CCN(Cc2cc(Cl)c(C)cc2O)[C@H](C)C1 ZINC000824831668 635505876 /nfs/dbraw/zinc/50/58/76/635505876.db2.gz WJHGNJQSRQKGQX-LLVKDONJSA-N 1 0 296.798 2.407 20 10 CECDRO Oc1c(C[NH2+]CCO[C@@H]2CCOC2)ccc2ccccc21 ZINC000897201958 630986929 /nfs/dbraw/zinc/98/69/29/630986929.db2.gz OSLGJOIRZWITPR-OAHLLOKOSA-N 1 0 287.359 2.441 20 10 CECDRO COC(=O)CN(Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC000824919960 635525388 /nfs/dbraw/zinc/52/53/88/635525388.db2.gz CLTMXWPTQMNMOA-UHFFFAOYSA-N 1 0 283.755 2.491 20 10 CECDRO COCC(COC)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000824922265 635526233 /nfs/dbraw/zinc/52/62/33/635526233.db2.gz ZGLIUSASRFDHCP-UHFFFAOYSA-N 1 0 273.760 2.105 20 10 CECDRO COc1ccc(N2CC[NH+](CCOCC(C)C)CC2)cc1 ZINC000800328033 631112601 /nfs/dbraw/zinc/11/26/01/631112601.db2.gz FEMCETRMQSPNCK-UHFFFAOYSA-N 1 0 292.423 2.490 20 10 CECDRO CN(C)c1ccc([C@H](CNc2cccnn2)[NH+](C)C)cc1 ZINC000897523304 631621928 /nfs/dbraw/zinc/62/19/28/631621928.db2.gz UCJLCRKTSSWMCR-HNNXBMFYSA-N 1 0 285.395 2.257 20 10 CECDRO C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000843127569 631749340 /nfs/dbraw/zinc/74/93/40/631749340.db2.gz DZBQPCRNYCRSFR-HTQZYQBOSA-N 1 0 260.740 2.400 20 10 CECDRO CCN(CC)c1ccc(CN[C@H](C[NH3+])C2CC2)cc1F ZINC000841028218 631810677 /nfs/dbraw/zinc/81/06/77/631810677.db2.gz MGKLDRVVINASFY-OAHLLOKOSA-N 1 0 279.403 2.499 20 10 CECDRO CC[C@@H]([NH2+]CCS(=O)(=O)CC)c1ccc(N(C)C)cc1 ZINC000163507278 631823635 /nfs/dbraw/zinc/82/36/35/631823635.db2.gz GQLMVEFYWYPJDJ-OAHLLOKOSA-N 1 0 298.452 2.228 20 10 CECDRO CO[C@@H]1CCOC[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000897890558 631963593 /nfs/dbraw/zinc/96/35/93/631963593.db2.gz SHSJYEUYHWKPSZ-OSNZYPHYSA-N 1 0 290.407 2.159 20 10 CECDRO OCCC1CC([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000898008549 632000497 /nfs/dbraw/zinc/00/04/97/632000497.db2.gz PMRFRPWTCALOOE-UHFFFAOYSA-N 1 0 255.745 2.296 20 10 CECDRO COC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808718543 632004954 /nfs/dbraw/zinc/00/49/54/632004954.db2.gz NRIMWCRNCKAJRQ-KOLCDFICSA-N 1 0 273.760 2.012 20 10 CECDRO CCN(C)c1ccc(C[NH2+]CCc2ccc(N)cc2)cn1 ZINC000841038199 632057195 /nfs/dbraw/zinc/05/71/95/632057195.db2.gz HAZNWWCNKLLKHB-UHFFFAOYSA-N 1 0 284.407 2.452 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cnc([C@H](C)O)s2)c1 ZINC000809620775 632112979 /nfs/dbraw/zinc/11/29/79/632112979.db2.gz VIGCKKMOLNTYRK-VIFPVBQESA-N 1 0 294.376 2.200 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2O)o1 ZINC000809742574 632136612 /nfs/dbraw/zinc/13/66/12/632136612.db2.gz DQNLDXDSYQRUQA-UHFFFAOYSA-N 1 0 279.267 2.201 20 10 CECDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000809778156 632144267 /nfs/dbraw/zinc/14/42/67/632144267.db2.gz LBFQDFFNHQNYHA-HNNXBMFYSA-N 1 0 290.407 2.439 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c(O)c1 ZINC000898387954 632478045 /nfs/dbraw/zinc/47/80/45/632478045.db2.gz SHIGXXSXLHTEMI-NVXWUHKLSA-N 1 0 269.344 2.449 20 10 CECDRO OC1CCN(c2ccc(C[NH2+]C/C=C/Cl)cc2)CC1 ZINC000898427644 632487461 /nfs/dbraw/zinc/48/74/61/632487461.db2.gz DJBGNNKGQUUOGU-UNXLUWIOSA-N 1 0 280.799 2.490 20 10 CECDRO COC1CC([NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 ZINC000898449462 632498718 /nfs/dbraw/zinc/49/87/18/632498718.db2.gz GIGJEPROWFGOCF-PREGVCBESA-N 1 0 291.439 2.122 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c(O)c1 ZINC000812780321 632577364 /nfs/dbraw/zinc/57/73/64/632577364.db2.gz ACRCPZNIYQPBDY-AWEZNQCLSA-N 1 0 287.363 2.434 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C2COCCOC2)cc1F ZINC000813788996 632735237 /nfs/dbraw/zinc/73/52/37/632735237.db2.gz FXKAEAZZEVXRHC-UHFFFAOYSA-N 1 0 296.386 2.177 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c1O ZINC000814172894 632797788 /nfs/dbraw/zinc/79/77/88/632797788.db2.gz CTZLYCAHPNIHJV-GXFFZTMASA-N 1 0 296.798 2.190 20 10 CECDRO Cc1cc(C[N@H+](C)C[C@@H](O)C2CC2)ccc1N(C)C ZINC000815060823 632953113 /nfs/dbraw/zinc/95/31/13/632953113.db2.gz UNFHQWNDMFWCMO-MRXNPFEDSA-N 1 0 262.397 2.264 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cnn(C)c2Cl)c1 ZINC000815127198 632965578 /nfs/dbraw/zinc/96/55/78/632965578.db2.gz YRFRWWNEOXQEPU-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC000815131818 632967643 /nfs/dbraw/zinc/96/76/43/632967643.db2.gz MYGJHXMWYVICRI-HNNXBMFYSA-N 1 0 277.412 2.003 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1 ZINC000815155006 632973617 /nfs/dbraw/zinc/97/36/17/632973617.db2.gz JVIRAHHNXGZUKY-HNNXBMFYSA-N 1 0 284.359 2.407 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2COCCO2)c(O)c1 ZINC000815561482 633031789 /nfs/dbraw/zinc/03/17/89/633031789.db2.gz IHKXOEZXWVJVDW-CHWSQXEVSA-N 1 0 265.353 2.075 20 10 CECDRO COC[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816549058 633410386 /nfs/dbraw/zinc/41/03/86/633410386.db2.gz BQSRJWKVKWXLCZ-INIZCTEOSA-N 1 0 275.348 2.032 20 10 CECDRO COC[C@@H](C[NH2+]Cc1ccc2ccccc2c1O)OC ZINC000816566406 633413801 /nfs/dbraw/zinc/41/38/01/633413801.db2.gz UUKKYNMXGXTXCO-CQSZACIVSA-N 1 0 275.348 2.296 20 10 CECDRO Oc1c(C[N@@H+]2CCN3CCOC[C@@H]3C2)ccc2ccccc21 ZINC000816568247 633414127 /nfs/dbraw/zinc/41/41/27/633414127.db2.gz BCPIGCHYYPEGCL-INIZCTEOSA-N 1 0 298.386 2.062 20 10 CECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2OC)CCO1 ZINC000817415370 633653730 /nfs/dbraw/zinc/65/37/30/633653730.db2.gz RZPSGRJTMFGDDQ-NWDGAFQWSA-N 1 0 265.353 2.448 20 10 CECDRO CC[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(C)cc1O ZINC000817584973 633701886 /nfs/dbraw/zinc/70/18/86/633701886.db2.gz BSTNKXQHABSDQR-ZDUSSCGKSA-N 1 0 276.380 2.397 20 10 CECDRO Oc1cccc(Cl)c1CN1CCC2(CC[NH2+]2)CC1 ZINC000817865100 633746997 /nfs/dbraw/zinc/74/69/97/633746997.db2.gz GWNBFVKLKMIYLM-UHFFFAOYSA-N 1 0 266.772 2.374 20 10 CECDRO COc1ccc(O)c([C@H](C)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000817949869 633795319 /nfs/dbraw/zinc/79/53/19/633795319.db2.gz OMHAWZBAXBPGHZ-RYUDHWBXSA-N 1 0 264.369 2.194 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CN)CC(C)C)c1 ZINC000817959146 633801747 /nfs/dbraw/zinc/80/17/47/633801747.db2.gz PTWPTJPZAROCHO-NEPJUHHUSA-N 1 0 266.385 2.425 20 10 CECDRO C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817965816 633807987 /nfs/dbraw/zinc/80/79/87/633807987.db2.gz CISCEAJOBLOGJQ-NHYWBVRUSA-N 1 0 293.367 2.341 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1[O-] ZINC000817970510 633813358 /nfs/dbraw/zinc/81/33/58/633813358.db2.gz XTVNDIYGVURCKF-ZMLRMANQSA-N 1 0 252.333 2.452 20 10 CECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000817976418 633820325 /nfs/dbraw/zinc/82/03/25/633820325.db2.gz LUGJVKKJJCVAOU-NWDGAFQWSA-N 1 0 294.395 2.347 20 10 CECDRO C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981853 633824199 /nfs/dbraw/zinc/82/41/99/633824199.db2.gz VVYIAMJOJYMVKB-NWDGAFQWSA-N 1 0 293.367 2.483 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCO[C@@H]3C)C2)cc1 ZINC000818221456 633886654 /nfs/dbraw/zinc/88/66/54/633886654.db2.gz MUFAEKODGHTQQA-CKEIUWERSA-N 1 0 290.407 2.289 20 10 CECDRO COC(=O)CC1CC([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000818328122 633909910 /nfs/dbraw/zinc/90/99/10/633909910.db2.gz NMAZRTCUZGQTIS-UHFFFAOYSA-N 1 0 276.380 2.184 20 10 CECDRO CCn1nc(C)c(C[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000818345632 633914399 /nfs/dbraw/zinc/91/43/99/633914399.db2.gz NKACDZRXEGYXCP-LBPRGKRZSA-N 1 0 272.352 2.089 20 10 CECDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503318 634932885 /nfs/dbraw/zinc/93/28/85/634932885.db2.gz FZNRMVZEHACNOK-ZDUSSCGKSA-N 1 0 292.770 2.474 20 10 CECDRO COc1cc(O)c(C[NH+]2CC(CC(F)F)C2)cc1OC ZINC000822521212 634936352 /nfs/dbraw/zinc/93/63/52/634936352.db2.gz YFMIKIMVWDWSCB-UHFFFAOYSA-N 1 0 287.306 2.496 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000903131353 634984681 /nfs/dbraw/zinc/98/46/81/634984681.db2.gz RHDQHQGTOZDXTM-UTUOFQBUSA-N 1 0 293.363 2.393 20 10 CECDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000903299189 635046132 /nfs/dbraw/zinc/04/61/32/635046132.db2.gz HIGAPYSIQGGLOT-PQFRYHKHSA-N 1 0 295.354 2.473 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1cc(Cl)ccc1O ZINC000903316300 635063069 /nfs/dbraw/zinc/06/30/69/635063069.db2.gz DFDNFRMPFRKSLY-KOLCDFICSA-N 1 0 254.761 2.400 20 10 CECDRO CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000903343181 635071132 /nfs/dbraw/zinc/07/11/32/635071132.db2.gz NJCZFRCMHLGPMO-GXTWGEPZSA-N 1 0 296.386 2.293 20 10 CECDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000903391976 635088803 /nfs/dbraw/zinc/08/88/03/635088803.db2.gz KDVIAXXSSDKXAP-CZUORRHYSA-N 1 0 289.423 2.414 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@H]([NH3+])C(C)(C)C2)c1O ZINC000903551498 635165826 /nfs/dbraw/zinc/16/58/26/635165826.db2.gz MSKLGGFPRLIGPE-ZDUSSCGKSA-N 1 0 296.798 2.417 20 10 CECDRO CCOC(=O)[C@@H]1C[C@H]1CN1CCCc2cc(C[NH3+])ccc21 ZINC000903715984 635245726 /nfs/dbraw/zinc/24/57/26/635245726.db2.gz DQYUBGXTTMPGBU-LSDHHAIUSA-N 1 0 288.391 2.097 20 10 CECDRO Cc1cccc(CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1O ZINC000903983444 635402808 /nfs/dbraw/zinc/40/28/08/635402808.db2.gz IIRAHRXKYKKURG-VXGBXAGGSA-N 1 0 288.313 2.412 20 10 CECDRO Cc1cccc(CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c1O ZINC000903983438 635403107 /nfs/dbraw/zinc/40/31/07/635403107.db2.gz IIRAHRXKYKKURG-NEPJUHHUSA-N 1 0 288.313 2.412 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCC(O)CC2)cc1Cl ZINC000824522514 635441043 /nfs/dbraw/zinc/44/10/43/635441043.db2.gz QCJXBHFJEUIQKW-UHFFFAOYSA-N 1 0 255.745 2.311 20 10 CECDRO COCC[NH+]1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824542217 635446474 /nfs/dbraw/zinc/44/64/74/635446474.db2.gz QSHAMPVPOGMLRK-UHFFFAOYSA-N 1 0 298.814 2.118 20 10 CECDRO OC[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824548142 635447659 /nfs/dbraw/zinc/44/76/59/635447659.db2.gz IEVFBVPHBZVHNY-LLVKDONJSA-N 1 0 286.169 2.111 20 10 CECDRO Cc1cc(O)c(C[N@H+](CCO)C2CC2)cc1Cl ZINC000824561217 635451895 /nfs/dbraw/zinc/45/18/95/635451895.db2.gz SRMPOKMUSGYKCR-UHFFFAOYSA-N 1 0 255.745 2.311 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccccc1O ZINC000824564304 635452586 /nfs/dbraw/zinc/45/25/86/635452586.db2.gz IKGCEUZATPBFRM-ZBFHGGJFSA-N 1 0 292.423 2.280 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824576086 635455572 /nfs/dbraw/zinc/45/55/72/635455572.db2.gz ZVEUOCPUKIHGIB-SNVBAGLBSA-N 1 0 283.755 2.349 20 10 CECDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000824636760 635468393 /nfs/dbraw/zinc/46/83/93/635468393.db2.gz SMYINSUMEWMIBR-DZGCQCFKSA-N 1 0 280.387 2.485 20 10 CECDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000824636815 635468503 /nfs/dbraw/zinc/46/85/03/635468503.db2.gz TYMBCOPWXBJLAA-GOEBONIOSA-N 1 0 262.397 2.345 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1 ZINC000824653789 635470994 /nfs/dbraw/zinc/47/09/94/635470994.db2.gz IASOXGULSFDJQS-IMJJTQAJSA-N 1 0 291.391 2.062 20 10 CECDRO COc1cccc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1O ZINC000824846242 635510556 /nfs/dbraw/zinc/51/05/56/635510556.db2.gz QIQIZGJKTNUVOE-ZBFHGGJFSA-N 1 0 291.391 2.288 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC2(CC)COC2)c1 ZINC000825072815 635558805 /nfs/dbraw/zinc/55/88/05/635558805.db2.gz MFKBCXMBSYGWTH-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000825104486 635570277 /nfs/dbraw/zinc/57/02/77/635570277.db2.gz YAIXXJGCVAEGSG-LDYMZIIASA-N 1 0 271.744 2.009 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c1O ZINC000825130376 635576065 /nfs/dbraw/zinc/57/60/65/635576065.db2.gz WZTCQOIJUHSAMZ-SMDDNHRTSA-N 1 0 299.798 2.326 20 10 CECDRO COCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825278592 635604933 /nfs/dbraw/zinc/60/49/33/635604933.db2.gz MKZIHVFHQHUAPQ-CQSZACIVSA-N 1 0 287.787 2.231 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CCCO)C2)cc1 ZINC000825338304 635620507 /nfs/dbraw/zinc/62/05/07/635620507.db2.gz ODDWVNXQZGJRJS-AWEZNQCLSA-N 1 0 262.397 2.347 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)c(O)c1 ZINC000825338666 635620594 /nfs/dbraw/zinc/62/05/94/635620594.db2.gz SWDSQVAALZTBQJ-CYBMUJFWSA-N 1 0 279.380 2.385 20 10 CECDRO COC[C@H](C)C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000826846439 635860091 /nfs/dbraw/zinc/86/00/91/635860091.db2.gz URKSRRGTWJDQFS-KGLIPLIRSA-N 1 0 278.396 2.146 20 10 CECDRO C[C@H]1C[NH+](Cc2c(O)cccc2Cl)C[C@H](C)C1O ZINC000827151728 636237952 /nfs/dbraw/zinc/23/79/52/636237952.db2.gz IPKNKHKWGQAMSS-UWVGGRQHSA-N 1 0 269.772 2.494 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c(O)c1 ZINC000827284300 636279313 /nfs/dbraw/zinc/27/93/13/636279313.db2.gz UPENTPDTLGREIL-BBRMVZONSA-N 1 0 277.364 2.259 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000827341240 636299518 /nfs/dbraw/zinc/29/95/18/636299518.db2.gz XZYXWZWPZHNHCT-HNNXBMFYSA-N 1 0 289.423 2.147 20 10 CECDRO O=C(NCc1ccccc1O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000828015283 636487191 /nfs/dbraw/zinc/48/71/91/636487191.db2.gz DBQKOBARCQTNQP-UHFFFAOYSA-N 1 0 296.370 2.010 20 10 CECDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000828327814 636571572 /nfs/dbraw/zinc/57/15/72/636571572.db2.gz SPSREEGVJDNQMU-CQSZACIVSA-N 1 0 274.364 2.107 20 10 CECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC000828491264 636609424 /nfs/dbraw/zinc/60/94/24/636609424.db2.gz XWYWDELAZHTDRN-QWRGUYRKSA-N 1 0 282.409 2.399 20 10 CECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C2=CC(=O)CS2)[C@H](C)C1 ZINC000828595024 636637318 /nfs/dbraw/zinc/63/73/18/636637318.db2.gz FRGAFUWCNLUVGI-PWSUYJOCSA-N 1 0 282.409 2.256 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)CCCC[NH3+])cc1F ZINC000829039251 636758615 /nfs/dbraw/zinc/75/86/15/636758615.db2.gz XBKGSKCRCDHBFD-UHFFFAOYSA-N 1 0 295.402 2.417 20 10 CECDRO CSCCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832272503 637530195 /nfs/dbraw/zinc/53/01/95/637530195.db2.gz GHXFXDRBFFDWHY-CQSZACIVSA-N 1 0 295.452 2.012 20 10 CECDRO CC[C@@H](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278531 637532202 /nfs/dbraw/zinc/53/22/02/637532202.db2.gz DSEJKEIAMDQAGW-IUODEOHRSA-N 1 0 277.412 2.305 20 10 CECDRO CC/C=C(/C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279250 637532263 /nfs/dbraw/zinc/53/22/63/637532263.db2.gz HWRBPGXYAZHCIG-NYXMJBRJSA-N 1 0 275.396 2.225 20 10 CECDRO [NH3+][C@H]1CC=C(C(=O)N2CCCc3cc(F)ccc32)C1 ZINC000876586449 650346449 /nfs/dbraw/zinc/34/64/49/650346449.db2.gz FFTFRMVGJMLCGN-ZDUSSCGKSA-N 1 0 260.312 2.152 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(c2nncn2C)CC1 ZINC000876608200 650357383 /nfs/dbraw/zinc/35/73/83/650357383.db2.gz BSYDTPOGDJOATJ-UHFFFAOYSA-N 1 0 286.379 2.209 20 10 CECDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000832870503 637697156 /nfs/dbraw/zinc/69/71/56/637697156.db2.gz LZGCXRPZIPLMKF-AWEZNQCLSA-N 1 0 280.393 2.012 20 10 CECDRO COC1([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000834555532 637864682 /nfs/dbraw/zinc/86/46/82/637864682.db2.gz ZOTDJFJGLIWYRT-ZDUSSCGKSA-N 1 0 291.391 2.295 20 10 CECDRO COC1CCN(CC[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000834616753 637891391 /nfs/dbraw/zinc/89/13/91/637891391.db2.gz QPEAZFXAEGUZHH-OAHLLOKOSA-N 1 0 290.407 2.080 20 10 CECDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000834842985 637967511 /nfs/dbraw/zinc/96/75/11/637967511.db2.gz FLWSKDJUTBOGER-BBRMVZONSA-N 1 0 281.396 2.447 20 10 CECDRO CC[N@@H+]1CCCN(C(=O)C2=CC(=O)CS2)[C@@H](C)C1 ZINC000910275445 637970013 /nfs/dbraw/zinc/97/00/13/637970013.db2.gz VSHVSLJWDHCVAV-JTQLQIEISA-N 1 0 268.382 2.010 20 10 CECDRO CC[C@H]([NH2+]C(COC)COC)c1ccc(C)cc1O ZINC000834890548 637978892 /nfs/dbraw/zinc/97/88/92/637978892.db2.gz LAAJTQMAKRFLKY-AWEZNQCLSA-N 1 0 267.369 2.403 20 10 CECDRO COCC(COC)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834894085 637980571 /nfs/dbraw/zinc/98/05/71/637980571.db2.gz YYJMFGCWXPDMHJ-JOYOIKCWSA-N 1 0 283.343 2.331 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(C)cc1O ZINC000834903662 637983050 /nfs/dbraw/zinc/98/30/50/637983050.db2.gz KUYYWFFBYDSSNQ-MRXNPFEDSA-N 1 0 292.423 2.198 20 10 CECDRO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(Cl)ccc1O ZINC000834909559 637984543 /nfs/dbraw/zinc/98/45/43/637984543.db2.gz SKKQPOAJKCSXLN-OTYXRUKQSA-N 1 0 282.771 2.365 20 10 CECDRO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cc(Cl)ccc1O ZINC000834909562 637984881 /nfs/dbraw/zinc/98/48/81/637984881.db2.gz SKKQPOAJKCSXLN-XPTSAGLGSA-N 1 0 282.771 2.365 20 10 CECDRO CC[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccccc1O ZINC000834908865 637985117 /nfs/dbraw/zinc/98/51/17/637985117.db2.gz MJHMPXJNDGTMFB-WFASDCNBSA-N 1 0 262.353 2.102 20 10 CECDRO CC[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(C)cc1O ZINC000834907813 637985146 /nfs/dbraw/zinc/98/51/46/637985146.db2.gz CVBYVDLLCXIJSM-CZUORRHYSA-N 1 0 276.380 2.410 20 10 CECDRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C[C@H]2CCCCN12 ZINC000834911870 637986206 /nfs/dbraw/zinc/98/62/06/637986206.db2.gz BGJONJJSLUWRLF-MGPQQGTHSA-N 1 0 286.375 2.123 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@H+](C)[C@@H]2CCOC2)cc1 ZINC000835029603 638030340 /nfs/dbraw/zinc/03/03/40/638030340.db2.gz XYSWOILLOKSPQD-YIEVGGLXSA-N 1 0 260.381 2.487 20 10 CECDRO CC(C)[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCO ZINC000835026639 638030636 /nfs/dbraw/zinc/03/06/36/638030636.db2.gz YXRDHKMDVQGXCX-WAYWQWQTSA-N 1 0 262.397 2.469 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCN2CCC2)cc1 ZINC000835041058 638035489 /nfs/dbraw/zinc/03/54/89/638035489.db2.gz JJRKTNOSVHFFOM-HWKANZROSA-N 1 0 259.397 2.061 20 10 CECDRO C[C@H](O)[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835045290 638036032 /nfs/dbraw/zinc/03/60/32/638036032.db2.gz UFIRHUZRJAUDFT-QNKPMFPBSA-N 1 0 274.408 2.469 20 10 CECDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000876692440 650402724 /nfs/dbraw/zinc/40/27/24/650402724.db2.gz SRBIZYLFMYBVGG-CQSZACIVSA-N 1 0 260.381 2.369 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(C)C=CCC2)cc1 ZINC000911668534 638343594 /nfs/dbraw/zinc/34/35/94/638343594.db2.gz ZBDVWMUYTNLYLZ-WBVHZDCISA-N 1 0 287.407 2.225 20 10 CECDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC000876739623 650415190 /nfs/dbraw/zinc/41/51/90/650415190.db2.gz DQLMPTPWKIEOOR-CQSZACIVSA-N 1 0 289.375 2.476 20 10 CECDRO Cc1ccc(C[N@@H+]2CCSC[C@@H]2CCO)c(O)c1 ZINC000876805678 650440401 /nfs/dbraw/zinc/44/04/01/650440401.db2.gz FAVXPUMEOYNLNS-ZDUSSCGKSA-N 1 0 267.394 2.000 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCSC[C@@H]1CCO ZINC000876807001 650440638 /nfs/dbraw/zinc/44/06/38/650440638.db2.gz XBLNUNLFLDKGLO-LBPRGKRZSA-N 1 0 267.394 2.000 20 10 CECDRO COCCOCCCC[NH2+]Cc1cccc(C)c1O ZINC000164476810 639377887 /nfs/dbraw/zinc/37/78/87/639377887.db2.gz PRBVZFYRRLXPDS-UHFFFAOYSA-N 1 0 267.369 2.233 20 10 CECDRO CC(=O)N1CCC([NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840871166 639567993 /nfs/dbraw/zinc/56/79/93/639567993.db2.gz CGAJBMZAHKXROF-UHFFFAOYSA-N 1 0 296.798 2.455 20 10 CECDRO CCN(CC)C(=O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840885004 639572254 /nfs/dbraw/zinc/57/22/54/639572254.db2.gz SWOVVDUYONXGGE-UHFFFAOYSA-N 1 0 284.787 2.312 20 10 CECDRO Cn1cc[nH+]c1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000840887204 639573919 /nfs/dbraw/zinc/57/39/19/639573919.db2.gz HUPRXZLGUZRCDA-UHFFFAOYSA-N 1 0 290.342 2.008 20 10 CECDRO COc1cccc(C[NH2+][C@@](C)(CO)c2ccccc2)c1O ZINC000227212484 639577644 /nfs/dbraw/zinc/57/76/44/639577644.db2.gz ZUTIBSACAQJMQU-KRWDZBQOSA-N 1 0 287.359 2.398 20 10 CECDRO Cc1n[nH]c(CC[NH2+]Cc2c(O)cc(C)cc2Cl)n1 ZINC000840908253 639580536 /nfs/dbraw/zinc/58/05/36/639580536.db2.gz QWVCMCLKCCKHHE-UHFFFAOYSA-N 1 0 280.759 2.113 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000840908039 639580638 /nfs/dbraw/zinc/58/06/38/639580638.db2.gz NGFLCHZFTZVXLR-CQSZACIVSA-N 1 0 262.397 2.265 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@](C)(O)C2)c(Cl)c1 ZINC000840918782 639585709 /nfs/dbraw/zinc/58/57/09/639585709.db2.gz JRMQBENLUQGLPL-ZDUSSCGKSA-N 1 0 255.745 2.311 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(O)CCCC1 ZINC000840933980 639591584 /nfs/dbraw/zinc/59/15/84/639591584.db2.gz LBEAMNGXNQDKMN-UHFFFAOYSA-N 1 0 262.397 2.456 20 10 CECDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938390 639592452 /nfs/dbraw/zinc/59/24/52/639592452.db2.gz OLWJNTYEKJLTDT-IYKSTZQJSA-N 1 0 262.397 2.478 20 10 CECDRO COC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)C[C@H](C)O1 ZINC000840940095 639593882 /nfs/dbraw/zinc/59/38/82/639593882.db2.gz UKABSFHGLYCHGL-WMLDXEAASA-N 1 0 292.423 2.297 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840942170 639595562 /nfs/dbraw/zinc/59/55/62/639595562.db2.gz UQPXCAHZBGZKKA-UKRRQHHQSA-N 1 0 290.407 2.492 20 10 CECDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840941952 639595650 /nfs/dbraw/zinc/59/56/50/639595650.db2.gz HXAYIIOHWWEWKG-HNNXBMFYSA-N 1 0 296.798 2.312 20 10 CECDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(O)cc(C)cc3Cl)C[C@@H]21 ZINC000840949720 639597394 /nfs/dbraw/zinc/59/73/94/639597394.db2.gz BOYMRXCPCVUWJP-MSRIBSCDSA-N 1 0 295.766 2.205 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@]2(C)CCC(=O)N2)c(Cl)c1 ZINC000840953292 639599190 /nfs/dbraw/zinc/59/91/90/639599190.db2.gz OGCBBKNNKMWNQY-CQSZACIVSA-N 1 0 282.771 2.112 20 10 CECDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840950635 639599369 /nfs/dbraw/zinc/59/93/69/639599369.db2.gz MEAZYZOWDYACOY-AWEZNQCLSA-N 1 0 250.386 2.264 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000840957849 639601047 /nfs/dbraw/zinc/60/10/47/639601047.db2.gz GKJPUTWIOZGMQQ-VHSXEESVSA-N 1 0 253.367 2.384 20 10 CECDRO Cc1cc(O)c(C[NH2+]C(C)(C)CN2CCOCC2)cc1C ZINC000840961337 639602817 /nfs/dbraw/zinc/60/28/17/639602817.db2.gz ALYFXLMBROSFRS-UHFFFAOYSA-N 1 0 292.423 2.209 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000840971290 639605848 /nfs/dbraw/zinc/60/58/48/639605848.db2.gz LAYWGZKXRXWVNF-YPMHNXCESA-N 1 0 287.306 2.039 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@H](OC)C2(C)C)c1O ZINC000227827925 639606487 /nfs/dbraw/zinc/60/64/87/639606487.db2.gz HRSSEDQWSHKVHF-OLZOCXBDSA-N 1 0 265.353 2.304 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000840977536 639606997 /nfs/dbraw/zinc/60/69/97/639606997.db2.gz ITGMYBZXFRAUDA-RYUDHWBXSA-N 1 0 265.353 2.042 20 10 CECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000840975161 639607096 /nfs/dbraw/zinc/60/70/96/639607096.db2.gz MBXBGVJKWMCUTR-INIZCTEOSA-N 1 0 293.363 2.176 20 10 CECDRO [NH3+]CCCN1CCCc2cc(OC(F)F)ccc21 ZINC000841011259 639617457 /nfs/dbraw/zinc/61/74/57/639617457.db2.gz GCPHGBRFECHZKA-UHFFFAOYSA-N 1 0 256.296 2.389 20 10 CECDRO Nc1ccc(CC[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000841034571 639626656 /nfs/dbraw/zinc/62/66/56/639626656.db2.gz DBHOJVQITRJXQQ-UHFFFAOYSA-N 1 0 286.331 2.035 20 10 CECDRO C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000841064424 639639295 /nfs/dbraw/zinc/63/92/95/639639295.db2.gz QGXHUGDSUQVUQS-SKDRFNHKSA-N 1 0 299.212 2.242 20 10 CECDRO CC1([NH2+]Cc2cccc(Cl)c2[O-])CC[NH2+]CC1 ZINC000841063981 639639856 /nfs/dbraw/zinc/63/98/56/639639856.db2.gz DDVCDKIVUOMTFT-UHFFFAOYSA-N 1 0 254.761 2.277 20 10 CECDRO [NH3+]CC[C@H](NCc1c(O)cccc1Cl)C(F)F ZINC000841074162 639645090 /nfs/dbraw/zinc/64/50/90/639645090.db2.gz MQIPKVYYMUMPKN-VIFPVBQESA-N 1 0 264.703 2.118 20 10 CECDRO CCOc1ccc(CN[C@H]2CC[NH2+]C2(C)C)c(O)c1 ZINC000841085461 639650544 /nfs/dbraw/zinc/65/05/44/639650544.db2.gz DDWIQEDWDPRAFO-AWEZNQCLSA-N 1 0 264.369 2.021 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](CN)C2CCCC2)c1 ZINC000841087068 639652309 /nfs/dbraw/zinc/65/23/09/639652309.db2.gz MKBKNPLCTSHYMV-AWEZNQCLSA-N 1 0 264.369 2.008 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@@]1(C)C[NH3+] ZINC000841090572 639652866 /nfs/dbraw/zinc/65/28/66/639652866.db2.gz LBWDTDYKRLAMSR-QMTHXVAHSA-N 1 0 268.788 2.462 20 10 CECDRO CCOc1ccc(O)c(CN[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000841091252 639654902 /nfs/dbraw/zinc/65/49/02/639654902.db2.gz VVWOHXLMTODTKU-LBPRGKRZSA-N 1 0 292.301 2.160 20 10 CECDRO C[NH2+]C[C@@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229102448 639676789 /nfs/dbraw/zinc/67/67/89/639676789.db2.gz ZGSJZDVZIDGTFD-NSHDSACASA-N 1 0 298.814 2.486 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C)cn2)c1 ZINC000061320124 639696827 /nfs/dbraw/zinc/69/68/27/639696827.db2.gz ZSIUWJOSPBYAKE-NSHDSACASA-N 1 0 273.336 2.350 20 10 CECDRO COc1cccc(CN2CCCC[C@@H]2[C@H](C)[NH3+])c1O ZINC000063191264 639837754 /nfs/dbraw/zinc/83/77/54/639837754.db2.gz XHYLCCOROGYTHP-WCQYABFASA-N 1 0 264.369 2.103 20 10 CECDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)OC ZINC000841754999 639858167 /nfs/dbraw/zinc/85/81/67/639858167.db2.gz XHTWKQXWUULLOT-GXSJLCMTSA-N 1 0 273.760 2.358 20 10 CECDRO C[C@H]1CC[C@@H](CN2CCCc3cc(C[NH3+])ccc32)O1 ZINC000232007580 639891646 /nfs/dbraw/zinc/89/16/46/639891646.db2.gz ZTHJXHXSWHMBOA-WFASDCNBSA-N 1 0 260.381 2.465 20 10 CECDRO CCC[NH2+]CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841881954 639898003 /nfs/dbraw/zinc/89/80/03/639898003.db2.gz FSEBNJAZXTVQFN-ZDUSSCGKSA-N 1 0 292.427 2.112 20 10 CECDRO CN(Cc1ccccc1O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000841988942 639916546 /nfs/dbraw/zinc/91/65/46/639916546.db2.gz VXFFAMBUYBLIRM-CQSZACIVSA-N 1 0 291.395 2.051 20 10 CECDRO C[C@H](CCC[NH3+])NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842000102 639917118 /nfs/dbraw/zinc/91/71/18/639917118.db2.gz UKJKVMFXPVGKLX-CYBMUJFWSA-N 1 0 292.427 2.021 20 10 CECDRO Cc1ccc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c(O)c1 ZINC000877046780 650546037 /nfs/dbraw/zinc/54/60/37/650546037.db2.gz SYDTXHWIUMBQKJ-INIZCTEOSA-N 1 0 290.407 2.437 20 10 CECDRO COc1ncncc1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000842699165 640154097 /nfs/dbraw/zinc/15/40/97/640154097.db2.gz JBZOQXMOBNJYOK-GFCCVEGCSA-N 1 0 286.379 2.402 20 10 CECDRO COCC1(CC[NH2+]Cc2cccc(OC)c2O)CC1 ZINC000842728159 640160642 /nfs/dbraw/zinc/16/06/42/640160642.db2.gz AXWRLVVZUKJERO-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cccc(F)c1O ZINC000843045890 640250933 /nfs/dbraw/zinc/25/09/33/640250933.db2.gz LMRPJZBWUYTYPX-GXFFZTMASA-N 1 0 252.333 2.233 20 10 CECDRO CN(C)c1ccc(CN2CCC[C@H](C[NH3+])C2)cc1F ZINC000843047848 640252365 /nfs/dbraw/zinc/25/23/65/640252365.db2.gz YSSPKFNWSIMSRA-CYBMUJFWSA-N 1 0 265.376 2.062 20 10 CECDRO C[NH2+]C[C@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000843052177 640255382 /nfs/dbraw/zinc/25/53/82/640255382.db2.gz JWCPQYADVKGKDJ-LLVKDONJSA-N 1 0 268.788 2.395 20 10 CECDRO COC(=O)c1ccc(CN2CCCc3cc(C[NH3+])ccc32)[nH]1 ZINC000843057748 640260060 /nfs/dbraw/zinc/26/00/60/640260060.db2.gz HSZDFDWWZUJBDZ-UHFFFAOYSA-N 1 0 299.374 2.213 20 10 CECDRO COc1cc(N(C)C[C@@]2(C)CC[NH2+]C2)cc(OC)c1OC ZINC000843068820 640266928 /nfs/dbraw/zinc/26/69/28/640266928.db2.gz MLGFINKEJBJWBF-INIZCTEOSA-N 1 0 294.395 2.148 20 10 CECDRO CCOc1cccc(CN2CC[NH2+][C@@H](C(C)C)C2)c1O ZINC000843105053 640282569 /nfs/dbraw/zinc/28/25/69/640282569.db2.gz PAZZYJPHPGILGM-CQSZACIVSA-N 1 0 278.396 2.221 20 10 CECDRO CC(C)([NH3+])CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843117149 640287044 /nfs/dbraw/zinc/28/70/44/640287044.db2.gz VTLYBLOFIAXKSS-AWEZNQCLSA-N 1 0 278.396 2.111 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843120541 640289593 /nfs/dbraw/zinc/28/95/93/640289593.db2.gz PBAYYRJCZIBYTP-CQSZACIVSA-N 1 0 266.772 2.231 20 10 CECDRO Cc1cc(Cl)cc(CN2CC[NH2+]C[C@@](C)(F)C2)c1O ZINC000843124827 640291002 /nfs/dbraw/zinc/29/10/02/640291002.db2.gz IHKJIBNWEMCPTH-CQSZACIVSA-N 1 0 286.778 2.487 20 10 CECDRO c1cc(CN[C@H]2CC[NH2+]C23CCCC3)cc2c1OCC2 ZINC000843128548 640295501 /nfs/dbraw/zinc/29/55/01/640295501.db2.gz MJJHMBDSBZMSRG-INIZCTEOSA-N 1 0 272.392 2.386 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c(O)c1 ZINC000877095208 650569821 /nfs/dbraw/zinc/56/98/21/650569821.db2.gz PPRXNXLFSDBKMB-IUODEOHRSA-N 1 0 260.381 2.273 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000843352903 640400245 /nfs/dbraw/zinc/40/02/45/640400245.db2.gz ZDHMVLPISRHTFY-KGLIPLIRSA-N 1 0 292.354 2.060 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000914435590 640407080 /nfs/dbraw/zinc/40/70/80/640407080.db2.gz HSEDXUDQEZWFJI-OLZOCXBDSA-N 1 0 251.301 2.046 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1O ZINC000843418384 640421531 /nfs/dbraw/zinc/42/15/31/640421531.db2.gz SMYOFUNBNRASQO-HNNXBMFYSA-N 1 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BJHYLUPLBJQXKU-NWDGAFQWSA-N 1 0 264.369 2.093 20 10 CECDRO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)CCO1 ZINC000022005050 650596030 /nfs/dbraw/zinc/59/60/30/650596030.db2.gz XSDYIVHJWQYXQH-NSHDSACASA-N 1 0 258.321 2.161 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc3n(n2)CCC3)c1 ZINC000844313543 640673526 /nfs/dbraw/zinc/67/35/26/640673526.db2.gz TVDIJLLLRZFJIQ-NSHDSACASA-N 1 0 287.363 2.394 20 10 CECDRO CCN(CC)C(=O)C[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000916568160 640783502 /nfs/dbraw/zinc/78/35/02/640783502.db2.gz ITOGRCMVABJSEB-UHFFFAOYSA-N 1 0 294.395 2.009 20 10 CECDRO COCCCOCC[N@H+](C)Cc1c(C)cccc1O ZINC000877173053 650610274 /nfs/dbraw/zinc/61/02/74/650610274.db2.gz XJMSZRPQKFKCGQ-UHFFFAOYSA-N 1 0 267.369 2.186 20 10 CECDRO COCC[NH2+]C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000844901009 640860596 /nfs/dbraw/zinc/86/05/96/640860596.db2.gz TXEQXMIUCAVFHF-UHFFFAOYSA-N 1 0 298.814 2.246 20 10 CECDRO CCOc1cccc(C[NH2+]CCC2(CO)CCC2)c1O ZINC000846102613 641181963 /nfs/dbraw/zinc/18/19/63/641181963.db2.gz PLASXPVEUGFGLR-UHFFFAOYSA-N 1 0 279.380 2.433 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](CCO)CSC)c1O ZINC000846144530 641200370 /nfs/dbraw/zinc/20/03/70/641200370.db2.gz LCXJSAZIHXRUFM-QWRGUYRKSA-N 1 0 285.409 2.165 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCCN(C)C2)c1O ZINC000846144560 641200720 /nfs/dbraw/zinc/20/07/20/641200720.db2.gz MJZGPDGZWXYVPV-RYUDHWBXSA-N 1 0 264.369 2.146 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000846144311 641200766 /nfs/dbraw/zinc/20/07/66/641200766.db2.gz CDWHGHDNLPQIRU-RYUDHWBXSA-N 1 0 292.379 2.062 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCOCC2CC2)c1O ZINC000846146341 641202165 /nfs/dbraw/zinc/20/21/65/641202165.db2.gz QDLDBTBCAYOXLG-LLVKDONJSA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CCCO)c1O ZINC000846150471 641202982 /nfs/dbraw/zinc/20/29/82/641202982.db2.gz POCPKWMVJCFMJZ-QWRGUYRKSA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC2(O)CCCC2)c1O ZINC000846148145 641203230 /nfs/dbraw/zinc/20/32/30/641203230.db2.gz XGDUQXABWMHXOD-NSHDSACASA-N 1 0 265.353 2.357 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCOC[C@H]2CCOC2)c1O ZINC000846148089 641203507 /nfs/dbraw/zinc/20/35/07/641203507.db2.gz XCOXIMVWLRQSKA-OLZOCXBDSA-N 1 0 295.379 2.105 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1O ZINC000846152858 641204541 /nfs/dbraw/zinc/20/45/41/641204541.db2.gz FDYOGDGXHXERPG-JQWIXIFHSA-N 1 0 287.363 2.332 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1O ZINC000846153688 641205412 /nfs/dbraw/zinc/20/54/12/641205412.db2.gz ZWPCUEIWHKHTOV-VOMCLLRMSA-N 1 0 292.379 2.096 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCCNC(=O)C(C)C)c1O ZINC000846157063 641206837 /nfs/dbraw/zinc/20/68/37/641206837.db2.gz JBGKHINRQLPKEW-GFCCVEGCSA-N 1 0 294.395 2.214 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCC[C@@H](C)CO)c1O ZINC000846158353 641206864 /nfs/dbraw/zinc/20/68/64/641206864.db2.gz WUZCLKQHHBOMIC-VXGBXAGGSA-N 1 0 267.369 2.460 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2COCC2(C)C)c1O ZINC000846167996 641210914 /nfs/dbraw/zinc/21/09/14/641210914.db2.gz FYFOZFKSHKQKNR-GXFFZTMASA-N 1 0 265.353 2.476 20 10 CECDRO CC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000846187994 641216971 /nfs/dbraw/zinc/21/69/71/641216971.db2.gz DNXOKBLKLVXGQE-XRNSZHNASA-N 1 0 282.771 2.350 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000846190565 641217693 /nfs/dbraw/zinc/21/76/93/641217693.db2.gz RFWZVQIAAVBPCA-BNOWGMLFSA-N 1 0 275.396 2.057 20 10 CECDRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccc(N(C)C)cc1 ZINC000846214247 641225127 /nfs/dbraw/zinc/22/51/27/641225127.db2.gz LJEDTOAZYSDCRG-PBHICJAKSA-N 1 0 292.423 2.335 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccccc1O ZINC000877255448 650643589 /nfs/dbraw/zinc/64/35/89/650643589.db2.gz DGIBUIMAFKGQTE-GBOPCIDUSA-N 1 0 288.391 2.490 20 10 CECDRO CC[C@]1(C(=O)N[C@@H](C)c2ccccc2O)CCC[NH2+]1 ZINC000877255266 650643655 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CC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@@H](O)C(F)F ZINC000877561175 650789397 /nfs/dbraw/zinc/78/93/97/650789397.db2.gz IICOKYDCMGLCEL-CMPLNLGQSA-N 1 0 259.296 2.195 20 10 CECDRO CCOC(=O)[C@H](F)C1C[NH+](Cc2c(C)cccc2O)C1 ZINC000877550731 650783040 /nfs/dbraw/zinc/78/30/40/650783040.db2.gz RIAKPPXZIFUKSR-CQSZACIVSA-N 1 0 281.327 2.034 20 10 CECDRO Cc1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c(O)c1 ZINC000877553605 650784040 /nfs/dbraw/zinc/78/40/40/650784040.db2.gz AUHBTSYNTCHHAL-SJORKVTESA-N 1 0 291.391 2.110 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922157054 642912230 /nfs/dbraw/zinc/91/22/30/642912230.db2.gz VNHZXWYIUVNEQI-DOTOQJQBSA-N 1 0 291.391 2.153 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](O)C(F)(F)F ZINC000922310712 643018146 /nfs/dbraw/zinc/01/81/46/643018146.db2.gz ZPAVCBPBPSBJJA-ZANVPECISA-N 1 0 289.297 2.413 20 10 CECDRO C[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1CCC[NH3+] ZINC000851646079 643107592 /nfs/dbraw/zinc/10/75/92/643107592.db2.gz 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CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000839147360 644158165 /nfs/dbraw/zinc/15/81/65/644158165.db2.gz INSGUEZEYWENLL-BJHJDKERSA-N 1 0 251.326 2.058 20 10 CECDRO COc1ccc(O)c(C[NH+]2CC3(CC(F)C3)C2)c1 ZINC000839139033 644171166 /nfs/dbraw/zinc/17/11/66/644171166.db2.gz BHUATMWMJLNYIS-UHFFFAOYSA-N 1 0 251.301 2.335 20 10 CECDRO CCNC(=O)C1C[NH+](Cc2ccc(N(CC)CC)cc2)C1 ZINC000839139883 644171945 /nfs/dbraw/zinc/17/19/45/644171945.db2.gz XVXCXYXPERNIOO-UHFFFAOYSA-N 1 0 289.423 2.101 20 10 CECDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)n1C ZINC000877755425 650898885 /nfs/dbraw/zinc/89/88/85/650898885.db2.gz AWNHIFNYQXOMNE-LLVKDONJSA-N 1 0 288.347 2.368 20 10 CECDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2O)n1C ZINC000877757962 650900206 /nfs/dbraw/zinc/90/02/06/650900206.db2.gz AWNHIFNYQXOMNE-NSHDSACASA-N 1 0 288.347 2.368 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CCSC[C@H]2CO)c1O ZINC000877779877 650907321 /nfs/dbraw/zinc/90/73/21/650907321.db2.gz GZRLCVZCLNHSTD-GFCCVEGCSA-N 1 0 287.812 2.264 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@H]2CC(C)(C)CO2)cc1OC ZINC000877805097 650915829 /nfs/dbraw/zinc/91/58/29/650915829.db2.gz IQXFQIZUCJNOJH-GFCCVEGCSA-N 1 0 295.379 2.314 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)c2c1c(F)ccc2O ZINC000756372211 644637372 /nfs/dbraw/zinc/63/73/72/644637372.db2.gz PJHWJMILHSPFJP-SKDRFNHKSA-N 1 0 292.354 2.195 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCOC[C@@H]2C)c(O)c1 ZINC000756533050 644659869 /nfs/dbraw/zinc/65/98/69/644659869.db2.gz HOOHVXKISUMQMM-UONOGXRCSA-N 1 0 278.396 2.072 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756733920 644687447 /nfs/dbraw/zinc/68/74/47/644687447.db2.gz RSQNCZFZQCQEGT-QWHCGFSZSA-N 1 0 267.369 2.403 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000756731551 644687500 /nfs/dbraw/zinc/68/75/00/644687500.db2.gz CAWPDJSDTLJFIS-NWDGAFQWSA-N 1 0 283.368 2.103 20 10 CECDRO C[C@@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(=O)N(C)C ZINC000756738235 644688248 /nfs/dbraw/zinc/68/82/48/644688248.db2.gz 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ZINC000761219334 645258529 /nfs/dbraw/zinc/25/85/29/645258529.db2.gz NMVBKYRRGJOWMQ-UHFFFAOYSA-N 1 0 266.360 2.239 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccc(N(C)C)cc1 ZINC000859258665 645439452 /nfs/dbraw/zinc/43/94/52/645439452.db2.gz RQQDEWCUATYQEY-BBRMVZONSA-N 1 0 292.423 2.069 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000763381870 645540344 /nfs/dbraw/zinc/54/03/44/645540344.db2.gz JEAJSAPLAOLLJI-CQSZACIVSA-N 1 0 297.420 2.018 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H](CCO)C2CCOCC2)cc1 ZINC000763467822 645548931 /nfs/dbraw/zinc/54/89/31/645548931.db2.gz TUEXCPYLBCCWIQ-QGZVFWFLSA-N 1 0 292.423 2.020 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)cc1 ZINC000766437531 645886413 /nfs/dbraw/zinc/88/64/13/645886413.db2.gz PAZXPFKBNLCGHK-BBRMVZONSA-N 1 0 289.423 2.414 20 10 CECDRO CCOc1ccc(C[NH+]2CCC(OC)CC2)c(O)c1 ZINC000768215298 646098172 /nfs/dbraw/zinc/09/81/72/646098172.db2.gz CGBLYVBWGZDSKY-UHFFFAOYSA-N 1 0 265.353 2.402 20 10 CECDRO CCOc1ccc(C[NH+]2CCN(C3CC3)CC2)c(O)c1 ZINC000768244421 646101078 /nfs/dbraw/zinc/10/10/78/646101078.db2.gz KUHGHXPYQXVFDQ-UHFFFAOYSA-N 1 0 276.380 2.071 20 10 CECDRO CCOc1ccc(C[N@H+](C)C[C@@H]2CCCO2)c(O)c1 ZINC000768249267 646101290 /nfs/dbraw/zinc/10/12/90/646101290.db2.gz PIZISMGKHIRMPH-AWEZNQCLSA-N 1 0 265.353 2.402 20 10 CECDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441716 646122702 /nfs/dbraw/zinc/12/27/02/646122702.db2.gz GPDILEMOADUJQJ-ZFWWWQNUSA-N 1 0 277.364 2.438 20 10 CECDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CCCC1 ZINC000768442046 646122716 /nfs/dbraw/zinc/12/27/16/646122716.db2.gz NZQYPLIFIQUPPN-CQSZACIVSA-N 1 0 263.337 2.192 20 10 CECDRO C[N@H+](CCC1CC1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462157 646126669 /nfs/dbraw/zinc/12/66/69/646126669.db2.gz KFPMGVCROBLNJH-CQSZACIVSA-N 1 0 263.337 2.050 20 10 CECDRO Oc1cc2c(cc1C[NH+]1C[C@@H]3CCCC[C@H]3C1)[C@H](O)CO2 ZINC000768465247 646127635 /nfs/dbraw/zinc/12/76/35/646127635.db2.gz YQQMPBBACLSBMJ-MQIPJXDCSA-N 1 0 289.375 2.440 20 10 CECDRO CC1(C)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768465628 646127808 /nfs/dbraw/zinc/12/78/08/646127808.db2.gz JNUHLGVUQQMBGD-ZDUSSCGKSA-N 1 0 263.337 2.050 20 10 CECDRO COc1cccc(O)c1C[N@H+]1CCC[C@@H](OC)C1 ZINC000768755169 646159057 /nfs/dbraw/zinc/15/90/57/646159057.db2.gz VXQBCIQCPUVDPV-LLVKDONJSA-N 1 0 251.326 2.012 20 10 CECDRO CCOc1ccc(O)c(CN2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000769381126 646256485 /nfs/dbraw/zinc/25/64/85/646256485.db2.gz LIWVOUGWKGNEJI-CYBMUJFWSA-N 1 0 278.396 2.317 20 10 CECDRO CCOCC[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000769790061 646315634 /nfs/dbraw/zinc/31/56/34/646315634.db2.gz UHQOBAYFBBBMKR-CZUORRHYSA-N 1 0 280.412 2.191 20 10 CECDRO CC[N@H+](CC(=O)NCc1ccc2cccnc2c1O)C1CC1 ZINC000862027380 646326808 /nfs/dbraw/zinc/32/68/08/646326808.db2.gz QAKBVLNEDKILFA-UHFFFAOYSA-N 1 0 299.374 2.041 20 10 CECDRO CCOc1ccc(C[N@H+](CCO)[C@H](C)CC)c(O)c1 ZINC000862388033 646431259 /nfs/dbraw/zinc/43/12/59/646431259.db2.gz UVXYNTQOKDNNAL-GFCCVEGCSA-N 1 0 267.369 2.384 20 10 CECDRO COc1cc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c(O)cc1C ZINC000863305111 646700467 /nfs/dbraw/zinc/70/04/67/646700467.db2.gz UOISLCPZBSNLKP-DZGCQCFKSA-N 1 0 277.364 2.463 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CN(C)CCO1 ZINC000773072000 646702769 /nfs/dbraw/zinc/70/27/69/646702769.db2.gz MRNNJCUXHWELQO-JJRVBVJISA-N 1 0 291.439 2.122 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(Br)ccc1O ZINC000863483859 646739768 /nfs/dbraw/zinc/73/97/68/646739768.db2.gz QJZGMYPCDHKJAR-NWDGAFQWSA-N 1 0 299.212 2.385 20 10 CECDRO CCN(CC[NH3+])Cc1ccc(N2CCCCC2)cc1 ZINC000863644668 646776201 /nfs/dbraw/zinc/77/62/01/646776201.db2.gz FRFCNQJOXKWXBB-UHFFFAOYSA-N 1 0 261.413 2.458 20 10 CECDRO CCN(C)c1ccc(C[N@H+]2C[C@H](COC)O[C@@H](C)C2)cc1 ZINC000773888795 646784812 /nfs/dbraw/zinc/78/48/12/646784812.db2.gz OJMUBHAPMJHAIH-WMLDXEAASA-N 1 0 292.423 2.378 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2OC)c1O ZINC000774831727 646900389 /nfs/dbraw/zinc/90/03/89/646900389.db2.gz YAGORTNXCFWRGP-YPMHNXCESA-N 1 0 265.353 2.306 20 10 CECDRO CC[C@H]([NH2+]C[C@H](O)CN(C)C)c1cc(Cl)ccc1O ZINC000775501297 646960636 /nfs/dbraw/zinc/96/06/36/646960636.db2.gz GCMIVIQYMFUXGC-AAEUAGOBSA-N 1 0 286.803 2.009 20 10 CECDRO CC[C@@H]([NH2+]CCNc1cnccn1)c1ccccc1O ZINC000775512686 646961409 /nfs/dbraw/zinc/96/14/09/646961409.db2.gz AGPKWECVUBTMNZ-CYBMUJFWSA-N 1 0 272.352 2.335 20 10 CECDRO CC[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccccc1O ZINC000775551293 646965115 /nfs/dbraw/zinc/96/51/15/646965115.db2.gz LZNMFBUBJPAWQW-GJZGRUSLSA-N 1 0 279.380 2.220 20 10 CECDRO COc1cc(O)c(C[N@H+](CCO)CC(C)(C)C)cc1OC ZINC000775682627 646980880 /nfs/dbraw/zinc/98/08/80/646980880.db2.gz ZNMRAAUYPQQHOL-UHFFFAOYSA-N 1 0 297.395 2.250 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)[C@@H](C)CN1C ZINC000775986252 647013801 /nfs/dbraw/zinc/01/38/01/647013801.db2.gz QOUNBRDGGGNPSG-KBPBESRZSA-N 1 0 261.413 2.277 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2O)cn1 ZINC000120070092 647018815 /nfs/dbraw/zinc/01/88/15/647018815.db2.gz XTCFTZIYXBJAFA-UHFFFAOYSA-N 1 0 271.364 2.485 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CCSC2)cc1OC ZINC000776222881 647038090 /nfs/dbraw/zinc/03/80/90/647038090.db2.gz MOKVWBJRQOIQAE-JTQLQIEISA-N 1 0 269.366 2.005 20 10 CECDRO C[C@@H](NC(=O)N(C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776245946 647040944 /nfs/dbraw/zinc/04/09/44/647040944.db2.gz IPNRRSBUYFAFQQ-CYBMUJFWSA-N 1 0 292.427 2.017 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCC[C@H]2OC)cc1OC ZINC000776257548 647043422 /nfs/dbraw/zinc/04/34/22/647043422.db2.gz YFXBDDNGPIUTFU-BXUZGUMPSA-N 1 0 295.379 2.314 20 10 CECDRO CC[C@H](COC)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000120230273 647104344 /nfs/dbraw/zinc/10/43/44/647104344.db2.gz GXDLLXNLMVTMCF-CQSZACIVSA-N 1 0 296.386 2.177 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)cc1 ZINC000778189106 647207416 /nfs/dbraw/zinc/20/74/16/647207416.db2.gz NEASZYWTJNFZFM-CQSZACIVSA-N 1 0 270.380 2.054 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c(O)c1 ZINC000778216194 647211846 /nfs/dbraw/zinc/21/18/46/647211846.db2.gz KDVLONQKLHPRFG-SWLSCSKDSA-N 1 0 279.380 2.432 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000120533807 647276947 /nfs/dbraw/zinc/27/69/47/647276947.db2.gz RGOGXEUQFWRWQE-JJRVBVJISA-N 1 0 290.407 2.351 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CCn3ccnc3C2)c1O ZINC000779192199 647295666 /nfs/dbraw/zinc/29/56/66/647295666.db2.gz LKGWVIJIQQIZAJ-ZDUSSCGKSA-N 1 0 257.337 2.002 20 10 CECDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](O)C(F)(F)F ZINC000865711814 647434117 /nfs/dbraw/zinc/43/41/17/647434117.db2.gz RBBUYFJXUDIPQW-WKEGUHRASA-N 1 0 283.677 2.447 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000865754199 647452420 /nfs/dbraw/zinc/45/24/20/647452420.db2.gz UHUSGZKBMQXOKU-RKDXNWHRSA-N 1 0 261.243 2.441 20 10 CECDRO C[NH+]1CCN(c2ccc(CN3CCC=C(F)C3)cc2)CC1 ZINC000780895518 647478197 /nfs/dbraw/zinc/47/81/97/647478197.db2.gz WUNOJCDVBKVMOP-UHFFFAOYSA-N 1 0 289.398 2.498 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ccnn2C)c1 ZINC000865838996 647485949 /nfs/dbraw/zinc/48/59/49/647485949.db2.gz GAZMAONVWFUCGM-NSHDSACASA-N 1 0 275.352 2.375 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)C[C@H](C)O)c(O)c1 ZINC000782977134 647667705 /nfs/dbraw/zinc/66/77/05/647667705.db2.gz BYRIHBZSDVLKOB-MNOVXSKESA-N 1 0 253.342 2.040 20 10 CECDRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccccc1O ZINC000783507884 647723281 /nfs/dbraw/zinc/72/32/81/647723281.db2.gz CAIDFDZUUADXNL-CHWSQXEVSA-N 1 0 265.353 2.096 20 10 CECDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000783714794 647750477 /nfs/dbraw/zinc/75/04/77/647750477.db2.gz CXPCUQDNJAKQMS-CQSZACIVSA-N 1 0 296.386 2.129 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000866445496 647789883 /nfs/dbraw/zinc/78/98/83/647789883.db2.gz PTVGPDRAZDDLDJ-GPKDWTCOSA-N 1 0 289.375 2.475 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1O ZINC000866447005 647790925 /nfs/dbraw/zinc/79/09/25/647790925.db2.gz VWBURGRUHZPJHT-DCNSNWNLSA-N 1 0 289.375 2.475 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000784664386 647872742 /nfs/dbraw/zinc/87/27/42/647872742.db2.gz QMNGNGIEWUOHFQ-LBPRGKRZSA-N 1 0 265.353 2.307 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)c1O ZINC000866721379 647882006 /nfs/dbraw/zinc/88/20/06/647882006.db2.gz VRLWDTSXWVHHDY-GJZGRUSLSA-N 1 0 292.354 2.060 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1O ZINC000785988841 647975400 /nfs/dbraw/zinc/97/54/00/647975400.db2.gz PLKQVJOIMRGUDQ-OBJOEFQTSA-N 1 0 279.380 2.382 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)[C@H]1C ZINC000787246479 648090186 /nfs/dbraw/zinc/09/01/86/648090186.db2.gz QEEMHISXVLZIRA-AAEUAGOBSA-N 1 0 293.363 2.093 20 10 CECDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868361724 648107061 /nfs/dbraw/zinc/10/70/61/648107061.db2.gz GKMLOPZCFMCISK-CHWSQXEVSA-N 1 0 293.411 2.483 20 10 CECDRO C[C@@H](NC(=O)N[C@@H](C)CC[NH+](C)C)c1ccccc1O ZINC000868366660 648109207 /nfs/dbraw/zinc/10/92/07/648109207.db2.gz TZMTXBADJHSHBC-NWDGAFQWSA-N 1 0 279.384 2.093 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCO[C@@H]2C)c2c1c(F)ccc2O ZINC000788623265 648209028 /nfs/dbraw/zinc/20/90/28/648209028.db2.gz KNKPCVNYBWEDPA-ZEQKQHQNSA-N 1 0 295.354 2.209 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCCS(C)(=O)=O)c(O)c1 ZINC000788643816 648210676 /nfs/dbraw/zinc/21/06/76/648210676.db2.gz HKMNQQKRVPZFGX-LBPRGKRZSA-N 1 0 285.409 2.094 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c(O)c1 ZINC000788971053 648239726 /nfs/dbraw/zinc/23/97/26/648239726.db2.gz ANOFTWQARCLTTG-AAEUAGOBSA-N 1 0 265.353 2.042 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C2(CC(N)=O)CCC2)c1O ZINC000789555118 648316457 /nfs/dbraw/zinc/31/64/57/648316457.db2.gz SEWNIFQRGITWJZ-UHFFFAOYSA-N 1 0 282.771 2.242 20 10 CECDRO C[C@H]1CCSCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000790477315 648420993 /nfs/dbraw/zinc/42/09/93/648420993.db2.gz JILOWLYIWHWMBC-HZMBPMFUSA-N 1 0 295.404 2.145 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)N(C)C ZINC000790743702 648443636 /nfs/dbraw/zinc/44/36/36/648443636.db2.gz YHBUYEVPZBZECC-WCABBAIRSA-N 1 0 280.343 2.146 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000790762181 648444961 /nfs/dbraw/zinc/44/49/61/648444961.db2.gz OPLQBBVUSVXUJV-QJPTWQEYSA-N 1 0 293.363 2.393 20 10 CECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1(F)CC1 ZINC000792773810 648673690 /nfs/dbraw/zinc/67/36/90/648673690.db2.gz KYORVLWEIIWFHZ-UHFFFAOYSA-N 1 0 278.371 2.457 20 10 CECDRO COC(=O)C(C)(C)CC[N@H+](C)Cc1ccccc1O ZINC000792787855 648674981 /nfs/dbraw/zinc/67/49/81/648674981.db2.gz ITGAUOBOWCQWJH-UHFFFAOYSA-N 1 0 265.353 2.413 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000793215935 648724840 /nfs/dbraw/zinc/72/48/40/648724840.db2.gz YPQWQWZQVATBHI-BDJLRTHQSA-N 1 0 277.364 2.400 20 10 CECDRO CN(C)c1ccc(C[NH2+]C(C)(C)C(=O)N2CCCC2)cc1 ZINC000793397502 648750361 /nfs/dbraw/zinc/75/03/61/648750361.db2.gz YPIIWSRZGJSKFV-UHFFFAOYSA-N 1 0 289.423 2.243 20 10 CECDRO CC(C)[C@H](C(=O)N[C@@H](C)c1ccccc1O)[C@H](C)[NH3+] ZINC000870987670 648970556 /nfs/dbraw/zinc/97/05/56/648970556.db2.gz ABYMNZPBDCNQBV-MJVIPROJSA-N 1 0 264.369 2.189 20 10 CECDRO COc1cc(O)c(C[NH2+]CCc2ccco2)cc1OC ZINC000123565486 649060811 /nfs/dbraw/zinc/06/08/11/649060811.db2.gz VBNAJWQSVIKOHV-UHFFFAOYSA-N 1 0 277.320 2.335 20 10 CECDRO O=C1OCC[C@H]1CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000872111729 649281238 /nfs/dbraw/zinc/28/12/38/649281238.db2.gz GDWXRHZJCYWRCJ-OLZOCXBDSA-N 1 0 275.348 2.312 20 10 CECDRO COC[C@H](C)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873006653 649529837 /nfs/dbraw/zinc/52/98/37/649529837.db2.gz NWASTYVUDRHFBD-ZDUSSCGKSA-N 1 0 289.379 2.065 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2)cc1C ZINC000873057159 649546011 /nfs/dbraw/zinc/54/60/11/649546011.db2.gz OPGRIOLLDKOWHF-HNNXBMFYSA-N 1 0 290.407 2.494 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCC[C@H]2CCOC2=O)c1 ZINC000873162810 649576024 /nfs/dbraw/zinc/57/60/24/649576024.db2.gz OTYPGHGCPMCKHH-LBPRGKRZSA-N 1 0 293.363 2.224 20 10 CECDRO Cc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000873217119 649594132 /nfs/dbraw/zinc/59/41/32/649594132.db2.gz WVZMYPBNIQJXHI-PHIMTYICSA-N 1 0 266.772 2.290 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000020120800 649727791 /nfs/dbraw/zinc/72/77/91/649727791.db2.gz RNOVYQLXOLFWBM-UHFFFAOYSA-N 1 0 271.316 2.453 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)CC1(O)CCCC1)c1ccccc1O ZINC000879650355 651335580 /nfs/dbraw/zinc/33/55/80/651335580.db2.gz WOKPIVNGZWZQCT-QWHCGFSZSA-N 1 0 279.380 2.099 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NCC(C)(C)C)c1ccccc1O ZINC000879650135 651335609 /nfs/dbraw/zinc/33/56/09/651335609.db2.gz KNPRPHJNICEIRE-LLVKDONJSA-N 1 0 264.369 2.205 20 10 CECDRO CC[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849694 651900826 /nfs/dbraw/zinc/90/08/26/651900826.db2.gz TYTVWBHRHRCMSZ-AWEZNQCLSA-N 1 0 289.423 2.101 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCCOC1 ZINC000883183573 652392693 /nfs/dbraw/zinc/39/26/93/652392693.db2.gz FCDFURAWRBBAPA-CVEARBPZSA-N 1 0 291.391 2.153 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)Cc2ccoc2)cc1 ZINC000883268355 652418549 /nfs/dbraw/zinc/41/85/49/652418549.db2.gz JDRGDPZKROHMOG-MRXNPFEDSA-N 1 0 288.391 2.286 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)cc1C ZINC000883403620 652457671 /nfs/dbraw/zinc/45/76/71/652457671.db2.gz YQORKGPIJGSVIG-HNNXBMFYSA-N 1 0 288.391 2.110 20 10 CECDRO COc1ccc(O)c(C[N@H+](CCN(C)C)CC(C)C)c1 ZINC000132548283 652531304 /nfs/dbraw/zinc/53/13/04/652531304.db2.gz JLLOWYVQEALQGL-UHFFFAOYSA-N 1 0 280.412 2.420 20 10 CECDRO CC[NH+](CC)CCCOC(=O)c1ccc(C)c(O)c1O ZINC000800158523 652665986 /nfs/dbraw/zinc/66/59/86/652665986.db2.gz RWIOXXVPDHYTDY-UHFFFAOYSA-N 1 0 281.352 2.295 20 10 CECDRO Cc1cc[nH+]c(NCCc2cc(O)c(O)cc2O)c1C ZINC001168006292 805660809 /nfs/dbraw/zinc/66/08/09/805660809.db2.gz KIULXMUTQIRDNR-UHFFFAOYSA-N 1 0 274.320 2.470 20 10 CECDRO CC1([NH3+])CN(Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001205001418 805825518 /nfs/dbraw/zinc/82/55/18/805825518.db2.gz RRIIOKUQBRIAGU-UHFFFAOYSA-N 1 0 274.364 2.109 20 10 CECDRO C[C@H]1C[C@@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CCO1 ZINC001168134590 806264452 /nfs/dbraw/zinc/26/44/52/806264452.db2.gz BKVBTLJZFXWMMV-FZMZJTMJSA-N 1 0 277.364 2.414 20 10 CECDRO CNC(=O)CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000138294384 806394362 /nfs/dbraw/zinc/39/43/62/806394362.db2.gz NMYVHIYBZRQAIO-UHFFFAOYSA-N 1 0 289.423 2.245 20 10 CECDRO Oc1cc(F)c(F)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001142520628 806614583 /nfs/dbraw/zinc/61/45/83/806614583.db2.gz MOELASSVUCZFNA-LBPRGKRZSA-N 1 0 282.334 2.341 20 10 CECDRO COCCC[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001209055330 802464888 /nfs/dbraw/zinc/46/48/88/802464888.db2.gz VWWZLGBQYOZRHN-UHFFFAOYSA-N 1 0 278.396 2.162 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](CO)C2)c1 ZINC000382327911 802632456 /nfs/dbraw/zinc/63/24/56/802632456.db2.gz WRQZPMPVKCYILS-AAEUAGOBSA-N 1 0 265.353 2.042 20 10 CECDRO CCOc1cccc(C[NH2+]CCOC2CCC2)c1O ZINC000690704819 802819983 /nfs/dbraw/zinc/81/99/83/802819983.db2.gz DMYQACQEWMBAOL-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO CN(C)C1(C[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000397917099 813646337 /nfs/dbraw/zinc/64/63/37/813646337.db2.gz FCAQVYQFRCRVRV-UHFFFAOYSA-N 1 0 299.212 2.339 20 10 CECDRO COc1cccc(C[NH2+][C@@H](CCO)C2CCCC2)c1O ZINC000725076716 803420191 /nfs/dbraw/zinc/42/01/91/803420191.db2.gz JSNAWMZKBCNWEH-AWEZNQCLSA-N 1 0 279.380 2.432 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](F)[C@@H](OC)C2)c(O)c1 ZINC001140850749 803584014 /nfs/dbraw/zinc/58/40/14/803584014.db2.gz SHSJJIGCLPULGG-HOCLYGCPSA-N 1 0 296.386 2.407 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001141156082 803758427 /nfs/dbraw/zinc/75/84/27/803758427.db2.gz DTYRSXAKUVHVPP-NHYWBVRUSA-N 1 0 263.337 2.099 20 10 CECDRO CNC(=O)CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000398351642 803876355 /nfs/dbraw/zinc/87/63/55/803876355.db2.gz JWROKTNPLDPBEZ-RYUDHWBXSA-N 1 0 276.380 2.365 20 10 CECDRO OC1CC2(C[C@@H]2[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000725001327 803891135 /nfs/dbraw/zinc/89/11/35/803891135.db2.gz MZWQLUGEKJSGRQ-CGZBRXJRSA-N 1 0 272.392 2.290 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CC[C@@H]1CCCS1)OCO2 ZINC000715759164 814990695 /nfs/dbraw/zinc/99/06/95/814990695.db2.gz YTBKEEAIXXMARX-NSHDSACASA-N 1 0 281.377 2.496 20 10 CECDRO CC[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1O ZINC000692842332 804136175 /nfs/dbraw/zinc/13/61/75/804136175.db2.gz NNLSBBDMBVDXCF-ZDUSSCGKSA-N 1 0 285.409 2.258 20 10 CECDRO C[C@H](O)CCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001118804513 815046120 /nfs/dbraw/zinc/04/61/20/815046120.db2.gz MJBFTGNCMNFQSC-JTQLQIEISA-N 1 0 272.339 2.281 20 10 CECDRO Oc1cc(O)c(CN2CCC([NH+]3CCC3)CC2)cc1Cl ZINC001232263630 807237852 /nfs/dbraw/zinc/23/78/52/807237852.db2.gz BYJXHJDEICTZLE-UHFFFAOYSA-N 1 0 296.798 2.421 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2COC[C@@H]2C)c1O ZINC000699846507 807877329 /nfs/dbraw/zinc/87/73/29/807877329.db2.gz IQEGEMYVMBSZSY-KWQFWETISA-N 1 0 271.744 2.179 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@](C)(CO)COC)cc1 ZINC000716882942 815157524 /nfs/dbraw/zinc/15/75/24/815157524.db2.gz CHZBRTUSHBFEEV-MRXNPFEDSA-N 1 0 280.412 2.020 20 10 CECDRO CN(C)c1ccc(CN2CCC[C@@H]2C[NH3+])c(Cl)c1 ZINC001236246719 808027593 /nfs/dbraw/zinc/02/75/93/808027593.db2.gz HVGRPCZLCYPZTI-CYBMUJFWSA-N 1 0 267.804 2.329 20 10 CECDRO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccc(N)cc2)cc1 ZINC001120269143 815209562 /nfs/dbraw/zinc/20/95/62/815209562.db2.gz NHQWYEKXCGCBOI-KRWDZBQOSA-N 1 0 284.407 2.124 20 10 CECDRO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001203555913 808697251 /nfs/dbraw/zinc/69/72/51/808697251.db2.gz JYJXXBSJPWCXRB-KRWDZBQOSA-N 1 0 288.391 2.369 20 10 CECDRO CC[C@](C)(O)C[NH2+]Cc1c(O)cccc1Br ZINC000706883700 809864657 /nfs/dbraw/zinc/86/46/57/809864657.db2.gz VXDNCTPCRCFPGE-LBPRGKRZSA-N 1 0 288.185 2.405 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1O ZINC001172164513 815326439 /nfs/dbraw/zinc/32/64/39/815326439.db2.gz BIDDXRQBMDGASI-YNEHKIRRSA-N 1 0 274.364 2.196 20 10 CECDRO C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1[O-])[NH+](C)C ZINC000708514886 809943802 /nfs/dbraw/zinc/94/38/02/809943802.db2.gz MTBGHKZOJSMKRV-VIFPVBQESA-N 1 0 258.312 2.100 20 10 CECDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172181513 815331912 /nfs/dbraw/zinc/33/19/12/815331912.db2.gz XRONDFUNAXOQEG-HUUCEWRRSA-N 1 0 288.391 2.368 20 10 CECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCON ZINC001120255702 810617122 /nfs/dbraw/zinc/61/71/22/810617122.db2.gz LXQVHAAPRGTCTF-WDEREUQCSA-N 1 0 250.342 2.119 20 10 CECDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCc1c(O)cccc1F ZINC001122258117 815396808 /nfs/dbraw/zinc/39/68/08/815396808.db2.gz LMTJJQNZQOJFPQ-CQSZACIVSA-N 1 0 294.370 2.445 20 10 CECDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1c(O)cccc1F ZINC001122258412 815397427 /nfs/dbraw/zinc/39/74/27/815397427.db2.gz UXSDNVBNRRQUDP-LBPRGKRZSA-N 1 0 282.359 2.172 20 10 CECDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CCN(C(C)=O)C1 ZINC001169563646 811569404 /nfs/dbraw/zinc/56/94/04/811569404.db2.gz RJTMEUSKEQAXQI-QGZVFWFLSA-N 1 0 289.423 2.195 20 10 CECDRO CCOC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2O)CC1 ZINC001169645414 811603185 /nfs/dbraw/zinc/60/31/85/811603185.db2.gz OGCTWRLIPWUWIZ-CQSZACIVSA-N 1 0 292.379 2.493 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CN(C(C)=O)C[C@@H]2C)cc1C ZINC001048092522 811937088 /nfs/dbraw/zinc/93/70/88/811937088.db2.gz PHKJCIMWJQVKCJ-BBRMVZONSA-N 1 0 290.407 2.208 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CN(C(C)=O)C[C@@H]2C)cc1C ZINC001048092546 811937553 /nfs/dbraw/zinc/93/75/53/811937553.db2.gz PHKJCIMWJQVKCJ-XJKSGUPXSA-N 1 0 290.407 2.208 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)CC[S@@](C)=O)c1O ZINC000691499883 811959258 /nfs/dbraw/zinc/95/92/58/811959258.db2.gz JQYOKBSQRSUODL-BBATYDOGSA-N 1 0 269.410 2.201 20 10 CECDRO CCc1cccc(C[NH2+]CC[C@H](C)[S@@](C)=O)c1O ZINC000691501384 811960992 /nfs/dbraw/zinc/96/09/92/811960992.db2.gz WQZLSEIRVXKBDI-BBATYDOGSA-N 1 0 269.410 2.201 20 10 CECDRO CCc1cccc(C[NH2+]CC[C@@H](C)[S@](C)=O)c1O ZINC000691501582 811966392 /nfs/dbraw/zinc/96/63/92/811966392.db2.gz WQZLSEIRVXKBDI-ZMZPIMSZSA-N 1 0 269.410 2.201 20 10 CECDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC001172742856 815499342 /nfs/dbraw/zinc/49/93/42/815499342.db2.gz AFHRYJLAFPJEJI-LLVKDONJSA-N 1 0 281.352 2.308 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c1O ZINC000691528503 812579715 /nfs/dbraw/zinc/57/97/15/812579715.db2.gz YGMPGULOOKENNZ-CQSZACIVSA-N 1 0 260.381 2.281 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001170525241 812622569 /nfs/dbraw/zinc/62/25/69/812622569.db2.gz QXRNVLJHWHMZFZ-KGLIPLIRSA-N 1 0 277.364 2.435 20 10 CECDRO CC[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001134069742 813205334 /nfs/dbraw/zinc/20/53/34/813205334.db2.gz GFMWIKMJTBAYJF-HUUCEWRRSA-N 1 0 290.407 2.256 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c1O ZINC000388841975 813244390 /nfs/dbraw/zinc/24/43/90/813244390.db2.gz UPUKCDMGUBIAGI-AAEUAGOBSA-N 1 0 265.353 2.306 20 10 CECDRO COCC[C@@H](COC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000389172946 813248515 /nfs/dbraw/zinc/24/85/15/813248515.db2.gz LOCLEEBPWONXNI-STQMWFEESA-N 1 0 265.353 2.021 20 10 CECDRO CCCN1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000389205086 813249444 /nfs/dbraw/zinc/24/94/44/813249444.db2.gz ATUONIACFVAWCX-KGLIPLIRSA-N 1 0 260.381 2.453 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2oc(C)nc2C)c1 ZINC000389248218 813249643 /nfs/dbraw/zinc/24/96/43/813249643.db2.gz CRRMXNWMLNYOQS-UHFFFAOYSA-N 1 0 262.309 2.295 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000394848810 813460395 /nfs/dbraw/zinc/46/03/95/813460395.db2.gz TYIPLERZAHSACJ-CYBMUJFWSA-N 1 0 289.423 2.242 20 10 CECDRO C[C@@]1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCOC1 ZINC000397168538 813604461 /nfs/dbraw/zinc/60/44/61/813604461.db2.gz CXIVPXXWYUCIAE-KRWDZBQOSA-N 1 0 290.407 2.039 20 10 CECDRO C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CS1 ZINC000397819826 813639602 /nfs/dbraw/zinc/63/96/02/813639602.db2.gz DLXAKJUHAPULHC-WPRPVWTQSA-N 1 0 267.350 2.105 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CSC[C@H]2C)c1 ZINC000397880780 813645420 /nfs/dbraw/zinc/64/54/20/813645420.db2.gz KGZYWSXCCOTDQN-SKDRFNHKSA-N 1 0 253.367 2.242 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CSC[C@@H]2C)c(O)c1 ZINC000397913091 813645505 /nfs/dbraw/zinc/64/55/05/813645505.db2.gz ZEJUJFLNBOYMCW-CABZTGNLSA-N 1 0 253.367 2.242 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CS[C@@H](C)C2)c(O)c1 ZINC000397975952 813650243 /nfs/dbraw/zinc/65/02/43/813650243.db2.gz OSLICDPMZHBWNY-GXSJLCMTSA-N 1 0 253.367 2.384 20 10 CECDRO C[NH+](C)CCN(C(=O)c1cccc(O)c1O)C1CCCC1 ZINC001144197417 813983775 /nfs/dbraw/zinc/98/37/75/813983775.db2.gz HJZPBGBQNSOKEQ-UHFFFAOYSA-N 1 0 292.379 2.044 20 10 CECDRO [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2O)CC(F)(F)C1 ZINC001206117792 814022987 /nfs/dbraw/zinc/02/29/87/814022987.db2.gz WQNKOCDRYWGOBF-JTQLQIEISA-N 1 0 276.714 2.214 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCOC3(CCCCC3)C2)c(O)c1 ZINC001144515315 814099616 /nfs/dbraw/zinc/09/96/16/814099616.db2.gz JPUZRZAVGSSMRP-UHFFFAOYSA-N 1 0 293.363 2.339 20 10 CECDRO C[N@@H+]1C[C@@H]2CCCN(Cc3c(F)ccc(F)c3[O-])[C@@H]2C1 ZINC001139682713 814727261 /nfs/dbraw/zinc/72/72/61/814727261.db2.gz BGTUSBJWATVOKL-IINYFYTJSA-N 1 0 282.334 2.196 20 10 CECDRO CCc1cccc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)c1O ZINC000713911936 814873517 /nfs/dbraw/zinc/87/35/17/814873517.db2.gz QXFNVNLMEVQKQL-UHFFFAOYSA-N 1 0 299.436 2.210 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H]2C[C@H](OC)C2)c1O ZINC000714671991 814911972 /nfs/dbraw/zinc/91/19/72/814911972.db2.gz FFKQMJFPGDOTOQ-AULYBMBSSA-N 1 0 265.353 2.306 20 10 CECDRO Oc1cccc(C[NH2+][C@H]2CCc3ncsc3C2)c1O ZINC001173142726 815601444 /nfs/dbraw/zinc/60/14/44/815601444.db2.gz WCNDDGNLENSQFX-JTQLQIEISA-N 1 0 276.361 2.201 20 10 CECDRO Cc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)ccc1N(C)C ZINC001139669832 815624367 /nfs/dbraw/zinc/62/43/67/815624367.db2.gz PRZUFMFHIOMFOX-WFASDCNBSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)ccc1N(C)C ZINC001139670203 815627510 /nfs/dbraw/zinc/62/75/10/815627510.db2.gz ZQTNVOSQTYJMLL-GDBMZVCRSA-N 1 0 280.387 2.356 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)ccc1N(C)C ZINC001139670204 815628163 /nfs/dbraw/zinc/62/81/63/815628163.db2.gz ZQTNVOSQTYJMLL-GOEBONIOSA-N 1 0 280.387 2.356 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)ccc1N(C)C ZINC001139670206 815628488 /nfs/dbraw/zinc/62/84/88/815628488.db2.gz ZQTNVOSQTYJMLL-ZBFHGGJFSA-N 1 0 280.387 2.356 20 10 CECDRO CCC[NH+]1C[C@H]2CN(Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137840403 815695719 /nfs/dbraw/zinc/69/57/19/815695719.db2.gz ZJJXQPNARCSLPU-STQMWFEESA-N 1 0 278.371 2.305 20 10 CECDRO COC(=O)CCCC[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001173440723 815716621 /nfs/dbraw/zinc/71/66/21/815716621.db2.gz IYIIXXDGXFFWGD-GFCCVEGCSA-N 1 0 295.379 2.352 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@]1(C)O ZINC001138122426 815731565 /nfs/dbraw/zinc/73/15/65/815731565.db2.gz DCZFWGXGYYRNAK-YGRLFVJLSA-N 1 0 253.317 2.124 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@](F)(CO)C2)c2ccccc2n1C ZINC001138252791 815754890 /nfs/dbraw/zinc/75/48/90/815754890.db2.gz UYUDDFCCOQUSKA-MRXNPFEDSA-N 1 0 276.355 2.393 20 10 CECDRO CC1(C[NH3+])CN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001206738154 816110584 /nfs/dbraw/zinc/11/05/84/816110584.db2.gz WBSVRNVMYAGJQV-UHFFFAOYSA-N 1 0 275.179 2.480 20 10 CECDRO CC[NH+](CC)C[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC001140055942 816179878 /nfs/dbraw/zinc/17/98/78/816179878.db2.gz BEDPIVARYQATHS-OAHLLOKOSA-N 1 0 296.386 2.074 20 10 CECDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140059920 816180560 /nfs/dbraw/zinc/18/05/60/816180560.db2.gz AWABNMHZWKCVHE-CYBMUJFWSA-N 1 0 280.343 2.022 20 10 CECDRO CCO[C@@H]1C[N@H+](Cc2cc(F)ccc2O)[C@@H]2CCCO[C@H]12 ZINC001140062712 816183218 /nfs/dbraw/zinc/18/32/18/816183218.db2.gz DZFQHNCUKHIMFA-BMFZPTHFSA-N 1 0 295.354 2.300 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)c1O ZINC001140178545 816204114 /nfs/dbraw/zinc/20/41/14/816204114.db2.gz OALMPUGQIAVFSH-CHWSQXEVSA-N 1 0 267.344 2.161 20 10 CECDRO Cc1nc(CC[N@@H+](C)Cc2c(C)ccc(C)c2O)no1 ZINC001140178200 816204285 /nfs/dbraw/zinc/20/42/85/816204285.db2.gz CFIZFFZDMSFWBB-UHFFFAOYSA-N 1 0 275.352 2.375 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)c1O ZINC001140182695 816205435 /nfs/dbraw/zinc/20/54/35/816205435.db2.gz XMDMYNBCECBFFV-MRXNPFEDSA-N 1 0 290.363 2.083 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC001140184227 816205998 /nfs/dbraw/zinc/20/59/98/816205998.db2.gz NWRRXAUPVYRJFC-OKILXGFUSA-N 1 0 260.381 2.287 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCN(CC(F)F)CC2)c1O ZINC001140183804 816206011 /nfs/dbraw/zinc/20/60/11/816206011.db2.gz IXPDGZQEWFQWMT-UHFFFAOYSA-N 1 0 284.350 2.392 20 10 CECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464240 816260351 /nfs/dbraw/zinc/26/03/51/816260351.db2.gz IACDGJVADHJKEJ-NSHDSACASA-N 1 0 283.755 2.431 20 10 CECDRO C[N@H+](Cc1ccncn1)Cc1ccc(Cl)cc1O ZINC001140468262 816262755 /nfs/dbraw/zinc/26/27/55/816262755.db2.gz CTENEKDSFYBREK-UHFFFAOYSA-N 1 0 263.728 2.468 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)c1 ZINC001140623706 816306276 /nfs/dbraw/zinc/30/62/76/816306276.db2.gz QRJMNBCNKFCQAD-HIFRSBDPSA-N 1 0 260.381 2.227 20 10 CECDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140742028 816338040 /nfs/dbraw/zinc/33/80/40/816338040.db2.gz HOKIWGXVUJCIJJ-LBPRGKRZSA-N 1 0 251.326 2.017 20 10 CECDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749423 816342555 /nfs/dbraw/zinc/34/25/55/816342555.db2.gz YYLVWADWRWZGMJ-MFKMUULPSA-N 1 0 293.363 2.037 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c(Cl)c1 ZINC001140922300 816411271 /nfs/dbraw/zinc/41/12/71/816411271.db2.gz NILLNYUDFUUETJ-CQSZACIVSA-N 1 0 268.788 2.363 20 10 CECDRO CC[N@H+](CCCC(=O)OC)Cc1ccc(C)cc1O ZINC001140947985 816422671 /nfs/dbraw/zinc/42/26/71/816422671.db2.gz OJLUEJFJSGWADF-UHFFFAOYSA-N 1 0 265.353 2.476 20 10 CECDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)cc2O)C1 ZINC001140954518 816424058 /nfs/dbraw/zinc/42/40/58/816424058.db2.gz VKQKVVNGFUMNFY-OAHLLOKOSA-N 1 0 276.380 2.143 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]3C[C@H]32)c(OC)c1 ZINC001141031142 816450435 /nfs/dbraw/zinc/45/04/35/816450435.db2.gz YDAJPPCQOAQIAH-GXFFZTMASA-N 1 0 263.337 2.394 20 10 CECDRO C[NH+]1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074710 816469687 /nfs/dbraw/zinc/46/96/87/816469687.db2.gz RRWNUUCEBASVCQ-UHFFFAOYSA-N 1 0 285.435 2.133 20 10 CECDRO COC1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139443 816484511 /nfs/dbraw/zinc/48/45/11/816484511.db2.gz STGRSMYMKAPIOG-UHFFFAOYSA-N 1 0 276.380 2.126 20 10 CECDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141141144 816485175 /nfs/dbraw/zinc/48/51/75/816485175.db2.gz UNOXZSDIKSFOKU-UKRRQHHQSA-N 1 0 290.407 2.108 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCN3C)[C@H]1CO ZINC001141141076 816485689 /nfs/dbraw/zinc/48/56/89/816485689.db2.gz TWYMRPVOEDYWGZ-BBRMVZONSA-N 1 0 290.407 2.108 20 10 CECDRO C[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)C[C@H](C)[N@H+]1C ZINC001141144276 816485845 /nfs/dbraw/zinc/48/58/45/816485845.db2.gz YFUDSAWSKKKSDU-OKILXGFUSA-N 1 0 289.423 2.040 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1nncn1C)c1ccccc1O ZINC000037016936 361884880 /nfs/dbraw/zinc/88/48/80/361884880.db2.gz QNAIQPLCZIJGER-PWSUYJOCSA-N 1 0 260.341 2.323 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCOC2)c1 ZINC000037738141 361925496 /nfs/dbraw/zinc/92/54/96/361925496.db2.gz FYEHUCFLVKLYDN-WDEREUQCSA-N 1 0 251.326 2.088 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000296698301 529781006 /nfs/dbraw/zinc/78/10/06/529781006.db2.gz IBELCDYCLAHTBA-GDBMZVCRSA-N 1 0 289.423 2.276 20 10 CECDRO O=C1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCN1 ZINC000093101613 344214237 /nfs/dbraw/zinc/21/42/37/344214237.db2.gz XIXDUEAMSHOBGC-UHFFFAOYSA-N 1 0 296.370 2.381 20 10 CECDRO COc1cccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1O ZINC000093455543 344223612 /nfs/dbraw/zinc/22/36/12/344223612.db2.gz FHAHNBNRNVYECZ-MRXNPFEDSA-N 1 0 299.370 2.493 20 10 CECDRO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000089636719 363986447 /nfs/dbraw/zinc/98/64/47/363986447.db2.gz OSRWJNDJKVYKHV-QWHCGFSZSA-N 1 0 298.452 2.226 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(n3cncn3)CC2)cc1 ZINC000092647526 364093079 /nfs/dbraw/zinc/09/30/79/364093079.db2.gz QLMVWPISZPFQIT-UHFFFAOYSA-N 1 0 285.395 2.181 20 10 CECDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)N(C)C1CC1 ZINC000105489315 364700364 /nfs/dbraw/zinc/70/03/64/364700364.db2.gz KQTTZKHFUCGFDX-CYBMUJFWSA-N 1 0 261.413 2.325 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCCCNC1=O ZINC000120201452 365389169 /nfs/dbraw/zinc/38/91/69/365389169.db2.gz AZMYBAAWOVZAKN-AWEZNQCLSA-N 1 0 276.380 2.273 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000245939869 370891773 /nfs/dbraw/zinc/89/17/73/370891773.db2.gz UDUFRDGOFBHYJV-HUUCEWRRSA-N 1 0 277.364 2.080 20 10 CECDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000179691924 368348777 /nfs/dbraw/zinc/34/87/77/368348777.db2.gz GUFJJHAILZHUBJ-AWEZNQCLSA-N 1 0 292.379 2.411 20 10 CECDRO C[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccccc1O ZINC000179897713 368357072 /nfs/dbraw/zinc/35/70/72/368357072.db2.gz MDIOSSXPSZRYDN-LLVKDONJSA-N 1 0 272.352 2.171 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cc1C ZINC000187834537 369233968 /nfs/dbraw/zinc/23/39/68/369233968.db2.gz KBHPJRDWIARFGC-SGTLLEGYSA-N 1 0 269.410 2.208 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)N(C)CC)c(O)c1 ZINC000188894612 369424980 /nfs/dbraw/zinc/42/49/80/369424980.db2.gz WIKCEYNBKYJJIF-LBPRGKRZSA-N 1 0 294.395 2.137 20 10 CECDRO C[C@H]([NH2+]CC1(C)OCCCO1)c1ccccc1O ZINC000190668288 369643333 /nfs/dbraw/zinc/64/33/33/369643333.db2.gz DRKWZBAHRUZKIP-NSHDSACASA-N 1 0 251.326 2.196 20 10 CECDRO CCN1CCCN(Cc2cc(Cl)cc(C)c2O)CC1=O ZINC000191537850 369721987 /nfs/dbraw/zinc/72/19/87/369721987.db2.gz XBDGMOUBUKCPBL-UHFFFAOYSA-N 1 0 296.798 2.408 20 10 CECDRO CC(C)[NH+](CCCNC(=O)c1cccc(O)c1O)C(C)C ZINC000193118117 369895618 /nfs/dbraw/zinc/89/56/18/369895618.db2.gz LOMUHKXGBMEMMR-UHFFFAOYSA-N 1 0 294.395 2.337 20 10 CECDRO [NH3+][C@@H]1CC=C(C(=O)N(CC2CC2)c2ccccc2)C1 ZINC000638029515 370253855 /nfs/dbraw/zinc/25/38/55/370253855.db2.gz QGQRMWHHLJKMNE-CQSZACIVSA-N 1 0 256.349 2.477 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000226953513 370354924 /nfs/dbraw/zinc/35/49/24/370354924.db2.gz JNEORTWVXLJAGK-GFCCVEGCSA-N 1 0 286.169 2.015 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCC[C@@H](C)O)c1O ZINC000228091064 370397376 /nfs/dbraw/zinc/39/73/76/370397376.db2.gz JMVFAHZRTRRWIM-SECBINFHSA-N 1 0 273.760 2.305 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000268709160 372188285 /nfs/dbraw/zinc/18/82/85/372188285.db2.gz FUEDKQBBZUJGPD-WFASDCNBSA-N 1 0 277.412 2.318 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](CCO)COC)cc1 ZINC000268995709 372308760 /nfs/dbraw/zinc/30/87/60/372308760.db2.gz IHPWXTVHGRSLDK-DZGCQCFKSA-N 1 0 280.412 2.191 20 10 CECDRO COc1ccc(O)c([C@H](C)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000364638709 372780002 /nfs/dbraw/zinc/78/00/02/372780002.db2.gz SAHJMJZJFVWDOS-ZENOOKHLSA-N 1 0 290.407 2.488 20 10 CECDRO CCOc1cccc(C[NH+]2CC([C@H]3CCOC3)C2)c1O ZINC000365559358 372892468 /nfs/dbraw/zinc/89/24/68/372892468.db2.gz HZZPZXVOAAATSP-ZDUSSCGKSA-N 1 0 277.364 2.259 20 10 CECDRO CCOc1cccc(C[NH+]2CC([C@@H]3CCOC3)C2)c1O ZINC000365559357 372892563 /nfs/dbraw/zinc/89/25/63/372892563.db2.gz HZZPZXVOAAATSP-CYBMUJFWSA-N 1 0 277.364 2.259 20 10 CECDRO CC(C)[C@H](O)C[NH2+]Cc1cc(Br)ccc1O ZINC000164088139 261339822 /nfs/dbraw/zinc/33/98/22/261339822.db2.gz CKDUBXUWSBNVFR-GFCCVEGCSA-N 1 0 288.185 2.261 20 10 CECDRO CCOc1ccc(O)c(CN(C)Cc2ccon2)c1 ZINC000271208867 373182090 /nfs/dbraw/zinc/18/20/90/373182090.db2.gz SVAFJBHRDUPJII-UHFFFAOYSA-N 1 0 262.309 2.411 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2nc(C)no2)c1 ZINC000271854018 373204100 /nfs/dbraw/zinc/20/41/00/373204100.db2.gz RYVTVDMWHDDTNG-JTQLQIEISA-N 1 0 291.351 2.376 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CC2(C)C)cc1OC ZINC000272082939 373296851 /nfs/dbraw/zinc/29/68/51/373296851.db2.gz LSVDJUOHERAICG-CYBMUJFWSA-N 1 0 251.326 2.298 20 10 CECDRO CCC[C@](C)([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000272463739 373497804 /nfs/dbraw/zinc/49/78/04/373497804.db2.gz OXHJJRUFILMHRH-KRWDZBQOSA-N 1 0 290.407 2.405 20 10 CECDRO Cc1cnn(C)c1C[NH2+]Cc1ccc2c(c1)CCN2C ZINC000370579645 373687811 /nfs/dbraw/zinc/68/78/11/373687811.db2.gz MDVJVVQXYKPDNP-UHFFFAOYSA-N 1 0 270.380 2.011 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)c1 ZINC000273484350 373759315 /nfs/dbraw/zinc/75/93/15/373759315.db2.gz MXTAEFJRLUWPNH-WBMJQRKESA-N 1 0 279.380 2.139 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c(O)c1C ZINC000273477856 373760707 /nfs/dbraw/zinc/76/07/07/373760707.db2.gz LHJGMRGMVQXSCB-LLVKDONJSA-N 1 0 264.369 2.171 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000273554509 373765517 /nfs/dbraw/zinc/76/55/17/373765517.db2.gz GQSONMICQHKBRR-GVXVVHGQSA-N 1 0 293.363 2.254 20 10 CECDRO COC[C@H](CCO)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273591845 373767273 /nfs/dbraw/zinc/76/72/73/373767273.db2.gz PHWHMQNXXGPYBX-WFASDCNBSA-N 1 0 293.407 2.319 20 10 CECDRO c1csc(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000371556599 373922111 /nfs/dbraw/zinc/92/21/11/373922111.db2.gz ZOWIEPNDNPDUEC-AOOOYVTPSA-N 1 0 256.396 2.098 20 10 CECDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000277981235 374699122 /nfs/dbraw/zinc/69/91/22/374699122.db2.gz TYYDGQJTNROULE-PBHICJAKSA-N 1 0 290.407 2.038 20 10 CECDRO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccccc1O ZINC000281125102 375356497 /nfs/dbraw/zinc/35/64/97/375356497.db2.gz SOPYOABRXSYZAR-ZMZPIMSZSA-N 1 0 267.394 2.344 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C(=O)NCCF)cc1 ZINC000282639897 375536344 /nfs/dbraw/zinc/53/63/44/375536344.db2.gz KHMFTCNLIDWCIZ-ZDUSSCGKSA-N 1 0 295.402 2.097 20 10 CECDRO CCCC[N@H+](CCC(=O)N(C)C)Cc1ccccc1O ZINC000282547330 375514494 /nfs/dbraw/zinc/51/44/94/375514494.db2.gz WRHBQOSBPBOSTO-UHFFFAOYSA-N 1 0 278.396 2.473 20 10 CECDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000283068941 375648227 /nfs/dbraw/zinc/64/82/27/375648227.db2.gz JXUCXVCVBKRJCT-OLZOCXBDSA-N 1 0 278.396 2.430 20 10 CECDRO CCC(CC)(CCO)[NH2+]Cc1cccc(OC)c1O ZINC000283082624 375650733 /nfs/dbraw/zinc/65/07/33/375650733.db2.gz VTGNEOTXWBNAQJ-UHFFFAOYSA-N 1 0 267.369 2.432 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c(O)c1 ZINC000284142252 375817089 /nfs/dbraw/zinc/81/70/89/375817089.db2.gz OUXQRIKYEVZOCE-CHWSQXEVSA-N 1 0 276.380 2.280 20 10 CECDRO COc1cccc(C[NH2+][C@@H](c2nncn2C)C(C)C)c1O ZINC000285606151 375842440 /nfs/dbraw/zinc/84/24/40/375842440.db2.gz VNTSHHRRVSLTOF-CYBMUJFWSA-N 1 0 290.367 2.016 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H](CC)OC)c1O ZINC000289885354 376545724 /nfs/dbraw/zinc/54/57/24/376545724.db2.gz SETJISXAFHOWGL-GFCCVEGCSA-N 1 0 253.342 2.306 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](CO)C2)c1O ZINC000295112453 378041428 /nfs/dbraw/zinc/04/14/28/378041428.db2.gz VGSOGLDBISVCGD-SKDRFNHKSA-N 1 0 285.771 2.305 20 10 CECDRO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000295210062 378052867 /nfs/dbraw/zinc/05/28/67/378052867.db2.gz ZZFSUIKCCKPVAF-JTQLQIEISA-N 1 0 298.770 2.318 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(Cl)cc1O ZINC000527956354 379856553 /nfs/dbraw/zinc/85/65/53/379856553.db2.gz VODYDTGBXCWSBH-HERUPUMHSA-N 1 0 285.771 2.236 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000093612118 394668488 /nfs/dbraw/zinc/66/84/88/394668488.db2.gz LYLKOBVKXLAHRB-LBPRGKRZSA-N 1 0 275.270 2.200 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c1 ZINC000093813971 394668592 /nfs/dbraw/zinc/66/85/92/394668592.db2.gz JWGYHKALADFLAM-MRXNPFEDSA-N 1 0 293.363 2.176 20 10 CECDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000120712725 394782895 /nfs/dbraw/zinc/78/28/95/394782895.db2.gz RAEMXINPJMEBBT-SWLSCSKDSA-N 1 0 260.381 2.336 20 10 CECDRO O=C(N[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1)C1CCC1 ZINC000360670543 394805230 /nfs/dbraw/zinc/80/52/30/394805230.db2.gz IIZWPQNZCNPCEW-AWEZNQCLSA-N 1 0 292.354 2.022 20 10 CECDRO CC[N@H+](CCCO)Cc1ccc(N(C)C)c(F)c1 ZINC000271190654 394750069 /nfs/dbraw/zinc/75/00/69/394750069.db2.gz LNUHNYNONOYYFI-UHFFFAOYSA-N 1 0 254.349 2.096 20 10 CECDRO CC(C)CCNC(=[NH2+])NCc1ccc2c(c1)CCN2C ZINC000364411525 394899505 /nfs/dbraw/zinc/89/95/05/394899505.db2.gz AVQTZANQBBNIFH-UHFFFAOYSA-N 1 0 274.412 2.339 20 10 CECDRO CCCC[N@H+](CCn1cncn1)Cc1ccccc1O ZINC000282573348 394921159 /nfs/dbraw/zinc/92/11/59/394921159.db2.gz ZWBOFYZWNAEYQX-UHFFFAOYSA-N 1 0 274.368 2.286 20 10 CECDRO CCCOc1ccc(C[NH2+]CC(C)(C)OCCO)c(O)c1 ZINC000288492841 395061290 /nfs/dbraw/zinc/06/12/90/395061290.db2.gz RAXLFEJZNXUFFD-UHFFFAOYSA-N 1 0 297.395 2.058 20 10 CECDRO CN(C)c1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1 ZINC000376020727 395106961 /nfs/dbraw/zinc/10/69/61/395106961.db2.gz HMUYWBIECODUMY-CQSZACIVSA-N 1 0 260.381 2.221 20 10 CECDRO CCOCc1cc(C[NH2+]C2(CO)CCC2)ccc1OC ZINC000178637277 395171094 /nfs/dbraw/zinc/17/10/94/395171094.db2.gz CISJDVRYTOMQSF-UHFFFAOYSA-N 1 0 279.380 2.236 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H]2COC)c1O ZINC000293542045 395239497 /nfs/dbraw/zinc/23/94/97/395239497.db2.gz CYYSYFSPFBYEJM-LBPRGKRZSA-N 1 0 251.326 2.012 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@@](C)(O)C2)ccc1N(C)C ZINC000293704760 395248224 /nfs/dbraw/zinc/24/82/24/395248224.db2.gz DDDAYHVHNSVJME-MRXNPFEDSA-N 1 0 262.397 2.408 20 10 CECDRO COC(=O)C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000183486557 395258137 /nfs/dbraw/zinc/25/81/37/395258137.db2.gz NWRPOWDDMPRRPL-UHFFFAOYSA-N 1 0 263.337 2.086 20 10 CECDRO C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1O ZINC000183613937 395261285 /nfs/dbraw/zinc/26/12/85/395261285.db2.gz HFQRZEQSBQQIEK-RYUDHWBXSA-N 1 0 276.380 2.442 20 10 CECDRO CN1CCCc2cc(C[NH2+][C@@H]3CCCOC3)ccc21 ZINC000075209099 260165001 /nfs/dbraw/zinc/16/50/01/260165001.db2.gz MZBKEVUZEGPSGT-OAHLLOKOSA-N 1 0 260.381 2.338 20 10 CECDRO CC[C@@H]([NH2+]CCN(C)CCOC)c1ccc(N(C)C)cc1 ZINC000159366286 261185294 /nfs/dbraw/zinc/18/52/94/261185294.db2.gz CUEBYEKQPJJLFV-QGZVFWFLSA-N 1 0 293.455 2.372 20 10 CECDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180170853 261844833 /nfs/dbraw/zinc/84/48/33/261844833.db2.gz MZHHCRRAQOXSQF-GWCFXTLKSA-N 1 0 253.317 2.267 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1C ZINC000184292005 262015732 /nfs/dbraw/zinc/01/57/32/262015732.db2.gz GWJBZHJRLQRGHX-INIZCTEOSA-N 1 0 277.364 2.000 20 10 CECDRO CC(=O)NCCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000184921605 262034298 /nfs/dbraw/zinc/03/42/98/262034298.db2.gz XKYQVAHNFQGQME-SECBINFHSA-N 1 0 270.760 2.222 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000185787757 262070460 /nfs/dbraw/zinc/07/04/60/262070460.db2.gz OUNCJKXXZXSYOU-CHWSQXEVSA-N 1 0 276.380 2.362 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000185788591 262070780 /nfs/dbraw/zinc/07/07/80/262070780.db2.gz UHGFOBPWLBJWAZ-CHWSQXEVSA-N 1 0 276.380 2.362 20 10 CECDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000186354044 262090114 /nfs/dbraw/zinc/09/01/14/262090114.db2.gz KBMVIXZCCCVLQO-LLVKDONJSA-N 1 0 294.395 2.214 20 10 CECDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccccc2O)C1(C)C ZINC000186597739 262101327 /nfs/dbraw/zinc/10/13/27/262101327.db2.gz JFUAXCZFDKHORA-GOEBONIOSA-N 1 0 279.380 2.048 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1O ZINC000368133454 267146353 /nfs/dbraw/zinc/14/63/53/267146353.db2.gz URJYARALXSUHDQ-PBHICJAKSA-N 1 0 285.343 2.285 20 10 CECDRO OC[C@H]1[C@@H]2C[N@H+](Cc3c(O)ccc4ccccc43)C[C@H]12 ZINC000368352692 267164770 /nfs/dbraw/zinc/16/47/70/267164770.db2.gz VQLFKYLKRILWJC-FOLVSLTJSA-N 1 0 269.344 2.216 20 10 CECDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000292952089 277250775 /nfs/dbraw/zinc/25/07/75/277250775.db2.gz CCGIWVOZOULGKG-MRXNPFEDSA-N 1 0 289.423 2.162 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCOC1 ZINC000266189858 278357343 /nfs/dbraw/zinc/35/73/43/278357343.db2.gz YDSFSJJJVOPHJC-YPMHNXCESA-N 1 0 266.360 2.406 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN(C)C(=O)C1 ZINC000377713999 280219086 /nfs/dbraw/zinc/21/90/86/280219086.db2.gz CWXMMYOCWXHIBK-ZDUSSCGKSA-N 1 0 262.353 2.007 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CCO)c1 ZINC000097440109 295168552 /nfs/dbraw/zinc/16/85/52/295168552.db2.gz NXGAXIUNOODUCV-MNOVXSKESA-N 1 0 253.342 2.070 20 10 CECDRO CC1(C2CC[NH+](Cc3ccccc3O)CC2)OCCO1 ZINC000272282843 328199545 /nfs/dbraw/zinc/19/95/45/328199545.db2.gz MYHYYTQAIYHXPL-UHFFFAOYSA-N 1 0 277.364 2.367 20 10 CECDRO CCC(O)(CC)CC[NH2+]Cc1cc(OC)ccc1O ZINC000276476221 328218743 /nfs/dbraw/zinc/21/87/43/328218743.db2.gz ZMTKSTOYOMPQBW-UHFFFAOYSA-N 1 0 267.369 2.432 20 10 CECDRO COc1cccc(C[NH2+][C@@H](CO)C2CCCC2)c1O ZINC000289514145 327408690 /nfs/dbraw/zinc/40/86/90/327408690.db2.gz IGROEFQNQZZVPN-ZDUSSCGKSA-N 1 0 265.353 2.042 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000378459980 329051619 /nfs/dbraw/zinc/05/16/19/329051619.db2.gz UZWFNWGBVYKCEK-HOCLYGCPSA-N 1 0 277.364 2.128 20 10 CECDRO COc1ccc(O)c(C[N@H+]2CCC[C@@H](OC)CC2)c1 ZINC000378629534 329057313 /nfs/dbraw/zinc/05/73/13/329057313.db2.gz DTORVONDRJNJRP-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)Cn2ccnc2)c1O ZINC000228671123 329059111 /nfs/dbraw/zinc/05/91/11/329059111.db2.gz DSTBXGCVRJVSCV-SNVBAGLBSA-N 1 0 295.770 2.429 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000179397106 329205294 /nfs/dbraw/zinc/20/52/94/329205294.db2.gz DUEHJDLVQJNNFC-HNNXBMFYSA-N 1 0 290.407 2.134 20 10 CECDRO CCCN(Cc1cncn1C)c1ccc(C[NH3+])cc1 ZINC000194979615 331101747 /nfs/dbraw/zinc/10/17/47/331101747.db2.gz ACKNVCWMPYYDTJ-UHFFFAOYSA-N 1 0 258.369 2.295 20 10 CECDRO C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3[O-])CC[C@H]21 ZINC000228005046 333292262 /nfs/dbraw/zinc/29/22/62/333292262.db2.gz FGUROKCVMWRJSY-IUODEOHRSA-N 1 0 278.371 2.447 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1 ZINC000529667924 333504736 /nfs/dbraw/zinc/50/47/36/333504736.db2.gz BNZVELHFXPTMAE-VEABSNGSSA-N 1 0 265.353 2.302 20 10 CECDRO COc1ccc(O)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000133950413 334074936 /nfs/dbraw/zinc/07/49/36/334074936.db2.gz UQZRGRJFLJWQKQ-AWEZNQCLSA-N 1 0 276.380 2.071 20 10 CECDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccccc1O ZINC000134230617 334085162 /nfs/dbraw/zinc/08/51/62/334085162.db2.gz PCZCMSNAILIZFJ-CYBMUJFWSA-N 1 0 270.332 2.248 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCCCN3C[C@H]2C)c1 ZINC000251806446 334370021 /nfs/dbraw/zinc/37/00/21/334370021.db2.gz OFIFKXZWESHERD-HIFRSBDPSA-N 1 0 290.407 2.459 20 10 CECDRO CC[C@@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)OC ZINC000290036187 522551510 /nfs/dbraw/zinc/55/15/10/522551510.db2.gz DFJISMDBSDWOHG-MNOVXSKESA-N 1 0 253.342 2.476 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H](C)CCCO)CC2)cc1 ZINC000168272059 533999854 /nfs/dbraw/zinc/99/98/54/533999854.db2.gz YWIDMQKSZCQAMB-CQSZACIVSA-N 1 0 292.423 2.415 20 10 CECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000292803992 520609535 /nfs/dbraw/zinc/60/95/35/520609535.db2.gz VVEFWUNOAPUNQK-CYBMUJFWSA-N 1 0 290.407 2.264 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H](C)O)cc1F ZINC000130710915 520891354 /nfs/dbraw/zinc/89/13/54/520891354.db2.gz HXXMAWMANFQUKX-LBPRGKRZSA-N 1 0 268.376 2.485 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](CC)C2)c1 ZINC000125600474 521146279 /nfs/dbraw/zinc/14/62/79/521146279.db2.gz TXQSIDRLYTUDMF-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000279767314 521156017 /nfs/dbraw/zinc/15/60/17/521156017.db2.gz JWPLWPHRRHWBKR-CQSZACIVSA-N 1 0 279.380 2.432 20 10 CECDRO C[NH2+]CCNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000237106914 522009842 /nfs/dbraw/zinc/00/98/42/522009842.db2.gz FTXRYPXCODPLCM-UHFFFAOYSA-N 1 0 271.364 2.043 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1 ZINC000280129906 522175500 /nfs/dbraw/zinc/17/55/00/522175500.db2.gz QKOYIIJOPFMQLZ-MRXNPFEDSA-N 1 0 262.397 2.490 20 10 CECDRO C[NH2+][C@@H](C)CNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000261872097 522323362 /nfs/dbraw/zinc/32/33/62/522323362.db2.gz ZUCJLHKEPHNXQQ-LBPRGKRZSA-N 1 0 285.391 2.432 20 10 CECDRO CC[C@@H](C[NH2+][C@@H](C)c1cc(OC)ccc1O)OC ZINC000290036189 522550488 /nfs/dbraw/zinc/55/04/88/522550488.db2.gz DFJISMDBSDWOHG-QWRGUYRKSA-N 1 0 253.342 2.476 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccccc1O ZINC000036976945 522712882 /nfs/dbraw/zinc/71/28/82/522712882.db2.gz RSUDVEGYJVJYAW-QWHCGFSZSA-N 1 0 262.353 2.102 20 10 CECDRO CC[C@H]([NH2+][C@H]1COC[C@@H]1OC)c1ccc(C)cc1O ZINC000290117169 522758333 /nfs/dbraw/zinc/75/83/33/522758333.db2.gz JACBOJSUWBZUGS-YDHLFZDLSA-N 1 0 265.353 2.155 20 10 CECDRO CC[C@@H]([NH2+]CCCOCCO)c1ccc(C)cc1O ZINC000280095476 522828623 /nfs/dbraw/zinc/82/86/23/522828623.db2.gz MSKZNLOHLRRPMB-CQSZACIVSA-N 1 0 267.369 2.140 20 10 CECDRO CC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000292773288 523173216 /nfs/dbraw/zinc/17/32/16/523173216.db2.gz KQXBKSGKYSWMNS-JTQLQIEISA-N 1 0 266.297 2.293 20 10 CECDRO COCCCN1CCC[N@H+](Cc2cccc(C)c2O)CC1 ZINC000367739720 523300443 /nfs/dbraw/zinc/30/04/43/523300443.db2.gz HSZPYPWCGBRPSV-UHFFFAOYSA-N 1 0 292.423 2.245 20 10 CECDRO CCn1cc(CC[N@H+](C)Cc2ccccc2O)cn1 ZINC000276363451 523363982 /nfs/dbraw/zinc/36/39/82/523363982.db2.gz ZFEHJRZIUKYQAP-UHFFFAOYSA-N 1 0 259.353 2.283 20 10 CECDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3cc(F)ccc3O)C2)C1 ZINC000293518950 523836049 /nfs/dbraw/zinc/83/60/49/523836049.db2.gz AXINUHWDWIRQOJ-MRXNPFEDSA-N 1 0 278.371 2.449 20 10 CECDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)c(C)n1-c1ccccc1 ZINC000125918337 524152122 /nfs/dbraw/zinc/15/21/22/524152122.db2.gz LUNQQYWRCHGSCZ-AWEZNQCLSA-N 1 0 283.375 2.186 20 10 CECDRO C[C@H](CN1CCCCC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880076 524333946 /nfs/dbraw/zinc/33/39/46/524333946.db2.gz YGRGRTSPTQABIE-GFCCVEGCSA-N 1 0 292.379 2.085 20 10 CECDRO C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000263678957 524498939 /nfs/dbraw/zinc/49/89/39/524498939.db2.gz HUVSDNYHEUCGRZ-CQSZACIVSA-N 1 0 289.423 2.053 20 10 CECDRO COc1ccc(O)c(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000280468454 524744131 /nfs/dbraw/zinc/74/41/31/524744131.db2.gz CINXODORQOFUPV-ZBEGNZNMSA-N 1 0 277.364 2.400 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2ccc(O)cc2)c1 ZINC000040735725 524751164 /nfs/dbraw/zinc/75/11/64/524751164.db2.gz IQZXABUABUTNLR-UHFFFAOYSA-N 1 0 273.332 2.439 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC[C@H](C)O)c1 ZINC000228044699 524762341 /nfs/dbraw/zinc/76/23/41/524762341.db2.gz WMACOPKNVDSJBC-WDEREUQCSA-N 1 0 253.342 2.212 20 10 CECDRO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000275321148 524866747 /nfs/dbraw/zinc/86/67/47/524866747.db2.gz SIQHJYGTSMJPQV-JEOXALJRSA-N 1 0 286.416 2.091 20 10 CECDRO C[C@H]1OCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000127310651 525050462 /nfs/dbraw/zinc/05/04/62/525050462.db2.gz QAMOOMGIVXKVOX-LDYMZIIASA-N 1 0 286.169 2.422 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1C ZINC000276857014 525317948 /nfs/dbraw/zinc/31/79/48/525317948.db2.gz JVRUHWVIAIQQKP-OAHLLOKOSA-N 1 0 288.391 2.206 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCN(CC(F)F)CC2)c1 ZINC000290486924 525343665 /nfs/dbraw/zinc/34/36/65/525343665.db2.gz OKGRNODVFQXNRI-UHFFFAOYSA-N 1 0 284.350 2.473 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(N(C)C)cc2)n1 ZINC000103341113 525351302 /nfs/dbraw/zinc/35/13/02/525351302.db2.gz NZNAHIDIHCMGRR-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO C[C@H](C(=O)NCCc1ccc(N)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000262583177 526056473 /nfs/dbraw/zinc/05/64/73/526056473.db2.gz RJMFASYWBCUFBX-SUMWQHHRSA-N 1 0 297.402 2.264 20 10 CECDRO c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000020091634 526472446 /nfs/dbraw/zinc/47/24/46/526472446.db2.gz DZRVSZSVPRZREE-UHFFFAOYSA-N 1 0 283.375 2.208 20 10 CECDRO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2O)n1 ZINC000289910494 526654559 /nfs/dbraw/zinc/65/45/59/526654559.db2.gz UYLLBROHECOVOU-LBPRGKRZSA-N 1 0 259.309 2.421 20 10 CECDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1O ZINC000037087264 527580917 /nfs/dbraw/zinc/58/09/17/527580917.db2.gz WASPSMPNILFIPT-CYBMUJFWSA-N 1 0 257.337 2.293 20 10 CECDRO CCCC[N@H+](C)CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000875275407 649897072 /nfs/dbraw/zinc/89/70/72/649897072.db2.gz QDJXBIQYSHCYTD-UHFFFAOYSA-N 1 0 291.395 2.149 20 10 CECDRO C[C@@H](CNC(=O)C1=CC(=O)CS1)[N@@H+]1CCC[C@H](C)C1 ZINC000731869557 574604481 /nfs/dbraw/zinc/60/44/81/574604481.db2.gz LMTLJUPCRFSHMZ-QWRGUYRKSA-N 1 0 282.409 2.304 20 10 CECDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C1=CC(=O)CS1 ZINC000732289523 574618330 /nfs/dbraw/zinc/61/83/30/574618330.db2.gz HXPQTVPIMIRIQX-QWRGUYRKSA-N 1 0 282.409 2.446 20 10 CECDRO CCC[C@@](C)(O)C[NH2+]Cc1c(O)cccc1OC ZINC000732821219 574632378 /nfs/dbraw/zinc/63/23/78/574632378.db2.gz YCNVXPOWOMAIEL-CQSZACIVSA-N 1 0 253.342 2.042 20 10 CECDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1c(O)cccc1OC ZINC000732820584 574632533 /nfs/dbraw/zinc/63/25/33/574632533.db2.gz LVPQROYIDYPNMT-ABAIWWIYSA-N 1 0 267.369 2.288 20 10 CECDRO COC[C@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613500 574682920 /nfs/dbraw/zinc/68/29/20/574682920.db2.gz YZQZTTFXDXPHIA-OAHLLOKOSA-N 1 0 279.380 2.144 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000734005140 574697076 /nfs/dbraw/zinc/69/70/76/574697076.db2.gz XMQTUSKADZAKMP-KRWDZBQOSA-N 1 0 287.359 2.398 20 10 CECDRO COC(=O)CCC(C)(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000733997218 574696728 /nfs/dbraw/zinc/69/67/28/574696728.db2.gz ULESJURFUPWWDO-UHFFFAOYSA-N 1 0 277.364 2.443 20 10 CECDRO C[C@H](C(=O)NCc1ccccc1O)[NH+]1CCCCCC1 ZINC000735857101 574769358 /nfs/dbraw/zinc/76/93/58/574769358.db2.gz MVUMUNXJHWREQS-CYBMUJFWSA-N 1 0 276.380 2.273 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000738440223 574863250 /nfs/dbraw/zinc/86/32/50/574863250.db2.gz POOIDBFKLPUILF-UHFFFAOYSA-N 1 0 299.370 2.020 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2COCCO2)cc1F ZINC000740004728 574938691 /nfs/dbraw/zinc/93/86/91/574938691.db2.gz UIJXSGRZEULUOW-CQSZACIVSA-N 1 0 296.386 2.177 20 10 CECDRO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000741447813 574986877 /nfs/dbraw/zinc/98/68/77/574986877.db2.gz PXDZVCIWVBTZPY-CYBMUJFWSA-N 1 0 291.439 2.488 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)C)cc1 ZINC000741678368 574993853 /nfs/dbraw/zinc/99/38/53/574993853.db2.gz PIWLYAVFZMPANK-AWEZNQCLSA-N 1 0 291.439 2.441 20 10 CECDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000743758415 575109312 /nfs/dbraw/zinc/10/93/12/575109312.db2.gz DHHDURDLUHPSIA-NSHDSACASA-N 1 0 282.409 2.258 20 10 CECDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000743783014 575109444 /nfs/dbraw/zinc/10/94/44/575109444.db2.gz MNAZSJLNSICIKC-NSHDSACASA-N 1 0 282.409 2.258 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](OC)C2)c(O)c1 ZINC000746756646 575163966 /nfs/dbraw/zinc/16/39/66/575163966.db2.gz VPULBTSBUXGATC-CHWSQXEVSA-N 1 0 265.353 2.448 20 10 CECDRO COCC[NH+](CCOC)Cc1c(O)ccc2ccncc21 ZINC000747451899 575170504 /nfs/dbraw/zinc/17/05/04/575170504.db2.gz WCICFUMPPMJUHR-UHFFFAOYSA-N 1 0 290.363 2.035 20 10 CECDRO CC[C@H](C[NH+]1CCCC1)NC(=O)C1=CC(=O)CS1 ZINC000751392380 575287960 /nfs/dbraw/zinc/28/79/60/575287960.db2.gz XFWWQVSRIWFFSF-SNVBAGLBSA-N 1 0 268.382 2.058 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000823731717 599457752 /nfs/dbraw/zinc/45/77/52/599457752.db2.gz DNZRULBILIALIS-UHFFFAOYSA-N 1 0 299.309 2.001 20 10 CECDRO COC[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCO1 ZINC000179444973 625444442 /nfs/dbraw/zinc/44/44/42/625444442.db2.gz HHNLQXXCGOIRFA-MRXNPFEDSA-N 1 0 291.391 2.118 20 10 CECDRO CC[C@H](C(=O)NCc1cccc(Cl)c1O)[NH+](C)C ZINC000890759421 622931697 /nfs/dbraw/zinc/93/16/97/622931697.db2.gz AZDMTUZBIPGPDD-LLVKDONJSA-N 1 0 270.760 2.002 20 10 CECDRO C[NH2+]CC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000843349154 622942155 /nfs/dbraw/zinc/94/21/55/622942155.db2.gz IZRBAVVRGRJRAU-UHFFFAOYSA-N 1 0 294.370 2.165 20 10 CECDRO C/C=C(/C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891253186 623328615 /nfs/dbraw/zinc/32/86/15/623328615.db2.gz RKASMKXZTJJYEQ-DJXGBFBFSA-N 1 0 289.423 2.438 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089744435 623468488 /nfs/dbraw/zinc/46/84/88/623468488.db2.gz OLLRKTNEXLLQGM-HNNXBMFYSA-N 1 0 289.423 2.101 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000177221162 625654183 /nfs/dbraw/zinc/65/41/83/625654183.db2.gz FPPHLAKFQQKBCQ-QGZVFWFLSA-N 1 0 289.375 2.266 20 10 CECDRO C[C@@H](NC(=O)NCC1(C)CC[NH2+]CC1)c1ccccc1O ZINC000892054233 624282837 /nfs/dbraw/zinc/28/28/37/624282837.db2.gz SPTIMOGNBUNSTD-GFCCVEGCSA-N 1 0 291.395 2.142 20 10 CECDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c(O)c1OC ZINC000892067882 624293238 /nfs/dbraw/zinc/29/32/38/624293238.db2.gz BRILBVAOYQUEFH-PHIMTYICSA-N 1 0 265.353 2.497 20 10 CECDRO CO[C@](C)(CO)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000848556493 624365038 /nfs/dbraw/zinc/36/50/38/624365038.db2.gz ZEVRCLXPTRHTNE-WFASDCNBSA-N 1 0 267.369 2.057 20 10 CECDRO CCOc1ccc(C[NH2+]CC(O)(CC)CC)c(O)c1 ZINC000725850336 625945092 /nfs/dbraw/zinc/94/50/92/625945092.db2.gz ZKLZKAQQXGRKFO-UHFFFAOYSA-N 1 0 267.369 2.432 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccc(C)nc2)c(O)c1OC ZINC000892605433 627303983 /nfs/dbraw/zinc/30/39/83/627303983.db2.gz RVAXWGJGMNRDMF-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO Oc1ccccc1C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892790533 627774682 /nfs/dbraw/zinc/77/46/82/627774682.db2.gz DSTNVBURLKUAAC-OLZOCXBDSA-N 1 0 281.327 2.116 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CO)CC2)c1O ZINC000293868067 627860110 /nfs/dbraw/zinc/86/01/10/627860110.db2.gz CJMJTZHRUUPYCS-CYBMUJFWSA-N 1 0 279.380 2.385 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCON)cc1 ZINC000902417164 634642513 /nfs/dbraw/zinc/64/25/13/634642513.db2.gz GNSOHOYUKFGPGG-GFCCVEGCSA-N 1 0 251.374 2.074 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cnccc2C)c1 ZINC000162662075 628462454 /nfs/dbraw/zinc/46/24/54/628462454.db2.gz AQIXXROIKUGKOJ-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COCC2(C)C)c1 ZINC000313060179 628578054 /nfs/dbraw/zinc/57/80/54/628578054.db2.gz MPTPGPNEHSVKHM-HZMBPMFUSA-N 1 0 265.353 2.476 20 10 CECDRO C[C@H]([NH2+]CCc1cn(C)cn1)c1ccc(N(C)C)cc1 ZINC000313247112 628585092 /nfs/dbraw/zinc/58/50/92/628585092.db2.gz BHLLAZQUBBJAAR-ZDUSSCGKSA-N 1 0 272.396 2.379 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCOC[C@@H]1CCOC1 ZINC000840933141 628750189 /nfs/dbraw/zinc/75/01/89/628750189.db2.gz XWCOTAPNFTYQRM-OAHLLOKOSA-N 1 0 292.423 2.204 20 10 CECDRO C[NH+]1CCN(c2ccc(CNC(=O)C=C3CCC3)cc2)CC1 ZINC000893608228 628787661 /nfs/dbraw/zinc/78/76/61/628787661.db2.gz SXHKDZWOVPUSBD-UHFFFAOYSA-N 1 0 299.418 2.165 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1([S@](C)=O)CCC1 ZINC000840942594 628797980 /nfs/dbraw/zinc/79/79/80/628797980.db2.gz JFTOGJQFFCPUIE-FQEVSTJZSA-N 1 0 294.464 2.452 20 10 CECDRO Oc1ccc(Cl)cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219798892 628817154 /nfs/dbraw/zinc/81/71/54/628817154.db2.gz PRKRPGQKKLJBNS-GXFFZTMASA-N 1 0 266.772 2.229 20 10 CECDRO COCCOCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094616980 628929388 /nfs/dbraw/zinc/92/93/88/628929388.db2.gz HRSTZAINQGUQRK-LLVKDONJSA-N 1 0 271.332 2.235 20 10 CECDRO CCCC[N@H+](CCO)Cc1cc(C)cc(OC)c1O ZINC000893878061 629027125 /nfs/dbraw/zinc/02/71/25/629027125.db2.gz QFMGNFPYCGSVPO-UHFFFAOYSA-N 1 0 267.369 2.304 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCSC2)c(O)c1OC ZINC000894120681 629141132 /nfs/dbraw/zinc/14/11/32/629141132.db2.gz RSDHIPDMHHKPRP-JTQLQIEISA-N 1 0 283.393 2.252 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@@](C)(OC)C2)c(O)c1OC ZINC000894141595 629164907 /nfs/dbraw/zinc/16/49/07/629164907.db2.gz XYADGKIOMBUTHU-MRXNPFEDSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cc(C[NH2+]Cc2cc(C)cc(OC)c2O)ccn1 ZINC000894236638 629244495 /nfs/dbraw/zinc/24/44/95/629244495.db2.gz UYZLYJPGCRAAJS-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO COc1ccc(C[NH+]2CCC3(CCO3)CC2)c(O)c1OC ZINC000894262406 629275756 /nfs/dbraw/zinc/27/57/56/629275756.db2.gz KHNUMDZYNXVALD-UHFFFAOYSA-N 1 0 293.363 2.164 20 10 CECDRO CC[C@H]([NH2+]CCCn1cncn1)c1ccc(C)cc1O ZINC000794816147 629328488 /nfs/dbraw/zinc/32/84/88/629328488.db2.gz XCBKVYYPQKKCLE-AWEZNQCLSA-N 1 0 274.368 2.423 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c1O ZINC000894344340 629373766 /nfs/dbraw/zinc/37/37/66/629373766.db2.gz QJDGXGFBYXPVBP-SWLSCSKDSA-N 1 0 290.407 2.282 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CSC[C@@H]2C)c(O)c1OC ZINC000894411921 629444333 /nfs/dbraw/zinc/44/43/33/629444333.db2.gz BTTSEUYOFIBFJL-GXSJLCMTSA-N 1 0 283.393 2.251 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)CC2(O)CCC2)c1O ZINC000894462202 629476647 /nfs/dbraw/zinc/47/66/47/629476647.db2.gz XGWVEERZXFINEE-UHFFFAOYSA-N 1 0 265.353 2.056 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)c1O ZINC000894487276 629488282 /nfs/dbraw/zinc/48/82/82/629488282.db2.gz HTUSTQLWBBVADF-CHWSQXEVSA-N 1 0 278.396 2.234 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)CCCCO)c(O)c1OC ZINC000894691446 629589789 /nfs/dbraw/zinc/58/97/89/629589789.db2.gz ZWQGKHOTFYSGOP-LLVKDONJSA-N 1 0 283.368 2.050 20 10 CECDRO COc1ccc(C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)c(O)c1OC ZINC000894716739 629608130 /nfs/dbraw/zinc/60/81/30/629608130.db2.gz BDUWRMMCUWBIIL-WCQYABFASA-N 1 0 295.379 2.266 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)[C@H](OC)C2CC2)c(O)c1OC ZINC000894755449 629622344 /nfs/dbraw/zinc/62/23/44/629622344.db2.gz QVDUTJUORPTRKY-BONVTDFDSA-N 1 0 295.379 2.313 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC[C@H](C)CCO)c1O ZINC000894870540 629708198 /nfs/dbraw/zinc/70/81/98/629708198.db2.gz MMSVQQSCLCQFSQ-NSHDSACASA-N 1 0 267.369 2.207 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)C2(OC)CCC2)c(O)c1OC ZINC000894924085 629757459 /nfs/dbraw/zinc/75/74/59/629757459.db2.gz YROALUVFQCJPPL-NSHDSACASA-N 1 0 295.379 2.457 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCc2cnc(C)cn2)c1O ZINC000894967452 629771499 /nfs/dbraw/zinc/77/14/99/629771499.db2.gz PKUJDTMZKHRQSL-UHFFFAOYSA-N 1 0 287.363 2.140 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c1O ZINC000894970181 629773436 /nfs/dbraw/zinc/77/34/36/629773436.db2.gz SRWXVRNMKZFRGN-AAEUAGOBSA-N 1 0 265.353 2.366 20 10 CECDRO COCC[C@H](C)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894992184 629782648 /nfs/dbraw/zinc/78/26/48/629782648.db2.gz YEUIHMPIYQLLIE-NSHDSACASA-N 1 0 267.369 2.471 20 10 CECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cnc[nH]3)C2)cc1 ZINC000895051884 629823938 /nfs/dbraw/zinc/82/39/38/629823938.db2.gz SSEPCHPQCJTZHU-ZDUSSCGKSA-N 1 0 286.379 2.034 20 10 CECDRO COc1cccc(C[N@H+](CCO)Cc2ccc(C)o2)c1O ZINC000793364886 629865120 /nfs/dbraw/zinc/86/51/20/629865120.db2.gz IATHIYQWRQBIPU-UHFFFAOYSA-N 1 0 291.347 2.297 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000796497695 629920504 /nfs/dbraw/zinc/92/05/04/629920504.db2.gz ODAOFKPHYRACIQ-RYUDHWBXSA-N 1 0 265.353 2.163 20 10 CECDRO C[NH2+]CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000237244798 629980147 /nfs/dbraw/zinc/98/01/47/629980147.db2.gz LWICWUCFWSNDSS-UHFFFAOYSA-N 1 0 289.423 2.291 20 10 CECDRO COc1ccc(C[NH2+][C@H]2COC3(CCC3)C2)c(O)c1OC ZINC000895363774 630140143 /nfs/dbraw/zinc/14/01/43/630140143.db2.gz VQVHFGIVLBJZID-GFCCVEGCSA-N 1 0 293.363 2.211 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCNC(=O)CC1(C)C ZINC000895399689 630167550 /nfs/dbraw/zinc/16/75/50/630167550.db2.gz HHSIOJQOIAETDU-UHFFFAOYSA-N 1 0 289.423 2.162 20 10 CECDRO Oc1ccc(Cl)cc1C[NH+]1CCC2(CC1)COCCO2 ZINC000895694777 630304003 /nfs/dbraw/zinc/30/40/03/630304003.db2.gz KCMZRYNUTWTRHK-UHFFFAOYSA-N 1 0 297.782 2.427 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccnc(F)c2)c(O)c1OC ZINC000895769982 630338549 /nfs/dbraw/zinc/33/85/49/630338549.db2.gz XXARDMFZORPISS-UHFFFAOYSA-N 1 0 292.310 2.233 20 10 CECDRO Oc1cccc2c1C[N@@H+]([C@H]1CCC3(C[C@@H]1F)OCCO3)C2 ZINC000895785420 630344074 /nfs/dbraw/zinc/34/40/74/630344074.db2.gz QJMZHMLGYULMBX-KBPBESRZSA-N 1 0 293.338 2.342 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895845121 630368735 /nfs/dbraw/zinc/36/87/35/630368735.db2.gz NFOVRPMKYOBSAB-SWLSCSKDSA-N 1 0 277.364 2.402 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](COC)[C@@H]2CCCOC2)c1O ZINC000895859398 630379552 /nfs/dbraw/zinc/37/95/52/630379552.db2.gz QYNYMGOAYOWTLW-CVEARBPZSA-N 1 0 293.407 2.486 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1O ZINC000896379406 630545732 /nfs/dbraw/zinc/54/57/32/630545732.db2.gz YJGMWUORQWBEJC-AWEZNQCLSA-N 1 0 277.364 2.149 20 10 CECDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCN2C)c1O ZINC000896595656 630609002 /nfs/dbraw/zinc/60/90/02/630609002.db2.gz WPODQGNWOFPAPS-LBPRGKRZSA-N 1 0 299.212 2.257 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2=CCOCC2)cc1F ZINC000824597290 635460293 /nfs/dbraw/zinc/46/02/93/635460293.db2.gz QHRNQQQADFCKPZ-UHFFFAOYSA-N 1 0 264.344 2.328 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](C)O ZINC000824921540 635526014 /nfs/dbraw/zinc/52/60/14/635526014.db2.gz MWDYVWIDAYRIJF-GXFFZTMASA-N 1 0 254.349 2.141 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)c1ccccc1O ZINC000802312899 631423868 /nfs/dbraw/zinc/42/38/68/631423868.db2.gz DTXYONVFOSDFSA-GXTWGEPZSA-N 1 0 276.380 2.490 20 10 CECDRO CCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC000987676477 631444004 /nfs/dbraw/zinc/44/40/04/631444004.db2.gz ZTBSDMGQWWSTNG-UKRRQHHQSA-N 1 0 290.407 2.493 20 10 CECDRO C[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](C)C1)c1ccccc1O ZINC000897468877 631534038 /nfs/dbraw/zinc/53/40/38/631534038.db2.gz ASBMYYCYSBDKGR-CHWSQXEVSA-N 1 0 291.395 2.094 20 10 CECDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841743817 631546819 /nfs/dbraw/zinc/54/68/19/631546819.db2.gz KHZUITIWECCVIK-VIFPVBQESA-N 1 0 270.760 2.221 20 10 CECDRO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000843120284 631729071 /nfs/dbraw/zinc/72/90/71/631729071.db2.gz CUINDXLNPLVGGQ-WSXGPOFGSA-N 1 0 259.397 2.045 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc1 ZINC000897685758 631875849 /nfs/dbraw/zinc/87/58/49/631875849.db2.gz RRHCHOLFIWZQKA-CZUORRHYSA-N 1 0 262.397 2.345 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2cnn(CCF)c2)c1O ZINC000897736848 631907250 /nfs/dbraw/zinc/90/72/50/631907250.db2.gz FIPIBKXXQHNJEC-UHFFFAOYSA-N 1 0 293.342 2.247 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CC3)C1)[C@@H](O)CO2 ZINC000808230838 631938492 /nfs/dbraw/zinc/93/84/92/631938492.db2.gz RBAQYQOZOGFQKZ-WBMJQRKESA-N 1 0 289.375 2.440 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C2CC(CCO)C2)c1 ZINC000898008021 631999264 /nfs/dbraw/zinc/99/92/64/631999264.db2.gz JJLWPCRKUFWQAG-UHFFFAOYSA-N 1 0 265.353 2.042 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)c1O ZINC000808706392 632003164 /nfs/dbraw/zinc/00/31/64/632003164.db2.gz JBIHUBGZZQGNTN-NXEZZACHSA-N 1 0 284.787 2.481 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1O ZINC000808715816 632005319 /nfs/dbraw/zinc/00/53/19/632005319.db2.gz XNQXPRRAQAQMLA-IAQYHMDHSA-N 1 0 298.814 2.071 20 10 CECDRO CCOc1ccc(C[N@H+](C)[C@H]2CCCOC2)c(O)c1 ZINC000809692621 632127845 /nfs/dbraw/zinc/12/78/45/632127845.db2.gz BRCDVDSFAKHVAU-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCCSC2)cc1 ZINC000841044557 632347986 /nfs/dbraw/zinc/34/79/86/632347986.db2.gz CZILCHZNYSYMBF-ZFWWWQNUSA-N 1 0 279.453 2.238 20 10 CECDRO CC[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccccc1O ZINC000927080445 632448654 /nfs/dbraw/zinc/44/86/54/632448654.db2.gz KVJZACDLWWFPJK-OCCSQVGLSA-N 1 0 265.353 2.238 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2NCCc3ccccc32)c1O ZINC000841069044 632470908 /nfs/dbraw/zinc/47/09/08/632470908.db2.gz LNUUFCMFJCZPGY-MRXNPFEDSA-N 1 0 298.386 2.377 20 10 CECDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000812779306 632576074 /nfs/dbraw/zinc/57/60/74/632576074.db2.gz LROCMCLLFXHMGL-GFCCVEGCSA-N 1 0 255.745 2.391 20 10 CECDRO C[C@H](NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1O ZINC000899181400 632726980 /nfs/dbraw/zinc/72/69/80/632726980.db2.gz BREZCXSZXWJQSW-AAEUAGOBSA-N 1 0 276.380 2.442 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C2COCCOC2)c1O ZINC000813879485 632751496 /nfs/dbraw/zinc/75/14/96/632751496.db2.gz MOAALSXHMFXQLJ-JTQLQIEISA-N 1 0 285.771 2.420 20 10 CECDRO CC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000813885322 632751963 /nfs/dbraw/zinc/75/19/63/632751963.db2.gz SRANUMIRXQFOQA-WCABBAIRSA-N 1 0 253.317 2.440 20 10 CECDRO C[C@@H](NC(=[NH2+])NCc1ccc(N(C)C)cc1)C1CC1 ZINC000899263754 632767268 /nfs/dbraw/zinc/76/72/68/632767268.db2.gz MVSBJYYJPHQKSP-LLVKDONJSA-N 1 0 260.385 2.165 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1O ZINC000814172895 632798275 /nfs/dbraw/zinc/79/82/75/632798275.db2.gz CTZLYCAHPNIHJV-MFKMUULPSA-N 1 0 296.798 2.190 20 10 CECDRO CCC[N@H+](CC(N)=O)Cc1cc(Cl)cc(C)c1O ZINC000814177917 632801213 /nfs/dbraw/zinc/80/12/13/632801213.db2.gz UYBRJTDAYUAWAF-UHFFFAOYSA-N 1 0 270.760 2.051 20 10 CECDRO Cc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1N(C)C ZINC000815037334 632951310 /nfs/dbraw/zinc/95/13/10/632951310.db2.gz IAHLZBTUZUFCLK-ZFWWWQNUSA-N 1 0 289.423 2.147 20 10 CECDRO Cc1cc(C[NH+]2CC(O)(C(C)C)C2)ccc1N(C)C ZINC000815102630 632959816 /nfs/dbraw/zinc/95/98/16/632959816.db2.gz KVLQLWULYUKEBV-UHFFFAOYSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)C[S@](C)=O)c(O)c1 ZINC000815615273 633038706 /nfs/dbraw/zinc/03/87/06/633038706.db2.gz MNVZUYNCYRQNMK-SOZUMNATSA-N 1 0 269.410 2.427 20 10 CECDRO NC(=O)C1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000816480776 633397006 /nfs/dbraw/zinc/39/70/06/633397006.db2.gz WVNFNYIODUAQAV-UHFFFAOYSA-N 1 0 284.359 2.243 20 10 CECDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816478108 633397384 /nfs/dbraw/zinc/39/73/84/633397384.db2.gz URKDTDRQTKJVAX-AWEZNQCLSA-N 1 0 284.359 2.243 20 10 CECDRO Cn1cc([C@@H](O)C[NH2+]Cc2ccc3ccccc3c2O)cn1 ZINC000816555116 633411915 /nfs/dbraw/zinc/41/19/15/633411915.db2.gz UNLOOFSVEKKYFE-INIZCTEOSA-N 1 0 297.358 2.102 20 10 CECDRO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816617218 633451256 /nfs/dbraw/zinc/45/12/56/633451256.db2.gz RCXMKXBJBWTQFZ-ZANVPECISA-N 1 0 284.762 2.321 20 10 CECDRO CCOc1ccc(C[NH+]2CC3(C2)CCOC3)c(O)c1 ZINC000816669063 633460722 /nfs/dbraw/zinc/46/07/22/633460722.db2.gz FZFOZDLIQWKAEB-UHFFFAOYSA-N 1 0 263.337 2.013 20 10 CECDRO CCCN1C[C@H](C[NH2+]Cc2cc(C)c(C)cc2O)CC1=O ZINC000817410719 633649617 /nfs/dbraw/zinc/64/96/17/633649617.db2.gz GLHRNRRGUXAHRT-AWEZNQCLSA-N 1 0 290.407 2.357 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c(O)c1 ZINC000817412580 633650444 /nfs/dbraw/zinc/65/04/44/633650444.db2.gz MVWFCQXTLISADQ-STQMWFEESA-N 1 0 279.380 2.241 20 10 CECDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2O)CCO1 ZINC000817415716 633655068 /nfs/dbraw/zinc/65/50/68/633655068.db2.gz XHUPDQJDRZEMRA-STQMWFEESA-N 1 0 295.379 2.457 20 10 CECDRO CON1CCC([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000817418098 633655744 /nfs/dbraw/zinc/65/57/44/633655744.db2.gz AEJFOPVLYSXOGY-PLNGDYQASA-N 1 0 289.423 2.381 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cc(F)ccc1O ZINC000817585264 633702091 /nfs/dbraw/zinc/70/20/91/633702091.db2.gz DQYJWWZSGHCNMB-IJLUTSLNSA-N 1 0 294.370 2.474 20 10 CECDRO CC[C@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000817896389 633758205 /nfs/dbraw/zinc/75/82/05/633758205.db2.gz ICVCTLOSAVGGEP-HOTGVXAUSA-N 1 0 261.413 2.373 20 10 CECDRO C[C@H]([NH2+]C1CC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817937572 633787775 /nfs/dbraw/zinc/78/77/75/633787775.db2.gz XUVORNXIDFCMJQ-QMMMGPOBSA-N 1 0 256.296 2.073 20 10 CECDRO C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817940362 633788484 /nfs/dbraw/zinc/78/84/84/633788484.db2.gz GLSNDXLGXMVTBO-SNVBAGLBSA-N 1 0 252.333 2.182 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000817940428 633788716 /nfs/dbraw/zinc/78/87/16/633788716.db2.gz GEWXFPVDAFAPBK-UAGQMJEPSA-N 1 0 291.439 2.157 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCC[NH2+]C1 ZINC000817948294 633793747 /nfs/dbraw/zinc/79/37/47/633793747.db2.gz WUMKMQKYRGQTAD-GRYCIOLGSA-N 1 0 293.367 2.339 20 10 CECDRO C[C@H](NC1C[NH2+]C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817955246 633798508 /nfs/dbraw/zinc/79/85/08/633798508.db2.gz UAXSMOAEVIYMFT-LBPRGKRZSA-N 1 0 277.387 2.438 20 10 CECDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)c1cnn(C)c1 ZINC000817955667 633799418 /nfs/dbraw/zinc/79/94/18/633799418.db2.gz DVIUXHMOCBYTEN-HNNXBMFYSA-N 1 0 258.369 2.286 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)c2nccn21 ZINC000817957799 633799571 /nfs/dbraw/zinc/79/95/71/633799571.db2.gz PGFAYDPOPIXJAG-RISCZKNCSA-N 1 0 256.353 2.303 20 10 CECDRO C[C@H]([NH2+]CC1C[NH2+]C1)c1cccc(C(F)(F)F)c1[O-] ZINC000817965350 633805955 /nfs/dbraw/zinc/80/59/55/633805955.db2.gz PFIFDOLSEGHTRU-QMMMGPOBSA-N 1 0 274.286 2.281 20 10 CECDRO C[C@@H]([NH3+])CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817970793 633813646 /nfs/dbraw/zinc/81/36/46/633813646.db2.gz FGUSPROIMKEUEN-VXGBXAGGSA-N 1 0 297.830 2.174 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(F)cc(F)c1[O-] ZINC000817982707 633825715 /nfs/dbraw/zinc/82/57/15/633825715.db2.gz VOVRPENVPIYNIG-QXEWZRGKSA-N 1 0 270.323 2.448 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC(=O)Nc2cccnc2)cc1 ZINC000818941248 634011256 /nfs/dbraw/zinc/01/12/56/634011256.db2.gz GOLARROCSPALFN-UHFFFAOYSA-N 1 0 298.390 2.266 20 10 CECDRO COC[C@H](C)C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822494473 634931348 /nfs/dbraw/zinc/93/13/48/634931348.db2.gz POQWOVLGPGYMBV-CABCVRRESA-N 1 0 292.423 2.394 20 10 CECDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]2O)c1O ZINC000822504037 634932568 /nfs/dbraw/zinc/93/25/68/634932568.db2.gz OTPBIILLXANORT-GHMZBOCLSA-N 1 0 286.169 2.076 20 10 CECDRO C[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1ccccc1O ZINC000903349136 635076097 /nfs/dbraw/zinc/07/60/97/635076097.db2.gz CWHMZOODUNRMRT-CYBMUJFWSA-N 1 0 291.391 2.365 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2COC[C@H]2C)c1O ZINC000903393585 635090294 /nfs/dbraw/zinc/09/02/94/635090294.db2.gz PQQDTCRKZLSGNI-JFGNBEQYSA-N 1 0 251.326 2.086 20 10 CECDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1=O ZINC000903387219 635098016 /nfs/dbraw/zinc/09/80/16/635098016.db2.gz DNGUNVXHJTYVAX-WCQYABFASA-N 1 0 292.379 2.062 20 10 CECDRO C[C@H](c1ncccn1)N1CCCc2cc(C[NH3+])ccc21 ZINC000903423581 635124472 /nfs/dbraw/zinc/12/44/72/635124472.db2.gz XNPKWDICEFSDMQ-GFCCVEGCSA-N 1 0 268.364 2.449 20 10 CECDRO COc1nccnc1C[NH2+]CCCSc1nccs1 ZINC000823937956 635309595 /nfs/dbraw/zinc/30/95/95/635309595.db2.gz OHCJNQFRGFQACF-UHFFFAOYSA-N 1 0 296.421 2.214 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000824006405 635320898 /nfs/dbraw/zinc/32/08/98/635320898.db2.gz BKSGQLROWWKDSK-TXEJJXNPSA-N 1 0 265.353 2.042 20 10 CECDRO CC(=O)N1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824542861 635447945 /nfs/dbraw/zinc/44/79/45/635447945.db2.gz ZDFPGZLRTCTCPL-UHFFFAOYSA-N 1 0 296.798 2.408 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccccc1O ZINC000824584263 635457690 /nfs/dbraw/zinc/45/76/90/635457690.db2.gz ZROUTIIPSNWWEM-GDBMZVCRSA-N 1 0 292.423 2.280 20 10 CECDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000824636814 635467838 /nfs/dbraw/zinc/46/78/38/635467838.db2.gz TYMBCOPWXBJLAA-GDBMZVCRSA-N 1 0 262.397 2.345 20 10 CECDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000824636765 635468238 /nfs/dbraw/zinc/46/82/38/635468238.db2.gz SMYINSUMEWMIBR-UKRRQHHQSA-N 1 0 280.387 2.485 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]2C2CC2)cc1OC ZINC000824650772 635469582 /nfs/dbraw/zinc/46/95/82/635469582.db2.gz QOWJHZOKWPPYDI-LBPRGKRZSA-N 1 0 263.337 2.394 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1 ZINC000824653788 635471476 /nfs/dbraw/zinc/47/14/76/635471476.db2.gz IASOXGULSFDJQS-FVQBIDKESA-N 1 0 291.391 2.062 20 10 CECDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000824710448 635482998 /nfs/dbraw/zinc/48/29/98/635482998.db2.gz YWFQGPSIOVDLSU-YGRLFVJLSA-N 1 0 285.771 2.187 20 10 CECDRO COc1cccc(C[NH2+]CC2(CF)CCOCC2)c1O ZINC000824795020 635499956 /nfs/dbraw/zinc/49/99/56/635499956.db2.gz KRFBAQRSWWQORC-UHFFFAOYSA-N 1 0 283.343 2.257 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000825091317 635564105 /nfs/dbraw/zinc/56/41/05/635564105.db2.gz YCKDWEKJUFHGHV-GFCCVEGCSA-N 1 0 279.380 2.384 20 10 CECDRO FC1(F)CC[NH2+]C[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000904354640 635586666 /nfs/dbraw/zinc/58/66/66/635586666.db2.gz IBNBLJSAYLQPQD-CQSZACIVSA-N 1 0 282.334 2.098 20 10 CECDRO c1cc2c(cc1CN[C@@H]1CCCC[NH2+]C1)CCCO2 ZINC000904358551 635590631 /nfs/dbraw/zinc/59/06/31/635590631.db2.gz PGRMYUMYVCACPW-OAHLLOKOSA-N 1 0 260.381 2.243 20 10 CECDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000825294571 635607842 /nfs/dbraw/zinc/60/78/42/635607842.db2.gz UCNJHWXRTOYZME-ZDUSSCGKSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c1O ZINC000904411637 635619443 /nfs/dbraw/zinc/61/94/43/635619443.db2.gz ONWKCBXXRSDYTD-GHMZBOCLSA-N 1 0 298.814 2.471 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CCCO)C2)cc1F ZINC000825339071 635619767 /nfs/dbraw/zinc/61/97/67/635619767.db2.gz ZRCSZUHBVQCVCZ-ZDUSSCGKSA-N 1 0 280.387 2.486 20 10 CECDRO CC1(C)C[NH2+]C[C@@H]1NCc1cc(Cl)ccc1O ZINC000904463235 635635192 /nfs/dbraw/zinc/63/51/92/635635192.db2.gz OJQXRAQWNUCGCP-LBPRGKRZSA-N 1 0 254.761 2.133 20 10 CECDRO OC[C@H]1C=C[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825436542 635638524 /nfs/dbraw/zinc/63/85/24/635638524.db2.gz VXQMKBZLZKWOQW-JOYOIKCWSA-N 1 0 298.180 2.181 20 10 CECDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000825942567 635737089 /nfs/dbraw/zinc/73/70/89/635737089.db2.gz CWTVZOOOCNSROC-JKSUJKDBSA-N 1 0 289.423 2.099 20 10 CECDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000826139748 635765794 /nfs/dbraw/zinc/76/57/94/635765794.db2.gz MQKVNIZXOKVZJQ-KPXOXKRLSA-N 1 0 283.755 2.333 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c1 ZINC000827281688 636279505 /nfs/dbraw/zinc/27/95/05/636279505.db2.gz JLSHRHWXBLNLRS-XJKSGUPXSA-N 1 0 277.364 2.259 20 10 CECDRO CCC[C@@H](O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000827468061 636326918 /nfs/dbraw/zinc/32/69/18/636326918.db2.gz KMICBSGWQAIXOL-MRXNPFEDSA-N 1 0 292.423 2.368 20 10 CECDRO COc1ccc(N2CCC([NH2+]C3([C@@H](C)O)CC3)CC2)cc1 ZINC000827586101 636359810 /nfs/dbraw/zinc/35/98/10/636359810.db2.gz UBOXOVQGPOAIBG-CYBMUJFWSA-N 1 0 290.407 2.167 20 10 CECDRO Cc1cc(O)c(C[NH2+]C2([C@@H](C)O)CC2)cc1Cl ZINC000827585229 636359815 /nfs/dbraw/zinc/35/98/15/636359815.db2.gz CQOYVOKYWBDTFG-SECBINFHSA-N 1 0 255.745 2.357 20 10 CECDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1ccccc1O ZINC000827968910 636473725 /nfs/dbraw/zinc/47/37/25/636473725.db2.gz CUVZPNGCSHACFB-SMDDNHRTSA-N 1 0 274.364 2.196 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1 ZINC000828763072 636670923 /nfs/dbraw/zinc/67/09/23/636670923.db2.gz PPPLCXAROXJPPW-HNNXBMFYSA-N 1 0 295.377 2.278 20 10 CECDRO CCC[N@@H+]1CCC[C@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000906991415 636912770 /nfs/dbraw/zinc/91/27/70/636912770.db2.gz NHTRULLNWPLQBF-HNNXBMFYSA-N 1 0 290.407 2.473 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1C ZINC000829764060 636924613 /nfs/dbraw/zinc/92/46/13/636924613.db2.gz FJQNKNOTAYJFGB-HOTGVXAUSA-N 1 0 289.423 2.065 20 10 CECDRO CC/C=C(\F)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506846 650294995 /nfs/dbraw/zinc/29/49/95/650294995.db2.gz PFMYAQPOWASOEV-UUSOHVMFSA-N 1 0 279.359 2.132 20 10 CECDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876510415 650296528 /nfs/dbraw/zinc/29/65/28/650296528.db2.gz VBZWHWFDHFVGND-AWEZNQCLSA-N 1 0 277.364 2.476 20 10 CECDRO CN(C)c1ccc([C@@H](CNC(=O)OCCF)[NH+](C)C)cc1 ZINC000908460698 637351769 /nfs/dbraw/zinc/35/17/69/637351769.db2.gz XVFMZXBNIFPHAQ-CQSZACIVSA-N 1 0 297.374 2.051 20 10 CECDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCc1ccc(N)cc1 ZINC000832659117 637635795 /nfs/dbraw/zinc/63/57/95/637635795.db2.gz MWPRKBRXPFJBMQ-INIZCTEOSA-N 1 0 289.423 2.192 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[NH2+]CC ZINC000876633829 650368993 /nfs/dbraw/zinc/36/89/93/650368993.db2.gz YCQTZLDFDBKSLE-LBPRGKRZSA-N 1 0 264.369 2.129 20 10 CECDRO CC(=O)NCC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876636438 650369710 /nfs/dbraw/zinc/36/97/10/650369710.db2.gz YGXHXYGALDQXBE-UHFFFAOYSA-N 1 0 276.380 2.049 20 10 CECDRO Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000834478788 637842904 /nfs/dbraw/zinc/84/29/04/637842904.db2.gz WLFSBGZLOBECQG-UHFFFAOYSA-N 1 0 297.406 2.149 20 10 CECDRO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834531208 637856535 /nfs/dbraw/zinc/85/65/35/637856535.db2.gz SDLRSQUFPAHPMZ-ZIAGYGMSSA-N 1 0 279.380 2.003 20 10 CECDRO C[C@H](Cc1cnccn1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834544580 637860280 /nfs/dbraw/zinc/86/02/80/637860280.db2.gz NWKGLKLCVFEBCF-RISCZKNCSA-N 1 0 269.348 2.390 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000834844943 637968471 /nfs/dbraw/zinc/96/84/71/637968471.db2.gz WILMXXGOOMYBDD-IUODEOHRSA-N 1 0 267.369 2.139 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834880485 637977004 /nfs/dbraw/zinc/97/70/04/637977004.db2.gz FWTIHGWCBOWIKO-UMVBOHGHSA-N 1 0 277.364 2.021 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000834880468 637977190 /nfs/dbraw/zinc/97/71/90/637977190.db2.gz DGOAWIJTCQFXQU-HEHGZKQESA-N 1 0 279.380 2.403 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000834881022 637977246 /nfs/dbraw/zinc/97/72/46/637977246.db2.gz YFPNTPITQMQABI-FIXISWKDSA-N 1 0 283.343 2.233 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)CC(=O)NC)c1ccc(N(C)C)cc1 ZINC000834900229 637981127 /nfs/dbraw/zinc/98/11/27/637981127.db2.gz ODPRNUPBIPPZQB-WFASDCNBSA-N 1 0 277.412 2.318 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)CC(=O)NC)c1ccc(N(C)C)cc1 ZINC000834900227 637981387 /nfs/dbraw/zinc/98/13/87/637981387.db2.gz ODPRNUPBIPPZQB-IUODEOHRSA-N 1 0 277.412 2.318 20 10 CECDRO CC[C@H]([NH2+][C@@H](CC)c1ccc(N(C)C)cc1)C(=O)NC ZINC000834910046 637985290 /nfs/dbraw/zinc/98/52/90/637985290.db2.gz CJEABLVJYSKKIE-GJZGRUSLSA-N 1 0 277.412 2.318 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000835025155 638028536 /nfs/dbraw/zinc/02/85/36/638028536.db2.gz 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Oc1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000226611458 639556087 /nfs/dbraw/zinc/55/60/87/639556087.db2.gz OUUIPSQCGNKDSD-GWCFXTLKSA-N 1 0 253.317 2.172 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](C)N(C)C)c(Cl)c1 ZINC000840889517 639573955 /nfs/dbraw/zinc/57/39/55/639573955.db2.gz HFDIOTMERNDMQS-JTQLQIEISA-N 1 0 256.777 2.394 20 10 CECDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000840892045 639575667 /nfs/dbraw/zinc/57/56/67/639575667.db2.gz XKRAPBNOOYUUOR-DTWKUNHWSA-N 1 0 286.322 2.234 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840899573 639577540 /nfs/dbraw/zinc/57/75/40/639577540.db2.gz LXMGLPKTNCXPCF-WDEREUQCSA-N 1 0 296.798 2.488 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)CCN2CCCC2=O)c(Cl)c1 ZINC000840918814 639585563 /nfs/dbraw/zinc/58/55/63/639585563.db2.gz ZKKXVDKMXSWWCG-UHFFFAOYSA-N 1 0 296.798 2.408 20 10 CECDRO CNC(=O)CCC[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840917476 639586209 /nfs/dbraw/zinc/58/62/09/639586209.db2.gz PEKXUQGCDSXGOJ-UHFFFAOYSA-N 1 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C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(N)cc1 ZINC000841299986 639732698 /nfs/dbraw/zinc/73/26/98/639732698.db2.gz PSDACFVRJOAKHV-DOMZBBRYSA-N 1 0 288.395 2.359 20 10 CECDRO CCOc1cccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1O ZINC000230153080 639742077 /nfs/dbraw/zinc/74/20/77/639742077.db2.gz KHFYYFRPNDHFIN-ABAIWWIYSA-N 1 0 265.353 2.448 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCOC)cc1F ZINC000062734116 639780269 /nfs/dbraw/zinc/78/02/69/639780269.db2.gz MNGYSHULSOBICV-UHFFFAOYSA-N 1 0 254.349 2.408 20 10 CECDRO CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841881776 639897299 /nfs/dbraw/zinc/89/72/99/639897299.db2.gz UTFQUKZYUCBPRX-OLZOCXBDSA-N 1 0 292.427 2.111 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1C ZINC000841893229 639901563 /nfs/dbraw/zinc/90/15/63/639901563.db2.gz BXDLIMTZVOKVDA-CYBMUJFWSA-N 1 0 284.350 2.433 20 10 CECDRO FC(F)CN1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000841894648 639901704 /nfs/dbraw/zinc/90/17/04/639901704.db2.gz SJWGVRQDRKPBFH-CYBMUJFWSA-N 1 0 282.334 2.051 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)NCCC[NH3+] ZINC000841931793 639907991 /nfs/dbraw/zinc/90/79/91/639907991.db2.gz GZGVPVPAPWJWDG-UHFFFAOYSA-N 1 0 279.384 2.053 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+][C@@H](C)C2)c1O ZINC000842473449 640072922 /nfs/dbraw/zinc/07/29/22/640072922.db2.gz KBSCNGSJPGJLCZ-VIFPVBQESA-N 1 0 282.771 2.042 20 10 CECDRO CC(C)C[C@H]([NH3+])c1noc(Cc2ccc(N)cc2)n1 ZINC000842588642 640110045 /nfs/dbraw/zinc/11/00/45/640110045.db2.gz NRRLRBZEXFPQRX-LBPRGKRZSA-N 1 0 260.341 2.289 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000842913310 640220292 /nfs/dbraw/zinc/22/02/92/640220292.db2.gz ZHLNGEOQCZQKJO-MVVXRAEJSA-N 1 0 281.327 2.083 20 10 CECDRO Cc1cc(Br)c(O)c(CN2CCC[C@H]([NH3+])C2)c1 ZINC000843043858 640244268 /nfs/dbraw/zinc/24/42/68/640244268.db2.gz MCEFREVWBIHRMB-NSHDSACASA-N 1 0 299.212 2.386 20 10 CECDRO COc1cc(O)c(CN2CCCC[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000843044720 640250141 /nfs/dbraw/zinc/25/01/41/640250141.db2.gz GHEHQPMUJDQNGN-YPMHNXCESA-N 1 0 294.395 2.111 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843046346 640250859 /nfs/dbraw/zinc/25/08/59/640250859.db2.gz XCUASCRFQZALRG-IUODEOHRSA-N 1 0 278.371 2.495 20 10 CECDRO CCN(CC)c1ccc(CN2CCC[NH2+]CC2)cc1F ZINC000843047636 640253076 /nfs/dbraw/zinc/25/30/76/640253076.db2.gz SMCIUSNAAYIYBV-UHFFFAOYSA-N 1 0 279.403 2.467 20 10 CECDRO CCOc1ccc(O)c(CN2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000843051756 640254687 /nfs/dbraw/zinc/25/46/87/640254687.db2.gz LJUHNVOYJRBRIY-WFASDCNBSA-N 1 0 278.396 2.350 20 10 CECDRO C[NH2+]C[C@@H]1CCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000843055042 640257339 /nfs/dbraw/zinc/25/73/39/640257339.db2.gz DTUFLIWKDBUNEO-YXMMZVCTSA-N 1 0 273.424 2.450 20 10 CECDRO C[NH2+]C[C@H]1CCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000843055040 640257552 /nfs/dbraw/zinc/25/75/52/640257552.db2.gz DTUFLIWKDBUNEO-UKINESCASA-N 1 0 273.424 2.450 20 10 CECDRO Cc1cc(Br)cc(CN2CCC[C@@H]2C[NH3+])c1O ZINC000843054081 640257815 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ZINC000843128374 640295430 /nfs/dbraw/zinc/29/54/30/640295430.db2.gz WZDUGRNAEFMYIT-WTNGUMASSA-N 1 0 285.435 2.450 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000843353771 640400330 /nfs/dbraw/zinc/40/03/30/640400330.db2.gz PSCNPJKPLVRVNW-XPTSAGLGSA-N 1 0 296.798 2.417 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c1 ZINC000914433129 640404963 /nfs/dbraw/zinc/40/49/63/640404963.db2.gz KMHSAVRKUNAIMK-HUUCEWRRSA-N 1 0 277.364 2.306 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+][C@@H](C)[C@H]2C)c1O ZINC000843376859 640410275 /nfs/dbraw/zinc/41/02/75/640410275.db2.gz FGAJQTWYHRFXRO-VHSXEESVSA-N 1 0 296.798 2.430 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C[NH3+])C2CC2)c1O ZINC000843387235 640413330 /nfs/dbraw/zinc/41/33/30/640413330.db2.gz QUJITRCPLRKMDD-AWEZNQCLSA-N 1 0 296.798 2.417 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)[NH3+] ZINC000843486124 640441162 /nfs/dbraw/zinc/44/11/62/640441162.db2.gz QGCSJTFDUGDBOL-CYBMUJFWSA-N 1 0 277.412 2.227 20 10 CECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCC[NH2+]1 ZINC000843490376 640441853 /nfs/dbraw/zinc/44/18/53/640441853.db2.gz SWZHBFLUWRNSPA-OAHLLOKOSA-N 1 0 288.391 2.029 20 10 CECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(N)cc2)C[C@@H]1C ZINC000844184973 640625657 /nfs/dbraw/zinc/62/56/57/640625657.db2.gz BAFKKNMDHLRLBX-XJKSGUPXSA-N 1 0 289.423 2.143 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1O ZINC000154415529 640889521 /nfs/dbraw/zinc/88/95/21/640889521.db2.gz GJEUBXXHPWEUGZ-ZDUSSCGKSA-N 1 0 265.353 2.136 20 10 CECDRO CCN1C[C@H](C[NH2+]Cc2c(O)cccc2Cl)CC1=O ZINC000846094897 641179425 /nfs/dbraw/zinc/17/94/25/641179425.db2.gz UYXPGCANXPXUFD-JTQLQIEISA-N 1 0 282.771 2.004 20 10 CECDRO C[C@@H](CCO)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000846110607 641185788 /nfs/dbraw/zinc/18/57/88/641185788.db2.gz IVVXOVKCSBEUMF-GXMNPTEKSA-N 1 0 262.397 2.469 20 10 CECDRO C[C@H](CCO)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000846110609 641185902 /nfs/dbraw/zinc/18/59/02/641185902.db2.gz IVVXOVKCSBEUMF-VBROQKIQSA-N 1 0 262.397 2.469 20 10 CECDRO CC(=O)NCCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000920780809 641195652 /nfs/dbraw/zinc/19/56/52/641195652.db2.gz BVZXVFAJPMLLAH-UHFFFAOYSA-N 1 0 291.439 2.489 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)C(C)C)c1O ZINC000846145203 641202349 /nfs/dbraw/zinc/20/23/49/641202349.db2.gz NFAHWWSKNLDSKA-PWSUYJOCSA-N 1 0 253.342 2.068 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)CCCO)c1O ZINC000846150470 641203346 /nfs/dbraw/zinc/20/33/46/641203346.db2.gz POCPKWMVJCFMJZ-MNOVXSKESA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1O ZINC000846153066 641204655 /nfs/dbraw/zinc/20/46/55/641204655.db2.gz FDYOGDGXHXERPG-PWSUYJOCSA-N 1 0 287.363 2.332 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@H](C)O ZINC000846170061 641212033 /nfs/dbraw/zinc/21/20/33/641212033.db2.gz VTIKAPZFVICYST-NHCYSSNCSA-N 1 0 253.342 2.211 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCc2nnc(C)s2)c1O ZINC000846174052 641213044 /nfs/dbraw/zinc/21/30/44/641213044.db2.gz WJKDOSFFDRWRDD-SECBINFHSA-N 1 0 293.392 2.454 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)c(O)c1C ZINC000846192354 641218845 /nfs/dbraw/zinc/21/88/45/641218845.db2.gz HQOFQGRQMWLWEW-CZUORRHYSA-N 1 0 279.380 2.201 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c1 ZINC000846212475 641224737 /nfs/dbraw/zinc/22/47/37/641224737.db2.gz LRVXAEVZOJZKJJ-BBRMVZONSA-N 1 0 279.380 2.283 20 10 CECDRO CC[C@@]1(C(=O)N[C@@H](C)c2ccccc2O)CCC[NH2+]1 ZINC000877255265 650643569 /nfs/dbraw/zinc/64/35/69/650643569.db2.gz BGSKGXGYVQSBDI-NHYWBVRUSA-N 1 0 262.353 2.102 20 10 CECDRO CCc1nn(C)cc1C[N@H+](C)Cc1ccccc1O ZINC000179770566 641381103 /nfs/dbraw/zinc/38/11/03/641381103.db2.gz HDCFRSPLPCGIAQ-UHFFFAOYSA-N 1 0 259.353 2.320 20 10 CECDRO C[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)[C@@H]1C[NH3+] ZINC000070175325 641642008 /nfs/dbraw/zinc/64/20/08/641642008.db2.gz OMHOTDWAVXAHRA-CZUORRHYSA-N 1 0 261.413 2.312 20 10 CECDRO CO[C@H](CN(C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000877342492 650680391 /nfs/dbraw/zinc/68/03/91/650680391.db2.gz NRXYLIMMSCXXGV-QGZVFWFLSA-N 1 0 292.423 2.488 20 10 CECDRO CC[C@@H]([NH2+]C[C@](C)(CO)OC)c1ccc(C)cc1O ZINC000848556371 642051415 /nfs/dbraw/zinc/05/14/15/642051415.db2.gz WCVNJWGYJJZRGT-UKRRQHHQSA-N 1 0 267.369 2.139 20 10 CECDRO CO[C@](C)(CO)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000848556433 642052146 /nfs/dbraw/zinc/05/21/46/642052146.db2.gz XQOUSSMAVCHTFO-HZMBPMFUSA-N 1 0 287.787 2.402 20 10 CECDRO CO[C@@](C)(CO)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000848559290 642053157 /nfs/dbraw/zinc/05/31/57/642053157.db2.gz RUNKTUCNEJLCAK-SJKOYZFVSA-N 1 0 293.407 2.319 20 10 CECDRO Cc1ccc(C[NH+]2CCC(O)(C(F)F)CC2)c(O)c1 ZINC000877437437 650721645 /nfs/dbraw/zinc/72/16/45/650721645.db2.gz GBCBMAJBRLHLJQ-UHFFFAOYSA-N 1 0 271.307 2.293 20 10 CECDRO CCc1cccc(C[NH+]2CCN(CC(F)F)CC2)c1O ZINC000848883499 642169020 /nfs/dbraw/zinc/16/90/20/642169020.db2.gz OVXMSDYXYBUCIX-UHFFFAOYSA-N 1 0 284.350 2.337 20 10 CECDRO CCc1cccc(C[NH2+]CCOC[C@@H]2CCOC2)c1O ZINC000848896151 642175987 /nfs/dbraw/zinc/17/59/87/642175987.db2.gz TXAONCJMKZDDBB-CYBMUJFWSA-N 1 0 279.380 2.097 20 10 CECDRO CCc1cccc(C[N@@H+]2CCCC3(C2)OCCO3)c1O ZINC000848901037 642178703 /nfs/dbraw/zinc/17/87/03/642178703.db2.gz NLCQEOYINIYCPU-UHFFFAOYSA-N 1 0 277.364 2.294 20 10 CECDRO CCNC(=O)C1(C[NH2+]Cc2cccc(CC)c2O)CCC1 ZINC000848905598 642182604 /nfs/dbraw/zinc/18/26/04/642182604.db2.gz KBPCPVCHIZSVSQ-UHFFFAOYSA-N 1 0 290.407 2.351 20 10 CECDRO CCc1cccc(C[NH2+]CC2(C)OCCCO2)c1O ZINC000848906250 642182948 /nfs/dbraw/zinc/18/29/48/642182948.db2.gz SHUFXSJXOKVGPY-UHFFFAOYSA-N 1 0 265.353 2.197 20 10 CECDRO CCC[NH2+]CCN[C@@H](C)c1cc(OC)ccc1O ZINC000817961823 642183304 /nfs/dbraw/zinc/18/33/04/642183304.db2.gz DDNRCXJZQOCKKC-NSHDSACASA-N 1 0 252.358 2.051 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)Cc2cnn(C)c2)c1O ZINC000848913887 642187014 /nfs/dbraw/zinc/18/70/14/642187014.db2.gz AUCRPYSCNCQVHI-GFCCVEGCSA-N 1 0 273.380 2.409 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1O ZINC000848920147 642193394 /nfs/dbraw/zinc/19/33/94/642193394.db2.gz YOKINJANJJBHNK-OAHLLOKOSA-N 1 0 298.390 2.431 20 10 CECDRO CC(C)N(C)CC[NH2+]Cc1c(O)cccc1Cl ZINC000083552354 642204888 /nfs/dbraw/zinc/20/48/88/642204888.db2.gz YSWIHEMWYVODAI-UHFFFAOYSA-N 1 0 256.777 2.475 20 10 CECDRO CCC(O)(CC)CC[NH2+]Cc1c(O)cccc1OC ZINC000788078526 642233201 /nfs/dbraw/zinc/23/32/01/642233201.db2.gz WQFJWBRORQHAOD-UHFFFAOYSA-N 1 0 267.369 2.432 20 10 CECDRO CN1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921594970 642256721 /nfs/dbraw/zinc/25/67/21/642256721.db2.gz YACXRVDLMIYANG-HNNXBMFYSA-N 1 0 260.381 2.195 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@]2(CCOC2)O1 ZINC000877492954 650749803 /nfs/dbraw/zinc/74/98/03/650749803.db2.gz YZTLYJKUPSGYEE-PBHICJAKSA-N 1 0 291.391 2.471 20 10 CECDRO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc(C)cc1O ZINC000877496206 650750742 /nfs/dbraw/zinc/75/07/42/650750742.db2.gz OLROGPGJPWGBSM-LBPRGKRZSA-N 1 0 265.353 2.474 20 10 CECDRO c1nn2c(c1C[NH2+]Cc1ccc3c(c1)CCO3)CCC2 ZINC000850111937 642583769 /nfs/dbraw/zinc/58/37/69/642583769.db2.gz SBQNGRTXPMFMDZ-UHFFFAOYSA-N 1 0 269.348 2.054 20 10 CECDRO CSC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921767773 642597100 /nfs/dbraw/zinc/59/71/00/642597100.db2.gz SIHIJQAFKDRIJJ-OAHLLOKOSA-N 1 0 281.421 2.215 20 10 CECDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c(O)c1 ZINC000877530982 650770931 /nfs/dbraw/zinc/77/09/31/650770931.db2.gz HFDWRDIIQHJVIZ-DZGCQCFKSA-N 1 0 262.397 2.473 20 10 CECDRO CC[C@H](COCC1CC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850350163 642676678 /nfs/dbraw/zinc/67/66/78/642676678.db2.gz PAUIRECFXDNKAT-CYBMUJFWSA-N 1 0 293.363 2.416 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C/C=C/CO)cc1F ZINC000850357296 642681236 /nfs/dbraw/zinc/68/12/36/642681236.db2.gz DZSPVKZGCYINHR-AATRIKPKSA-N 1 0 266.360 2.310 20 10 CECDRO c1nc2n(n1)CCC[C@@H]2NCc1ccc2c(c1)CCCO2 ZINC000921821699 642688033 /nfs/dbraw/zinc/68/80/33/642688033.db2.gz QWKVVPLMMVSPNR-AWEZNQCLSA-N 1 0 284.363 2.228 20 10 CECDRO CCOc1cccc(C[NH2+]CC(O)(C2CC2)C2CC2)c1O ZINC000850386222 642694449 /nfs/dbraw/zinc/69/44/49/642694449.db2.gz HCETXALKQCKMKU-UHFFFAOYSA-N 1 0 291.391 2.432 20 10 CECDRO Cc1cncc(CC[NH2+]Cc2cc(C)c(C)cc2O)n1 ZINC000850390659 642697345 /nfs/dbraw/zinc/69/73/45/642697345.db2.gz MZIOWNNANXYAHK-UHFFFAOYSA-N 1 0 271.364 2.440 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c1 ZINC000850484214 642728551 /nfs/dbraw/zinc/72/85/51/642728551.db2.gz FIYNEEPBISZILD-HWWQOWPSSA-N 1 0 295.379 2.103 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C2)cc1 ZINC000850488941 642730121 /nfs/dbraw/zinc/73/01/21/642730121.db2.gz PQABYAIENUNRKE-MJBXVCDLSA-N 1 0 278.396 2.287 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccccc1O ZINC000850499517 642733078 /nfs/dbraw/zinc/73/30/78/642733078.db2.gz QXXCSQYRNQXEQB-JFGNBEQYSA-N 1 0 258.325 2.340 20 10 CECDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922007767 642838771 /nfs/dbraw/zinc/83/87/71/642838771.db2.gz FYDLFPZBLBDROL-GWQWAINWSA-N 1 0 261.365 2.428 20 10 CECDRO COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877591891 650804069 /nfs/dbraw/zinc/80/40/69/650804069.db2.gz AOKDFVUPAUUMIY-CYBMUJFWSA-N 1 0 295.404 2.039 20 10 CECDRO OC1CCN(c2ccc(C[NH2+][C@H]3CC34CC4)cc2)CC1 ZINC000877597464 650808294 /nfs/dbraw/zinc/80/82/94/650808294.db2.gz MVAPRFWTOYZKIF-INIZCTEOSA-N 1 0 272.392 2.290 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c(O)c1 ZINC000877623015 650818619 /nfs/dbraw/zinc/81/86/19/650818619.db2.gz GVLJGIJCHPXWLG-TYILLQQXSA-N 1 0 281.421 2.480 20 10 CECDRO Cc1cc(C[N@@H+](C)Cc2ccccc2O)nc(C)n1 ZINC000851840886 643185936 /nfs/dbraw/zinc/18/59/36/643185936.db2.gz KVTIYJRDNXUBDX-UHFFFAOYSA-N 1 0 257.337 2.431 20 10 CECDRO CCC[C@@H](O)CC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000922816859 643279848 /nfs/dbraw/zinc/27/98/48/643279848.db2.gz KQOONMIGCFOWHM-LLVKDONJSA-N 1 0 259.296 2.311 20 10 CECDRO CCN(C)c1ccc(CN(C)Cc2nnc(C)o2)cc1 ZINC000852471211 643435671 /nfs/dbraw/zinc/43/56/71/643435671.db2.gz GOWSGZFJMPBWIU-UHFFFAOYSA-N 1 0 274.368 2.466 20 10 CECDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cccc(C)c2O)C[C@@H]1C ZINC000877666916 650841472 /nfs/dbraw/zinc/84/14/72/650841472.db2.gz PCDSFBTUDPFUPC-LRDDRELGSA-N 1 0 277.364 2.332 20 10 CECDRO CCOc1ccc(C[NH2+]CCOC2CCOCC2)c(O)c1 ZINC000922934851 643463785 /nfs/dbraw/zinc/46/37/85/643463785.db2.gz XIHXUKPKDSRGHW-UHFFFAOYSA-N 1 0 295.379 2.076 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)cc1 ZINC000852557988 643471600 /nfs/dbraw/zinc/47/16/00/643471600.db2.gz DKGHQKRJMIVTTO-XJKSGUPXSA-N 1 0 262.397 2.488 20 10 CECDRO C[C@@H]1CN(C)c2ccccc2N(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852817660 643563566 /nfs/dbraw/zinc/56/35/66/643563566.db2.gz GTLIAJLZQWMUTN-CQSZACIVSA-N 1 0 299.418 2.415 20 10 CECDRO C[NH2+][C@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923284864 643639706 /nfs/dbraw/zinc/63/97/06/643639706.db2.gz WDFSKVXVIJYJRJ-HNNXBMFYSA-N 1 0 261.413 2.245 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2ccnn2CC)c(O)c1 ZINC000853093497 643650019 /nfs/dbraw/zinc/65/00/19/643650019.db2.gz LTFOWLFZVAZDBT-UHFFFAOYSA-N 1 0 275.352 2.297 20 10 CECDRO CO[C@@H](C[N@@H+]1Cc2cccc(O)c2C1)C1CCOCC1 ZINC000877703094 650859696 /nfs/dbraw/zinc/85/96/96/650859696.db2.gz RFYHVHTYYNKUJA-INIZCTEOSA-N 1 0 277.364 2.149 20 10 CECDRO CCOC(=O)c1cc(C[NH2+]Cc2ccc(C)cc2O)on1 ZINC000877711667 650865910 /nfs/dbraw/zinc/86/59/10/650865910.db2.gz UCFOGJOIRSAMRG-UHFFFAOYSA-N 1 0 290.319 2.155 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c1O ZINC000853566124 643814253 /nfs/dbraw/zinc/81/42/53/643814253.db2.gz MCXDFDXPAFBRGS-BBRMVZONSA-N 1 0 277.364 2.178 20 10 CECDRO Cc1ccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c(O)c1 ZINC000877729260 650875165 /nfs/dbraw/zinc/87/51/65/650875165.db2.gz YWGBKFDTNDUIOT-OAHLLOKOSA-N 1 0 291.391 2.376 20 10 CECDRO Cc1ccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c(O)c1 ZINC000877729259 650875323 /nfs/dbraw/zinc/87/53/23/650875323.db2.gz YWGBKFDTNDUIOT-HNNXBMFYSA-N 1 0 291.391 2.376 20 10 CECDRO COc1ccc(N2CC[C@H](N[C@@H](C)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000854216637 644013485 /nfs/dbraw/zinc/01/34/85/644013485.db2.gz BNZPQFYZGXGJFZ-ZQIUZPCESA-N 1 0 289.423 2.004 20 10 CECDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1=CC(=O)CS1)C2 ZINC000854735512 644147682 /nfs/dbraw/zinc/14/76/82/644147682.db2.gz RDCRQOBALKWYKK-AWEZNQCLSA-N 1 0 280.393 2.012 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)cc1F ZINC000877752661 650895579 /nfs/dbraw/zinc/89/55/79/650895579.db2.gz HAPHFPTUGZKVOZ-ZDUSSCGKSA-N 1 0 280.387 2.485 20 10 CECDRO C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000839183559 644182511 /nfs/dbraw/zinc/18/25/11/644182511.db2.gz YGCFHCKIOXMEHZ-LBPRGKRZSA-N 1 0 293.367 2.122 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1O ZINC000877755948 650899377 /nfs/dbraw/zinc/89/93/77/650899377.db2.gz URGYJYUCXKWVKR-AGIUHOORSA-N 1 0 297.420 2.399 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1cc2c(cc1O)CCCC2 ZINC000756507242 644657241 /nfs/dbraw/zinc/65/72/41/644657241.db2.gz CTIOVUMKZFHCMF-ABAIWWIYSA-N 1 0 288.391 2.200 20 10 CECDRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000756526106 644658913 /nfs/dbraw/zinc/65/89/13/644658913.db2.gz FMDMJGYQXFWVBZ-ZYHUDNBSSA-N 1 0 296.342 2.413 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCO[C@H](C)C2)c1 ZINC000756542503 644660877 /nfs/dbraw/zinc/66/08/77/644660877.db2.gz ASPMNNACGPEWHV-KGLIPLIRSA-N 1 0 278.396 2.072 20 10 CECDRO CCc1nncn1CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756621884 644675065 /nfs/dbraw/zinc/67/50/65/644675065.db2.gz UGXAGCMLBJWTMR-LBPRGKRZSA-N 1 0 274.368 2.205 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(N)=O)nc2)c1 ZINC000756640176 644676597 /nfs/dbraw/zinc/67/65/97/644676597.db2.gz KUZJFMZIJVKQMZ-LLVKDONJSA-N 1 0 285.347 2.045 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC2CC2)c(O)c1 ZINC000756760217 644690558 /nfs/dbraw/zinc/69/05/58/644690558.db2.gz IWBSZWKENLUMKT-LBPRGKRZSA-N 1 0 297.420 2.176 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCNC(=O)OC(C)(C)C)c1 ZINC000114505863 644698968 /nfs/dbraw/zinc/69/89/68/644698968.db2.gz SHFMHAZTIUJMMV-UHFFFAOYSA-N 1 0 296.367 2.015 20 10 CECDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000839672812 644780052 /nfs/dbraw/zinc/78/00/52/644780052.db2.gz HOXTWIPCUQONJA-ZFWWWQNUSA-N 1 0 262.397 2.345 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000857084284 644812216 /nfs/dbraw/zinc/81/22/16/644812216.db2.gz LNHZRPQLJXKUBG-NDMJEZRESA-N 1 0 292.354 2.290 20 10 CECDRO C[C@H](C[S@](C)=O)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000757659327 644832453 /nfs/dbraw/zinc/83/24/53/644832453.db2.gz YGBHBSZZFXGGMU-XQZNDVAUSA-N 1 0 285.384 2.436 20 10 CECDRO COC1CC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000757678783 644835167 /nfs/dbraw/zinc/83/51/67/644835167.db2.gz HUNVNIHHSPIECD-KTAKPFMOSA-N 1 0 290.407 2.351 20 10 CECDRO Oc1cccc2c1C[C@@H]([NH2+]Cc1ccccc1O)C2 ZINC000758560557 644940320 /nfs/dbraw/zinc/94/03/20/644940320.db2.gz MRPGFZHGPXUWLX-ZDUSSCGKSA-N 1 0 255.317 2.355 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)C[N@@H+](C)C(C)C ZINC000115490655 644959529 /nfs/dbraw/zinc/95/95/29/644959529.db2.gz LBIBTOOUEKJLSQ-UHFFFAOYSA-N 1 0 277.412 2.017 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)cc1 ZINC000858226749 645092774 /nfs/dbraw/zinc/09/27/74/645092774.db2.gz PGIZVKAMCLKAGQ-SJORKVTESA-N 1 0 292.423 2.162 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(Cl)cc1O ZINC000858523956 645191083 /nfs/dbraw/zinc/19/10/83/645191083.db2.gz ZUKXEPWAIDSOEV-CMPLNLGQSA-N 1 0 284.787 2.027 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(Cl)ccc1O ZINC000858545907 645197367 /nfs/dbraw/zinc/19/73/67/645197367.db2.gz WWMGQRLHTWZEBJ-KKZNHRDASA-N 1 0 255.745 2.467 20 10 CECDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000858588179 645215181 /nfs/dbraw/zinc/21/51/81/645215181.db2.gz WQYBOWAAQVFWAV-DTWKUNHWSA-N 1 0 286.759 2.105 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000763784430 645577538 /nfs/dbraw/zinc/57/75/38/645577538.db2.gz ZQPHTIJJBIJLJL-IUODEOHRSA-N 1 0 288.391 2.499 20 10 CECDRO CCOC[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000859770499 645598541 /nfs/dbraw/zinc/59/85/41/645598541.db2.gz BKNPVSZMJKZQAQ-MRXNPFEDSA-N 1 0 292.423 2.298 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000765794499 645810587 /nfs/dbraw/zinc/81/05/87/645810587.db2.gz CQYHVLIZJBJZRQ-VXGBXAGGSA-N 1 0 282.771 2.050 20 10 CECDRO COc1cccc(O)c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000768143706 646088589 /nfs/dbraw/zinc/08/85/89/646088589.db2.gz MPNZTDHDVIBAJX-UHFFFAOYSA-N 1 0 299.374 2.118 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCO[C@@H](CC)C2)c(O)c1 ZINC000768239472 646099513 /nfs/dbraw/zinc/09/95/13/646099513.db2.gz WLVVQIUYECNGLJ-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCCO1 ZINC000768247594 646101113 /nfs/dbraw/zinc/10/11/13/646101113.db2.gz CAHNUCRJZMSZBU-NSHDSACASA-N 1 0 251.326 2.012 20 10 CECDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000768400982 646119778 /nfs/dbraw/zinc/11/97/78/646119778.db2.gz IONISHODGFYKCB-ZDUSSCGKSA-N 1 0 272.396 2.207 20 10 CECDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC(C)C ZINC000768438534 646122337 /nfs/dbraw/zinc/12/23/37/646122337.db2.gz BHCUMIAITFTXGE-AWEZNQCLSA-N 1 0 265.353 2.296 20 10 CECDRO CC(C)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464764 646127719 /nfs/dbraw/zinc/12/77/19/646127719.db2.gz UXQWNPPSCRWJPK-IAQYHMDHSA-N 1 0 277.364 2.296 20 10 CECDRO CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768464449 646128626 /nfs/dbraw/zinc/12/86/26/646128626.db2.gz RUQOQPCOMIQUBH-HNNXBMFYSA-N 1 0 261.365 2.492 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2c(O)cccc2OC)C[C@@H](C)O1 ZINC000769104682 646205946 /nfs/dbraw/zinc/20/59/46/646205946.db2.gz JFXRILSZGVRNPA-VXGBXAGGSA-N 1 0 265.353 2.400 20 10 CECDRO CCOc1cccc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)c1O ZINC000769327255 646245767 /nfs/dbraw/zinc/24/57/67/646245767.db2.gz UUXJAAJEWCFGMZ-OAHLLOKOSA-N 1 0 290.407 2.459 20 10 CECDRO CCOc1ccc(C[N@H+](C)CCn2cccn2)c(O)c1 ZINC000769404823 646261396 /nfs/dbraw/zinc/26/13/96/646261396.db2.gz SAKFWHFNAJXJOC-UHFFFAOYSA-N 1 0 275.352 2.119 20 10 CECDRO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000770510102 646400135 /nfs/dbraw/zinc/40/01/35/646400135.db2.gz JEPUVWIIYZFGMI-CQSZACIVSA-N 1 0 276.380 2.129 20 10 CECDRO CN(C)c1cc(F)c(CN2C[C@H](O)C(C)(C)C2)cc1F ZINC000862352101 646406262 /nfs/dbraw/zinc/40/62/62/646406262.db2.gz XTKAKDXEOMTNBD-AWEZNQCLSA-N 1 0 284.350 2.234 20 10 CECDRO CC[C@@H](CO)[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862382688 646428037 /nfs/dbraw/zinc/42/80/37/646428037.db2.gz WRLUHDZOKLCPSY-NSHDSACASA-N 1 0 272.339 2.234 20 10 CECDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000862388261 646431214 /nfs/dbraw/zinc/43/12/14/646431214.db2.gz YPYYVUKWPIIELI-OAHLLOKOSA-N 1 0 292.423 2.116 20 10 CECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000862487687 646478909 /nfs/dbraw/zinc/47/89/09/646478909.db2.gz UMSVMODSGGNUJR-LBPRGKRZSA-N 1 0 291.347 2.142 20 10 CECDRO CCn1nccc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000118979052 646515737 /nfs/dbraw/zinc/51/57/37/646515737.db2.gz LAWOIZFKLYTJOT-UHFFFAOYSA-N 1 0 276.359 2.398 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc(N)s2)cc1 ZINC000771934890 646573127 /nfs/dbraw/zinc/57/31/27/646573127.db2.gz GBVXKGGQSIYJFN-UHFFFAOYSA-N 1 0 276.409 2.423 20 10 CECDRO COc1cc(C[N@H+](C)CC2(C)COC2)c(O)cc1C ZINC000863295827 646698216 /nfs/dbraw/zinc/69/82/16/646698216.db2.gz FZNXYKOYFWXPDR-UHFFFAOYSA-N 1 0 265.353 2.178 20 10 CECDRO CCOc1cccc(CN[C@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863484950 646740572 /nfs/dbraw/zinc/74/05/72/646740572.db2.gz QNNIHDOOAINSTN-AAEUAGOBSA-N 1 0 264.369 2.021 20 10 CECDRO C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2C)c2c1c(F)ccc2O ZINC000863546103 646753077 /nfs/dbraw/zinc/75/30/77/646753077.db2.gz DJSDIGRXLDDGIX-RBLKWDMZSA-N 1 0 264.344 2.420 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1 ZINC000773748598 646772047 /nfs/dbraw/zinc/77/20/47/646772047.db2.gz OWDXCBQZZHSFNU-MRXNPFEDSA-N 1 0 289.423 2.373 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)CCCC(=O)NC)cc1 ZINC000773791378 646775989 /nfs/dbraw/zinc/77/59/89/646775989.db2.gz KPMHZGSZCTWHCJ-UHFFFAOYSA-N 1 0 277.412 2.101 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)Cc2cn[nH]c2)cc1 ZINC000773785619 646776046 /nfs/dbraw/zinc/77/60/46/646776046.db2.gz MLMGITKDPWRJBQ-UHFFFAOYSA-N 1 0 258.369 2.498 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCCC3(C2)OCCO3)cc1 ZINC000773792671 646776205 /nfs/dbraw/zinc/77/62/05/646776205.db2.gz LMPUWGMOKKYZBJ-UHFFFAOYSA-N 1 0 290.407 2.482 20 10 CECDRO C[C@@H]1CC[C@@H](NC/C=C/c2ccc(N(C)C)cc2)C[NH2+]1 ZINC000863650590 646777257 /nfs/dbraw/zinc/77/72/57/646777257.db2.gz WASOWMFZVSCUTO-ATQQARJTSA-N 1 0 273.424 2.496 20 10 CECDRO CCN(C)c1ccc(C[NH2+][C@@H](CCO)C2CC2)cc1 ZINC000773834978 646779040 /nfs/dbraw/zinc/77/90/40/646779040.db2.gz CVAZPBXFAZGAPS-INIZCTEOSA-N 1 0 262.397 2.393 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)cc1 ZINC000773887134 646784768 /nfs/dbraw/zinc/78/47/68/646784768.db2.gz BJBAGRDBZWTGLL-CZUORRHYSA-N 1 0 262.397 2.345 20 10 CECDRO CC[C@H]([NH2+]CCOCCO)c1cc(Cl)ccc1O ZINC000775485536 646959218 /nfs/dbraw/zinc/95/92/18/646959218.db2.gz WAPKQNXGPCIBDW-LBPRGKRZSA-N 1 0 273.760 2.095 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](O)CN(C)C)c1cc(Cl)ccc1O ZINC000775501300 646960513 /nfs/dbraw/zinc/96/05/13/646960513.db2.gz GCMIVIQYMFUXGC-YPMHNXCESA-N 1 0 286.803 2.009 20 10 CECDRO CC[C@H]([NH2+]CCS(C)(=O)=O)c1cc(Cl)ccc1O ZINC000775496592 646960546 /nfs/dbraw/zinc/96/05/46/646960546.db2.gz JUAIRPSCFOXECO-NSHDSACASA-N 1 0 291.800 2.131 20 10 CECDRO CC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Cl)ccc1O ZINC000775555134 646964650 /nfs/dbraw/zinc/96/46/50/646964650.db2.gz JSIPDESVBVVJEE-HIFRSBDPSA-N 1 0 298.814 2.153 20 10 CECDRO COc1cc(O)c(C[N@H+](C[C@@H](C)O)C(C)C)cc1OC ZINC000775682355 646980283 /nfs/dbraw/zinc/98/02/83/646980283.db2.gz WNXTXIPAIISAIV-LLVKDONJSA-N 1 0 283.368 2.001 20 10 CECDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(OC)ccc2O)C[C@@H]1C ZINC000775711879 646983202 /nfs/dbraw/zinc/98/32/02/646983202.db2.gz JOPFFTROXUFGCX-QWHCGFSZSA-N 1 0 278.396 2.315 20 10 CECDRO Cc1cccc(C[N@@H+]2CCSC[C@@H]2CCO)c1O ZINC000775736934 646986109 /nfs/dbraw/zinc/98/61/09/646986109.db2.gz HBGBQQYOTVYQTP-ZDUSSCGKSA-N 1 0 267.394 2.000 20 10 CECDRO Cc1cc(Cl)cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1O ZINC000775746927 646986733 /nfs/dbraw/zinc/98/67/33/646986733.db2.gz HYKUJMKDPUQAFN-VXGBXAGGSA-N 1 0 266.772 2.005 20 10 CECDRO C[C@H]1C[C@H]1NC(=[NH2+])NCc1ccc(N2CCCC2)cc1 ZINC000864454734 647010086 /nfs/dbraw/zinc/01/00/86/647010086.db2.gz UBJMOPFMJIVIJS-SWLSCSKDSA-N 1 0 272.396 2.309 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@H]2OC)c(O)c1 ZINC000775979195 647012078 /nfs/dbraw/zinc/01/20/78/647012078.db2.gz RQKSQTJWRXBGJA-KBMXLJTQSA-N 1 0 295.379 2.073 20 10 CECDRO CC[C@@H]([NH2+]CCCn1cncn1)c1ccc(N(C)C)cc1 ZINC000776975378 647101101 /nfs/dbraw/zinc/10/11/01/647101101.db2.gz PYCUWVCCOPYMKX-MRXNPFEDSA-N 1 0 287.411 2.475 20 10 CECDRO CN(Cc1cc(F)ccc1O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000779009908 647282392 /nfs/dbraw/zinc/28/23/92/647282392.db2.gz GGPQZBZUOCHOBS-AWEZNQCLSA-N 1 0 264.344 2.200 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(F)ccc1O ZINC000779067756 647285496 /nfs/dbraw/zinc/28/54/96/647285496.db2.gz ZOEQBHSIFMLRNV-ZYHUDNBSSA-N 1 0 275.327 2.393 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2CCO)c1O ZINC000779203147 647297922 /nfs/dbraw/zinc/29/79/22/647297922.db2.gz ZSIJFNOIASWLRP-CYBMUJFWSA-N 1 0 265.353 2.138 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cn(C3CC3)cn2)c1 ZINC000865462754 647305389 /nfs/dbraw/zinc/30/53/89/647305389.db2.gz ACAQUUSIDOSSRC-UHFFFAOYSA-N 1 0 273.336 2.222 20 10 CECDRO Cc1cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)ccc1N(C)C ZINC000779414353 647320559 /nfs/dbraw/zinc/32/05/59/647320559.db2.gz XTCDKBXTMKXRIO-GJZGRUSLSA-N 1 0 262.397 2.310 20 10 CECDRO COC[C@H](C)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000783626938 647740032 /nfs/dbraw/zinc/74/00/32/647740032.db2.gz DCRRYFAUFOAWOD-GFCCVEGCSA-N 1 0 250.386 2.433 20 10 CECDRO COC[C@@H](C)CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000783668084 647746172 /nfs/dbraw/zinc/74/61/72/647746172.db2.gz KRYOYYRLBVXBRH-AWEZNQCLSA-N 1 0 280.412 2.346 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1O ZINC000785988845 647975468 /nfs/dbraw/zinc/97/54/68/647975468.db2.gz PLKQVJOIMRGUDQ-SCRDCRAPSA-N 1 0 279.380 2.382 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)CO)c1 ZINC000122028223 648055822 /nfs/dbraw/zinc/05/58/22/648055822.db2.gz VXXRHAIVICKJJS-SNVBAGLBSA-N 1 0 253.342 2.070 20 10 CECDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868217803 648074620 /nfs/dbraw/zinc/07/46/20/648074620.db2.gz YFVDKWFDSFCJHJ-CHWSQXEVSA-N 1 0 293.411 2.483 20 10 CECDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1c(O)cccc1Cl ZINC000787423984 648108469 /nfs/dbraw/zinc/10/84/69/648108469.db2.gz OPKQROCPRMGDAK-RULNRJAQSA-N 1 0 294.782 2.131 20 10 CECDRO C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1O ZINC000868367157 648109499 /nfs/dbraw/zinc/10/94/99/648109499.db2.gz GBXPGMGWTPCFKF-STQMWFEESA-N 1 0 291.395 2.094 20 10 CECDRO COC[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H]1CCCO1 ZINC000788535237 648200235 /nfs/dbraw/zinc/20/02/35/648200235.db2.gz LDYMXEWHRVILTE-GXTWGEPZSA-N 1 0 285.771 2.329 20 10 CECDRO CC[S@@](=O)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788590762 648204720 /nfs/dbraw/zinc/20/47/20/648204720.db2.gz GOOFDMAMBOOOLE-KZULUSFZSA-N 1 0 269.410 2.428 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCOC[C@@H]2C)c(O)c1 ZINC000788586604 648204921 /nfs/dbraw/zinc/20/49/21/648204921.db2.gz DQHDVJVOQPFDCE-GJZGRUSLSA-N 1 0 292.423 2.380 20 10 CECDRO CC[S@](=O)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000788590764 648204985 /nfs/dbraw/zinc/20/49/85/648204985.db2.gz GOOFDMAMBOOOLE-SGTLLEGYSA-N 1 0 269.410 2.428 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cnn(C)c2C)c1 ZINC000790937152 648461963 /nfs/dbraw/zinc/46/19/63/648461963.db2.gz KJYQCGTZZBUTSQ-UHFFFAOYSA-N 1 0 289.379 2.465 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000793245915 648728909 /nfs/dbraw/zinc/72/89/09/648728909.db2.gz DAWRMCQTXGWQQM-HNNXBMFYSA-N 1 0 265.353 2.138 20 10 CECDRO C[C@H](NC(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccccc1O ZINC000870988277 648971031 /nfs/dbraw/zinc/97/10/31/648971031.db2.gz LEGXVUSLORCYRP-LRDDRELGSA-N 1 0 296.370 2.456 20 10 CECDRO CCCOc1ccc(CNC[C@@](C)(O)C[NH+](C)C)cc1C ZINC000873094420 649557877 /nfs/dbraw/zinc/55/78/77/649557877.db2.gz IFORINOWPCEWQK-QGZVFWFLSA-N 1 0 294.439 2.186 20 10 CECDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1c(O)cccc1Cl ZINC000873160447 649575007 /nfs/dbraw/zinc/57/50/07/649575007.db2.gz CDUGNDRQQKLKQP-JTQLQIEISA-N 1 0 283.755 2.479 20 10 CECDRO C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)[NH+](C)C ZINC000874240005 649756216 /nfs/dbraw/zinc/75/62/16/649756216.db2.gz KTEAHUFELCISSJ-CQSZACIVSA-N 1 0 289.423 2.243 20 10 CECDRO C[C@@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccccc1O ZINC000879648844 651335207 /nfs/dbraw/zinc/33/52/07/651335207.db2.gz BWDLVGWWGNBMKN-LLVKDONJSA-N 1 0 272.352 2.245 20 10 CECDRO CC(C)OCC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879649325 651335435 /nfs/dbraw/zinc/33/54/35/651335435.db2.gz NESDVBVVCLJNJQ-OLZOCXBDSA-N 1 0 267.369 2.219 20 10 CECDRO Cc1nnc(C[NH2+][C@@H](C)c2ccccc2O)n1C1CC1 ZINC000879650561 651335559 /nfs/dbraw/zinc/33/55/59/651335559.db2.gz HHNIHFBKVJDNMM-JTQLQIEISA-N 1 0 272.352 2.478 20 10 CECDRO C[C@H]([NH2+]CCC(=O)NC1CCCC1)c1ccccc1O ZINC000879652365 651335965 /nfs/dbraw/zinc/33/59/65/651335965.db2.gz ZHFQKXCSKQITMN-LBPRGKRZSA-N 1 0 276.380 2.492 20 10 CECDRO [O-]c1c(Br)cccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000127988185 651347533 /nfs/dbraw/zinc/34/75/33/651347533.db2.gz LRZXUHHRIQUTRA-SNVBAGLBSA-N 1 0 286.169 2.111 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@](C)(CO)c2ccccc2)c1 ZINC000128583252 651490547 /nfs/dbraw/zinc/49/05/47/651490547.db2.gz RMILOLXSBZAKJY-QGZVFWFLSA-N 1 0 287.359 2.398 20 10 CECDRO CCC[C@H]([NH3+])c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272151 651657304 /nfs/dbraw/zinc/65/73/04/651657304.db2.gz ODQYKKCBXBFJHH-AWEZNQCLSA-N 1 0 273.384 2.192 20 10 CECDRO CCOc1cccc(CN(C)C[C@@H]2CCC[N@@H+]2C)c1O ZINC000211723288 651832257 /nfs/dbraw/zinc/83/22/57/651832257.db2.gz QVAQCALGBVVIKK-AWEZNQCLSA-N 1 0 278.396 2.317 20 10 CECDRO CC1(C)COCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000130878477 652350643 /nfs/dbraw/zinc/35/06/43/652350643.db2.gz SZFBLJWYZWDYIT-UHFFFAOYSA-N 1 0 290.407 2.134 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2CC)c1O ZINC000132346772 652514796 /nfs/dbraw/zinc/51/47/96/652514796.db2.gz RENUKPLDJDRUKI-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCOC[C@H]2CC)c1O ZINC000132346557 652514810 /nfs/dbraw/zinc/51/48/10/652514810.db2.gz RENUKPLDJDRUKI-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO COc1ccc(O)c(CN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000133594014 652671965 /nfs/dbraw/zinc/67/19/65/652671965.db2.gz MOFUVZBRNBESEK-UHFFFAOYSA-N 1 0 290.407 2.365 20 10 CECDRO Cc1c(CN2CC[C@@](C)([NH3+])C2)c2ccccc2n1C ZINC001204772018 805807852 /nfs/dbraw/zinc/80/78/52/805807852.db2.gz SMKRUTYRMWVVGB-MRXNPFEDSA-N 1 0 257.381 2.410 20 10 CECDRO Cc1c(CN2CC[C@](C)([NH3+])C2)c2ccccc2n1C ZINC001204771998 805808366 /nfs/dbraw/zinc/80/83/66/805808366.db2.gz SMKRUTYRMWVVGB-INIZCTEOSA-N 1 0 257.381 2.410 20 10 CECDRO C[NH2+]C1CN(Cc2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001204706368 806534739 /nfs/dbraw/zinc/53/47/39/806534739.db2.gz JWFFIGKJOMLFJM-UHFFFAOYSA-N 1 0 269.392 2.498 20 10 CECDRO Oc1cc(F)c(F)cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001142520757 806614441 /nfs/dbraw/zinc/61/44/41/806614441.db2.gz PIIMIILEGNQSAD-LBPRGKRZSA-N 1 0 282.334 2.341 20 10 CECDRO COCCCC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209220357 802487930 /nfs/dbraw/zinc/48/79/30/802487930.db2.gz ZRJLVDALOFXVDO-UHFFFAOYSA-N 1 0 265.353 2.273 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC001140056256 802548801 /nfs/dbraw/zinc/54/88/01/802548801.db2.gz OHVATKINRACXSV-LLVKDONJSA-N 1 0 281.327 2.306 20 10 CECDRO CC[N@H+](CCCC(=O)OC)Cc1cc(F)ccc1O ZINC001140057834 802549936 /nfs/dbraw/zinc/54/99/36/802549936.db2.gz PKBLZNGUZASHDP-UHFFFAOYSA-N 1 0 269.316 2.306 20 10 CECDRO C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1[O-])[NH+](C)C ZINC000703379320 809645220 /nfs/dbraw/zinc/64/52/20/809645220.db2.gz HZKBJPPGVVMHQE-VIFPVBQESA-N 1 0 258.312 2.100 20 10 CECDRO COC(C[N@H+](C)Cc1c(C)ccc(C)c1O)OC ZINC001140182365 802670472 /nfs/dbraw/zinc/67/04/72/802670472.db2.gz QRYCUFGZFNBELD-UHFFFAOYSA-N 1 0 253.342 2.060 20 10 CECDRO C[NH+]1CCN(c2ccc(CNc3cccnc3)cc2)CC1 ZINC001167431207 802806223 /nfs/dbraw/zinc/80/62/23/802806223.db2.gz MHAYUELEAJBPSW-UHFFFAOYSA-N 1 0 282.391 2.446 20 10 CECDRO CNC(=O)CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000398351640 802836545 /nfs/dbraw/zinc/83/65/45/802836545.db2.gz JWROKTNPLDPBEZ-NWDGAFQWSA-N 1 0 276.380 2.365 20 10 CECDRO C[N@@H+]1CCCN(Cc2c(O)cccc2Br)CC1 ZINC000707153814 802897660 /nfs/dbraw/zinc/89/76/60/802897660.db2.gz ADDLQCSTBKPMIX-UHFFFAOYSA-N 1 0 299.212 2.292 20 10 CECDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140623592 803247345 /nfs/dbraw/zinc/24/73/45/803247345.db2.gz XFLPYSCARHLOCR-TZMCWYRMSA-N 1 0 277.364 2.332 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1COCC[C@H]1OC)c1ccccc1O ZINC000724906990 803344173 /nfs/dbraw/zinc/34/41/73/803344173.db2.gz VSUWSLYTUGFRPD-UMVBOHGHSA-N 1 0 265.353 2.237 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CC23CC(O)C3)c1O ZINC000724975606 803377430 /nfs/dbraw/zinc/37/74/30/803377430.db2.gz OGDOGWFAMOBEBQ-KHJSKFAYSA-N 1 0 283.755 2.057 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCCOC(C)(C)C2)c1O ZINC001140746259 803513692 /nfs/dbraw/zinc/51/36/92/803513692.db2.gz XJZBWRAJNVHVSO-UHFFFAOYSA-N 1 0 265.353 2.407 20 10 CECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC001117779000 814947943 /nfs/dbraw/zinc/94/79/43/814947943.db2.gz CWQRAJSMMCSADS-RVMXOQNASA-N 1 0 288.391 2.493 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1O ZINC000690800025 803616943 /nfs/dbraw/zinc/61/69/43/803616943.db2.gz WORUMWIYSBTYKI-HUUCEWRRSA-N 1 0 261.365 2.423 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(C)=O)CC2)c1 ZINC000037138392 815026801 /nfs/dbraw/zinc/02/68/01/815026801.db2.gz IJBUBSVJLBAXDC-NSHDSACASA-N 1 0 292.379 2.062 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC001118808231 815046523 /nfs/dbraw/zinc/04/65/23/815046523.db2.gz PNERKTMYFIPHAD-DHMWGJHJSA-N 1 0 291.391 2.378 20 10 CECDRO C[NH+](C)C[C@@H]1CCCN1Cc1cc(Cl)c(O)cc1O ZINC001232267548 807239675 /nfs/dbraw/zinc/23/96/75/807239675.db2.gz IYOPPKJQZWVQTK-NSHDSACASA-N 1 0 284.787 2.277 20 10 CECDRO C[C@H]([NH2+]CCC(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000037228779 815113392 /nfs/dbraw/zinc/11/33/92/815113392.db2.gz MEWVJXURVNLGTO-AWEZNQCLSA-N 1 0 289.423 2.416 20 10 CECDRO CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037280105 815134677 /nfs/dbraw/zinc/13/46/77/815134677.db2.gz MHRTTXYDYOHOHE-QWHCGFSZSA-N 1 0 277.412 2.318 20 10 CECDRO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(F)cc1[O-] ZINC000716662810 815139476 /nfs/dbraw/zinc/13/94/76/815139476.db2.gz ROOKOUDWUJGRDA-GMSGAONNSA-N 1 0 263.259 2.198 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@H](O)C(F)F ZINC000716745090 815145522 /nfs/dbraw/zinc/14/55/22/815145522.db2.gz IROFUCQLKQBEFJ-JTQLQIEISA-N 1 0 265.687 2.151 20 10 CECDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC001272622534 807823160 /nfs/dbraw/zinc/82/31/60/807823160.db2.gz MZLARIZUMPOEFA-AWEZNQCLSA-N 1 0 288.391 2.049 20 10 CECDRO CC(C)(C)c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236293669 808050948 /nfs/dbraw/zinc/05/09/48/808050948.db2.gz OPIXDSDYJJVAPG-OCCSQVGLSA-N 1 0 260.381 2.093 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC2(CCOC2=O)CC1 ZINC001237489698 808221065 /nfs/dbraw/zinc/22/10/65/808221065.db2.gz DDWNMUSIJGIJPL-UHFFFAOYSA-N 1 0 275.348 2.230 20 10 CECDRO Cc1cc(F)cc(C[NH+]2CCC(C)(O)CC2)c1O ZINC001238056178 808291697 /nfs/dbraw/zinc/29/16/97/808291697.db2.gz FDWKXYXRHSCIFM-UHFFFAOYSA-N 1 0 253.317 2.187 20 10 CECDRO CC1(C)C[NH2+]C[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC001120371551 815217587 /nfs/dbraw/zinc/21/75/87/815217587.db2.gz IWIGOVFHAQQAQF-INIZCTEOSA-N 1 0 273.424 2.374 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccnc2N)c1 ZINC001168712069 809066906 /nfs/dbraw/zinc/06/69/06/809066906.db2.gz HYAHPPGFAKAJCP-SNVBAGLBSA-N 1 0 273.336 2.229 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2N)c1 ZINC001168712068 809067777 /nfs/dbraw/zinc/06/77/77/809067777.db2.gz HYAHPPGFAKAJCP-JTQLQIEISA-N 1 0 273.336 2.229 20 10 CECDRO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C3CC3)C(=O)C2)c(O)c1 ZINC001172013015 815264381 /nfs/dbraw/zinc/26/43/81/815264381.db2.gz ODXJSVXVPDOHPN-CYBMUJFWSA-N 1 0 288.391 2.252 20 10 CECDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000922588888 809167337 /nfs/dbraw/zinc/16/73/37/809167337.db2.gz DHGPMIPKXHTSRU-MRXNPFEDSA-N 1 0 292.423 2.204 20 10 CECDRO Cc1cc(C[N@@H+]2CCNC(=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000125203023 809185137 /nfs/dbraw/zinc/18/51/37/809185137.db2.gz VNINJENAULEOAV-UHFFFAOYSA-N 1 0 290.407 2.320 20 10 CECDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000701015869 809379609 /nfs/dbraw/zinc/37/96/09/809379609.db2.gz SCZRKDKGCQIXEU-DTWKUNHWSA-N 1 0 288.185 2.404 20 10 CECDRO C[C@@H](Nc1nccnc1C[NH3+])c1ccc(N(C)C)cc1 ZINC001120919258 815295603 /nfs/dbraw/zinc/29/56/03/815295603.db2.gz QGRDHRDYFPEVON-LLVKDONJSA-N 1 0 271.368 2.174 20 10 CECDRO CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703308112 809641635 /nfs/dbraw/zinc/64/16/35/809641635.db2.gz MTQAIBNSUHSCDC-JTQLQIEISA-N 1 0 270.323 2.102 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccccc1O ZINC000704340974 809730365 /nfs/dbraw/zinc/73/03/65/809730365.db2.gz OBJGAYDPIOWPRV-CHWSQXEVSA-N 1 0 262.353 2.054 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1O ZINC001172158004 815323670 /nfs/dbraw/zinc/32/36/70/815323670.db2.gz BIDDXRQBMDGASI-JHJVBQTASA-N 1 0 274.364 2.196 20 10 CECDRO COc1cccc(CN2CCCCC[C@H]([NH3+])C2)c1O ZINC000709011794 809939852 /nfs/dbraw/zinc/93/98/52/809939852.db2.gz LLTFUGIKTWQLSW-ZDUSSCGKSA-N 1 0 264.369 2.104 20 10 CECDRO CCOc1cccc(CN2CCCCC[C@H]([NH3+])C2)c1O ZINC000708995415 809940179 /nfs/dbraw/zinc/94/01/79/809940179.db2.gz DZNKWHJCTFVMSB-AWEZNQCLSA-N 1 0 278.396 2.494 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](C(C)C)C2)c1 ZINC000709028856 809941118 /nfs/dbraw/zinc/94/11/18/809941118.db2.gz RFWHKJFJOPEEKS-OAHLLOKOSA-N 1 0 265.353 2.258 20 10 CECDRO O=C(NCCCSc1nccs1)C12CCC(CC1)[NH2+]2 ZINC001121955766 815371183 /nfs/dbraw/zinc/37/11/83/815371183.db2.gz ZKOXJPGEBNRBOC-UHFFFAOYSA-N 1 0 297.449 2.026 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)[C@@H]2CCCCO2)c1O ZINC000379238199 810689254 /nfs/dbraw/zinc/68/92/54/810689254.db2.gz UPQMCZCBJOEORJ-YPMHNXCESA-N 1 0 265.353 2.448 20 10 CECDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCCN(C(C)=O)C1 ZINC001169623918 811594897 /nfs/dbraw/zinc/59/48/97/811594897.db2.gz IMADGWMHYNBDDM-OAHLLOKOSA-N 1 0 276.380 2.225 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001172624564 815486122 /nfs/dbraw/zinc/48/61/22/815486122.db2.gz SFWICYQNUZFTLY-ZIAGYGMSSA-N 1 0 289.375 2.482 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)C(OC)OC)c1O ZINC000691491562 811957554 /nfs/dbraw/zinc/95/75/54/811957554.db2.gz DFXSBMOKIIEGCI-JTQLQIEISA-N 1 0 253.342 2.052 20 10 CECDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001172917389 815544660 /nfs/dbraw/zinc/54/46/60/815544660.db2.gz FZVLUVMTZQSHOB-YPMHNXCESA-N 1 0 251.326 2.145 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@@](C)(C[NH3+])C2)c1O ZINC000388370373 813237410 /nfs/dbraw/zinc/23/74/10/813237410.db2.gz KPVWDMYWJKDANJ-AWEZNQCLSA-N 1 0 284.787 2.225 20 10 CECDRO Cc1ccc(C)n1-c1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC001170780276 813343950 /nfs/dbraw/zinc/34/39/50/813343950.db2.gz LXGDFLSUWVYAQF-RHSMWYFYSA-N 1 0 285.391 2.086 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@]2(C)CCOC2)c1 ZINC000397117932 813601597 /nfs/dbraw/zinc/60/15/97/813601597.db2.gz JYCGYJHRZLWNEQ-NHYWBVRUSA-N 1 0 265.353 2.478 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CSC[C@H]2C)c(O)c1 ZINC000397913096 813644902 /nfs/dbraw/zinc/64/49/02/813644902.db2.gz ZEJUJFLNBOYMCW-SKDRFNHKSA-N 1 0 253.367 2.242 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC[C@H](C)O2)c1 ZINC000398118637 813657587 /nfs/dbraw/zinc/65/75/87/813657587.db2.gz ADXOPCLWVNDLCV-GXFFZTMASA-N 1 0 251.326 2.058 20 10 CECDRO C[C@H](CCNCc1c(O)cccc1Cl)[NH+](C)C ZINC000697838343 814652808 /nfs/dbraw/zinc/65/28/08/814652808.db2.gz PXZVTRBFVOXTSS-SNVBAGLBSA-N 1 0 256.777 2.475 20 10 CECDRO C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CC[C@@]1(C)O ZINC001138123806 815731404 /nfs/dbraw/zinc/73/14/04/815731404.db2.gz MTEUBPAKYDLYDT-IINYFYTJSA-N 1 0 253.317 2.124 20 10 CECDRO CC[N@@H+]1CCN(Cc2cccc(F)c2O)C(C)(C)C1 ZINC001138130519 815735928 /nfs/dbraw/zinc/73/59/28/815735928.db2.gz BQYZSXAVAADGOW-UHFFFAOYSA-N 1 0 266.360 2.447 20 10 CECDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001173635470 815774016 /nfs/dbraw/zinc/77/40/16/815774016.db2.gz DLYRWUXEPRRFGE-YPMHNXCESA-N 1 0 293.363 2.309 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2CO)c(OC)c1 ZINC001138386896 815786589 /nfs/dbraw/zinc/78/65/89/815786589.db2.gz ZLVHCSVRGGCJSH-INIZCTEOSA-N 1 0 292.423 2.498 20 10 CECDRO Cc1cc(C[N@@H+]2CCOC3(CC3)C2)ccc1N(C)C ZINC001139673185 816076192 /nfs/dbraw/zinc/07/61/92/816076192.db2.gz BSNLBKMQHGCXSX-UHFFFAOYSA-N 1 0 260.381 2.426 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCC[C@@H]1O ZINC001140057419 816179803 /nfs/dbraw/zinc/17/98/03/816179803.db2.gz GXOKWZWMUQSGNP-MFKMUULPSA-N 1 0 253.317 2.124 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)c1O ZINC001140182694 816205539 /nfs/dbraw/zinc/20/55/39/816205539.db2.gz XMDMYNBCECBFFV-INIZCTEOSA-N 1 0 290.363 2.083 20 10 CECDRO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001140338069 816237246 /nfs/dbraw/zinc/23/72/46/816237246.db2.gz TVQIJORBLITGFS-WCQYABFASA-N 1 0 273.735 2.340 20 10 CECDRO CC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464454 816260049 /nfs/dbraw/zinc/26/00/49/816260049.db2.gz QQZHGPWSDDTHHD-JTQLQIEISA-N 1 0 253.729 2.457 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461820 816260464 /nfs/dbraw/zinc/26/04/64/816260464.db2.gz UOZFIQOLUDZWEM-LLVKDONJSA-N 1 0 283.755 2.431 20 10 CECDRO Oc1cc(Cl)ccc1CN1CC([NH+]2CCCC2)C1 ZINC001140467559 816262371 /nfs/dbraw/zinc/26/23/71/816262371.db2.gz XONCKZXDYBEROX-UHFFFAOYSA-N 1 0 266.772 2.326 20 10 CECDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140465694 816262903 /nfs/dbraw/zinc/26/29/03/816262903.db2.gz RMSKFKXUFRHUGN-UHFFFAOYSA-N 1 0 296.798 2.488 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c1 ZINC001140620448 816306011 /nfs/dbraw/zinc/30/60/11/816306011.db2.gz OPUWDBQUVSYRCP-KRWDZBQOSA-N 1 0 288.391 2.335 20 10 CECDRO CC[NH+](CC)C[C@@H]1CN(Cc2cc(C)ccc2O)CCO1 ZINC001140624365 816307708 /nfs/dbraw/zinc/30/77/08/816307708.db2.gz SYMPPOQPPOGWBR-MRXNPFEDSA-N 1 0 292.423 2.243 20 10 CECDRO COC1(C)CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140742037 816337018 /nfs/dbraw/zinc/33/70/18/816337018.db2.gz HVQCBBZMRQXERR-UHFFFAOYSA-N 1 0 265.353 2.407 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001140850979 816383484 /nfs/dbraw/zinc/38/34/84/816383484.db2.gz XMSVDNFYMWVELY-BBRMVZONSA-N 1 0 292.423 2.441 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCOC2)c(O)c1 ZINC001140855368 816383892 /nfs/dbraw/zinc/38/38/92/816383892.db2.gz WNLSBURJMPMMHR-OAHLLOKOSA-N 1 0 278.396 2.459 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c(O)c1 ZINC001140957606 816426484 /nfs/dbraw/zinc/42/64/84/816426484.db2.gz DUTRDASOYFYXFS-INIZCTEOSA-N 1 0 275.348 2.372 20 10 CECDRO Cc1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c(O)c1 ZINC001140957701 816426707 /nfs/dbraw/zinc/42/67/07/816426707.db2.gz KFAGSJGCXJZVAK-ZDUSSCGKSA-N 1 0 282.334 2.226 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@]23CCOC3)c(OC)c1 ZINC001141029345 816450427 /nfs/dbraw/zinc/45/04/27/816450427.db2.gz QQPMQEORQPLDRM-MRXNPFEDSA-N 1 0 293.363 2.164 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCO3)C2)c(OC)c1 ZINC001141028963 816450734 /nfs/dbraw/zinc/45/07/34/816450734.db2.gz FNTXNVMYXFMCKA-MRXNPFEDSA-N 1 0 293.363 2.164 20 10 CECDRO C[NH+](C)C1CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074588 816470076 /nfs/dbraw/zinc/47/00/76/816470076.db2.gz NEJYQFHONRWMKL-UHFFFAOYSA-N 1 0 285.435 2.131 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CCC[C@@H]1O ZINC001141139770 816484194 /nfs/dbraw/zinc/48/41/94/816484194.db2.gz BGCFNZOZTNVBRN-BBRMVZONSA-N 1 0 290.407 2.108 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3C[C@@H]4C[C@H]3C[C@@H]4F)ccc21 ZINC001141144608 816485571 /nfs/dbraw/zinc/48/55/71/816485571.db2.gz IHRVZUFXLGHNML-IHRRRGAJSA-N 1 0 276.355 2.448 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H](CO)CC3)ccc21 ZINC001141140842 816485649 /nfs/dbraw/zinc/48/56/49/816485649.db2.gz PPQIYKYZFQMJFM-CQSZACIVSA-N 1 0 290.407 2.110 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@H]3CF)ccc21 ZINC001141146283 816486719 /nfs/dbraw/zinc/48/67/19/816486719.db2.gz QUYVKYKBODQTBI-CYBMUJFWSA-N 1 0 264.344 2.449 20 10 CECDRO C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(O)ccc1O ZINC001141155886 816488731 /nfs/dbraw/zinc/48/87/31/816488731.db2.gz NNBMKXUOSPEBJQ-UHFFFAOYSA-N 1 0 296.367 2.054 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CCOc3ccccc3C2)c1 ZINC001141158891 816489670 /nfs/dbraw/zinc/48/96/70/816489670.db2.gz QIASCQJAVFEUSN-UHFFFAOYSA-N 1 0 271.316 2.492 20 10 CECDRO CC1(C)C[N@H+](Cc2cc(O)ccc2O)[C@@](C)(CO)C1 ZINC001141156504 816490304 /nfs/dbraw/zinc/49/03/04/816490304.db2.gz MHAIGOISIQOXAY-OAHLLOKOSA-N 1 0 265.353 2.081 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC001141160276 816491519 /nfs/dbraw/zinc/49/15/19/816491519.db2.gz VITNUZWTDDSRSD-CYBMUJFWSA-N 1 0 270.332 2.482 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001141161496 816492484 /nfs/dbraw/zinc/49/24/84/816492484.db2.gz SBCHAFLRLKAAHF-UHFFFAOYSA-N 1 0 271.316 2.362 20 10 CECDRO CC(C)[N@@H+]1CCN(Cc2cc(O)ccc2O)C[C@@H]1C ZINC001141163158 816493232 /nfs/dbraw/zinc/49/32/32/816493232.db2.gz SFTFLJLLWMTMME-LBPRGKRZSA-N 1 0 264.369 2.012 20 10 CECDRO Cn1nc(Br)cc1C[NH2+]Cc1ccccc1O ZINC000691592976 816652916 /nfs/dbraw/zinc/65/29/16/816652916.db2.gz QBWJCUGDQXPCIV-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO Oc1cc(F)c(F)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001142525003 816681001 /nfs/dbraw/zinc/68/10/01/816681001.db2.gz SQYQEEAAEJUDEO-GFCCVEGCSA-N 1 0 282.334 2.341 20 10 CECDRO COC(=O)C1C[NH+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143103956 816785699 /nfs/dbraw/zinc/78/56/99/816785699.db2.gz NNKASFQNUIMATP-UHFFFAOYSA-N 1 0 277.364 2.295 20 10 CECDRO CC[C@H](O)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000124387278 365651829 /nfs/dbraw/zinc/65/18/29/365651829.db2.gz HVEJLXGNMPRSQI-HNNXBMFYSA-N 1 0 250.386 2.393 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C(C1CC1)C1CC1)OCO2 ZINC000042879470 362127571 /nfs/dbraw/zinc/12/75/71/362127571.db2.gz XVYJUVVHJXLMJN-UHFFFAOYSA-N 1 0 261.321 2.399 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CCC([C@@H](C)O)CC2)c1 ZINC000092970726 344209051 /nfs/dbraw/zinc/20/90/51/344209051.db2.gz BVTPPLOHSJYWIY-GFCCVEGCSA-N 1 0 279.380 2.384 20 10 CECDRO COc1cccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)c1O ZINC000093837349 344230808 /nfs/dbraw/zinc/23/08/08/344230808.db2.gz LWZOBIXVANCSPE-ZDUSSCGKSA-N 1 0 267.369 2.240 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237082751 370688997 /nfs/dbraw/zinc/68/89/97/370688997.db2.gz MLVBSJCFGWPAEK-QGZVFWFLSA-N 1 0 297.402 2.459 20 10 CECDRO COCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551035 361583535 /nfs/dbraw/zinc/58/35/35/361583535.db2.gz OHRMMYACKIEWNK-CYBMUJFWSA-N 1 0 296.386 2.349 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)CCNC(=O)C(C)C)cc1C ZINC000092103966 364075286 /nfs/dbraw/zinc/07/52/86/364075286.db2.gz NFILRFRSRTWXRU-UHFFFAOYSA-N 1 0 278.396 2.213 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)OC)C2)c1O ZINC000092643772 364091855 /nfs/dbraw/zinc/09/18/55/364091855.db2.gz INDOBGCWFYEGBS-ZDUSSCGKSA-N 1 0 293.363 2.176 20 10 CECDRO Nc1ccc(CC(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000238112937 370771651 /nfs/dbraw/zinc/77/16/51/370771651.db2.gz KSJIVONSZVLORB-UHFFFAOYSA-N 1 0 289.423 2.240 20 10 CECDRO COc1ccnc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000111235370 364724241 /nfs/dbraw/zinc/72/42/41/364724241.db2.gz LSPVHMRHCIHSTJ-UHFFFAOYSA-N 1 0 258.321 2.428 20 10 CECDRO CC(C)C[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000113924300 364918632 /nfs/dbraw/zinc/91/86/32/364918632.db2.gz FIKMXSUPCWRFES-ZDUSSCGKSA-N 1 0 293.363 2.368 20 10 CECDRO Cc1cccc(CN2CC[NH+](CC3CC3)CC2)c1O ZINC000179753919 368350725 /nfs/dbraw/zinc/35/07/25/368350725.db2.gz SCWFSZVFGULRGA-UHFFFAOYSA-N 1 0 260.381 2.228 20 10 CECDRO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccccc1O ZINC000179888264 368356186 /nfs/dbraw/zinc/35/61/86/368356186.db2.gz UQXQFSRBVAZHAM-STQMWFEESA-N 1 0 265.353 2.238 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1C ZINC000246303796 370943266 /nfs/dbraw/zinc/94/32/66/370943266.db2.gz VOVXDVVKZDKCGS-SJORKVTESA-N 1 0 291.391 2.389 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375747 368799996 /nfs/dbraw/zinc/79/99/96/368799996.db2.gz XOCRHWQWKABQPJ-RRFJBIMHSA-N 1 0 292.423 2.460 20 10 CECDRO OCC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccco1 ZINC000187528272 369172514 /nfs/dbraw/zinc/17/25/14/369172514.db2.gz UFTYXENGSRJBPU-GFCCVEGCSA-N 1 0 265.284 2.338 20 10 CECDRO COc1ccc(C[NH2+]CCN2CCSCC2)cc1C ZINC000226246272 370331329 /nfs/dbraw/zinc/33/13/29/370331329.db2.gz NFCFCHDTPZZUOQ-UHFFFAOYSA-N 1 0 280.437 2.142 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCCOCC1CC1 ZINC000226583325 370347262 /nfs/dbraw/zinc/34/72/62/370347262.db2.gz YWJPUKWWTGGKQT-UHFFFAOYSA-N 1 0 253.317 2.438 20 10 CECDRO CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268893819 372277085 /nfs/dbraw/zinc/27/70/85/372277085.db2.gz OOGGHFAPMSDMHX-YOEHRIQHSA-N 1 0 292.423 2.335 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000270547470 372837197 /nfs/dbraw/zinc/83/71/97/372837197.db2.gz LFTWNYQDCWDPLK-LBPRGKRZSA-N 1 0 293.285 2.194 20 10 CECDRO CC[N@H+](CCOC)Cc1ccc(N(C)C)c(F)c1 ZINC000271058501 373096163 /nfs/dbraw/zinc/09/61/63/373096163.db2.gz VNQCICSBUIUPNL-UHFFFAOYSA-N 1 0 254.349 2.360 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](COC)C2)c1 ZINC000271158770 373151589 /nfs/dbraw/zinc/15/15/89/373151589.db2.gz DXWBQIVQGOHFIL-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@]23CCOC3)c1O ZINC000367048344 373134101 /nfs/dbraw/zinc/13/41/01/373134101.db2.gz UDFIUZFAPCPMAT-OAHLLOKOSA-N 1 0 263.337 2.156 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000367309337 373147600 /nfs/dbraw/zinc/14/76/00/373147600.db2.gz VNAGVJYWWAQIGP-KWCYVHTRSA-N 1 0 290.363 2.274 20 10 CECDRO COc1cccc(C[N@@H+]2CCOCC3(CCC3)C2)c1O ZINC000368100977 373219747 /nfs/dbraw/zinc/21/97/47/373219747.db2.gz XBYLFCAJCCNMSJ-UHFFFAOYSA-N 1 0 277.364 2.403 20 10 CECDRO Cc1cnc(N2CC[NH+](Cc3ccccc3O)CC2)s1 ZINC000271247211 373185355 /nfs/dbraw/zinc/18/53/55/373185355.db2.gz CTBXYVFRPOELAH-UHFFFAOYSA-N 1 0 289.404 2.479 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1O ZINC000271785499 373201399 /nfs/dbraw/zinc/20/13/99/373201399.db2.gz IFFDGPKKIWVVGO-GFCCVEGCSA-N 1 0 282.771 2.017 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000271785500 373201715 /nfs/dbraw/zinc/20/17/15/373201715.db2.gz IFFDGPKKIWVVGO-LBPRGKRZSA-N 1 0 282.771 2.017 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](O)C(F)(F)F ZINC000271876159 373204372 /nfs/dbraw/zinc/20/43/72/373204372.db2.gz ZLKYJIRESIGLRT-ZYHUDNBSSA-N 1 0 293.285 2.192 20 10 CECDRO Oc1c(F)cccc1CN1CC[NH+](CC2CC2)CC1 ZINC000272218895 373367951 /nfs/dbraw/zinc/36/79/51/373367951.db2.gz BOVADJWKAGSKJW-UHFFFAOYSA-N 1 0 264.344 2.059 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000272267699 373396710 /nfs/dbraw/zinc/39/67/10/373396710.db2.gz BHWSAPQRFQTZKG-DOTOQJQBSA-N 1 0 273.424 2.279 20 10 CECDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000272482511 373508914 /nfs/dbraw/zinc/50/89/14/373508914.db2.gz RXHQHFQQUCTTET-HNNXBMFYSA-N 1 0 281.375 2.025 20 10 CECDRO COc1cccc(C[NH+]2CCC(CCCO)CC2)c1O ZINC000272822965 373669828 /nfs/dbraw/zinc/66/98/28/373669828.db2.gz CQIHUNDCTXWOOU-UHFFFAOYSA-N 1 0 279.380 2.385 20 10 CECDRO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccccc1O ZINC000272931971 373719931 /nfs/dbraw/zinc/71/99/31/373719931.db2.gz ZQRYRUNWPUVEKW-WFASDCNBSA-N 1 0 280.437 2.480 20 10 CECDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000273076498 373746102 /nfs/dbraw/zinc/74/61/02/373746102.db2.gz PPSPDNFXPXACHD-NEPJUHHUSA-N 1 0 293.363 2.416 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2(CO)CCOCC2)c(O)c1C ZINC000273447786 373758081 /nfs/dbraw/zinc/75/80/81/373758081.db2.gz FLNIGMDDPVCETR-AWEZNQCLSA-N 1 0 293.407 2.449 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C(N)=O)c(O)c1C ZINC000273477858 373759772 /nfs/dbraw/zinc/75/97/72/373759772.db2.gz LHJGMRGMVQXSCB-NSHDSACASA-N 1 0 264.369 2.171 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Cl)ccc1O ZINC000273480124 373760286 /nfs/dbraw/zinc/76/02/86/373760286.db2.gz LWPRGSSUKXYJCD-BONVTDFDSA-N 1 0 299.798 2.484 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2O)CC1(C)C ZINC000371458594 373888695 /nfs/dbraw/zinc/88/86/95/373888695.db2.gz LGFLJOZOKJWHEL-LBPRGKRZSA-N 1 0 293.363 2.032 20 10 CECDRO Oc1cccc(Cl)c1CN1CCO[C@]2(CCOC2)C1 ZINC000274416726 373913769 /nfs/dbraw/zinc/91/37/69/373913769.db2.gz KHIAVCIXDUVKGN-CQSZACIVSA-N 1 0 283.755 2.037 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274417200 373915791 /nfs/dbraw/zinc/91/57/91/373915791.db2.gz NMEJLFWKUWVPAO-UHFFFAOYSA-N 1 0 293.367 2.166 20 10 CECDRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(F)ccc1O ZINC000282191897 375425199 /nfs/dbraw/zinc/42/51/99/375425199.db2.gz GGPDPOONOBVHNC-YYSFKGJASA-N 1 0 271.357 2.093 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1 ZINC000282212434 375429638 /nfs/dbraw/zinc/42/96/38/375429638.db2.gz DKSDBHDODHECIM-GOSISDBHSA-N 1 0 299.370 2.461 20 10 CECDRO COC(=O)[C@]1(C)C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000282442164 375484793 /nfs/dbraw/zinc/48/47/93/375484793.db2.gz DWHXZNGJUCIAIS-CXAGYDPISA-N 1 0 290.407 2.384 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCNC(=O)C(C)C)c(O)c1 ZINC000285065108 375834838 /nfs/dbraw/zinc/83/48/38/375834838.db2.gz JAKZGVQRAMKWPX-ZDUSSCGKSA-N 1 0 278.396 2.432 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)c(O)c1 ZINC000285366503 375838295 /nfs/dbraw/zinc/83/82/95/375838295.db2.gz VUMKVGLTAOAZOP-RYUDHWBXSA-N 1 0 282.359 2.134 20 10 CECDRO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccccc1O ZINC000285859261 375844343 /nfs/dbraw/zinc/84/43/43/375844343.db2.gz ZNQMWWXGZGIOPA-LBPRGKRZSA-N 1 0 297.420 2.400 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC2(O)CCOCC2)c1 ZINC000287605281 376273743 /nfs/dbraw/zinc/27/37/43/376273743.db2.gz SEUWFJVSDZIKDP-ZDUSSCGKSA-N 1 0 279.380 2.283 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1 ZINC000289195512 376389133 /nfs/dbraw/zinc/38/91/33/376389133.db2.gz AZXKMAQSBZEMEN-RYUDHWBXSA-N 1 0 265.353 2.163 20 10 CECDRO OCCC1([NH2+]Cc2cc(F)ccc2O)CCCC1 ZINC000289329721 376391337 /nfs/dbraw/zinc/39/13/37/376391337.db2.gz GOIJCRLAXOJIEL-UHFFFAOYSA-N 1 0 253.317 2.316 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2CF)cc1OC ZINC000293845361 377785023 /nfs/dbraw/zinc/78/50/23/377785023.db2.gz BGKJUMQRIINEKV-NSHDSACASA-N 1 0 269.316 2.343 20 10 CECDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000294668623 378006635 /nfs/dbraw/zinc/00/66/35/378006635.db2.gz APZIWTISOBFKPO-ZDUSSCGKSA-N 1 0 250.386 2.251 20 10 CECDRO Cc1cc(CN2CCC[C@@]23CCOC3=O)ccc1N(C)C ZINC000294523967 377994669 /nfs/dbraw/zinc/99/46/69/377994669.db2.gz JHMKHCXDUSOBSF-KRWDZBQOSA-N 1 0 288.391 2.343 20 10 CECDRO COCCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294633340 378001725 /nfs/dbraw/zinc/00/17/25/378001725.db2.gz PJXFEJQXUTWLPT-INIZCTEOSA-N 1 0 292.423 2.298 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000294943689 378030842 /nfs/dbraw/zinc/03/08/42/378030842.db2.gz YCCAOWNEHBUSRQ-CYBMUJFWSA-N 1 0 251.326 2.058 20 10 CECDRO CN(C)C(=O)C1([NH2+]Cc2ccccc2O)CCCCC1 ZINC000294976374 378033132 /nfs/dbraw/zinc/03/31/32/378033132.db2.gz JLBATEXHJFRJFO-UHFFFAOYSA-N 1 0 276.380 2.273 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@H](O)C(F)F ZINC000295071647 378038185 /nfs/dbraw/zinc/03/81/85/378038185.db2.gz PIEZKJMGJPLFAW-AAEUAGOBSA-N 1 0 273.323 2.498 20 10 CECDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)[C@H](O)C(F)F ZINC000295128604 378043711 /nfs/dbraw/zinc/04/37/11/378043711.db2.gz XROMJWSRHATHKA-PWSUYJOCSA-N 1 0 259.296 2.195 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCOC2(C)C)c1O ZINC000295151561 378044509 /nfs/dbraw/zinc/04/45/09/378044509.db2.gz DEKXGZCUHGXBAV-CYBMUJFWSA-N 1 0 281.327 2.391 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)CC(C)(C)O)c1 ZINC000295138054 378044920 /nfs/dbraw/zinc/04/49/20/378044920.db2.gz ZBSIGHAPTSRBBK-SNVBAGLBSA-N 1 0 253.342 2.040 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000295185392 378047942 /nfs/dbraw/zinc/04/79/42/378047942.db2.gz WNSMGBIZHQOXMW-HNNXBMFYSA-N 1 0 293.313 2.364 20 10 CECDRO COC1CCN(c2ccc(C[N@H+](C)[C@H](C)CO)cc2)CC1 ZINC000295391940 378134782 /nfs/dbraw/zinc/13/47/82/378134782.db2.gz QYZWLCWQKPHDBE-CQSZACIVSA-N 1 0 292.423 2.114 20 10 CECDRO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H]1CO ZINC000295521222 378195306 /nfs/dbraw/zinc/19/53/06/378195306.db2.gz ZXNCJOYLRDQRKX-VIFPVBQESA-N 1 0 259.708 2.141 20 10 CECDRO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000295874219 378339096 /nfs/dbraw/zinc/33/90/96/378339096.db2.gz GMBYVQRSUZESHF-HONMWMINSA-N 1 0 261.365 2.445 20 10 CECDRO CCn1ccnc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296452876 378537762 /nfs/dbraw/zinc/53/77/62/378537762.db2.gz MVXNVKILYRJTJG-GFCCVEGCSA-N 1 0 257.337 2.386 20 10 CECDRO C[C@](O)(C[NH2+][C@H]1CCc2cccc(O)c21)C(F)(F)F ZINC000296964111 378660525 /nfs/dbraw/zinc/66/05/25/378660525.db2.gz RFYNVYBQGPFQQR-CABZTGNLSA-N 1 0 275.270 2.282 20 10 CECDRO COCc1cc(CN(C)Cc2ccccc2O)no1 ZINC000297890208 378690998 /nfs/dbraw/zinc/69/09/98/378690998.db2.gz QYJUZUKHPZMABJ-UHFFFAOYSA-N 1 0 262.309 2.159 20 10 CECDRO Oc1cccc(Cl)c1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530179322 380195934 /nfs/dbraw/zinc/19/59/34/380195934.db2.gz SURKQHMVYHOVJO-CYBMUJFWSA-N 1 0 266.772 2.420 20 10 CECDRO CCOc1ccc(CN[C@@H]2CC[NH2+]C23CCC3)c(O)c1 ZINC000530176608 380196186 /nfs/dbraw/zinc/19/61/86/380196186.db2.gz CPXTYNYPOFVBRU-OAHLLOKOSA-N 1 0 276.380 2.165 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1O ZINC000217680063 394455497 /nfs/dbraw/zinc/45/54/97/394455497.db2.gz APYQPDQAFWCJKL-KGLIPLIRSA-N 1 0 276.380 2.117 20 10 CECDRO CCN(C)CC[NH2+]Cc1cc(Br)ccc1O ZINC000227440945 394472335 /nfs/dbraw/zinc/47/23/35/394472335.db2.gz XBVNZIOJSPAQRZ-UHFFFAOYSA-N 1 0 287.201 2.196 20 10 CECDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)N(C)C1CC1 ZINC000105487959 394721818 /nfs/dbraw/zinc/72/18/18/394721818.db2.gz OTBOHINJSBLWEF-GFCCVEGCSA-N 1 0 260.381 2.194 20 10 CECDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccccc1O ZINC000105433516 394721865 /nfs/dbraw/zinc/72/18/65/394721865.db2.gz JZUHSYNGNMXXGQ-UHFFFAOYSA-N 1 0 280.368 2.397 20 10 CECDRO COc1cccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c1O ZINC000282395560 394918762 /nfs/dbraw/zinc/91/87/62/394918762.db2.gz RJHXGEFLWXVUKS-AAEUAGOBSA-N 1 0 265.353 2.400 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000134493438 394957988 /nfs/dbraw/zinc/95/79/88/394957988.db2.gz BDDOORPNGVQSJL-NSHDSACASA-N 1 0 294.395 2.184 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2Cn2ccnn2)cc1 ZINC000373918966 395067893 /nfs/dbraw/zinc/06/78/93/395067893.db2.gz TYMAUFYXMFLILW-KRWDZBQOSA-N 1 0 299.422 2.399 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H]1O ZINC000293698153 395248294 /nfs/dbraw/zinc/24/82/94/395248294.db2.gz CMOGHEJFSZYMMF-ZBFHGGJFSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1 ZINC000035628755 172308071 /nfs/dbraw/zinc/30/80/71/172308071.db2.gz AAZGADVOPWPRPZ-CQSZACIVSA-N 1 0 292.423 2.462 20 10 CECDRO COc1ccc2c(c1)CCN2C(=O)c1ccccc1CC[NH3+] ZINC000653082093 414899721 /nfs/dbraw/zinc/89/97/21/414899721.db2.gz IYGMUBPJLABOOL-UHFFFAOYSA-N 1 0 296.370 2.399 20 10 CECDRO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)CC(C)C ZINC000153753410 261082908 /nfs/dbraw/zinc/08/29/08/261082908.db2.gz LXJYDZRTLVRSLN-UHFFFAOYSA-N 1 0 291.439 2.347 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccccc1O ZINC000155587157 261103908 /nfs/dbraw/zinc/10/39/08/261103908.db2.gz VHMMPXHOLIFALG-TZMCWYRMSA-N 1 0 286.379 2.348 20 10 CECDRO CC[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[NH+](C)C ZINC000156319386 261119853 /nfs/dbraw/zinc/11/98/53/261119853.db2.gz NBKRAXSNDQMRMY-OAHLLOKOSA-N 1 0 290.407 2.227 20 10 CECDRO CN(C)C(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000179684713 261809408 /nfs/dbraw/zinc/80/94/08/261809408.db2.gz MVAMUYYXTLKMQF-UHFFFAOYSA-N 1 0 289.423 2.053 20 10 CECDRO CC(=O)NCCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000184921877 262034022 /nfs/dbraw/zinc/03/40/22/262034022.db2.gz XIFBZKUPOIOYHM-GFCCVEGCSA-N 1 0 290.407 2.448 20 10 CECDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185438691 262053809 /nfs/dbraw/zinc/05/38/09/262053809.db2.gz ZKOGZCWKLILRRZ-ZIBATOQPSA-N 1 0 267.369 2.458 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185511782 262058188 /nfs/dbraw/zinc/05/81/88/262058188.db2.gz PLIVAYKIDZMTGZ-COPLHBTASA-N 1 0 269.410 2.464 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000186088992 262078961 /nfs/dbraw/zinc/07/89/61/262078961.db2.gz UEPULYAPHJGNFC-VXGBXAGGSA-N 1 0 274.364 2.115 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000186088302 262079430 /nfs/dbraw/zinc/07/94/30/262079430.db2.gz XLGDHNIPKOQBBG-KOLCDFICSA-N 1 0 294.782 2.460 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC2(C)OCCO2)c(O)c1 ZINC000186211932 262084689 /nfs/dbraw/zinc/08/46/89/262084689.db2.gz ZIHMCLUNAXZFAA-LLVKDONJSA-N 1 0 251.326 2.114 20 10 CECDRO CC(C)[NH+](CCNC(=O)Cc1ccc(N)cc1)C(C)C ZINC000019395438 262179910 /nfs/dbraw/zinc/17/99/10/262179910.db2.gz RJDWWGLISQBVFM-UHFFFAOYSA-N 1 0 277.412 2.046 20 10 CECDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)O)c1O ZINC000186902197 262328262 /nfs/dbraw/zinc/32/82/62/262328262.db2.gz BNXUBZPGRKLIAA-IUCAKERBSA-N 1 0 288.185 2.495 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271191267 262994462 /nfs/dbraw/zinc/99/44/62/262994462.db2.gz QGRXHTGBSAACTI-MRXNPFEDSA-N 1 0 294.370 2.277 20 10 CECDRO C[C@H](CN1CCCCC1)[NH2+]Cc1cc(F)ccc1O ZINC000226584444 263199287 /nfs/dbraw/zinc/19/92/87/263199287.db2.gz NAPLMFIRRMCRLE-GFCCVEGCSA-N 1 0 266.360 2.495 20 10 CECDRO C[C@H]([NH2+]CCc1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000148769345 263271600 /nfs/dbraw/zinc/27/16/00/263271600.db2.gz RMOJYTNMOFQTDI-ZDUSSCGKSA-N 1 0 272.396 2.379 20 10 CECDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(N(C)C)cc1 ZINC000287402323 264630185 /nfs/dbraw/zinc/63/01/85/264630185.db2.gz QZUPVYHSTRLKRX-ZDUSSCGKSA-N 1 0 280.412 2.191 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000368028315 267137684 /nfs/dbraw/zinc/13/76/84/267137684.db2.gz CPLFLXXWTMOKAE-IACUBPJLSA-N 1 0 293.363 2.106 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@]2(CCCOC2)O1 ZINC000370712503 267341082 /nfs/dbraw/zinc/34/10/82/267341082.db2.gz VUIRGGHNDLHSPW-CZUORRHYSA-N 1 0 277.364 2.162 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)NC(C)(C)C ZINC000295787437 279520745 /nfs/dbraw/zinc/52/07/45/279520745.db2.gz ABDOCUYZBCMXCF-CMPLNLGQSA-N 1 0 276.380 2.272 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cc(Cl)ccc1O ZINC000527951511 297766717 /nfs/dbraw/zinc/76/67/17/297766717.db2.gz BSVLTYWCFHDANH-QCZZGDTMSA-N 1 0 285.771 2.236 20 10 CECDRO CCOc1cccc(CN[C@H]2CC[NH2+]C23CCC3)c1O ZINC000530177496 298045621 /nfs/dbraw/zinc/04/56/21/298045621.db2.gz JHVYZJPJEXDNKA-AWEZNQCLSA-N 1 0 276.380 2.165 20 10 CECDRO CCOc1cccc(CN[C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530177498 298045724 /nfs/dbraw/zinc/04/57/24/298045724.db2.gz JHVYZJPJEXDNKA-CQSZACIVSA-N 1 0 276.380 2.165 20 10 CECDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000268966081 328187613 /nfs/dbraw/zinc/18/76/13/328187613.db2.gz YMWHPEMLZUMHCZ-GDBMZVCRSA-N 1 0 291.439 2.124 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1F ZINC000270452013 328193423 /nfs/dbraw/zinc/19/34/23/328193423.db2.gz 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CCN(C)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000054109854 520238002 /nfs/dbraw/zinc/23/80/02/520238002.db2.gz OHCHOCFBTHFSLC-NSHDSACASA-N 1 0 252.358 2.003 20 10 CECDRO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293355287 520473077 /nfs/dbraw/zinc/47/30/77/520473077.db2.gz DWGKQIODQURJFZ-UHFFFAOYSA-N 1 0 291.439 2.361 20 10 CECDRO CC1(C)C[N@H+](Cc2ccccc2O)C[C@]2(CCOC2)O1 ZINC000280248341 520484564 /nfs/dbraw/zinc/48/45/64/520484564.db2.gz KYLBLBUOTHDSMK-INIZCTEOSA-N 1 0 277.364 2.162 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1F ZINC000236911794 520899965 /nfs/dbraw/zinc/89/99/65/520899965.db2.gz VSTRYMPTXTYCQF-AWEZNQCLSA-N 1 0 293.386 2.040 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)cc1 ZINC000227975337 520907964 /nfs/dbraw/zinc/90/79/64/520907964.db2.gz YQLWHSWYEOUZFQ-WMLDXEAASA-N 1 0 292.423 2.162 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@]2(CCO)CCOC2)cc1 ZINC000278500625 520910193 /nfs/dbraw/zinc/91/01/93/520910193.db2.gz NVAGTUBFNUOXCP-QGZVFWFLSA-N 1 0 292.423 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265.353 2.259 20 10 CECDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cccc(OC)c1O ZINC000274906618 521355343 /nfs/dbraw/zinc/35/53/43/521355343.db2.gz GDXZWLPHRXRMPT-NSHDSACASA-N 1 0 294.395 2.184 20 10 CECDRO CCOc1cccc(C[NH2+]CCCn2ccnc2)c1O ZINC000020506275 521361768 /nfs/dbraw/zinc/36/17/68/521361768.db2.gz QQHGLXLYTKLDNY-UHFFFAOYSA-N 1 0 275.352 2.167 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2ccnc(OC)c2)c1O ZINC000060942040 521367325 /nfs/dbraw/zinc/36/73/25/521367325.db2.gz MTKADFPKYZUPJQ-UHFFFAOYSA-N 1 0 288.347 2.484 20 10 CECDRO CN(C)c1ccc(C2=CC[N@H+](Cc3ccnc(N)c3)C2)cc1 ZINC000365852536 522157134 /nfs/dbraw/zinc/15/71/34/522157134.db2.gz KNTUNXALSWVZME-UHFFFAOYSA-N 1 0 294.402 2.459 20 10 CECDRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(C)cc1O ZINC000280277972 522624903 /nfs/dbraw/zinc/62/49/03/522624903.db2.gz YGPSQPAXCNQPHK-NOLJZWGESA-N 1 0 279.380 2.281 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCCO1 ZINC000278928499 522749802 /nfs/dbraw/zinc/74/98/02/522749802.db2.gz USMWMBXFYMTMCR-GOEBONIOSA-N 1 0 296.386 2.175 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@](C)(O)CC2)cc1OC ZINC000279685607 522772914 /nfs/dbraw/zinc/77/29/14/522772914.db2.gz PFYXHYNKQKMYMU-INIZCTEOSA-N 1 0 295.379 2.146 20 10 CECDRO CC[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(C)cc1O ZINC000280054231 522830633 /nfs/dbraw/zinc/83/06/33/522830633.db2.gz JTEVOWCZMXFXQS-CYBMUJFWSA-N 1 0 285.409 2.176 20 10 CECDRO CC[C@@H]([NH2+]CC[C@@H](O)COC)c1ccc(C)cc1O ZINC000280151586 522840297 /nfs/dbraw/zinc/84/02/97/522840297.db2.gz QGAKUUUVVMTLBK-TZMCWYRMSA-N 1 0 267.369 2.139 20 10 CECDRO COC(=O)CCCCC[NH2+]Cc1cccc(OC)c1O ZINC000289804483 522992501 /nfs/dbraw/zinc/99/25/01/522992501.db2.gz NBSQTZNFKCVNQP-UHFFFAOYSA-N 1 0 281.352 2.224 20 10 CECDRO CN(Cc1ccccc1O)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000294944729 523377777 /nfs/dbraw/zinc/37/77/77/523377777.db2.gz CXENDGZVRFLVNN-TZMCWYRMSA-N 1 0 276.380 2.258 20 10 CECDRO C[NH+](C)CCN(C(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000237113785 524058782 /nfs/dbraw/zinc/05/87/82/524058782.db2.gz YENRXNQTAREGAI-UHFFFAOYSA-N 1 0 297.402 2.406 20 10 CECDRO COc1ccc(C[NH2+]CCOCC(F)F)cc1C ZINC000231677556 524071156 /nfs/dbraw/zinc/07/11/56/524071156.db2.gz YVMJGTIOQNLITA-UHFFFAOYSA-N 1 0 259.296 2.375 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)CN2CCCC2=O)cc1C ZINC000037782649 524074254 /nfs/dbraw/zinc/07/42/54/524074254.db2.gz PFPGUEZYMXSILR-ZDUSSCGKSA-N 1 0 276.380 2.104 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)N(C)C)c(O)c1 ZINC000293785049 524332985 /nfs/dbraw/zinc/33/29/85/524332985.db2.gz QISVKCUDXDOWKX-LBPRGKRZSA-N 1 0 264.369 2.138 20 10 CECDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccccc1O ZINC000278666486 524576119 /nfs/dbraw/zinc/57/61/19/524576119.db2.gz MZWQTSNCRQSSEE-AWEZNQCLSA-N 1 0 290.407 2.077 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CCc2cn[nH]c2)c1O ZINC000291462559 524868551 /nfs/dbraw/zinc/86/85/51/524868551.db2.gz DETOUEOTIUCXLB-UHFFFAOYSA-N 1 0 265.744 2.409 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1 ZINC000280275581 525345833 /nfs/dbraw/zinc/34/58/33/525345833.db2.gz MXXNTZKWDPFLHK-KRWDZBQOSA-N 1 0 291.391 2.471 20 10 CECDRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000280921512 525379049 /nfs/dbraw/zinc/37/90/49/525379049.db2.gz RCYZBFNLHJYTIC-TUAOUCFPSA-N 1 0 299.798 2.341 20 10 CECDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000041159271 525554902 /nfs/dbraw/zinc/55/49/02/525554902.db2.gz SBVKDNDLBSFNCU-GFCCVEGCSA-N 1 0 258.369 2.337 20 10 CECDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000278876897 525714803 /nfs/dbraw/zinc/71/48/03/525714803.db2.gz SFRBBHOMJYDPDM-GJZGRUSLSA-N 1 0 292.423 2.335 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c(O)c1C ZINC000278866545 525924177 /nfs/dbraw/zinc/92/41/77/525924177.db2.gz RODYTVFOEVUZMX-XEZPLFJOSA-N 1 0 279.380 2.200 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000374271474 526346506 /nfs/dbraw/zinc/34/65/06/526346506.db2.gz ODQYZDXCZLCAEU-UKRRQHHQSA-N 1 0 297.782 2.473 20 10 CECDRO CCC[NH+]1CCC(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000732281440 574618125 /nfs/dbraw/zinc/61/81/25/574618125.db2.gz IINROGSRKIPSHQ-UHFFFAOYSA-N 1 0 282.409 2.306 20 10 CECDRO C[C@H](C[NH+]1CCCCC1)NC(=O)C1=CC(=O)CS1 ZINC000732271616 574616874 /nfs/dbraw/zinc/61/68/74/574616874.db2.gz LSSCMWGEUCSZLI-SNVBAGLBSA-N 1 0 268.382 2.058 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H](C)Cc2cnccn2)c1 ZINC000733326019 574664333 /nfs/dbraw/zinc/66/43/33/574664333.db2.gz DGDKMKCWISLPJE-GFCCVEGCSA-N 1 0 257.337 2.211 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c(O)c1 ZINC000742374629 575018206 /nfs/dbraw/zinc/01/82/06/575018206.db2.gz AQWZPBLGNVLUPS-OCCSQVGLSA-N 1 0 278.396 2.363 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](C)COC)ccc1OC ZINC000747855100 575175899 /nfs/dbraw/zinc/17/58/99/575175899.db2.gz ZXZONKLWQZBYCQ-LBPRGKRZSA-N 1 0 267.369 2.356 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2ccn(C)c2)c(O)c1 ZINC000748098750 575178336 /nfs/dbraw/zinc/17/83/36/575178336.db2.gz MPJBLTDXGIRRMF-UHFFFAOYSA-N 1 0 260.337 2.419 20 10 CECDRO O=C(C[NH2+][C@@H]1CCc2cccc(O)c21)NCc1ccccc1 ZINC000309720419 625294540 /nfs/dbraw/zinc/29/45/40/625294540.db2.gz NNPJHBQZCZHSFL-OAHLLOKOSA-N 1 0 296.370 2.286 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccccc1O ZINC000806178831 622935485 /nfs/dbraw/zinc/93/54/85/622935485.db2.gz JOIYHIZSTRVELO-OCCSQVGLSA-N 1 0 272.348 2.214 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000846111296 623349768 /nfs/dbraw/zinc/34/97/68/623349768.db2.gz LEIYLQMNHAAACJ-AOOOYVTPSA-N 1 0 255.264 2.098 20 10 CECDRO CC(=O)N1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000089710494 623467576 /nfs/dbraw/zinc/46/75/76/623467576.db2.gz QCRFWIJQMHPSPC-UHFFFAOYSA-N 1 0 282.771 2.146 20 10 CECDRO CCOCc1cc(C[NH2+]Cc2cncn2C)ccc1OC ZINC000289937624 623535171 /nfs/dbraw/zinc/53/51/71/623535171.db2.gz UCVSCFWNGJAGBO-UHFFFAOYSA-N 1 0 289.379 2.255 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000051991985 624725164 /nfs/dbraw/zinc/72/51/64/624725164.db2.gz MKZZKCWSHOHZHN-AAEUAGOBSA-N 1 0 255.745 2.439 20 10 CECDRO O=C(C[C@@H]1CCC[NH2+]1)NCc1ccc(N2CCCC2)cc1 ZINC000178711085 624725946 /nfs/dbraw/zinc/72/59/46/624725946.db2.gz UOVRIRVFOBYDJQ-HNNXBMFYSA-N 1 0 287.407 2.045 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)Cc2cnccn2)c1 ZINC000725848864 625829634 /nfs/dbraw/zinc/82/96/34/625829634.db2.gz AGYVGQDPTFQFJZ-LBPRGKRZSA-N 1 0 287.363 2.302 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@H](CC[NH3+])C(F)F ZINC000841072828 634493010 /nfs/dbraw/zinc/49/30/10/634493010.db2.gz AJYJHXSQTSSOPI-CYBMUJFWSA-N 1 0 271.355 2.133 20 10 CECDRO C[C@H](CC[NH2+][C@@H](C)c1ccccc1O)[S@](C)=O ZINC000167468177 627664487 /nfs/dbraw/zinc/66/44/87/627664487.db2.gz XWMUIRKUVDQASR-VGTOOOLASA-N 1 0 255.383 2.200 20 10 CECDRO OC[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000311445019 627666896 /nfs/dbraw/zinc/66/68/96/627666896.db2.gz XFDNWUIMSMKMHJ-ZFWWWQNUSA-N 1 0 261.365 2.262 20 10 CECDRO COc1ccc(C[NH2+]CC2CCC2)c(O)c1OC ZINC000892714333 627706768 /nfs/dbraw/zinc/70/67/68/627706768.db2.gz NLXLFPGHLJXBAF-UHFFFAOYSA-N 1 0 251.326 2.299 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(C)C)C2)cc1C ZINC001019995244 627932184 /nfs/dbraw/zinc/93/21/84/627932184.db2.gz SMCFWGQQISZMEP-SHTZXODSSA-N 1 0 290.407 2.396 20 10 CECDRO C[C@H]([NH2+]CCCON)c1cc(Br)ccc1O ZINC000902426157 634647968 /nfs/dbraw/zinc/64/79/68/634647968.db2.gz RNUXVTMILKKHEF-QMMMGPOBSA-N 1 0 289.173 2.086 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840916050 628484206 /nfs/dbraw/zinc/48/42/06/628484206.db2.gz DTRDNSWXVXEYRW-QGZVFWFLSA-N 1 0 290.407 2.446 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)c(O)c1OC ZINC000893471022 628640120 /nfs/dbraw/zinc/64/01/20/628640120.db2.gz BMCMWAKXCITAHS-YPMHNXCESA-N 1 0 295.379 2.314 20 10 CECDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938741 628756720 /nfs/dbraw/zinc/75/67/20/628756720.db2.gz GHYABJSPYGZSGF-IRXDYDNUSA-N 1 0 292.423 2.345 20 10 CECDRO COCC[N@H+](Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1 ZINC000840940655 628774673 /nfs/dbraw/zinc/77/46/73/628774673.db2.gz JBYDHCKQZJKPFT-KRWDZBQOSA-N 1 0 292.423 2.298 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c(Cl)c1 ZINC000840940750 628774898 /nfs/dbraw/zinc/77/48/98/628774898.db2.gz FEZJHDDXNYHYJK-RYUDHWBXSA-N 1 0 299.798 2.089 20 10 CECDRO COCC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000840955662 628877759 /nfs/dbraw/zinc/87/77/59/628877759.db2.gz UFTVUDLUOUQJDQ-SNVBAGLBSA-N 1 0 298.339 2.071 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)CC(C)C)c1 ZINC000236869341 628980127 /nfs/dbraw/zinc/98/01/27/628980127.db2.gz KSCWZCNPLRKDDE-ZDUSSCGKSA-N 1 0 267.369 2.288 20 10 CECDRO CC[C@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000178735878 629144808 /nfs/dbraw/zinc/14/48/08/629144808.db2.gz KQNQESFJVWZPKV-AWEZNQCLSA-N 1 0 291.439 2.441 20 10 CECDRO COc1cc(C)cc(C[NH2+]C(C)(C)c2cnn(C)c2)c1O ZINC000894268130 629285963 /nfs/dbraw/zinc/28/59/63/629285963.db2.gz ATCRPMQUZYBHQH-UHFFFAOYSA-N 1 0 289.379 2.468 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCC[C@@H](C)CO)c1O ZINC000894368719 629398747 /nfs/dbraw/zinc/39/87/47/629398747.db2.gz SJLUFMXLULDZGK-LLVKDONJSA-N 1 0 267.369 2.207 20 10 CECDRO COC(=O)CC1([NH2+]Cc2cc(C)cc(OC)c2O)CCC1 ZINC000894375269 629405920 /nfs/dbraw/zinc/40/59/20/629405920.db2.gz PIDHVAFXDAUIHW-UHFFFAOYSA-N 1 0 293.363 2.285 20 10 CECDRO C/C=C\C[C@H](CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894480159 629485637 /nfs/dbraw/zinc/48/56/37/629485637.db2.gz MIPYCZHIGGVOQA-DSYXLKISSA-N 1 0 265.353 2.126 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)[C@H](OC)C2CC2)c(O)c1OC ZINC000894755448 629622521 /nfs/dbraw/zinc/62/25/21/629622521.db2.gz QVDUTJUORPTRKY-BMIGLBTASA-N 1 0 295.379 2.313 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCOC2(C)C)c1O ZINC000894877537 629711770 /nfs/dbraw/zinc/71/17/70/629711770.db2.gz BLGQLZFYQKFJKH-CYBMUJFWSA-N 1 0 265.353 2.366 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c1O ZINC000894970184 629773222 /nfs/dbraw/zinc/77/32/22/629773222.db2.gz SRWXVRNMKZFRGN-YPMHNXCESA-N 1 0 265.353 2.366 20 10 CECDRO CCn1nccc1C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895361021 630138770 /nfs/dbraw/zinc/13/87/70/630138770.db2.gz WGWLCQKKHUEDKQ-UHFFFAOYSA-N 1 0 275.352 2.215 20 10 CECDRO Cc1ccc(C[NH2+]CC(=O)N2CCc3ccccc32)c(O)c1 ZINC000895488773 630216298 /nfs/dbraw/zinc/21/62/98/630216298.db2.gz TXVRVDMZQKOUGC-UHFFFAOYSA-N 1 0 296.370 2.380 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCc2ccns2)c1O ZINC000895527946 630235603 /nfs/dbraw/zinc/23/56/03/630235603.db2.gz QTJBQZAKXFWMNF-UHFFFAOYSA-N 1 0 278.377 2.498 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCCn3nncc3C2)cc1C ZINC000895757087 630333143 /nfs/dbraw/zinc/33/31/43/630333143.db2.gz PROQCIQUGMCUFM-UHFFFAOYSA-N 1 0 272.352 2.006 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1F ZINC000895784734 630343760 /nfs/dbraw/zinc/34/37/60/630343760.db2.gz KDQIHOZRGGGFGT-ZENOOKHLSA-N 1 0 278.371 2.094 20 10 CECDRO COCC1C[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000895969510 630422756 /nfs/dbraw/zinc/42/27/56/630422756.db2.gz DXXPDRSBCYPOQQ-PLNGDYQASA-N 1 0 260.381 2.344 20 10 CECDRO COCC1C[NH+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000895971524 630424014 /nfs/dbraw/zinc/42/40/14/630424014.db2.gz SAKASONCZSYVJE-UHFFFAOYSA-N 1 0 271.744 2.132 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2COC[C@H]2C)cc1Cl ZINC000896732568 630651890 /nfs/dbraw/zinc/65/18/90/630651890.db2.gz IMRUGQXHSQUVCA-BXKDBHETSA-N 1 0 255.745 2.479 20 10 CECDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000799352014 631018457 /nfs/dbraw/zinc/01/84/57/631018457.db2.gz LFNGTQKPBQYGGJ-AAEUAGOBSA-N 1 0 279.336 2.168 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2cncc(O)c2)c1O ZINC000897305634 631067173 /nfs/dbraw/zinc/06/71/73/631067173.db2.gz ZKWKLJCKBAMVQX-UHFFFAOYSA-N 1 0 274.320 2.100 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c1O ZINC000800534163 631132939 /nfs/dbraw/zinc/13/29/39/631132939.db2.gz XHFNDGWBMWDILT-CQSZACIVSA-N 1 0 297.420 2.100 20 10 CECDRO Oc1ccc2ccccc2c1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000800862916 631150016 /nfs/dbraw/zinc/15/00/16/631150016.db2.gz BEVSOXKHAUGUSL-OKILXGFUSA-N 1 0 285.343 2.145 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000193934372 631215080 /nfs/dbraw/zinc/21/50/80/631215080.db2.gz DGWYUAVHISKGGM-KRWDZBQOSA-N 1 0 297.402 2.411 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000219079465 631249216 /nfs/dbraw/zinc/24/92/16/631249216.db2.gz PXKDMIKATLSBNK-QPUJVOFHSA-N 1 0 275.801 2.248 20 10 CECDRO C[C@@H](NC(=O)C[NH+]1CCCC1)c1ccc(N(C)C)cc1 ZINC000822081783 634846952 /nfs/dbraw/zinc/84/69/52/634846952.db2.gz GXGFJDZLENSKKO-CYBMUJFWSA-N 1 0 275.396 2.026 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](C)CS(C)(=O)=O ZINC000163378747 631343643 /nfs/dbraw/zinc/34/36/43/631343643.db2.gz MILMJWOJTGHMSR-CYBMUJFWSA-N 1 0 299.436 2.285 20 10 CECDRO COCCO[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000802653219 631440815 /nfs/dbraw/zinc/44/08/15/631440815.db2.gz PSEQTCQDCBKSIC-CQSZACIVSA-N 1 0 295.379 2.028 20 10 CECDRO COc1cccc(C[NH2+]CCc2ccc(N)cc2)c1O ZINC000841035351 631858061 /nfs/dbraw/zinc/85/80/61/631858061.db2.gz MWGOXYARCDWSKM-UHFFFAOYSA-N 1 0 272.348 2.315 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1O ZINC000897681186 631865842 /nfs/dbraw/zinc/86/58/42/631865842.db2.gz YRUSVPLOFDNCNC-IAQYHMDHSA-N 1 0 257.333 2.358 20 10 CECDRO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)cc1 ZINC000897685756 631875757 /nfs/dbraw/zinc/87/57/57/631875757.db2.gz RRHCHOLFIWZQKA-BBRMVZONSA-N 1 0 262.397 2.345 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1C ZINC000897822315 631931154 /nfs/dbraw/zinc/93/11/54/631931154.db2.gz WCEONHPUWNWJMB-WALBABNVSA-N 1 0 259.349 2.274 20 10 CECDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC000840134463 631950236 /nfs/dbraw/zinc/95/02/36/631950236.db2.gz WTUBFPLOPNEXRY-HIFRSBDPSA-N 1 0 260.381 2.145 20 10 CECDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000897969425 631995192 /nfs/dbraw/zinc/99/51/92/631995192.db2.gz JFAVGJBXDOEPFF-NSHDSACASA-N 1 0 286.331 2.237 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCOCCO)c1O ZINC000808672129 631998631 /nfs/dbraw/zinc/99/86/31/631998631.db2.gz DNXNADWOGXKZTK-JTQLQIEISA-N 1 0 273.760 2.014 20 10 CECDRO COC(=O)N1CC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)C1 ZINC000808706745 632002957 /nfs/dbraw/zinc/00/29/57/632002957.db2.gz SPZGDKQMFLFXPN-VIFPVBQESA-N 1 0 298.770 2.455 20 10 CECDRO Oc1c(C[N@H+]2CC[C@H](O)[C@H](F)C2)ccc2ccccc21 ZINC000898189555 632103826 /nfs/dbraw/zinc/10/38/26/632103826.db2.gz VJNWXDXCKLMTJM-CABCVRRESA-N 1 0 275.323 2.450 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](O)C2CC2)c1 ZINC000898199002 632112286 /nfs/dbraw/zinc/11/22/86/632112286.db2.gz XXJFTHXEUIDTRS-IINYFYTJSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CC[C@H]2C)cc1OC ZINC000809719338 632132676 /nfs/dbraw/zinc/13/26/76/632132676.db2.gz YBHJLRPQTOIVSZ-MWLCHTKSSA-N 1 0 251.326 2.298 20 10 CECDRO COc1cccc(C[NH2+]Cc2cccc3nccn32)c1O ZINC000809740280 632135630 /nfs/dbraw/zinc/13/56/30/632135630.db2.gz SAZVASNTZNTTGX-UHFFFAOYSA-N 1 0 283.331 2.338 20 10 CECDRO Cc1ccc(O)c(CN(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000809738023 632135691 /nfs/dbraw/zinc/13/56/91/632135691.db2.gz PKNMBPRGBPRGMN-MRXNPFEDSA-N 1 0 292.423 2.243 20 10 CECDRO C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](O)C1CC1 ZINC000809752420 632140907 /nfs/dbraw/zinc/14/09/07/632140907.db2.gz RSFQVOLPLZQKCL-ZDUSSCGKSA-N 1 0 255.745 2.248 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)CCCn1ccnc1 ZINC000809752877 632140528 /nfs/dbraw/zinc/14/05/28/632140528.db2.gz JZOCHWFWZPYBMY-UHFFFAOYSA-N 1 0 275.352 2.119 20 10 CECDRO CCOc1ccc(CN(C)CC[N@H+](C)C2CC2)c(O)c1 ZINC000809755062 632141185 /nfs/dbraw/zinc/14/11/85/632141185.db2.gz OBFWIIDSUQEEAM-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000809779104 632144652 /nfs/dbraw/zinc/14/46/52/632144652.db2.gz DJDPQLIZZYWPSN-CYBMUJFWSA-N 1 0 278.352 2.103 20 10 CECDRO CCC[C@@]1(CO)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000809790149 632146532 /nfs/dbraw/zinc/14/65/32/632146532.db2.gz AONCKRGXWHUQSM-MRXNPFEDSA-N 1 0 279.380 2.385 20 10 CECDRO Cc1cc(O)c(C[NH2+]Cc2ccc(CC(N)=O)cc2)cc1C ZINC000810158729 632189473 /nfs/dbraw/zinc/18/94/73/632189473.db2.gz SKPYCALHHLFFSH-UHFFFAOYSA-N 1 0 298.386 2.327 20 10 CECDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000841059005 632361514 /nfs/dbraw/zinc/36/15/14/632361514.db2.gz IYMWOIFCGALOKD-YOEHRIQHSA-N 1 0 273.424 2.374 20 10 CECDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000041681710 632444978 /nfs/dbraw/zinc/44/49/78/632444978.db2.gz WWONZGFXQJCUMB-LLVKDONJSA-N 1 0 264.373 2.121 20 10 CECDRO CCOC[C@@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450366 632499100 /nfs/dbraw/zinc/49/91/00/632499100.db2.gz QMRPDDLFGSVJRP-PBHICJAKSA-N 1 0 293.455 2.370 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCOC1CCSCC1 ZINC000898442243 632501167 /nfs/dbraw/zinc/50/11/67/632501167.db2.gz JQDZBLDZEWXKMC-UHFFFAOYSA-N 1 0 297.420 2.403 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000812780852 632577185 /nfs/dbraw/zinc/57/71/85/632577185.db2.gz VPYJZXVBZHFQLQ-GFCCVEGCSA-N 1 0 273.336 2.044 20 10 CECDRO CC[N@@H+](Cc1c(O)cccc1OC)C[C@@H](C)OC ZINC000812807701 632587001 /nfs/dbraw/zinc/58/70/01/632587001.db2.gz ICRBTQCTTOEZFR-LLVKDONJSA-N 1 0 253.342 2.258 20 10 CECDRO CCOc1cccc(C[NH2+]C2(COC)CCOCC2)c1O ZINC000814302069 632822874 /nfs/dbraw/zinc/82/28/74/632822874.db2.gz ODPYZIWCMSSTNI-UHFFFAOYSA-N 1 0 295.379 2.076 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCO[C@H](C)C2)c(O)c1 ZINC000815576680 633033090 /nfs/dbraw/zinc/03/30/90/633033090.db2.gz WDZKHWFIIFLUEE-CABCVRRESA-N 1 0 292.423 2.380 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000815579741 633033630 /nfs/dbraw/zinc/03/36/30/633033630.db2.gz UBWLWZMJJGOBNJ-IUODEOHRSA-N 1 0 267.369 2.057 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2nnnn2C2CC2)c(O)c1 ZINC000815595512 633035616 /nfs/dbraw/zinc/03/56/16/633035616.db2.gz TVVHXOCZGKFOHL-LLVKDONJSA-N 1 0 287.367 2.181 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C(N)=O)nc2)c(O)c1 ZINC000815587361 633036003 /nfs/dbraw/zinc/03/60/03/633036003.db2.gz HZBUVWVJHZVHQP-GFCCVEGCSA-N 1 0 299.374 2.354 20 10 CECDRO CN1CCO[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)C[C@@H]21 ZINC000816514933 633404737 /nfs/dbraw/zinc/40/47/37/633404737.db2.gz KTSFBLDWXIBPIH-IRXDYDNUSA-N 1 0 298.386 2.060 20 10 CECDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc2ccccc2c1O ZINC000816568056 633414419 /nfs/dbraw/zinc/41/44/19/633414419.db2.gz VDBVPBNUKLQHIZ-WYRIXSBYSA-N 1 0 277.389 2.402 20 10 CECDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816593870 633419781 /nfs/dbraw/zinc/41/97/81/633419781.db2.gz HEYKCSKSDSIXEY-SJCJKPOMSA-N 1 0 287.359 2.175 20 10 CECDRO CC(C)(C[NH2+]Cc1ccc2ccccc2c1O)OCCO ZINC000816613596 633421618 /nfs/dbraw/zinc/42/16/18/633421618.db2.gz ZASPBCANRRCZBN-UHFFFAOYSA-N 1 0 289.375 2.423 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H]2COC)c(O)c1 ZINC000816637288 633453524 /nfs/dbraw/zinc/45/35/24/633453524.db2.gz YXEOFIWWKAXDGJ-LBPRGKRZSA-N 1 0 251.326 2.012 20 10 CECDRO CN1CCC[C@@H]1C[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000817372161 633643243 /nfs/dbraw/zinc/64/32/43/633643243.db2.gz HGQMNKZJHJWPNK-CQSZACIVSA-N 1 0 285.391 2.466 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2(CC(N)=O)CC2)c(Cl)c1 ZINC000817411114 633651069 /nfs/dbraw/zinc/65/10/69/633651069.db2.gz NDAYSWUHXAMMBV-UHFFFAOYSA-N 1 0 282.771 2.099 20 10 CECDRO COc1cc(O)c(C[NH2+]CCCC2(O)CCC2)cc1OC ZINC000817414032 633653502 /nfs/dbraw/zinc/65/35/02/633653502.db2.gz DQVHVPCPKJQQIZ-UHFFFAOYSA-N 1 0 295.379 2.194 20 10 CECDRO CON1CCC([NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000817418360 633656486 /nfs/dbraw/zinc/65/64/86/633656486.db2.gz NJFOBBJJXWTFLY-UHFFFAOYSA-N 1 0 284.787 2.469 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)c(O)c1 ZINC000817585190 633702047 /nfs/dbraw/zinc/70/20/47/633702047.db2.gz CCEIJCUDHNQXCE-LLVKDONJSA-N 1 0 262.353 2.007 20 10 CECDRO [NH3+][C@@H]1CCCCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000817901280 633761383 /nfs/dbraw/zinc/76/13/83/633761383.db2.gz AQKZOKVDZOIHIH-CABCVRRESA-N 1 0 260.381 2.371 20 10 CECDRO C[NH2+]CCN[C@H](C)c1cc(Br)cc(C)c1O ZINC000817952818 633792119 /nfs/dbraw/zinc/79/21/19/633792119.db2.gz ULOBYKJNWNHBCI-SECBINFHSA-N 1 0 287.201 2.333 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@@H](CN)C2CC2)c2c1c(F)ccc2O ZINC000817961316 633803302 /nfs/dbraw/zinc/80/33/02/633803302.db2.gz XCSPGXHTZJNTHN-ZHAHWJHGSA-N 1 0 264.344 2.407 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1[O-] ZINC000817976850 633819688 /nfs/dbraw/zinc/81/96/88/633819688.db2.gz VMJRDQGTOOGJOC-IINYFYTJSA-N 1 0 264.344 2.324 20 10 CECDRO C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1O ZINC000817981652 633824629 /nfs/dbraw/zinc/82/46/29/633824629.db2.gz UKWGFOPJXKPFFE-PELKAZGASA-N 1 0 274.286 2.179 20 10 CECDRO [NH3+][C@H](C(=O)NCc1c(O)ccc2c1CCCC2)C1CCC1 ZINC000817997774 633831292 /nfs/dbraw/zinc/83/12/92/633831292.db2.gz VYCQYFAPJHNSAO-INIZCTEOSA-N 1 0 288.391 2.015 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1C ZINC000818112285 633872068 /nfs/dbraw/zinc/87/20/68/633872068.db2.gz ZIOZWANPCQFKQB-CQSZACIVSA-N 1 0 290.407 2.493 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000818357991 633914909 /nfs/dbraw/zinc/91/49/09/633914909.db2.gz MVKWTHWCQKCQJV-COLVAYQJSA-N 1 0 261.365 2.445 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000818357992 633915085 /nfs/dbraw/zinc/91/50/85/633915085.db2.gz MVKWTHWCQKCQJV-VCTAVGKDSA-N 1 0 261.365 2.445 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCCS(C)(=O)=O)c(O)c1 ZINC000818350664 633915192 /nfs/dbraw/zinc/91/51/92/633915192.db2.gz MNWCUZNZLLMAHI-CYBMUJFWSA-N 1 0 299.436 2.484 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000822503987 634933254 /nfs/dbraw/zinc/93/32/54/634933254.db2.gz NZPGIXOWXIXYFF-AWEZNQCLSA-N 1 0 272.352 2.129 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1O ZINC000903286672 635050481 /nfs/dbraw/zinc/05/04/81/635050481.db2.gz MEGUJHFUMZZQIO-PQLQOZPYSA-N 1 0 275.348 2.227 20 10 CECDRO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000903391975 635088702 /nfs/dbraw/zinc/08/87/02/635088702.db2.gz KDVIAXXSSDKXAP-CJNGLKHVSA-N 1 0 289.423 2.414 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2COC[C@H]2C2CC2)c1O ZINC000903440577 635119748 /nfs/dbraw/zinc/11/97/48/635119748.db2.gz QTWWYSSJJCJCCC-BPNCWPANSA-N 1 0 277.364 2.476 20 10 CECDRO COc1ccc2c(c1)CCCN2CC1CC[NH2+]CC1 ZINC000823578830 635218721 /nfs/dbraw/zinc/21/87/21/635218721.db2.gz HLVQOKXMSNQZRM-UHFFFAOYSA-N 1 0 260.381 2.447 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000824446224 635429197 /nfs/dbraw/zinc/42/91/97/635429197.db2.gz TWUHQLVMNQXEKX-ZDUSSCGKSA-N 1 0 290.407 2.317 20 10 CECDRO Oc1cc(Br)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000824491008 635435021 /nfs/dbraw/zinc/43/50/21/635435021.db2.gz LDUPVJSPNUNLGJ-LLVKDONJSA-N 1 0 286.169 2.111 20 10 CECDRO Cc1cc(O)c(CN2CCO[C@@H](C[NH+](C)C)C2)cc1Cl ZINC000824478689 635435099 /nfs/dbraw/zinc/43/50/99/635435099.db2.gz NZPLAEUKEYNTGO-ZDUSSCGKSA-N 1 0 298.814 2.116 20 10 CECDRO CC[C@@H](CO)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000824533161 635444850 /nfs/dbraw/zinc/44/48/50/635444850.db2.gz BLPVZQYJMDYGPS-JTQLQIEISA-N 1 0 288.185 2.357 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1OC)c1ccccc1O ZINC000824710227 635482798 /nfs/dbraw/zinc/48/27/98/635482798.db2.gz VZSZYXYHEUFOTF-IVMMDQJWSA-N 1 0 279.380 2.484 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000824846452 635510782 /nfs/dbraw/zinc/51/07/82/635510782.db2.gz SHFFLVDDQXTLDH-PBHICJAKSA-N 1 0 291.391 2.288 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H](C)Cc2cnn(C)c2)c1 ZINC000825045059 635547303 /nfs/dbraw/zinc/54/73/03/635547303.db2.gz BFDJJOKEWYABHQ-GFCCVEGCSA-N 1 0 259.353 2.155 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCN2CCOCC2)cc1Cl ZINC000825043777 635547380 /nfs/dbraw/zinc/54/73/80/635547380.db2.gz KBVARTAAPJNKOJ-UHFFFAOYSA-N 1 0 298.814 2.166 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)COCC2CC2)cc1Cl ZINC000825197868 635590300 /nfs/dbraw/zinc/59/03/00/635590300.db2.gz WJGAGXNASPBRSG-CYBMUJFWSA-N 1 0 299.798 2.231 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H](C)CO)cc1Cl ZINC000825297699 635608001 /nfs/dbraw/zinc/60/80/01/635608001.db2.gz LHFZXYACTHRGIC-NXEZZACHSA-N 1 0 257.761 2.461 20 10 CECDRO COC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000825322060 635615249 /nfs/dbraw/zinc/61/52/49/635615249.db2.gz WNFXFONQKWGTPA-LBPRGKRZSA-N 1 0 293.363 2.369 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000826020702 635747294 /nfs/dbraw/zinc/74/72/94/635747294.db2.gz WYQXXMWUWIGVKB-KBPBESRZSA-N 1 0 291.439 2.475 20 10 CECDRO Cc1cccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c1O ZINC000826868023 635866674 /nfs/dbraw/zinc/86/66/74/635866674.db2.gz ONSJAPDTQBMGOP-LJQANCHMSA-N 1 0 295.326 2.101 20 10 CECDRO O=C1CC[C@@H]2C[N@H+](Cc3c(O)cccc3Cl)CC[C@@H]2N1 ZINC000827133908 636229946 /nfs/dbraw/zinc/22/99/46/636229946.db2.gz XUHDXGXXWROJPD-MFKMUULPSA-N 1 0 294.782 2.146 20 10 CECDRO Cc1ccc(O)c(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC000827167263 636244403 /nfs/dbraw/zinc/24/44/03/636244403.db2.gz OXOQGQOUPUXTGX-CQSZACIVSA-N 1 0 276.380 2.190 20 10 CECDRO Cc1ccc(O)c(C[N@H+](CCOCCO)C2CCC2)c1 ZINC000827210690 636257836 /nfs/dbraw/zinc/25/78/36/636257836.db2.gz QHKXERBRLGPVTC-UHFFFAOYSA-N 1 0 279.380 2.064 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1O ZINC000827283054 636280272 /nfs/dbraw/zinc/28/02/72/636280272.db2.gz OTFLNVLFVNPMRN-ZBFHGGJFSA-N 1 0 261.365 2.423 20 10 CECDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000827501125 636338986 /nfs/dbraw/zinc/33/89/86/636338986.db2.gz REHXVFQJPZHTDI-BETUJISGSA-N 1 0 263.337 2.045 20 10 CECDRO CCSCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827661973 636380861 /nfs/dbraw/zinc/38/08/61/636380861.db2.gz JJSANAAGWCWDIR-UHFFFAOYSA-N 1 0 294.464 2.490 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3OCCO3)C1)CCC2 ZINC000905693700 636406597 /nfs/dbraw/zinc/40/65/97/636406597.db2.gz BQZKHJOUOZGEIS-CQSZACIVSA-N 1 0 289.375 2.076 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C[C@H](C)[NH3+])cc1F ZINC000829038799 636757870 /nfs/dbraw/zinc/75/78/70/636757870.db2.gz PCFJLKZXWSDEDZ-NSHDSACASA-N 1 0 281.375 2.025 20 10 CECDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876509529 650296056 /nfs/dbraw/zinc/29/60/56/650296056.db2.gz IIIBZNGZHCYIER-CYBMUJFWSA-N 1 0 277.364 2.476 20 10 CECDRO CCOC(=O)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876525956 650303817 /nfs/dbraw/zinc/30/38/17/650303817.db2.gz NTAWZVXTWFDYRG-UHFFFAOYSA-N 1 0 277.364 2.476 20 10 CECDRO CC(C)[NH2+]CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597532 637107671 /nfs/dbraw/zinc/10/76/71/637107671.db2.gz MXXBDBQTQRGNJD-UHFFFAOYSA-N 1 0 290.407 2.275 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876556407 650325068 /nfs/dbraw/zinc/32/50/68/650325068.db2.gz QLUPRNLYWAQEQI-CYBMUJFWSA-N 1 0 263.337 2.086 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H](O)c1ccco1)CC2 ZINC000834502161 637849201 /nfs/dbraw/zinc/84/92/01/637849201.db2.gz NFZGTMGAVHOWCU-AAEUAGOBSA-N 1 0 259.305 2.296 20 10 CECDRO COC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834559116 637866186 /nfs/dbraw/zinc/86/61/86/637866186.db2.gz ZPJYWGFEJRMOBR-STQMWFEESA-N 1 0 290.363 2.200 20 10 CECDRO COCCN1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834562670 637868076 /nfs/dbraw/zinc/86/80/76/637868076.db2.gz UYGPOJZGWYVXJM-LSDHHAIUSA-N 1 0 290.407 2.080 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)CC2 ZINC000834598996 637886237 /nfs/dbraw/zinc/88/62/37/637886237.db2.gz URDUCYUQKGKFAV-ZFWWWQNUSA-N 1 0 291.391 2.412 20 10 CECDRO C[C@@H]1CCCN1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834607292 637888611 /nfs/dbraw/zinc/88/86/11/637888611.db2.gz SOAICJUTTUJCBC-OCCSQVGLSA-N 1 0 260.381 2.453 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834765507 637944040 /nfs/dbraw/zinc/94/40/40/637944040.db2.gz NBSPOJUAWHELPH-GZBFAFLISA-N 1 0 277.364 2.163 20 10 CECDRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000834844709 637968552 /nfs/dbraw/zinc/96/85/52/637968552.db2.gz UFGCVLNZOVFEGK-CJNGLKHVSA-N 1 0 281.396 2.447 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1cc(F)ccc1O ZINC000834849993 637970731 /nfs/dbraw/zinc/97/07/31/637970731.db2.gz ICRSLOXTMRWXTK-GXTWGEPZSA-N 1 0 296.386 2.029 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834880486 637977198 /nfs/dbraw/zinc/97/71/98/637977198.db2.gz FWTIHGWCBOWIKO-VNHYZAJKSA-N 1 0 277.364 2.021 20 10 CECDRO CC[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(C)cc1O ZINC000834907814 637985300 /nfs/dbraw/zinc/98/53/00/637985300.db2.gz CVBYVDLLCXIJSM-XJKSGUPXSA-N 1 0 276.380 2.410 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c(O)c1 ZINC000834910387 637986089 /nfs/dbraw/zinc/98/60/89/637986089.db2.gz WTMYTROICJGWRQ-ABAIWWIYSA-N 1 0 262.353 2.020 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)CC)cc1)C(=O)NC ZINC000834913060 637987343 /nfs/dbraw/zinc/98/73/43/637987343.db2.gz OESIEUYTTBTVGD-WFASDCNBSA-N 1 0 277.412 2.318 20 10 CECDRO CCN(C/C=C/c1ccc(N(C)C)cc1)CC(=O)N(C)C ZINC000835026220 638029276 /nfs/dbraw/zinc/02/92/76/638029276.db2.gz SKHCCZIKBORITC-BQYQJAHWSA-N 1 0 289.423 2.176 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835026668 638030404 /nfs/dbraw/zinc/03/04/04/638030404.db2.gz ZNQYMTYFASCBQE-MBVDDHJVSA-N 1 0 288.391 2.261 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000835026742 638031198 /nfs/dbraw/zinc/03/11/98/638031198.db2.gz GGMQKPSERGFSKN-IMMZDGJCSA-N 1 0 260.381 2.223 20 10 CECDRO C[C@H](CO)[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835041437 638035254 /nfs/dbraw/zinc/03/52/54/638035254.db2.gz XHPSRQGITKLGOG-QJTIAFMVSA-N 1 0 262.397 2.372 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000835044563 638036758 /nfs/dbraw/zinc/03/67/58/638036758.db2.gz MCTZHOGYEZIRFW-BWPKMQGJSA-N 1 0 299.418 2.119 20 10 CECDRO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)[C@H](C)CO ZINC000835055614 638041749 /nfs/dbraw/zinc/04/17/49/638041749.db2.gz LQIMVVCTEDLFGQ-LMVHVUTASA-N 1 0 262.397 2.469 20 10 CECDRO O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C[C@@H]2CCCCN12 ZINC000835074288 638048658 /nfs/dbraw/zinc/04/86/58/638048658.db2.gz RIRYXUHCRIWKOR-STQMWFEESA-N 1 0 294.782 2.289 20 10 CECDRO CON1CCC([N@H+](C)Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000835076774 638049434 /nfs/dbraw/zinc/04/94/34/638049434.db2.gz VKACGCBPNGGYHM-UHFFFAOYSA-N 1 0 295.402 2.349 20 10 CECDRO Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000876665762 650388578 /nfs/dbraw/zinc/38/85/78/650388578.db2.gz HIHSVNJGQCBHOA-AAEUAGOBSA-N 1 0 272.348 2.156 20 10 CECDRO CN1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000876731222 650413022 /nfs/dbraw/zinc/41/30/22/650413022.db2.gz GJHBCOZWOXHRJG-VFNNOXKTSA-N 1 0 285.391 2.025 20 10 CECDRO CC(=O)OC1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876738760 650414437 /nfs/dbraw/zinc/41/44/37/650414437.db2.gz ACNDLFWNZWLKIT-UHFFFAOYSA-N 1 0 263.337 2.228 20 10 CECDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)cc2O)C1 ZINC000876815240 650443741 /nfs/dbraw/zinc/44/37/41/650443741.db2.gz OPMWTMXSIUCCPD-CQSZACIVSA-N 1 0 276.380 2.001 20 10 CECDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCc2c1cccc2F ZINC000876881580 650471382 /nfs/dbraw/zinc/47/13/82/650471382.db2.gz KGODNTUITAXIEU-SYTKJHMZSA-N 1 0 274.339 2.271 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1O ZINC000164482941 639378199 /nfs/dbraw/zinc/37/81/99/639378199.db2.gz KJVCQMJFQGKSBU-INIZCTEOSA-N 1 0 277.364 2.322 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H]1OC ZINC000156979755 639408148 /nfs/dbraw/zinc/40/81/48/639408148.db2.gz NMMGHTBSGUQCKX-OAGGEKHMSA-N 1 0 278.396 2.035 20 10 CECDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)c(C)cc2O)C1 ZINC000165139338 639416262 /nfs/dbraw/zinc/41/62/62/639416262.db2.gz OYYHCTSMUAYHKX-HNNXBMFYSA-N 1 0 290.407 2.309 20 10 CECDRO CCC[C@H](CCO)C[NH2+]Cc1cc(F)ccc1O ZINC000226612321 639555483 /nfs/dbraw/zinc/55/54/83/639555483.db2.gz UKCCKZYSQLQKRX-LLVKDONJSA-N 1 0 255.333 2.420 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1cc(Cl)ccc1O ZINC000840833750 639556524 /nfs/dbraw/zinc/55/65/24/639556524.db2.gz PJKRJVYMUUFRQM-JOYOIKCWSA-N 1 0 282.771 2.222 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CC(=O)N1CCCC1 ZINC000840910645 639582181 /nfs/dbraw/zinc/58/21/81/639582181.db2.gz VLJTYBFQKVSZIP-UHFFFAOYSA-N 1 0 289.423 2.115 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CO[C@H]1CCOC1 ZINC000840936799 639591144 /nfs/dbraw/zinc/59/11/44/639591144.db2.gz GOZKOPSYGHIFQM-PBHICJAKSA-N 1 0 292.423 2.345 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@]12CCOC2=O ZINC000840937577 639592298 /nfs/dbraw/zinc/59/22/98/639592298.db2.gz KCSBMADISBFVNP-KRWDZBQOSA-N 1 0 288.391 2.343 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CC1(O)CCC1 ZINC000840940366 639593951 /nfs/dbraw/zinc/59/39/51/639593951.db2.gz ZIAVLSYEPIPAQZ-UHFFFAOYSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000840941167 639594200 /nfs/dbraw/zinc/59/42/00/639594200.db2.gz UOTZJNLLQVGKBN-HNNXBMFYSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C(C)(C)CN(C)C ZINC000840953590 639599422 /nfs/dbraw/zinc/59/94/22/639599422.db2.gz VPNQAXGRGOCNLO-UHFFFAOYSA-N 1 0 263.429 2.491 20 10 CECDRO COC1([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000840970887 639604571 /nfs/dbraw/zinc/60/45/71/639604571.db2.gz ZGWQNLGGKRYHQY-SNVBAGLBSA-N 1 0 279.336 2.168 20 10 CECDRO CC(C)NC(=O)[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000840974263 639605838 /nfs/dbraw/zinc/60/58/38/639605838.db2.gz DAMJFILECDFOGU-LMVHVUTASA-N 1 0 289.423 2.269 20 10 CECDRO COC(=O)[C@H]1CSCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000840979008 639609072 /nfs/dbraw/zinc/60/90/72/639609072.db2.gz YONLCFNJGBCJAM-CYBMUJFWSA-N 1 0 295.404 2.039 20 10 CECDRO CN(C)c1ccc(/C=C/CN[C@@H](C[NH3+])C2CC2)cc1 ZINC000841027936 639620817 /nfs/dbraw/zinc/62/08/17/639620817.db2.gz GSPMMPFOQQDGGV-CWDCEQMOSA-N 1 0 259.397 2.093 20 10 CECDRO Cc1cc(O)c(CNC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000841037078 639627511 /nfs/dbraw/zinc/62/75/11/639627511.db2.gz YKCOBFUEQXQJTF-JTQLQIEISA-N 1 0 254.761 2.196 20 10 CECDRO Cc1cc(Cl)cc(CN[C@H]2CCC[NH2+]C2)c1O ZINC000841043217 639629723 /nfs/dbraw/zinc/62/97/23/639629723.db2.gz PZYDALFTHHJCLX-LBPRGKRZSA-N 1 0 254.761 2.196 20 10 CECDRO c1cc(N2CCCCC2)ccc1CN[C@@H]1CC[NH2+]C1 ZINC000841044380 639630970 /nfs/dbraw/zinc/63/09/70/639630970.db2.gz DOMGWXCOIGNUQW-OAHLLOKOSA-N 1 0 259.397 2.128 20 10 CECDRO Cc1cc(Br)cc(C[NH2+]C[C@H]([NH3+])C2CC2)c1O ZINC000841049739 639631894 /nfs/dbraw/zinc/63/18/94/639631894.db2.gz NISHUAAWRXSJAQ-LBPRGKRZSA-N 1 0 299.212 2.290 20 10 CECDRO CC1(C[NH2+]Cc2cccc(F)c2[O-])CC[NH2+]CC1 ZINC000841058389 639635643 /nfs/dbraw/zinc/63/56/43/639635643.db2.gz XCLJYVUXXODQGI-UHFFFAOYSA-N 1 0 252.333 2.011 20 10 CECDRO COc1cc(Cl)cc(CN[C@@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841059173 639636950 /nfs/dbraw/zinc/63/69/50/639636950.db2.gz LZRFHCVFRABZOR-JOYOIKCWSA-N 1 0 284.787 2.142 20 10 CECDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1cc(Br)ccc1O ZINC000841065570 639640536 /nfs/dbraw/zinc/64/05/36/639640536.db2.gz QORIYQIMYJUYFN-CABZTGNLSA-N 1 0 299.212 2.385 20 10 CECDRO [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000841085053 639649510 /nfs/dbraw/zinc/64/95/10/639649510.db2.gz SVYIYKRXSMRIKO-MWLCHTKSSA-N 1 0 299.212 2.372 20 10 CECDRO [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000841085221 639650392 /nfs/dbraw/zinc/65/03/92/639650392.db2.gz XBVLPBPKDYZOFL-BDAKNGLRSA-N 1 0 272.751 2.402 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC2)c1O ZINC000228671149 639651813 /nfs/dbraw/zinc/65/18/13/639651813.db2.gz YMQJTOCHLFPKII-VIFPVBQESA-N 1 0 271.744 2.180 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@H]1CCCC[NH2+]C1 ZINC000841090813 639653412 /nfs/dbraw/zinc/65/34/12/639653412.db2.gz RAJLEGHELAMDQM-OAHLLOKOSA-N 1 0 261.413 2.293 20 10 CECDRO CCN(CC)C(=O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000228795198 639659333 /nfs/dbraw/zinc/65/93/33/639659333.db2.gz UJQGTKSGBNYBDD-GFCCVEGCSA-N 1 0 264.369 2.220 20 10 CECDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cn1ccnc1 ZINC000062254341 639741091 /nfs/dbraw/zinc/74/10/91/639741091.db2.gz NWRUFRYXZCJJFC-ZDUSSCGKSA-N 1 0 271.364 2.244 20 10 CECDRO Cn1nccc1CC[NH2+]Cc1c(O)cccc1Cl ZINC000231033868 639824271 /nfs/dbraw/zinc/82/42/71/639824271.db2.gz KIVHSTNSHXLQTK-UHFFFAOYSA-N 1 0 265.744 2.111 20 10 CECDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(Cl)cc1O ZINC000841745735 639856638 /nfs/dbraw/zinc/85/66/38/639856638.db2.gz ACAPMDFTYQNGHX-NEPJUHHUSA-N 1 0 298.814 2.417 20 10 CECDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841745313 639857232 /nfs/dbraw/zinc/85/72/32/639857232.db2.gz XHHWYAKLABWUSS-RKDXNWHRSA-N 1 0 270.760 2.221 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1C ZINC000841894872 639901720 /nfs/dbraw/zinc/90/17/20/639901720.db2.gz ZCPYTUIPSUAGLE-CYBMUJFWSA-N 1 0 284.350 2.438 20 10 CECDRO [NH3+]CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000841922266 639906229 /nfs/dbraw/zinc/90/62/29/639906229.db2.gz DVCOWCUMTTXZCX-UHFFFAOYSA-N 1 0 291.395 2.195 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)C[NH3+])cc1 ZINC000841983122 639915879 /nfs/dbraw/zinc/91/58/79/639915879.db2.gz ZYRKJFKFUSHRIE-ZDUSSCGKSA-N 1 0 292.427 2.021 20 10 CECDRO CN(C)c1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1 ZINC000174639040 639958170 /nfs/dbraw/zinc/95/81/70/639958170.db2.gz QEJHDDGPWGGZNC-UHFFFAOYSA-N 1 0 298.452 2.056 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@H](C[NH3+])C2)c1O ZINC000842478597 640077653 /nfs/dbraw/zinc/07/76/53/640077653.db2.gz LDCOACARPABGLJ-GXFFZTMASA-N 1 0 294.370 2.151 20 10 CECDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(C)cc2O)o1 ZINC000877060233 650553750 /nfs/dbraw/zinc/55/37/50/650553750.db2.gz VQPUUWLPWXOIGV-CQSZACIVSA-N 1 0 261.321 2.425 20 10 CECDRO COc1cccc(O)c1C[NH2+]Cc1ccc(CO)cc1 ZINC000842732124 640162478 /nfs/dbraw/zinc/16/24/78/640162478.db2.gz IKUIOTGXTICAKQ-UHFFFAOYSA-N 1 0 273.332 2.183 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000877074420 650560408 /nfs/dbraw/zinc/56/04/08/650560408.db2.gz JKTCMFNEGHIBJN-OAHLLOKOSA-N 1 0 280.437 2.228 20 10 CECDRO C[C@H](C(=O)N(C)c1ccc(N)cc1)[NH+]1CCCCCC1 ZINC000877077620 650561956 /nfs/dbraw/zinc/56/19/56/650561956.db2.gz OXPPPHSWDHJBKF-CYBMUJFWSA-N 1 0 275.396 2.496 20 10 CECDRO CN(C(=O)CCC1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000877077318 650562141 /nfs/dbraw/zinc/56/21/41/650562141.db2.gz COBFRYQHELEYIZ-UHFFFAOYSA-N 1 0 261.369 2.011 20 10 CECDRO C[NH2+][C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843045772 640251161 /nfs/dbraw/zinc/25/11/61/640251161.db2.gz VYBVCZNMUFHYDG-MRXNPFEDSA-N 1 0 273.424 2.471 20 10 CECDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@H]2C)cc1 ZINC000843048359 640252167 /nfs/dbraw/zinc/25/21/67/640252167.db2.gz ZXLCXGCQFUVJHB-CQSZACIVSA-N 1 0 261.413 2.327 20 10 CECDRO CCOc1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000843055881 640258041 /nfs/dbraw/zinc/25/80/41/640258041.db2.gz RPCVBBGTOFLVJG-CQSZACIVSA-N 1 0 276.380 2.117 20 10 CECDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(N(C)C)cc1C ZINC000843056123 640258295 /nfs/dbraw/zinc/25/82/95/640258295.db2.gz TXYUCDBLRAUHEC-MRXNPFEDSA-N 1 0 261.413 2.245 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000843057236 640259502 /nfs/dbraw/zinc/25/95/02/640259502.db2.gz HEHMSXPZAYGVTI-UONOGXRCSA-N 1 0 261.413 2.243 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000843119900 640288186 /nfs/dbraw/zinc/28/81/86/640288186.db2.gz LZHMNELCAFSCSQ-KGLIPLIRSA-N 1 0 261.413 2.243 20 10 CECDRO C[C@@]1(F)C[NH2+]CCN(Cc2cc(Cl)ccc2O)C1 ZINC000843125086 640292477 /nfs/dbraw/zinc/29/24/77/640292477.db2.gz NJMDXMNIVIQIRW-CYBMUJFWSA-N 1 0 272.751 2.179 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000843128906 640295538 /nfs/dbraw/zinc/29/55/38/640295538.db2.gz YYBLETVZXCMMJT-ZFWWWQNUSA-N 1 0 277.387 2.076 20 10 CECDRO C[C@H]([NH3+])C[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000843130002 640296389 /nfs/dbraw/zinc/29/63/89/640296389.db2.gz WNEMXVPWYQUVQB-BEVHLOIGSA-N 1 0 261.413 2.481 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2c3ccccc3C[C@H]2O)c(O)c1 ZINC000877093210 650568669 /nfs/dbraw/zinc/56/86/69/650568669.db2.gz FZYNUAGGOMIEGA-IAGOWNOFSA-N 1 0 269.344 2.449 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000877094187 650570070 /nfs/dbraw/zinc/57/00/70/650570070.db2.gz IAGQRVDSDZSGDE-DOMZBBRYSA-N 1 0 260.381 2.273 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2CCOC[C@@H]1CCCO1 ZINC000843350704 640399695 /nfs/dbraw/zinc/39/96/95/640399695.db2.gz SVEIWKLAKBCRRC-INIZCTEOSA-N 1 0 290.407 2.094 20 10 CECDRO C[C@@H](C(=O)NC(C)(C)C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349727 640399836 /nfs/dbraw/zinc/39/98/36/640399836.db2.gz JVJFYJQLLSENES-LBPRGKRZSA-N 1 0 289.423 2.201 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000843427957 640426603 /nfs/dbraw/zinc/42/66/03/640426603.db2.gz DSYJJFPNRFWJCG-HNNXBMFYSA-N 1 0 277.364 2.402 20 10 CECDRO CC(=O)NCC[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000843428199 640427730 /nfs/dbraw/zinc/42/77/30/640427730.db2.gz SEGZSJQYAGECBT-UHFFFAOYSA-N 1 0 272.348 2.113 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CCS[C@H]2C)cc1OC ZINC000843435092 640430376 /nfs/dbraw/zinc/43/03/76/640430376.db2.gz QFIRXEZOUVVNTI-GXSJLCMTSA-N 1 0 283.393 2.393 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH+]ccc1N ZINC000843488069 640440985 /nfs/dbraw/zinc/44/09/85/640440985.db2.gz PFUUEVBGWVZEMW-UHFFFAOYSA-N 1 0 298.390 2.222 20 10 CECDRO CC[C@@H](SC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844163224 640621175 /nfs/dbraw/zinc/62/11/75/640621175.db2.gz VVDSKXPACXIPDT-ZIAGYGMSSA-N 1 0 295.452 2.010 20 10 CECDRO C[C@@H]([NH3+])CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000844221074 640635747 /nfs/dbraw/zinc/63/57/47/640635747.db2.gz SIPLYYZMZWYJKL-CQSZACIVSA-N 1 0 261.413 2.456 20 10 CECDRO CCOC(=O)/C=C/C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000930215771 641104556 /nfs/dbraw/zinc/10/45/56/641104556.db2.gz ZENHOVRMUYWWGF-QRGHLMKCSA-N 1 0 279.336 2.171 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000846141266 641198915 /nfs/dbraw/zinc/19/89/15/641198915.db2.gz HEQXJJMHCBHBDA-QWRGUYRKSA-N 1 0 294.395 2.355 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCOC(C)C)c1O ZINC000846162921 641209743 /nfs/dbraw/zinc/20/97/43/641209743.db2.gz JUUCQTMJLPLQIQ-LLVKDONJSA-N 1 0 253.342 2.476 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCC2(O)CCC2)c1O ZINC000846172662 641211358 /nfs/dbraw/zinc/21/13/58/641211358.db2.gz OBPABRCDBOYZAD-NSHDSACASA-N 1 0 265.353 2.357 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCc2cn[nH]c2)c1O ZINC000846170165 641211882 /nfs/dbraw/zinc/21/18/82/641211882.db2.gz JBNPPNFAUXCYET-SNVBAGLBSA-N 1 0 261.325 2.017 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@H](O)C(F)F ZINC000846170421 641211970 /nfs/dbraw/zinc/21/19/70/641211970.db2.gz NNAJEODMUIZVLS-FWDPORAESA-N 1 0 289.322 2.456 20 10 CECDRO CC[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)OC ZINC000846172894 641212992 /nfs/dbraw/zinc/21/29/92/641212992.db2.gz PIJJUATYLYNYLW-QWRGUYRKSA-N 1 0 253.342 2.476 20 10 CECDRO CCN1C[C@H](C[NH2+][C@H](C)c2ccc(C)cc2O)CC1=O ZINC000846207826 641222164 /nfs/dbraw/zinc/22/21/64/641222164.db2.gz GHOOPGDEBHWPOF-OLZOCXBDSA-N 1 0 276.380 2.220 20 10 CECDRO C[C@@H](NC(=O)/C=C\[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000877255848 650644137 /nfs/dbraw/zinc/64/41/37/650644137.db2.gz INZKWLPXKAIMCN-WACGGTQYSA-N 1 0 274.364 2.125 20 10 CECDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000179447768 641351416 /nfs/dbraw/zinc/35/14/16/641351416.db2.gz CPQZMNQAVGRELS-CYBMUJFWSA-N 1 0 293.363 2.237 20 10 CECDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCS1 ZINC000126479431 650678103 /nfs/dbraw/zinc/67/81/03/650678103.db2.gz MLDOGUGCBDNUCU-AWEZNQCLSA-N 1 0 281.377 2.496 20 10 CECDRO CCCN(Cc1cccc(OCC)c1O)[C@@H]1CC[NH2+]C1 ZINC000071314506 641739743 /nfs/dbraw/zinc/73/97/43/641739743.db2.gz CNMHBGQROBBRCM-CQSZACIVSA-N 1 0 278.396 2.365 20 10 CECDRO CCOCc1cc(C[NH2+]CCCN2CCC2)ccc1OC ZINC000848545899 642046418 /nfs/dbraw/zinc/04/64/18/642046418.db2.gz MZTZCLMYXOPQHC-UHFFFAOYSA-N 1 0 292.423 2.417 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(CO)OC)cc1F ZINC000848560379 642053096 /nfs/dbraw/zinc/05/30/96/642053096.db2.gz MJMTUZMRPKKVJV-INIZCTEOSA-N 1 0 298.402 2.159 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC2(COC)CC2)c1 ZINC000848565655 642056966 /nfs/dbraw/zinc/05/69/66/642056966.db2.gz QZKFEBLFLQYYJN-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc1C ZINC000848578301 642064084 /nfs/dbraw/zinc/06/40/84/642064084.db2.gz QGLYMPZVDPHPJP-AWEZNQCLSA-N 1 0 290.363 2.076 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(OC)CCOCC2)c1 ZINC000186146911 642072975 /nfs/dbraw/zinc/07/29/75/642072975.db2.gz DGUSPZHTYAFBMO-GFCCVEGCSA-N 1 0 295.379 2.247 20 10 CECDRO CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(C)cc1O ZINC000877440517 650723096 /nfs/dbraw/zinc/72/30/96/650723096.db2.gz AWSUORYMUPQXCL-CQSZACIVSA-N 1 0 276.380 2.143 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@H](CNC(C)=O)C2)c1O ZINC000848877865 642166247 /nfs/dbraw/zinc/16/62/47/642166247.db2.gz VDPZANRSLGPHPN-CQSZACIVSA-N 1 0 290.407 2.303 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1O ZINC000848884090 642169541 /nfs/dbraw/zinc/16/95/41/642169541.db2.gz WZZDSTQWOQZGMC-CYBMUJFWSA-N 1 0 290.407 2.432 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCCC2(O)CCC2)c1 ZINC000817414344 642172379 /nfs/dbraw/zinc/17/23/79/642172379.db2.gz HYDUBBXVKZPZIS-UHFFFAOYSA-N 1 0 265.353 2.186 20 10 CECDRO CCc1cccc(C[N@@H+]2CCN(C)C(=O)C2(C)C)c1O ZINC000848888455 642173644 /nfs/dbraw/zinc/17/36/44/642173644.db2.gz ULPBSTWLFBKTHA-UHFFFAOYSA-N 1 0 276.380 2.007 20 10 CECDRO CCc1cccc(C[NH2+]CCC(=O)N2CCCCC2)c1O ZINC000848894406 642176119 /nfs/dbraw/zinc/17/61/19/642176119.db2.gz LIWIQJGFWUCBKN-UHFFFAOYSA-N 1 0 290.407 2.447 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)C(=O)N[C@@H](C)CC)c1O ZINC000848899391 642178094 /nfs/dbraw/zinc/17/80/94/642178094.db2.gz FOYSAOVVYVTXDT-RYUDHWBXSA-N 1 0 278.396 2.347 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000877461251 650729590 /nfs/dbraw/zinc/72/95/90/650729590.db2.gz CHKCVNACVTTWDF-AWEZNQCLSA-N 1 0 276.380 2.047 20 10 CECDRO CCc1cccc(C[N@@H+]2CCN(C(C)=O)CC2(C)C)c1O ZINC000848900178 642178890 /nfs/dbraw/zinc/17/88/90/642178890.db2.gz CIYVEIVZERPCSR-UHFFFAOYSA-N 1 0 290.407 2.397 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)C(=O)N[C@H](C)CC)c1O ZINC000848899394 642178962 /nfs/dbraw/zinc/17/89/62/642178962.db2.gz FOYSAOVVYVTXDT-VXGBXAGGSA-N 1 0 278.396 2.347 20 10 CECDRO COc1ccc(C[NH2+]Cc2cnc(Cl)n2C)c(O)c1 ZINC000848908602 642185087 /nfs/dbraw/zinc/18/50/87/642185087.db2.gz YTCYBRQGPQAURM-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO CCc1cccc(C[N@H+]2CCN(CC)C[C@H]2C)c1O ZINC000848910753 642186118 /nfs/dbraw/zinc/18/61/18/642186118.db2.gz PNOXNHQZUXEYRO-CYBMUJFWSA-N 1 0 262.397 2.481 20 10 CECDRO COc1cccc(C[NH+]2CC3(CC3(F)F)C2)c1O ZINC000848922270 642194319 /nfs/dbraw/zinc/19/43/19/642194319.db2.gz PPLZHCZTDCEMOM-UHFFFAOYSA-N 1 0 255.264 2.242 20 10 CECDRO COc1ccccc1CNC(=[NH2+])NCc1ccccc1O ZINC000849058844 642258996 /nfs/dbraw/zinc/25/89/96/642258996.db2.gz WDBNJNPUBWFCHS-UHFFFAOYSA-N 1 0 285.347 2.215 20 10 CECDRO Cc1nnc2n1C[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000921633464 642290052 /nfs/dbraw/zinc/29/00/52/642290052.db2.gz PJLHRCGFAVIISG-HNNXBMFYSA-N 1 0 298.390 2.016 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c(O)c1 ZINC000186185455 642310148 /nfs/dbraw/zinc/31/01/48/642310148.db2.gz JCJYWDJYYXNYGW-LBPRGKRZSA-N 1 0 297.420 2.176 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000850011364 642540932 /nfs/dbraw/zinc/54/09/32/642540932.db2.gz OTQPPVSSTAAKBZ-NILFDRSVSA-N 1 0 276.380 2.040 20 10 CECDRO Cc1cccc(O)c1C[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000877528298 650769697 /nfs/dbraw/zinc/76/96/97/650769697.db2.gz WWDGHWCBDPWJAQ-LLVKDONJSA-N 1 0 263.259 2.056 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c(O)c1 ZINC000877537396 650774880 /nfs/dbraw/zinc/77/48/80/650774880.db2.gz KPTHPTKAZLGSIJ-YOEHRIQHSA-N 1 0 285.343 2.285 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCCOC3)C2)cc1 ZINC000850346267 642675259 /nfs/dbraw/zinc/67/52/59/642675259.db2.gz DLNTYRRGFKDSOW-HUUCEWRRSA-N 1 0 290.407 2.290 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000850379383 642690993 /nfs/dbraw/zinc/69/09/93/642690993.db2.gz NGDWCYLAYXDALV-VXGBXAGGSA-N 1 0 265.353 2.448 20 10 CECDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850383132 642693561 /nfs/dbraw/zinc/69/35/61/642693561.db2.gz LFFJKAIVWFQKNN-OCCSQVGLSA-N 1 0 266.360 2.406 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H](CO)CC2CC2)cc1F ZINC000850389403 642696924 /nfs/dbraw/zinc/69/69/24/642696924.db2.gz WNWAPGNHSBHJOR-AWEZNQCLSA-N 1 0 280.387 2.390 20 10 CECDRO Cc1cncc(CC[NH2+]Cc2ccc(N(C)C)cc2)n1 ZINC000850390026 642697532 /nfs/dbraw/zinc/69/75/32/642697532.db2.gz ASGQVVLDYNULAK-UHFFFAOYSA-N 1 0 270.380 2.183 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000850396260 642700176 /nfs/dbraw/zinc/70/01/76/642700176.db2.gz IKFQIUKNDRNZCT-ZDUSSCGKSA-N 1 0 290.407 2.437 20 10 CECDRO OC1CCN(c2ccc(C[NH2+]CCCCF)cc2)CC1 ZINC000877541727 650777643 /nfs/dbraw/zinc/77/76/43/650777643.db2.gz LNJNOIJLOHNPSG-UHFFFAOYSA-N 1 0 280.387 2.487 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c(O)c1 ZINC000877544416 650779268 /nfs/dbraw/zinc/77/92/68/650779268.db2.gz PJBZGTJFOXUHTF-CQSZACIVSA-N 1 0 257.337 2.344 20 10 CECDRO CO[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)[C@@H]1CCOC1 ZINC000850484239 642729033 /nfs/dbraw/zinc/72/90/33/642729033.db2.gz FPTVYNTYLXHXLD-XJKCOSOUSA-N 1 0 279.380 2.403 20 10 CECDRO CO[C@H](C[NH2+][C@H](C)c1cc(F)ccc1O)[C@@H]1CCOC1 ZINC000850485101 642729136 /nfs/dbraw/zinc/72/91/36/642729136.db2.gz XESFUPZXZCFOKE-UEKVPHQBSA-N 1 0 283.343 2.233 20 10 CECDRO CCn1cc(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)nn1 ZINC000850522487 642739353 /nfs/dbraw/zinc/73/93/53/642739353.db2.gz RNDYBROFGZOVRM-GFCCVEGCSA-N 1 0 274.368 2.471 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)c2c1c(F)ccc2O ZINC000850577580 642756143 /nfs/dbraw/zinc/75/61/43/642756143.db2.gz ANMUZPOEPFPZJQ-TURQNECASA-N 1 0 251.301 2.193 20 10 CECDRO OC[C@H](CC1CC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921935823 642795000 /nfs/dbraw/zinc/79/50/00/642795000.db2.gz VEYJFDAESKJPCG-HNNXBMFYSA-N 1 0 261.365 2.262 20 10 CECDRO CCOC(=O)[C@@H](F)C1C[NH+](Cc2c(C)cccc2O)C1 ZINC000877550730 650783355 /nfs/dbraw/zinc/78/33/55/650783355.db2.gz RIAKPPXZIFUKSR-AWEZNQCLSA-N 1 0 281.327 2.034 20 10 CECDRO Cc1ccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c(O)c1 ZINC000877553588 650784238 /nfs/dbraw/zinc/78/42/38/650784238.db2.gz AUHBTSYNTCHHAL-DLBZAZTESA-N 1 0 291.391 2.110 20 10 CECDRO O[C@H]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922043988 642854091 /nfs/dbraw/zinc/85/40/91/642854091.db2.gz IMXBVCSMKWOHOF-HIFRSBDPSA-N 1 0 261.365 2.262 20 10 CECDRO OC1CC(CC[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922064426 642861870 /nfs/dbraw/zinc/86/18/70/642861870.db2.gz OPGLFEXFXDPVMY-UHFFFAOYSA-N 1 0 261.365 2.262 20 10 CECDRO Cc1ccc(C[NH2+]CCc2cnc(C)cn2)c(O)c1 ZINC000877577774 650797551 /nfs/dbraw/zinc/79/75/51/650797551.db2.gz JHORUBANXTUQFS-UHFFFAOYSA-N 1 0 257.337 2.131 20 10 CECDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CCC1 ZINC000922167790 642931259 /nfs/dbraw/zinc/93/12/59/642931259.db2.gz FQEAUBRFLRFPPS-OAHLLOKOSA-N 1 0 261.365 2.262 20 10 CECDRO c1cc2c(cc1C[NH2+][C@@H]1C[C@H]3CC[C@@H]1O3)CCCO2 ZINC000922217912 642963359 /nfs/dbraw/zinc/96/33/59/642963359.db2.gz UHIAPUWPGKJGLH-FMKPAKJESA-N 1 0 259.349 2.421 20 10 CECDRO COC[C@@H](C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)OC ZINC000851732253 643132764 /nfs/dbraw/zinc/13/27/64/643132764.db2.gz MXZCKCJHHUOAPW-QGZVFWFLSA-N 1 0 292.423 2.378 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCN2C)cc1 ZINC000922576573 643136263 /nfs/dbraw/zinc/13/62/63/643136263.db2.gz UBOWRQVXKQFVPQ-DWTRPJMMSA-N 1 0 259.397 2.060 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCN(CC)C1=O ZINC000851792411 643164558 /nfs/dbraw/zinc/16/45/58/643164558.db2.gz OGEPNHIDFLPZJM-AWEZNQCLSA-N 1 0 276.380 2.225 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(O)c1 ZINC000877623014 650819043 /nfs/dbraw/zinc/81/90/43/650819043.db2.gz GVLJGIJCHPXWLG-PJIJBLCYSA-N 1 0 281.421 2.480 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)ccc1N(C)C ZINC000852538233 643463546 /nfs/dbraw/zinc/46/35/46/643463546.db2.gz VCWUKLVYTJXRNU-GOEBONIOSA-N 1 0 260.381 2.018 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCO[C@@H]2CCOC2)c(Cl)c1 ZINC000922936790 643463585 /nfs/dbraw/zinc/46/35/85/643463585.db2.gz MYYCHNNZIFTGEO-LLVKDONJSA-N 1 0 285.771 2.249 20 10 CECDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N(C)C)c(C)c2)C1 ZINC000852696970 643515740 /nfs/dbraw/zinc/51/57/40/643515740.db2.gz VNZGWCZEKZUPJA-GASCZTMLSA-N 1 0 290.407 2.444 20 10 CECDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000877674604 650845538 /nfs/dbraw/zinc/84/55/38/650845538.db2.gz NBPCREXTLZBXNW-AWEZNQCLSA-N 1 0 280.343 2.022 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c(O)c1 ZINC000877681032 650846390 /nfs/dbraw/zinc/84/63/90/650846390.db2.gz COSAGMUZOMSIGN-XNHWPECASA-N 1 0 259.349 2.214 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H](C)C[C@H]2C[NH3+])c1O ZINC000852758910 643540840 /nfs/dbraw/zinc/54/08/40/643540840.db2.gz HBEJUBGINOOHFJ-YGRLFVJLSA-N 1 0 294.370 2.293 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC2(C)C)cc1 ZINC000852790914 643552434 /nfs/dbraw/zinc/55/24/34/643552434.db2.gz CAIQHUJESSRHDN-LSDHHAIUSA-N 1 0 289.423 2.305 20 10 CECDRO CSC(C)(C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792256 643553645 /nfs/dbraw/zinc/55/36/45/643553645.db2.gz UBHIEZZKOUMWRG-ZDUSSCGKSA-N 1 0 295.452 2.010 20 10 CECDRO Cc1cc(CN2CCCC[C@@H]2C[NH3+])ccc1N(C)C ZINC000923282738 643638374 /nfs/dbraw/zinc/63/83/74/643638374.db2.gz XEOUMITXXOEPGJ-OAHLLOKOSA-N 1 0 261.413 2.374 20 10 CECDRO Cc1cccc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1O ZINC000877694059 650855000 /nfs/dbraw/zinc/85/50/00/650855000.db2.gz YMWJNKXGMQVMMN-NWDGAFQWSA-N 1 0 289.297 2.303 20 10 CECDRO CCn1nccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000853242020 643720001 /nfs/dbraw/zinc/72/00/01/643720001.db2.gz ZENNSFVTJMGHOP-CYBMUJFWSA-N 1 0 257.337 2.386 20 10 CECDRO COC(=O)C1CC([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000877724488 650872602 /nfs/dbraw/zinc/87/26/02/650872602.db2.gz WNCSTBSCBIDXKB-SNAWJCMRSA-N 1 0 288.391 2.307 20 10 CECDRO Cc1cc(C)c(O)c(C[N@H+](C)CC(=O)NC(C)(C)C)c1 ZINC000111891026 643981388 /nfs/dbraw/zinc/98/13/88/643981388.db2.gz JJFYJCPCRNMBES-UHFFFAOYSA-N 1 0 278.396 2.356 20 10 CECDRO CCOC(=O)CC(C)(C)C[NH2+]Cc1ccccc1O ZINC000838921403 644069764 /nfs/dbraw/zinc/06/97/64/644069764.db2.gz AOLOYCYGLDZPOF-UHFFFAOYSA-N 1 0 265.353 2.461 20 10 CECDRO CCOc1cccc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1O ZINC000877743512 650888993 /nfs/dbraw/zinc/88/89/93/650888993.db2.gz KWHPFIOUOMAFIH-UKRRQHHQSA-N 1 0 290.407 2.317 20 10 CECDRO CCN(CC)c1ccc(C[NH+]2CC(CCO)C2)cc1F ZINC000839139994 644171653 /nfs/dbraw/zinc/17/16/53/644171653.db2.gz HRHGSBRJHOBXEF-UHFFFAOYSA-N 1 0 280.387 2.486 20 10 CECDRO CCOc1cccc(C[NH+]2CC(C(F)F)C2)c1O ZINC000839140818 644171938 /nfs/dbraw/zinc/17/19/38/644171938.db2.gz IFZDHVFOBYZSQF-UHFFFAOYSA-N 1 0 257.280 2.488 20 10 CECDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)c1ccccc1O ZINC000877758114 650900329 /nfs/dbraw/zinc/90/03/29/650900329.db2.gz JNEJWZZLYUNATF-AGIUHOORSA-N 1 0 276.380 2.490 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000855162523 644261577 /nfs/dbraw/zinc/26/15/77/644261577.db2.gz XVZHZJGLCGAHLS-SNVBAGLBSA-N 1 0 282.409 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ZINC000761216418 645258415 /nfs/dbraw/zinc/25/84/15/645258415.db2.gz RARYOOHTLAIBII-UHFFFAOYSA-N 1 0 293.754 2.442 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCc2ncnn21 ZINC000878151874 651014931 /nfs/dbraw/zinc/01/49/31/651014931.db2.gz REICNIFAZHSCGJ-CQSZACIVSA-N 1 0 286.379 2.383 20 10 CECDRO C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc(F)ccc1O ZINC000763559094 645557693 /nfs/dbraw/zinc/55/76/93/645557693.db2.gz QPGNUPFHWGBXJE-ABAIWWIYSA-N 1 0 297.370 2.360 20 10 CECDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000860089595 645697583 /nfs/dbraw/zinc/69/75/83/645697583.db2.gz DPVVEIDYZKPMON-UKRRQHHQSA-N 1 0 262.397 2.345 20 10 CECDRO COC[C@@]1(C)C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCO1 ZINC000860199167 645733938 /nfs/dbraw/zinc/73/39/38/645733938.db2.gz GKBBUEZOBMPDEM-QGZVFWFLSA-N 1 0 292.423 2.298 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(N(C)C)cc1 ZINC000765250308 645747852 /nfs/dbraw/zinc/74/78/52/645747852.db2.gz JCCMBIGQXUVDHI-HZPDHXFCSA-N 1 0 278.396 2.209 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2COCCO2)cc1 ZINC000765251977 645748341 /nfs/dbraw/zinc/74/83/41/645748341.db2.gz QNJDPNJXUJFXGC-CZUORRHYSA-N 1 0 278.396 2.209 20 10 CECDRO CC[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000765754758 645804041 /nfs/dbraw/zinc/80/40/41/645804041.db2.gz QXLCWHWGSLKAPP-OAHLLOKOSA-N 1 0 298.452 2.228 20 10 CECDRO CC[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000765754757 645804217 /nfs/dbraw/zinc/80/42/17/645804217.db2.gz QXLCWHWGSLKAPP-HNNXBMFYSA-N 1 0 298.452 2.228 20 10 CECDRO Oc1ccccc1C[N@@H+](Cc1cn[nH]c1)C[C@@H]1CCCO1 ZINC000768161534 646091639 /nfs/dbraw/zinc/09/16/39/646091639.db2.gz GTVKIBYNZZBHEI-HNNXBMFYSA-N 1 0 287.363 2.297 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768444582 646123454 /nfs/dbraw/zinc/12/34/54/646123454.db2.gz MNJANGOANKXSCW-ABAIWWIYSA-N 1 0 277.364 2.440 20 10 CECDRO CC(C)OCCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768449504 646124828 /nfs/dbraw/zinc/12/48/28/646124828.db2.gz ZWJZDNIZUXQDBP-HNNXBMFYSA-N 1 0 295.379 2.065 20 10 CECDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)c(O)cc1C ZINC000768452032 646124903 /nfs/dbraw/zinc/12/49/03/646124903.db2.gz NJFWCHDQTKQZJG-HNNXBMFYSA-N 1 0 290.407 2.379 20 10 CECDRO CC[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464197 646126300 /nfs/dbraw/zinc/12/63/00/646126300.db2.gz ODTCSGVSHMRFQT-QMTHXVAHSA-N 1 0 263.337 2.050 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768462032 646126317 /nfs/dbraw/zinc/12/63/17/646126317.db2.gz ZXHOXVUSMSETRH-SECBINFHSA-N 1 0 269.728 2.041 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC3(CCC3)C1)[C@@H](O)CO2 ZINC000768463330 646126877 /nfs/dbraw/zinc/12/68/77/646126877.db2.gz HAZWBFNNGRJTBO-AWEZNQCLSA-N 1 0 275.348 2.194 20 10 CECDRO CCOc1ccc(C[N@H+](C)CCc2noc(C)n2)c(O)c1 ZINC000769247454 646229841 /nfs/dbraw/zinc/22/98/41/646229841.db2.gz ZGNTYFOUXGSWAV-UHFFFAOYSA-N 1 0 291.351 2.157 20 10 CECDRO C[C@@H]1COCCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000769458421 646271001 /nfs/dbraw/zinc/27/10/01/646271001.db2.gz UGLFMBADVMPEJZ-OAHLLOKOSA-N 1 0 290.407 2.134 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000769517202 646281296 /nfs/dbraw/zinc/28/12/96/646281296.db2.gz ZXLJKGMAUNJUFW-QWHCGFSZSA-N 1 0 277.364 2.259 20 10 CECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(OCC)cc1O ZINC000769937165 646336858 /nfs/dbraw/zinc/33/68/58/646336858.db2.gz NJBJYWJGKHXANV-LQPUYASZSA-N 1 0 265.353 2.208 20 10 CECDRO Cc1ccc(C(=O)OCC[NH+]2CCCCC2)c(O)c1O ZINC000770360313 646382716 /nfs/dbraw/zinc/38/27/16/646382716.db2.gz SFVMFDYDIXLELS-UHFFFAOYSA-N 1 0 279.336 2.049 20 10 CECDRO CN(C)c1cc(F)c(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1F ZINC000862375080 646425012 /nfs/dbraw/zinc/42/50/12/646425012.db2.gz WTUYTEKADLLUKK-BDJLRTHQSA-N 1 0 295.377 2.167 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)[C@]2(CO)CCOC2)cc1 ZINC000862426801 646456520 /nfs/dbraw/zinc/45/65/20/646456520.db2.gz OZEHLOLRKYVASA-KRWDZBQOSA-N 1 0 292.423 2.116 20 10 CECDRO C[C@](CO)([NH2+]Cc1ccc2c(c1)CCO2)c1cccc(O)c1 ZINC000862431169 646457855 /nfs/dbraw/zinc/45/78/55/646457855.db2.gz DYADDTRIAKZSDK-GOSISDBHSA-N 1 0 299.370 2.324 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000862465596 646470104 /nfs/dbraw/zinc/47/01/04/646470104.db2.gz RTMHLPCYNRSANN-LBPRGKRZSA-N 1 0 281.739 2.397 20 10 CECDRO CCc1cccc(C[N@@H+]2CCO[C@@](C)(COC)C2)c1O ZINC000862552400 646496235 /nfs/dbraw/zinc/49/62/35/646496235.db2.gz XRTQNVFRVNJCNF-MRXNPFEDSA-N 1 0 279.380 2.192 20 10 CECDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000773021717 646697270 /nfs/dbraw/zinc/69/72/70/646697270.db2.gz BJOUXAQYAAFXPV-WFASDCNBSA-N 1 0 275.396 2.024 20 10 CECDRO C[C@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000863545938 646753072 /nfs/dbraw/zinc/75/30/72/646753072.db2.gz BSKMDTSUETVQDL-IQJOONFLSA-N 1 0 250.317 2.031 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000773730216 646770293 /nfs/dbraw/zinc/77/02/93/646770293.db2.gz MAFOBDZAHXWYOY-MRXNPFEDSA-N 1 0 262.397 2.490 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)C2(C(N)=O)CCCC2)cc1 ZINC000773808125 646776627 /nfs/dbraw/zinc/77/66/27/646776627.db2.gz ZYXHJOKILZWMGT-UHFFFAOYSA-N 1 0 289.423 2.373 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC000863865621 646838840 /nfs/dbraw/zinc/83/88/40/646838840.db2.gz IGTORJGPNNLKOF-LLVKDONJSA-N 1 0 292.379 2.062 20 10 CECDRO C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccccc1O ZINC000775136650 646926089 /nfs/dbraw/zinc/92/60/89/646926089.db2.gz NFSDTXZQOZPRAP-STQMWFEESA-N 1 0 265.353 2.238 20 10 CECDRO CC[C@H]([NH2+]CCCOCCO)c1cc(Cl)ccc1O ZINC000775548436 646964061 /nfs/dbraw/zinc/96/40/61/646964061.db2.gz ROZJBPJJMJTZPK-ZDUSSCGKSA-N 1 0 287.787 2.485 20 10 CECDRO Cc1cc(Cl)cc(CN2CC[NH2+][C@@H](C)C2)c1O ZINC000775639268 646975183 /nfs/dbraw/zinc/97/51/83/646975183.db2.gz RSHCKNALTALMPB-JTQLQIEISA-N 1 0 254.761 2.148 20 10 CECDRO COc1ccc(O)c(C[N@H+](CCO)CC(C)(C)C)c1 ZINC000775680926 646980054 /nfs/dbraw/zinc/98/00/54/646980054.db2.gz LGDHBUSJGYSACF-UHFFFAOYSA-N 1 0 267.369 2.241 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1O ZINC000775687102 646980650 /nfs/dbraw/zinc/98/06/50/646980650.db2.gz VQWBWXMQTXBBCN-HNNXBMFYSA-N 1 0 288.391 2.287 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)[C@@H](C)CN1C ZINC000775986253 647013266 /nfs/dbraw/zinc/01/32/66/647013266.db2.gz QOUNBRDGGGNPSG-KGLIPLIRSA-N 1 0 261.413 2.277 20 10 CECDRO COc1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c(O)cc1C ZINC000776769207 647088941 /nfs/dbraw/zinc/08/89/41/647088941.db2.gz TUJXOYUDUWEHDE-MRXNPFEDSA-N 1 0 277.364 2.320 20 10 CECDRO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(F)ccc1O ZINC000779100381 647288229 /nfs/dbraw/zinc/28/82/29/647288229.db2.gz PKSVZLMCFCPGEL-OAHLLOKOSA-N 1 0 293.313 2.364 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2ccc(=O)[nH]c2)cc1F ZINC000865437189 647292129 /nfs/dbraw/zinc/29/21/29/647292129.db2.gz CFVAMSYITRFORU-UHFFFAOYSA-N 1 0 275.327 2.282 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cncc(OC)c2C)c1 ZINC000865464058 647306509 /nfs/dbraw/zinc/30/65/09/647306509.db2.gz RGIISUVGBDQEEU-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO C[NH+]1CCC(n2cc(NCc3ccccc3O)cn2)CC1 ZINC000865704465 647431327 /nfs/dbraw/zinc/43/13/27/647431327.db2.gz UYQRGIYITPIQKL-UHFFFAOYSA-N 1 0 286.379 2.468 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)C(F)(F)F ZINC000865711618 647433766 /nfs/dbraw/zinc/43/37/66/647433766.db2.gz PKGWFZRXYPBRAZ-UFBFGSQYSA-N 1 0 275.270 2.023 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)c2ccnn2C)c1O ZINC000865838953 647485856 /nfs/dbraw/zinc/48/58/56/647485856.db2.gz DXGNRLLCCFZSIO-LLVKDONJSA-N 1 0 275.352 2.375 20 10 CECDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000782981105 647667731 /nfs/dbraw/zinc/66/77/31/647667731.db2.gz XXUBWTOMXYGDPR-GHMZBOCLSA-N 1 0 254.349 2.141 20 10 CECDRO CC[C@@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000783317501 647708239 /nfs/dbraw/zinc/70/82/39/647708239.db2.gz SXLLIYFCAQYRFV-ATZCPNFKSA-N 1 0 253.317 2.440 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCNC2=O)c2c1c(F)ccc2O ZINC000840826178 647716978 /nfs/dbraw/zinc/71/69/78/647716978.db2.gz RYEILTMQNIMCPC-CKYFFXLPSA-N 1 0 292.354 2.195 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000866297857 647721559 /nfs/dbraw/zinc/72/15/59/647721559.db2.gz OCHJPWVBZGFQNC-IMJJTQAJSA-N 1 0 289.375 2.448 20 10 CECDRO CC[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1O ZINC000121095812 647812172 /nfs/dbraw/zinc/81/21/72/647812172.db2.gz XMUGRPADFOTJNX-AWEZNQCLSA-N 1 0 297.420 2.258 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1F ZINC000784656198 647871996 /nfs/dbraw/zinc/87/19/96/647871996.db2.gz JCOCWAUICHMQBX-GFCCVEGCSA-N 1 0 266.360 2.408 20 10 CECDRO CN(C)c1ccc(CNC(=O)c2ccc3c[nH+]cn3c2)cc1 ZINC000785704527 647950084 /nfs/dbraw/zinc/95/00/84/647950084.db2.gz ADOSUWODSGHOKT-UHFFFAOYSA-N 1 0 294.358 2.330 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C)c2O)[C@H]1C ZINC000787420885 648107642 /nfs/dbraw/zinc/10/76/42/648107642.db2.gz LZZBEXWNEDRLAL-WCQYABFASA-N 1 0 263.337 2.084 20 10 CECDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1c(O)cccc1Cl ZINC000787423981 648108369 /nfs/dbraw/zinc/10/83/69/648108369.db2.gz OPKQROCPRMGDAK-BFVZDQMLSA-N 1 0 294.782 2.131 20 10 CECDRO CCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868369615 648109392 /nfs/dbraw/zinc/10/93/92/648109392.db2.gz GBBJYKVVZYOQPQ-ZDUSSCGKSA-N 1 0 293.411 2.484 20 10 CECDRO CC[C@H](C(=O)NCc1ccc(OC)cc1O)[NH+](CC)CC ZINC000794378462 648859913 /nfs/dbraw/zinc/85/99/13/648859913.db2.gz ICPOTSNQCRFRDQ-CQSZACIVSA-N 1 0 294.395 2.137 20 10 CECDRO C[NH+](C)C1(C)CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000871360330 649071298 /nfs/dbraw/zinc/07/12/98/649071298.db2.gz AEIQYVDKLFGSNZ-UHFFFAOYSA-N 1 0 282.409 2.446 20 10 CECDRO COc1ccc(C[NH2+]CCCF)cc1Cn1cccn1 ZINC000873080348 649554109 /nfs/dbraw/zinc/55/41/09/649554109.db2.gz OSUJBQVKXLGAFS-UHFFFAOYSA-N 1 0 277.343 2.389 20 10 CECDRO CCC[N@H+](Cc1cnc(N)cn1)Cc1ccccc1O ZINC000873205238 649587771 /nfs/dbraw/zinc/58/77/71/649587771.db2.gz LWUDHIMYZMRKDU-UHFFFAOYSA-N 1 0 272.352 2.177 20 10 CECDRO CCN(CC)c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873217356 649594163 /nfs/dbraw/zinc/59/41/63/649594163.db2.gz JYURRQZHCRUNOZ-IYBDPMFKSA-N 1 0 273.424 2.469 20 10 CECDRO Cc1cc(O)c(CN[C@@]23CCC[C@H]2[NH2+]CC3)cc1C ZINC000873230174 649601053 /nfs/dbraw/zinc/60/10/53/649601053.db2.gz NBUCTZRAQYHXKO-HZPDHXFCSA-N 1 0 260.381 2.383 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 ZINC000020208537 649739742 /nfs/dbraw/zinc/73/97/42/649739742.db2.gz IEBBKHYDBSJTRF-RHSMWYFYSA-N 1 0 290.407 2.180 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CCc2ncnn21)c1ccc(N(C)C)cc1 ZINC000878454348 651100900 /nfs/dbraw/zinc/10/09/00/651100900.db2.gz CDMFWTQEPNEAHU-WFASDCNBSA-N 1 0 285.395 2.182 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1ccccc1O ZINC000879648965 651335198 /nfs/dbraw/zinc/33/51/98/651335198.db2.gz HQTIRXZHCYGWGO-NEPJUHHUSA-N 1 0 276.380 2.490 20 10 CECDRO C[C@@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccccc1O ZINC000879649760 651335211 /nfs/dbraw/zinc/33/52/11/651335211.db2.gz UIEAFOHSQYRUNF-CYBMUJFWSA-N 1 0 276.380 2.301 20 10 CECDRO CC(C)c1nnc(C[NH2+][C@H](C)c2ccccc2O)[nH]1 ZINC000879649385 651335335 /nfs/dbraw/zinc/33/53/35/651335335.db2.gz PNJUDRZCCGOJGN-SNVBAGLBSA-N 1 0 260.341 2.485 20 10 CECDRO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879648592 651335389 /nfs/dbraw/zinc/33/53/89/651335389.db2.gz VHFIKXJMSCHBCZ-NEPJUHHUSA-N 1 0 264.369 2.298 20 10 CECDRO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000880437099 651440955 /nfs/dbraw/zinc/44/09/55/651440955.db2.gz GICWJXOPCQFURA-IAGOWNOFSA-N 1 0 292.423 2.297 20 10 CECDRO Cc1cc(C[N@@H+](C)[C@@H](CC(C)C)C(N)=O)ccc1N(C)C ZINC000880591181 651466826 /nfs/dbraw/zinc/46/68/26/651466826.db2.gz APMRXTFZGGKDLB-INIZCTEOSA-N 1 0 291.439 2.393 20 10 CECDRO CCOc1cccc(C[NH2+]CC[C@H](C)[S@@](C)=O)c1O ZINC000129336507 651918404 /nfs/dbraw/zinc/91/84/04/651918404.db2.gz TVMOTDHZALTPLP-WLRWDXFRSA-N 1 0 285.409 2.038 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2ccncc2N)cc1 ZINC000882881104 652246977 /nfs/dbraw/zinc/24/69/77/652246977.db2.gz XZIANAOFOPZNPW-UHFFFAOYSA-N 1 0 256.353 2.020 20 10 CECDRO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1ccccc1O ZINC000883324483 652432837 /nfs/dbraw/zinc/43/28/37/652432837.db2.gz UOMWATSGIOHNGE-GOSISDBHSA-N 1 0 299.370 2.324 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1 ZINC000883367517 652445928 /nfs/dbraw/zinc/44/59/28/652445928.db2.gz RAVSZWANCHKLPX-JTQLQIEISA-N 1 0 299.239 2.349 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c1 ZINC000883394780 652454042 /nfs/dbraw/zinc/45/40/42/652454042.db2.gz GWGSEXBJCWQUCG-GXTWGEPZSA-N 1 0 288.391 2.362 20 10 CECDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000131890193 652479250 /nfs/dbraw/zinc/47/92/50/652479250.db2.gz LWRDNYNVFKEPTM-OLZOCXBDSA-N 1 0 296.386 2.348 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)NCC(C)C)c1 ZINC000135727311 652983839 /nfs/dbraw/zinc/98/38/39/652983839.db2.gz SPCHUVYPIXIMSN-NWDGAFQWSA-N 1 0 294.395 2.212 20 10 CECDRO c1cc(N2CCCCC2)ccc1C[NH2+]CCN1CCC1 ZINC000697358439 806342554 /nfs/dbraw/zinc/34/25/54/806342554.db2.gz NCAFFHCYQRCMLT-UHFFFAOYSA-N 1 0 273.424 2.472 20 10 CECDRO Oc1ccc(CNC2CC[NH+](CC3CC3)CC2)cc1O ZINC001168360502 806711033 /nfs/dbraw/zinc/71/10/33/806711033.db2.gz RHZSFIHSTMERKQ-UHFFFAOYSA-N 1 0 276.380 2.062 20 10 CECDRO COCCCC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140056114 802547782 /nfs/dbraw/zinc/54/77/82/802547782.db2.gz IMIAFCNVVMIWJU-UHFFFAOYSA-N 1 0 296.386 2.076 20 10 CECDRO C/C=C(\C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001125448988 802773334 /nfs/dbraw/zinc/77/33/34/802773334.db2.gz CSUQAPVFFMWRTG-LFYBBSHMSA-N 1 0 276.380 2.176 20 10 CECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@H](O)C[NH3+])n2)cc1 ZINC001211417605 802816913 /nfs/dbraw/zinc/81/69/13/802816913.db2.gz HQSQOKJIEYCMAK-CQSZACIVSA-N 1 0 298.346 2.136 20 10 CECDRO CN(Cc1c(O)cccc1Br)C[C@@H]1CCC[NH2+]1 ZINC000706867278 802846704 /nfs/dbraw/zinc/84/67/04/802846704.db2.gz YYGSDNWXLSSUBO-JTQLQIEISA-N 1 0 299.212 2.339 20 10 CECDRO COC[C@H](CC[NH2+][C@H](C)c1cc(C)ccc1O)OC ZINC000694308449 803530062 /nfs/dbraw/zinc/53/00/62/803530062.db2.gz HTZMDIZDVLUYKO-OLZOCXBDSA-N 1 0 267.369 2.403 20 10 CECDRO CN(Cc1ccccc1O)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000694660954 803577943 /nfs/dbraw/zinc/57/79/43/803577943.db2.gz JHFVIVQMZSDISX-UHFFFAOYSA-N 1 0 274.364 2.012 20 10 CECDRO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]21 ZINC001141159018 803761028 /nfs/dbraw/zinc/76/10/28/803761028.db2.gz WAAIWSLAQZHCEN-WPGHFRTFSA-N 1 0 277.364 2.345 20 10 CECDRO CCN1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1=O ZINC000722351312 804342333 /nfs/dbraw/zinc/34/23/33/804342333.db2.gz AXKFSXVRVWJJQH-GFCCVEGCSA-N 1 0 282.771 2.146 20 10 CECDRO OC[C@]1(F)CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233452369 807408124 /nfs/dbraw/zinc/40/81/24/807408124.db2.gz UEHOFZXBUSAZGJ-LBPRGKRZSA-N 1 0 293.260 2.317 20 10 CECDRO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(N(C)C)cc1 ZINC000716699073 815143232 /nfs/dbraw/zinc/14/32/32/815143232.db2.gz OWGFWCJQSDVDIF-ZWNOBZJWSA-N 1 0 272.339 2.419 20 10 CECDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000716889111 815157548 /nfs/dbraw/zinc/15/75/48/815157548.db2.gz XSWDKRCVGKSNJX-AWEZNQCLSA-N 1 0 250.386 2.393 20 10 CECDRO Cc1cc(O)c(CN2C[C@@H]3CC[C@]3([NH3+])C2)cc1Cl ZINC001235986764 807906871 /nfs/dbraw/zinc/90/68/71/807906871.db2.gz CXTXWMIRRGIPQA-FZMZJTMJSA-N 1 0 266.772 2.277 20 10 CECDRO CCC[C@H](CCO)[NH2+]Cc1cc(OC)ccc1O ZINC000716895858 815158242 /nfs/dbraw/zinc/15/82/42/815158242.db2.gz UHQNIEJFWKCJKT-GFCCVEGCSA-N 1 0 253.342 2.042 20 10 CECDRO CCC1([NH3+])CN(Cc2cc(Br)ccc2O)C1 ZINC001236185191 808008804 /nfs/dbraw/zinc/00/88/04/808008804.db2.gz ABRYPMFSXCBLLF-UHFFFAOYSA-N 1 0 285.185 2.078 20 10 CECDRO COC(=O)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC001120039737 815191574 /nfs/dbraw/zinc/19/15/74/815191574.db2.gz LREPMUHBFMDIJV-UHFFFAOYSA-N 1 0 275.348 2.054 20 10 CECDRO CC[NH+](CC)CCN(CCOC)Cc1ccc(N)cc1 ZINC001120371101 815217091 /nfs/dbraw/zinc/21/70/91/815217091.db2.gz QFRAMPPDWJAQDC-UHFFFAOYSA-N 1 0 279.428 2.059 20 10 CECDRO O=C1N(c2ccccc2)CC12C[NH+](Cc1ccccc1O)C2 ZINC001203557147 808700389 /nfs/dbraw/zinc/70/03/89/808700389.db2.gz ZWMUZHCQNQUPGI-UHFFFAOYSA-N 1 0 294.354 2.241 20 10 CECDRO CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000700782529 809348756 /nfs/dbraw/zinc/34/87/56/809348756.db2.gz OMDQMQTVRZIUPL-NSHDSACASA-N 1 0 284.350 2.490 20 10 CECDRO Cc1nc(CN2CCCc3cc(C[NH3+])ccc32)co1 ZINC000700922030 809372695 /nfs/dbraw/zinc/37/26/95/809372695.db2.gz ABTVXUUDTQAHJV-UHFFFAOYSA-N 1 0 257.337 2.395 20 10 CECDRO CN(CC[NH+](C)C)Cc1ccc(Br)cc1O ZINC000700928353 809372726 /nfs/dbraw/zinc/37/27/26/809372726.db2.gz MNSRSDJRJZLBRN-UHFFFAOYSA-N 1 0 287.201 2.148 20 10 CECDRO C[NH+](C)CCC[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000703616955 809670725 /nfs/dbraw/zinc/67/07/25/809670725.db2.gz LBLBDNMHFREYMW-UHFFFAOYSA-N 1 0 258.312 2.054 20 10 CECDRO CC(C)(CO)[NH2+]Cc1c(O)cccc1Br ZINC000706828460 809856068 /nfs/dbraw/zinc/85/60/68/809856068.db2.gz DQRTWZFVIGQPGA-UHFFFAOYSA-N 1 0 274.158 2.015 20 10 CECDRO O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CCN1C1CCC1 ZINC000708678219 809933122 /nfs/dbraw/zinc/93/31/22/809933122.db2.gz ZIDWGLZOZSZRJI-ZDUSSCGKSA-N 1 0 294.782 2.289 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709827396 809971766 /nfs/dbraw/zinc/97/17/66/809971766.db2.gz KXUZVIROQIEJLO-OAHLLOKOSA-N 1 0 264.344 2.107 20 10 CECDRO Oc1cccc(F)c1CN1CCC([NH+]2CCC2)CC1 ZINC001137841896 810020216 /nfs/dbraw/zinc/02/02/16/810020216.db2.gz ZCCBREGACYHKIK-UHFFFAOYSA-N 1 0 264.344 2.201 20 10 CECDRO Oc1cccc2c1C[N@@H+](C1C[C@@H]3C=C[C@H](C1)O3)CC2 ZINC001172242848 815356348 /nfs/dbraw/zinc/35/63/48/815356348.db2.gz DGAHTELYMBBYIA-AGUYFDCRSA-N 1 0 257.333 2.236 20 10 CECDRO CC1=NO[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000822324376 810581038 /nfs/dbraw/zinc/58/10/38/810581038.db2.gz JWEHNICFKYTPFM-SECBINFHSA-N 1 0 254.717 2.300 20 10 CECDRO CC1(C)C[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CO1 ZINC001172293864 815385728 /nfs/dbraw/zinc/38/57/28/815385728.db2.gz SXGIBIOMRAQCDW-ZDUSSCGKSA-N 1 0 277.364 2.414 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1O ZINC001168982084 811310409 /nfs/dbraw/zinc/31/04/09/811310409.db2.gz IKVJRLGUQSKPPG-IJLUTSLNSA-N 1 0 264.325 2.488 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCN(C(C)=O)[C@@H](C)C2)cc1C ZINC001044391918 811481133 /nfs/dbraw/zinc/48/11/33/811481133.db2.gz AIGBKMDZMVZKMS-BBRMVZONSA-N 1 0 290.407 2.493 20 10 CECDRO CCN(CC)C(=O)C[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC001169483906 811529126 /nfs/dbraw/zinc/52/91/26/811529126.db2.gz HFXXJBIBWDHNCG-CYBMUJFWSA-N 1 0 278.396 2.471 20 10 CECDRO Cc1cc(N(C)C)[nH+]cc1NCc1ccc(O)c(O)c1 ZINC001169994842 811873791 /nfs/dbraw/zinc/87/37/91/811873791.db2.gz KDNKKOSVOYBVBL-UHFFFAOYSA-N 1 0 273.336 2.479 20 10 CECDRO CCc1cccc(C[NH2+][C@H](CO)CC(C)C)c1O ZINC000691485350 811951521 /nfs/dbraw/zinc/95/15/21/811951521.db2.gz ZHNNCWHCYOEGPV-AWEZNQCLSA-N 1 0 251.370 2.451 20 10 CECDRO CCc1cccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)c1O ZINC000691501383 811961269 /nfs/dbraw/zinc/96/12/69/811961269.db2.gz WQZLSEIRVXKBDI-ADLMAVQZSA-N 1 0 269.410 2.201 20 10 CECDRO CN(c1ccc2c(c1)NC(=O)NC2(C)C)C(C)(C)C[NH3+] ZINC001170060222 812018704 /nfs/dbraw/zinc/01/87/04/812018704.db2.gz LMTSONYPLYPKGW-UHFFFAOYSA-N 1 0 276.384 2.230 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206174515 815503396 /nfs/dbraw/zinc/50/33/96/815503396.db2.gz NNPZXZFIBZWECQ-KGLIPLIRSA-N 1 0 266.360 2.270 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2O)C1 ZINC001170559625 812667969 /nfs/dbraw/zinc/66/79/69/812667969.db2.gz CJGMKNLEZMCNFC-YPMHNXCESA-N 1 0 263.337 2.166 20 10 CECDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001172924076 815546109 /nfs/dbraw/zinc/54/61/09/815546109.db2.gz REIQKYWBIPHPQS-NEPJUHHUSA-N 1 0 251.326 2.145 20 10 CECDRO CO[C@@H]1CCC[C@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001172922701 815546341 /nfs/dbraw/zinc/54/63/41/815546341.db2.gz GTKCUURWNLXMJC-QWHCGFSZSA-N 1 0 265.353 2.188 20 10 CECDRO C[C@@H]1CN(Cc2cccc(OC(F)(F)F)c2O)C[C@H]1[NH3+] ZINC001206070661 812790284 /nfs/dbraw/zinc/79/02/84/812790284.db2.gz OWZSYSPYTMGDSU-PSASIEDQSA-N 1 0 290.285 2.070 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2C[C@H]2C)cc1C ZINC001133357359 813036173 /nfs/dbraw/zinc/03/61/73/813036173.db2.gz XEJDDESSABZSTA-DOMZBBRYSA-N 1 0 290.407 2.256 20 10 CECDRO COCC(COC)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000388509846 813240147 /nfs/dbraw/zinc/24/01/47/813240147.db2.gz QKLHJSDKAYPKBC-LBPRGKRZSA-N 1 0 266.385 2.065 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](O)CC2)c1O ZINC000394450290 813405537 /nfs/dbraw/zinc/40/55/37/813405537.db2.gz OSDNZJJYPAQRAM-ZDUSSCGKSA-N 1 0 281.327 2.081 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CS[C@@H](C)C2)c1O ZINC000397976658 813650119 /nfs/dbraw/zinc/65/01/19/813650119.db2.gz PIJHWWZXFHOLGM-ONGXEEELSA-N 1 0 253.367 2.384 20 10 CECDRO COc1ccc2c(c1)C[N@@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144509355 814098482 /nfs/dbraw/zinc/09/84/82/814098482.db2.gz UNAMKEQPGOGOLV-UHFFFAOYSA-N 1 0 287.315 2.328 20 10 CECDRO c1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc2c1OCC2 ZINC000691452863 814595271 /nfs/dbraw/zinc/59/52/71/814595271.db2.gz UAVVIKSPFZQBCA-GOEBONIOSA-N 1 0 259.349 2.279 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c1O ZINC000713480297 814858022 /nfs/dbraw/zinc/85/80/22/814858022.db2.gz FSRPMKAYZFINLI-ZIAGYGMSSA-N 1 0 277.364 2.448 20 10 CECDRO C[C@H]([NH2+][C@H]1CCN(C2CC2)C1=O)c1ccc(N(C)C)cc1 ZINC001116673900 814874333 /nfs/dbraw/zinc/87/43/33/814874333.db2.gz QICMWGHIJBCKBL-LRDDRELGSA-N 1 0 287.407 2.167 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c2ccccc2n1C ZINC001138252839 815754680 /nfs/dbraw/zinc/75/46/80/815754680.db2.gz WHQKDFAOKTXWJG-ZBFHGGJFSA-N 1 0 276.355 2.391 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c2ccccc2n1C ZINC001138258050 815755933 /nfs/dbraw/zinc/75/59/33/815755933.db2.gz JMDCHHKAVMSMKY-BBRMVZONSA-N 1 0 297.402 2.055 20 10 CECDRO CC[N@H+](CCN(C)C)Cc1ccc2c(c1)CCCN2C ZINC001138354574 815773276 /nfs/dbraw/zinc/77/32/76/815773276.db2.gz NVNLBVVKZAPBTP-UHFFFAOYSA-N 1 0 275.440 2.453 20 10 CECDRO CN1CCCc2cc(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)ccc21 ZINC001138355044 815774854 /nfs/dbraw/zinc/77/48/54/815774854.db2.gz ZTVSWALVJOYSOS-IYBDPMFKSA-N 1 0 272.392 2.432 20 10 CECDRO CCN(CC)c1ccc(C[NH+]2CCC(O)CC2)c(OC)c1 ZINC001138387786 815786930 /nfs/dbraw/zinc/78/69/30/815786930.db2.gz LFGZUOMUAMPGQC-UHFFFAOYSA-N 1 0 292.423 2.498 20 10 CECDRO CC(C)[N@H+](CCCO)Cc1ccc(N2CCOCC2)cc1 ZINC001138497895 815815829 /nfs/dbraw/zinc/81/58/29/815815829.db2.gz OQEFUUSPIPFPJN-UHFFFAOYSA-N 1 0 292.423 2.116 20 10 CECDRO CC[NH+](CC)CCN(C)Cc1cc(F)ccc1O ZINC001140053056 816177397 /nfs/dbraw/zinc/17/73/97/816177397.db2.gz NABLDPAUOWZPEA-UHFFFAOYSA-N 1 0 254.349 2.305 20 10 CECDRO C[N@@H+]1CCC[C@H]2CN(Cc3cc(F)ccc3O)C[C@@H]21 ZINC001140060253 816180750 /nfs/dbraw/zinc/18/07/50/816180750.db2.gz RHSIUHYZUFBORW-FZMZJTMJSA-N 1 0 264.344 2.057 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCC(n3cnnc3)CC2)c1O ZINC001140184477 816205701 /nfs/dbraw/zinc/20/57/01/816205701.db2.gz WBHIHAHQAKOCQR-UHFFFAOYSA-N 1 0 286.379 2.438 20 10 CECDRO Cc1ccc(C)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1O ZINC001140182295 816206051 /nfs/dbraw/zinc/20/60/51/816206051.db2.gz NQDWGKKYCXVXHF-OKILXGFUSA-N 1 0 260.381 2.002 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCc3ncn(C)c3C2)c1O ZINC001140185417 816207186 /nfs/dbraw/zinc/20/71/86/816207186.db2.gz UZOBNEVZKYQYAC-UHFFFAOYSA-N 1 0 271.364 2.301 20 10 CECDRO O=C1CCC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)N1 ZINC001140342477 816238281 /nfs/dbraw/zinc/23/82/81/816238281.db2.gz LEHPTCMTVNBOJA-UHFFFAOYSA-N 1 0 294.782 2.290 20 10 CECDRO Oc1cccc(Cl)c1CN1CC([NH+]2CCCC2)C1 ZINC001140345590 816240113 /nfs/dbraw/zinc/24/01/13/816240113.db2.gz WPRSPKZGLQIJMH-UHFFFAOYSA-N 1 0 266.772 2.326 20 10 CECDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461027 816258630 /nfs/dbraw/zinc/25/86/30/816258630.db2.gz BRDRVUQXFNWFBL-CABZTGNLSA-N 1 0 255.745 2.248 20 10 CECDRO Oc1cc(Cl)ccc1C[NH+]1CCC2(C[C@H](O)CO2)CC1 ZINC001140462905 816260985 /nfs/dbraw/zinc/26/09/85/816260985.db2.gz NWUBCWBUTPUJDL-ZDUSSCGKSA-N 1 0 297.782 2.161 20 10 CECDRO C[NH+]1CC2(C1)CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140584144 816293138 /nfs/dbraw/zinc/29/31/38/816293138.db2.gz GCIHXCBAIAWYSX-UHFFFAOYSA-N 1 0 282.334 2.198 20 10 CECDRO Cc1c(O)ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1O ZINC001140746413 816341252 /nfs/dbraw/zinc/34/12/52/816341252.db2.gz YEEWZWRIRBEWLI-OAHLLOKOSA-N 1 0 290.407 2.466 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)C[C@@H]1O ZINC001140921456 816411247 /nfs/dbraw/zinc/41/12/47/816411247.db2.gz DMVDHQTUXVFKIU-HZMBPMFUSA-N 1 0 268.788 2.219 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c(O)c1 ZINC001140954012 816423980 /nfs/dbraw/zinc/42/39/80/816423980.db2.gz IWNPZAXFYKRPMH-OAHLLOKOSA-N 1 0 288.391 2.191 20 10 CECDRO Cc1ccc(C[N@H+]2CCC[C@@H]3CN(C)C[C@@H]32)c(O)c1 ZINC001140951116 816424297 /nfs/dbraw/zinc/42/42/97/816424297.db2.gz ZOBIKLUWPFQFCV-HIFRSBDPSA-N 1 0 260.381 2.227 20 10 CECDRO COc1cc(O)c(C[NH+]2CCC(C(C)=O)CC2)c(OC)c1 ZINC001141028406 816449239 /nfs/dbraw/zinc/44/92/39/816449239.db2.gz NGFWTEQUMUMETR-UHFFFAOYSA-N 1 0 293.363 2.210 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)C2)c(OC)c1 ZINC001141030610 816450400 /nfs/dbraw/zinc/45/04/00/816450400.db2.gz DKIDWPVTVDAVEH-SNVBAGLBSA-N 1 0 251.326 2.251 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CC[C@@]1(C)O ZINC001141139776 816483481 /nfs/dbraw/zinc/48/34/81/816483481.db2.gz BITUSLKJDJETAA-CXAGYDPISA-N 1 0 290.407 2.108 20 10 CECDRO CN1CCOc2cc(C[NH+]3CCC4(COC4)CC3)ccc21 ZINC001141141533 816485156 /nfs/dbraw/zinc/48/51/56/816485156.db2.gz ZSKJLVUQVMUWRY-UHFFFAOYSA-N 1 0 288.391 2.128 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC001141155786 816488709 /nfs/dbraw/zinc/48/87/09/816488709.db2.gz JREOZJFFPZWTOR-IAQYHMDHSA-N 1 0 263.337 2.099 20 10 CECDRO C[N@H+](CCc1cccnc1)Cc1cc(O)ccc1O ZINC001141159819 816489805 /nfs/dbraw/zinc/48/98/05/816489805.db2.gz LPOHJGOKIKNMDO-UHFFFAOYSA-N 1 0 258.321 2.167 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC001141158564 816490877 /nfs/dbraw/zinc/49/08/77/816490877.db2.gz FACZJQJXIRNZAP-HNNXBMFYSA-N 1 0 286.331 2.146 20 10 CECDRO C[C@]1(O)CCC[N@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142508900 816676962 /nfs/dbraw/zinc/67/69/62/816676962.db2.gz PKDKOHGQDZGKTR-AWEZNQCLSA-N 1 0 271.307 2.407 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CC[C@@]1(C)O ZINC001142508913 816677649 /nfs/dbraw/zinc/67/76/49/816677649.db2.gz PRVWSDSHPMYDQW-LKFCYVNXSA-N 1 0 271.307 2.263 20 10 CECDRO CC(=O)[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)CCO1 ZINC001143116796 816787709 /nfs/dbraw/zinc/78/77/09/816787709.db2.gz KYMVMCNEWDZKEV-HNNXBMFYSA-N 1 0 291.391 2.480 20 10 CECDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001179032415 816829897 /nfs/dbraw/zinc/82/98/97/816829897.db2.gz GBGKQXJFSAZNEU-HNNXBMFYSA-N 1 0 284.359 2.256 20 10 CECDRO CC[NH+](CC)CCn1cc(Nc2cccc(O)c2O)cn1 ZINC001203259824 816862563 /nfs/dbraw/zinc/86/25/63/816862563.db2.gz YNLQFJKWYDBPCX-UHFFFAOYSA-N 1 0 290.367 2.380 20 10 CECDRO CCOc1cccc(C[NH2+]C2CCOCC2)c1O ZINC000036319437 361841293 /nfs/dbraw/zinc/84/12/93/361841293.db2.gz DPROLRRFHDIWFC-UHFFFAOYSA-N 1 0 251.326 2.060 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccccc1O ZINC000037016935 361884623 /nfs/dbraw/zinc/88/46/23/361884623.db2.gz QNAIQPLCZIJGER-CMPLNLGQSA-N 1 0 260.341 2.323 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000038014258 361981459 /nfs/dbraw/zinc/98/14/59/361981459.db2.gz ZAKCBQDWCCDLGR-LBPRGKRZSA-N 1 0 276.380 2.016 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CO)c1O ZINC000132097899 366117710 /nfs/dbraw/zinc/11/77/10/366117710.db2.gz DQCWKYHCFMPLHR-QMMMGPOBSA-N 1 0 271.744 2.061 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000002554125 361239224 /nfs/dbraw/zinc/23/92/24/361239224.db2.gz YQLSYWKUCIJCSI-NSHDSACASA-N 1 0 286.169 2.423 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2(C)COC2)cc1F ZINC000113342863 364888627 /nfs/dbraw/zinc/88/86/27/364888627.db2.gz ZLOFSHHTLWVLHJ-UHFFFAOYSA-N 1 0 252.333 2.018 20 10 CECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](C)O ZINC000179619008 368345277 /nfs/dbraw/zinc/34/52/77/368345277.db2.gz LIFGMVFNYSNHOB-SECBINFHSA-N 1 0 288.185 2.357 20 10 CECDRO CC(C)[N@H+](CC(N)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000179656981 368346984 /nfs/dbraw/zinc/34/69/84/368346984.db2.gz CRLUKLLLNOJPCJ-UHFFFAOYSA-N 1 0 289.423 2.373 20 10 CECDRO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccccc1O ZINC000179885056 368356108 /nfs/dbraw/zinc/35/61/08/368356108.db2.gz VPTBCHOUTHXVDG-GFCCVEGCSA-N 1 0 259.353 2.409 20 10 CECDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1=O ZINC000179895950 368356874 /nfs/dbraw/zinc/35/68/74/368356874.db2.gz SEODMLLVZASLGJ-WCQYABFASA-N 1 0 262.353 2.052 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2CC(=O)OC)c1O ZINC000179891241 368357378 /nfs/dbraw/zinc/35/73/78/368357378.db2.gz SMQGFBAAOGQFCL-ZDUSSCGKSA-N 1 0 293.363 2.318 20 10 CECDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180220024 368373313 /nfs/dbraw/zinc/37/33/13/368373313.db2.gz KCPFOICPFMELGA-LLVKDONJSA-N 1 0 296.798 2.312 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000180849404 368399110 /nfs/dbraw/zinc/39/91/10/368399110.db2.gz PILDVKYLVYQOGD-KRWDZBQOSA-N 1 0 287.334 2.455 20 10 CECDRO COc1cc(O)c(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1OC ZINC000180700923 368393585 /nfs/dbraw/zinc/39/35/85/368393585.db2.gz FRMZVGRFCXCLKT-YPMHNXCESA-N 1 0 295.379 2.002 20 10 CECDRO COCCCN(C)CC[NH2+][C@H](C)c1ccccc1O ZINC000183531186 368630912 /nfs/dbraw/zinc/63/09/12/368630912.db2.gz DXVHRBXYOAEKHA-CYBMUJFWSA-N 1 0 266.385 2.011 20 10 CECDRO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188107062 369297334 /nfs/dbraw/zinc/29/73/34/369297334.db2.gz MTIOLXGPGOMBSG-QWHCGFSZSA-N 1 0 296.386 2.348 20 10 CECDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccccc2O)c1 ZINC000189017261 369443734 /nfs/dbraw/zinc/44/37/34/369443734.db2.gz CALVMWRCGSQHGB-MRXNPFEDSA-N 1 0 271.360 2.394 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(=O)NCCF ZINC000282791848 296149752 /nfs/dbraw/zinc/14/97/52/296149752.db2.gz QGWQSNNDESBELX-DTWKUNHWSA-N 1 0 288.750 2.170 20 10 CECDRO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1O ZINC000191674013 369732278 /nfs/dbraw/zinc/73/22/78/369732278.db2.gz OLLPWFIICXHRQE-ZLDLUXBVSA-N 1 0 275.348 2.166 20 10 CECDRO Cc1cccc2c1CCCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638004103 370232353 /nfs/dbraw/zinc/23/23/53/370232353.db2.gz YGGDUANBCMRUIZ-CYBMUJFWSA-N 1 0 256.349 2.322 20 10 CECDRO CC1(C)CN(C(=O)C2=CC[C@@H]([NH3+])C2)c2ccccc21 ZINC000638027698 370252464 /nfs/dbraw/zinc/25/24/64/370252464.db2.gz ZWEFTOIWXVJGEB-GFCCVEGCSA-N 1 0 256.349 2.358 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000249194522 371304704 /nfs/dbraw/zinc/30/47/04/371304704.db2.gz AUVCDYRXAOSFBO-LZWOXQAQSA-N 1 0 277.364 2.448 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)Cn2cccn2)c1O ZINC000267471793 372074142 /nfs/dbraw/zinc/07/41/42/372074142.db2.gz YPFOLKREBCZDEI-SNVBAGLBSA-N 1 0 291.326 2.109 20 10 CECDRO CC[C@H]([NH2+]CCCC(=O)NC)c1ccc(N(C)C)cc1 ZINC000268876157 372267754 /nfs/dbraw/zinc/26/77/54/372267754.db2.gz YUHJGNISVXMMRS-HNNXBMFYSA-N 1 0 277.412 2.320 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@@H+]1C ZINC000269187682 372369536 /nfs/dbraw/zinc/36/95/36/372369536.db2.gz VZPRXKCZVRCUBS-CQSZACIVSA-N 1 0 276.380 2.225 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccccc1O ZINC000364354471 372736650 /nfs/dbraw/zinc/73/66/50/372736650.db2.gz OXZZLEKXNAPWTO-MYZSUADSSA-N 1 0 288.391 2.442 20 10 CECDRO Cc1cc(O)c(C[NH+]2CC([C@@H]3CCOC3)C2)cc1C ZINC000366245217 373013928 /nfs/dbraw/zinc/01/39/28/373013928.db2.gz BCOYYRKMBZQISC-CYBMUJFWSA-N 1 0 261.365 2.477 20 10 CECDRO Cc1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000366489496 373067671 /nfs/dbraw/zinc/06/76/71/373067671.db2.gz POGFJUPFLHSUOD-WMLDXEAASA-N 1 0 291.391 2.471 20 10 CECDRO Oc1ccccc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000271261152 373185395 /nfs/dbraw/zinc/18/53/95/373185395.db2.gz IPYIJNQLLIDNJM-CMPLNLGQSA-N 1 0 275.270 2.280 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000271315510 373186163 /nfs/dbraw/zinc/18/61/63/373186163.db2.gz XLSMQLXVARTJOZ-WCQYABFASA-N 1 0 265.353 2.448 20 10 CECDRO CC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)c1ccccc1O ZINC000271664723 373198521 /nfs/dbraw/zinc/19/85/21/373198521.db2.gz FANJOSMXZSPXSE-CYBMUJFWSA-N 1 0 285.409 2.256 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CCc2cnn(C)c2)c1O ZINC000272065737 373289559 /nfs/dbraw/zinc/28/95/59/373289559.db2.gz IRSYNCMFXMCIKL-UHFFFAOYSA-N 1 0 279.771 2.420 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1F ZINC000272661924 373604562 /nfs/dbraw/zinc/60/45/62/373604562.db2.gz ROGNXQDOMWYEJP-PBHICJAKSA-N 1 0 291.414 2.418 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@H]32)c1O ZINC000272700950 373620662 /nfs/dbraw/zinc/62/06/62/373620662.db2.gz YQMGXUFWANMAGS-DZGCQCFKSA-N 1 0 290.407 2.317 20 10 CECDRO CCOCCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273404452 373754943 /nfs/dbraw/zinc/75/49/43/373754943.db2.gz NZUJIFXQLUAFHN-LLVKDONJSA-N 1 0 281.352 2.256 20 10 CECDRO COC[C@H](C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273412854 373755028 /nfs/dbraw/zinc/75/50/28/373755028.db2.gz QEOACELHXIYXJF-MNOVXSKESA-N 1 0 281.352 2.112 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC2(CO)CCOCC2)c(O)c1C ZINC000273447787 373757453 /nfs/dbraw/zinc/75/74/53/373757453.db2.gz FLNIGMDDPVCETR-CQSZACIVSA-N 1 0 293.407 2.449 20 10 CECDRO Cc1cc(C(=O)N[C@H](C)C[NH3+])c(C)n1-c1ccccc1C ZINC000274392310 373904954 /nfs/dbraw/zinc/90/49/54/373904954.db2.gz DMZAECNXXTUDHC-GFCCVEGCSA-N 1 0 285.391 2.480 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1C ZINC000374544133 374595168 /nfs/dbraw/zinc/59/51/68/374595168.db2.gz DNFQJQMGFIWXMB-CQSZACIVSA-N 1 0 271.364 2.379 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccccc1O ZINC000375301877 374651634 /nfs/dbraw/zinc/65/16/34/374651634.db2.gz HZDQZXIKTGVOCL-VBQJREDUSA-N 1 0 288.391 2.490 20 10 CECDRO [O-]c1c(F)cccc1C[N@H+]1CCCC[C@H](CO)C1 ZINC000378493189 375114576 /nfs/dbraw/zinc/11/45/76/375114576.db2.gz ICXCHJOGBLSGFH-NSHDSACASA-N 1 0 253.317 2.126 20 10 CECDRO COCC[C@H](CO)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000281719267 375394082 /nfs/dbraw/zinc/39/40/82/375394082.db2.gz UMIBUXRSBGOTPD-IUODEOHRSA-N 1 0 293.407 2.319 20 10 CECDRO COc1cccc(CN(C)CCC[NH+]2CCCC2)c1O ZINC000281126148 375356755 /nfs/dbraw/zinc/35/67/55/375356755.db2.gz CNBJLYPZZGTLSI-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](CO)CCOC)cc1 ZINC000281552302 375386926 /nfs/dbraw/zinc/38/69/26/375386926.db2.gz JKHHXIMKZVLEJF-DZGCQCFKSA-N 1 0 280.412 2.191 20 10 CECDRO COCC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000281587931 375387980 /nfs/dbraw/zinc/38/79/80/375387980.db2.gz LMJNZTBEWUDCCL-KOLCDFICSA-N 1 0 273.760 2.094 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282984409 375630328 /nfs/dbraw/zinc/63/03/28/375630328.db2.gz ZVWRJXZTACDRNA-ZBFHGGJFSA-N 1 0 291.391 2.050 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(C)nn2C)c1 ZINC000283870942 375775327 /nfs/dbraw/zinc/77/53/27/375775327.db2.gz IRZAVYPMGONVEB-UHFFFAOYSA-N 1 0 275.352 2.123 20 10 CECDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccc1O ZINC000285451890 375838159 /nfs/dbraw/zinc/83/81/59/375838159.db2.gz JBCBZYUOXCZDBR-IUODEOHRSA-N 1 0 276.380 2.175 20 10 CECDRO C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccccc1O ZINC000285859256 375843423 /nfs/dbraw/zinc/84/34/23/375843423.db2.gz ZNQMWWXGZGIOPA-GFCCVEGCSA-N 1 0 297.420 2.400 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCCSC1)OCO2 ZINC000288402378 376377189 /nfs/dbraw/zinc/37/71/89/376377189.db2.gz IAKIAJITWRCUHH-SNVBAGLBSA-N 1 0 281.377 2.354 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1 ZINC000289195509 376389490 /nfs/dbraw/zinc/38/94/90/376389490.db2.gz AZXKMAQSBZEMEN-NWDGAFQWSA-N 1 0 265.353 2.163 20 10 CECDRO Cc1cccc(C[NH2+]CCc2nccnc2C)c1O ZINC000293547324 377621433 /nfs/dbraw/zinc/62/14/33/377621433.db2.gz DOIWXVAKUABMRZ-UHFFFAOYSA-N 1 0 257.337 2.131 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H]2CC[C@@H](CO)C2)c(O)c1 ZINC000294931785 378029683 /nfs/dbraw/zinc/02/96/83/378029683.db2.gz BQVCXWJFMMQSFX-OCCSQVGLSA-N 1 0 279.380 2.432 20 10 CECDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC000295001844 378034378 /nfs/dbraw/zinc/03/43/78/378034378.db2.gz IMNHYYIVGZLFJR-INIZCTEOSA-N 1 0 290.407 2.214 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000295119839 378042960 /nfs/dbraw/zinc/04/29/60/378042960.db2.gz NAWKDJDTTPYIEM-OAHLLOKOSA-N 1 0 275.323 2.225 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c(O)c1 ZINC000294841730 378023777 /nfs/dbraw/zinc/02/37/77/378023777.db2.gz RXRYWQUENNHJCK-IUODEOHRSA-N 1 0 289.379 2.127 20 10 CECDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296371191 378507710 /nfs/dbraw/zinc/50/77/10/378507710.db2.gz JYGQPJGTUMPPDL-CQSZACIVSA-N 1 0 289.423 2.291 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[NH2+]C2CC2)cc1 ZINC000296486036 378549092 /nfs/dbraw/zinc/54/90/92/378549092.db2.gz QIJIFNABEPDFLB-ZDUSSCGKSA-N 1 0 289.423 2.290 20 10 CECDRO CC(C)c1nnc(C[NH2+][C@@H]2CCc3cccc(O)c32)[nH]1 ZINC000296595188 378585597 /nfs/dbraw/zinc/58/55/97/378585597.db2.gz VFIVVLBHYTXKAF-LLVKDONJSA-N 1 0 272.352 2.411 20 10 CECDRO Cc1c(C[NH2+][C@@H]2CCc3cccc(O)c32)cnn1C ZINC000296796682 378652731 /nfs/dbraw/zinc/65/27/31/378652731.db2.gz LHDSVNBVDMGRAT-CYBMUJFWSA-N 1 0 257.337 2.211 20 10 CECDRO OC[C@@]1([NH2+]Cc2ccccc2O)CCc2ccccc21 ZINC000305190201 379679840 /nfs/dbraw/zinc/67/98/40/379679840.db2.gz UYYWZCVGZZUSCW-KRWDZBQOSA-N 1 0 269.344 2.316 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]Cc1nnc3n1CCCCC3)CC2 ZINC000296081235 285396823 /nfs/dbraw/zinc/39/68/23/285396823.db2.gz SPWWJESOMPBRQT-ZDUSSCGKSA-N 1 0 298.390 2.487 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cccc(CO)c2)c1 ZINC000224794563 394467699 /nfs/dbraw/zinc/46/76/99/394467699.db2.gz PUQQXJATIXCOOF-UHFFFAOYSA-N 1 0 273.332 2.183 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@](C)(O)C(F)(F)F)c1 ZINC000270478167 394735715 /nfs/dbraw/zinc/73/57/15/394735715.db2.gz IZAIDTUWBOXUBI-NSHDSACASA-N 1 0 263.259 2.104 20 10 CECDRO COc1ccc(O)c(CN(C)CC2([NH+](C)C)CCC2)c1 ZINC000097934062 394700130 /nfs/dbraw/zinc/70/01/30/394700130.db2.gz QDPGTNNMBZNCOT-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO CC[C@@H]([NH2+]CCCNC(C)=O)c1ccc(N(C)C)cc1 ZINC000121387731 394797750 /nfs/dbraw/zinc/79/77/50/394797750.db2.gz UCALTFPWXWPQIC-MRXNPFEDSA-N 1 0 277.412 2.320 20 10 CECDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C)C1 ZINC000336403883 394851627 /nfs/dbraw/zinc/85/16/27/394851627.db2.gz QEBVAOFCFKZSJL-UHFFFAOYSA-N 1 0 299.418 2.496 20 10 CECDRO C[N@H+](Cc1ccccc1O)C1CCN(c2cnccn2)CC1 ZINC000364415781 394899873 /nfs/dbraw/zinc/89/98/73/394899873.db2.gz MPTREODSEURFNQ-UHFFFAOYSA-N 1 0 298.390 2.283 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C)Cc1cc(C)ccc1O ZINC000133657770 394954659 /nfs/dbraw/zinc/95/46/59/394954659.db2.gz BQRVFXZEBURRGT-UHFFFAOYSA-N 1 0 264.369 2.001 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1O ZINC000153729527 395016926 /nfs/dbraw/zinc/01/69/26/395016926.db2.gz VJXNEIFKSOSLIL-INIZCTEOSA-N 1 0 293.338 2.346 20 10 CECDRO C[C@@H]([NH2+]C[C@H](C)O)c1cc(Br)ccc1O ZINC000134835036 394959386 /nfs/dbraw/zinc/95/93/86/394959386.db2.gz NWZHVBGMCUEXMR-JGVFFNPUSA-N 1 0 274.158 2.186 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000373152006 395056237 /nfs/dbraw/zinc/05/62/37/395056237.db2.gz IEDFCDHVYTXQLM-ZBFHGGJFSA-N 1 0 277.364 2.128 20 10 CECDRO CO[C@]1(C)C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000174137482 395120562 /nfs/dbraw/zinc/12/05/62/395120562.db2.gz ZUGLWJSAXKVUPF-GOEBONIOSA-N 1 0 293.363 2.414 20 10 CECDRO Cc1cccc(C[N@H+]2CC[S@](=O)CC[C@@H]2C)c1O ZINC000375929783 395104274 /nfs/dbraw/zinc/10/42/74/395104274.db2.gz DJIQVVYAFOMNHW-KPZWWZAWSA-N 1 0 267.394 2.044 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCCC3(C2)OCCO3)c1O ZINC000182077971 395232827 /nfs/dbraw/zinc/23/28/27/395232827.db2.gz JZPNWFNTWVXCSR-UHFFFAOYSA-N 1 0 293.363 2.130 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](O)C2)c1O ZINC000183469566 395258105 /nfs/dbraw/zinc/25/81/05/395258105.db2.gz ZNMXFBQRXIAXBD-LBPRGKRZSA-N 1 0 255.745 2.311 20 10 CECDRO COCCC1(C)C[NH+](Cc2cc(OC)ccc2O)C1 ZINC000297501801 395343997 /nfs/dbraw/zinc/34/39/97/395343997.db2.gz WGNHPZCPWVMSKA-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO CCOC(=O)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000019965224 170946563 /nfs/dbraw/zinc/94/65/63/170946563.db2.gz JIMBPLAYVNUFCA-UHFFFAOYSA-N 1 0 278.352 2.103 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)C(C)C)c(O)c1 ZINC000020125458 171008015 /nfs/dbraw/zinc/00/80/15/171008015.db2.gz QQHRQUHIPXSMOT-GFCCVEGCSA-N 1 0 264.369 2.123 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000020137770 171025482 /nfs/dbraw/zinc/02/54/82/171025482.db2.gz SGKHITMUTPKPFQ-CYBMUJFWSA-N 1 0 271.316 2.322 20 10 CECDRO CCOC1CC([NH2+]Cc2cccc(OC)c2O)C1 ZINC000218986941 419463346 /nfs/dbraw/zinc/46/33/46/419463346.db2.gz LPDRIOATIRDNSW-UHFFFAOYSA-N 1 0 251.326 2.058 20 10 CECDRO C[C@@H]([NH2+]CCCn1cccn1)c1cc(F)ccc1O ZINC000126309900 260349122 /nfs/dbraw/zinc/34/91/22/260349122.db2.gz XXGRSVARVKDPAV-LLVKDONJSA-N 1 0 263.316 2.469 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccccc2O)C1 ZINC000156377126 261121666 /nfs/dbraw/zinc/12/16/66/261121666.db2.gz NQZLHCSBDXBHEU-GXTWGEPZSA-N 1 0 276.380 2.444 20 10 CECDRO CCOC(C)(C)C[NH2+]Cc1cc(OC)ccc1O ZINC000159209724 261180857 /nfs/dbraw/zinc/18/08/57/261180857.db2.gz FXVITODDFDQWTD-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO CC(C)[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[NH+](C)C ZINC000160002454 261201742 /nfs/dbraw/zinc/20/17/42/261201742.db2.gz YKSYHIODDPQBHB-MRXNPFEDSA-N 1 0 291.439 2.297 20 10 CECDRO CCOC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160349700 261211563 /nfs/dbraw/zinc/21/15/63/261211563.db2.gz MDNLEJLOZXNYSD-GFCCVEGCSA-N 1 0 295.379 2.268 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1O ZINC000219886637 262351084 /nfs/dbraw/zinc/35/10/84/262351084.db2.gz SMISRQXKBQMJBK-CMPLNLGQSA-N 1 0 251.326 2.058 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](CO)C(C)(C)C)c1O ZINC000059240909 262387725 /nfs/dbraw/zinc/38/77/25/262387725.db2.gz DPJOCVMDISYAFP-CYBMUJFWSA-N 1 0 267.369 2.288 20 10 CECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271191266 262994537 /nfs/dbraw/zinc/99/45/37/262994537.db2.gz QGRXHTGBSAACTI-INIZCTEOSA-N 1 0 294.370 2.277 20 10 CECDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(N(C)C)cc1)CCO2 ZINC000280404249 263061367 /nfs/dbraw/zinc/06/13/67/263061367.db2.gz LBLTXDBKEHUNTL-RHSMWYFYSA-N 1 0 290.407 2.132 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000188494608 264012713 /nfs/dbraw/zinc/01/27/13/264012713.db2.gz VNCAPQCYUJVBIB-ZJUUUORDSA-N 1 0 268.332 2.049 20 10 CECDRO CCOC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000188858685 264254304 /nfs/dbraw/zinc/25/43/04/264254304.db2.gz AXHAEENENKLKKJ-LBPRGKRZSA-N 1 0 281.352 2.272 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000368443160 267172804 /nfs/dbraw/zinc/17/28/04/267172804.db2.gz SFENKAXIXBOBJV-GFCCVEGCSA-N 1 0 277.364 2.259 20 10 CECDRO COc1ccc(N2CCC([NH2+]C[C@H](O)C(C)C)CC2)cc1 ZINC000368644059 267193848 /nfs/dbraw/zinc/19/38/48/267193848.db2.gz VFRHRAWBCRJZQU-KRWDZBQOSA-N 1 0 292.423 2.271 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H](C)C2)c1 ZINC000370054484 267287135 /nfs/dbraw/zinc/28/71/35/267287135.db2.gz WIMCPDAECSJCEE-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@@]2(CCCOC2)O1 ZINC000370712504 267340523 /nfs/dbraw/zinc/34/05/23/267340523.db2.gz VUIRGGHNDLHSPW-XJKSGUPXSA-N 1 0 277.364 2.162 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCOC[C@@]12CCOC2 ZINC000370736814 267343155 /nfs/dbraw/zinc/34/31/55/267343155.db2.gz HCJLVHMEJJYBNH-ZBFHGGJFSA-N 1 0 277.364 2.335 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H](C)OC)c1 ZINC000289623755 276374975 /nfs/dbraw/zinc/37/49/75/276374975.db2.gz LRJKHHWRWUKXRU-NSHDSACASA-N 1 0 253.342 2.258 20 10 CECDRO COc1cc(O)c(C[N@H+](CC(C)(C)O)C2CC2)cc1OC ZINC000189941649 295003710 /nfs/dbraw/zinc/00/37/10/295003710.db2.gz ZAMDXPOKIZHIGU-UHFFFAOYSA-N 1 0 295.379 2.145 20 10 CECDRO COC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000280983276 328237789 /nfs/dbraw/zinc/23/77/89/328237789.db2.gz MFIWOEIPVSJMJC-ZBFHGGJFSA-N 1 0 292.423 2.335 20 10 CECDRO Cn1cc(C[NH2+]Cc2ccccc2O)c(C(F)F)n1 ZINC000291306877 328262959 /nfs/dbraw/zinc/26/29/59/328262959.db2.gz XGBORJGBUNUFQI-UHFFFAOYSA-N 1 0 267.279 2.353 20 10 CECDRO C[NH2+]CCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000151277563 327547944 /nfs/dbraw/zinc/54/79/44/327547944.db2.gz VAQMSEFPDOPCLO-UHFFFAOYSA-N 1 0 285.391 2.352 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCN2C)c1ccc(=O)[nH]n1 ZINC000367620616 328932724 /nfs/dbraw/zinc/93/27/24/328932724.db2.gz QFRKREUKJMCKSQ-NSHDSACASA-N 1 0 284.363 2.025 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)CC1(C)C ZINC000378440543 329050327 /nfs/dbraw/zinc/05/03/27/329050327.db2.gz BVHZPQKQZCUWSP-ZDUSSCGKSA-N 1 0 293.363 2.032 20 10 CECDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc(F)ccc3O)C[C@H]21 ZINC000378493532 329052988 /nfs/dbraw/zinc/05/29/88/329052988.db2.gz IKTORLKYUDAGKQ-SMDDNHRTSA-N 1 0 264.344 2.057 20 10 CECDRO Cc1cn2c(n1)CN(Cc1cccc(C)c1O)CC2 ZINC000378639252 329057606 /nfs/dbraw/zinc/05/76/06/329057606.db2.gz TVTUEGRYUJJFPO-UHFFFAOYSA-N 1 0 257.337 2.221 20 10 CECDRO CCOC(=O)N1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000180016265 329214462 /nfs/dbraw/zinc/21/44/62/329214462.db2.gz HOLHSHRXTVNFQO-UHFFFAOYSA-N 1 0 296.342 2.196 20 10 CECDRO C[C@H](C[NH2+]Cc1cc(F)ccc1O)N(C)C1CC1 ZINC000226607797 329262046 /nfs/dbraw/zinc/26/20/46/329262046.db2.gz XYWKXBZZPMCWSE-SNVBAGLBSA-N 1 0 252.333 2.104 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CCCO)c1O ZINC000228676359 329344404 /nfs/dbraw/zinc/34/44/04/329344404.db2.gz HJSZBRUPYQVGKN-VIFPVBQESA-N 1 0 273.760 2.305 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000219887684 333158645 /nfs/dbraw/zinc/15/86/45/333158645.db2.gz QVRPSKLSRLVJNF-GDBMZVCRSA-N 1 0 290.407 2.180 20 10 CECDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000283068944 521044074 /nfs/dbraw/zinc/04/40/74/521044074.db2.gz JXUCXVCVBKRJCT-STQMWFEESA-N 1 0 278.396 2.430 20 10 CECDRO CCOc1cccc(C[NH2+]CCCCCO)c1O ZINC000075436116 521362401 /nfs/dbraw/zinc/36/24/01/521362401.db2.gz SRQMDZINHICPCE-UHFFFAOYSA-N 1 0 253.342 2.043 20 10 CECDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000279934292 519537642 /nfs/dbraw/zinc/53/76/42/519537642.db2.gz YJDANEUXBLSQDM-HNNXBMFYSA-N 1 0 290.407 2.357 20 10 CECDRO CC(=O)NC1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000263709932 519645871 /nfs/dbraw/zinc/64/58/71/519645871.db2.gz UCXRWBLLXXRRDZ-UHFFFAOYSA-N 1 0 288.391 2.158 20 10 CECDRO CCC[NH+]1CCC(N(C)C(=O)Cc2ccc(N)cc2)CC1 ZINC000038100770 519843643 /nfs/dbraw/zinc/84/36/43/519843643.db2.gz BZQSWTMEVHLINL-UHFFFAOYSA-N 1 0 289.423 2.144 20 10 CECDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cccc(C)c1O)C(C)C ZINC000295114537 520202678 /nfs/dbraw/zinc/20/26/78/520202678.db2.gz VNQPNWJUPLDWPM-AWEZNQCLSA-N 1 0 278.396 2.293 20 10 CECDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1O ZINC000275814852 520476280 /nfs/dbraw/zinc/47/62/80/520476280.db2.gz DSDKIPCXOIIQKG-CYBMUJFWSA-N 1 0 253.317 2.124 20 10 CECDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000019393000 520627664 /nfs/dbraw/zinc/62/76/64/520627664.db2.gz AVYBRXDSOXQAJZ-CQSZACIVSA-N 1 0 291.439 2.438 20 10 CECDRO CCC[C@@H]([NH3+])C(=O)N(CCC)Cc1ccccc1O ZINC000236900012 520715220 /nfs/dbraw/zinc/71/52/20/520715220.db2.gz QVZYPJQGSKAXKI-CYBMUJFWSA-N 1 0 264.369 2.258 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)/C=C/C[NH+](C)C)cc1 ZINC000265653908 520894067 /nfs/dbraw/zinc/89/40/67/520894067.db2.gz OZXCRFVGVUZWTD-BQYQJAHWSA-N 1 0 289.423 2.267 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCC(=O)N(C)C)cc1 ZINC000037751724 520905248 /nfs/dbraw/zinc/90/52/48/520905248.db2.gz HRLGCNADZLPOOC-UHFFFAOYSA-N 1 0 277.412 2.101 20 10 CECDRO CCC[C@](C)(O)C[NH2+]Cc1cc(OCC)ccc1O ZINC000264863388 521295978 /nfs/dbraw/zinc/29/59/78/521295978.db2.gz PMZQVTJUUPLQBC-HNNXBMFYSA-N 1 0 267.369 2.432 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2([S@](C)=O)CCC2)cc1F ZINC000280521590 522206089 /nfs/dbraw/zinc/20/60/89/522206089.db2.gz BBKWCVUCOXBBHC-FQEVSTJZSA-N 1 0 298.427 2.283 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000237089104 522208947 /nfs/dbraw/zinc/20/89/47/522208947.db2.gz RDAJXPBYCSUSOQ-SFHVURJKSA-N 1 0 284.403 2.446 20 10 CECDRO CC[C@H]([NH2+]CCC(=O)N(C)C)c1ccc(C)cc1O ZINC000280089965 522575803 /nfs/dbraw/zinc/57/58/03/522575803.db2.gz MIKTZQKBDTVYRH-ZDUSSCGKSA-N 1 0 264.369 2.220 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)cc1OC ZINC000290259539 522779023 /nfs/dbraw/zinc/77/90/23/522779023.db2.gz WPACNBZYIDMYNS-RYUDHWBXSA-N 1 0 295.379 2.002 20 10 CECDRO CN1CCCc2cc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)ccc21 ZINC000237093117 523862070 /nfs/dbraw/zinc/86/20/70/523862070.db2.gz RFKMQWZLHICTGA-OAHLLOKOSA-N 1 0 289.423 2.059 20 10 CECDRO COCCOCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000044693901 524011248 /nfs/dbraw/zinc/01/12/48/524011248.db2.gz KHAMMFMCMIBZDF-GFCCVEGCSA-N 1 0 253.342 2.014 20 10 CECDRO COc1ccc(C[NH2+]Cc2snnc2C)cc1C ZINC000291750018 524073676 /nfs/dbraw/zinc/07/36/76/524073676.db2.gz QBNYPDJFPDFENG-UHFFFAOYSA-N 1 0 263.366 2.453 20 10 CECDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@@H]1CO ZINC000276748440 524295017 /nfs/dbraw/zinc/29/50/17/524295017.db2.gz LIUHBYCGGRJQAB-XHDPSFHLSA-N 1 0 266.360 2.094 20 10 CECDRO Cc1cccc(C[N@H+](C)CCCn2ccnc2)c1O ZINC000290363288 524377310 /nfs/dbraw/zinc/37/73/10/524377310.db2.gz GWYGOQOYKKBZCO-UHFFFAOYSA-N 1 0 259.353 2.419 20 10 CECDRO Cc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1O ZINC000372635482 524407362 /nfs/dbraw/zinc/40/73/62/524407362.db2.gz BXXHANDARQYCEI-KRWDZBQOSA-N 1 0 288.391 2.145 20 10 CECDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880073 524608046 /nfs/dbraw/zinc/60/80/46/524608046.db2.gz YGRGRTSPTQABIE-LBPRGKRZSA-N 1 0 292.379 2.085 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCCCO)c1 ZINC000272368020 524751758 /nfs/dbraw/zinc/75/17/58/524751758.db2.gz GDRSWZMBSMGAFZ-NSHDSACASA-N 1 0 253.342 2.042 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000085962936 524752777 /nfs/dbraw/zinc/75/27/77/524752777.db2.gz HDMYAPKIMRKFPA-SMDDNHRTSA-N 1 0 265.353 2.042 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccnc(OC)c2)c1 ZINC000062057938 524754047 /nfs/dbraw/zinc/75/40/47/524754047.db2.gz QYIWQFAHNVCQIN-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@](F)(CO)C2)cc1C ZINC000289789017 525316314 /nfs/dbraw/zinc/31/63/14/525316314.db2.gz LSYKNIFTTKLQDQ-HNNXBMFYSA-N 1 0 267.344 2.305 20 10 CECDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(F)ccc1O ZINC000281024386 525423738 /nfs/dbraw/zinc/42/37/38/525423738.db2.gz MNUVIQSEAHVYII-GIGQVBGESA-N 1 0 285.384 2.483 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(F)ccc1O ZINC000094617559 525602381 /nfs/dbraw/zinc/60/23/81/525602381.db2.gz GNYIBNMUYZJYDL-WDEREUQCSA-N 1 0 263.316 2.467 20 10 CECDRO C[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000130818954 525742364 /nfs/dbraw/zinc/74/23/64/525742364.db2.gz KFZILNXWWFVKPH-AWEZNQCLSA-N 1 0 262.397 2.490 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC000748561577 574439488 /nfs/dbraw/zinc/43/94/88/574439488.db2.gz DSLGPIGYFNWGDQ-MRXNPFEDSA-N 1 0 289.423 2.243 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CCn2cncn2)cc1 ZINC000727221688 574449321 /nfs/dbraw/zinc/44/93/21/574449321.db2.gz HBFNDMLKAZVUFT-UHFFFAOYSA-N 1 0 287.411 2.256 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccc(CC(N)=O)cc2)cc1C ZINC000727470400 574452159 /nfs/dbraw/zinc/45/21/59/574452159.db2.gz AIHIRZIITNEVNW-UHFFFAOYSA-N 1 0 298.386 2.321 20 10 CECDRO Cc1ncc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cn1 ZINC000746693171 574509483 /nfs/dbraw/zinc/50/94/83/574509483.db2.gz GFWDDYCNEPVIPU-UHFFFAOYSA-N 1 0 282.391 2.457 20 10 CECDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000731451393 574596447 /nfs/dbraw/zinc/59/64/47/574596447.db2.gz YIMQTXFKOXRXHU-AWEZNQCLSA-N 1 0 285.395 2.057 20 10 CECDRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000738440633 574863430 /nfs/dbraw/zinc/86/34/30/574863430.db2.gz WIDGGXFAZGALBO-ZJUUUORDSA-N 1 0 282.771 2.179 20 10 CECDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000748374364 575185072 /nfs/dbraw/zinc/18/50/72/575185072.db2.gz YRDGZGKNLXMYSR-JTQLQIEISA-N 1 0 268.382 2.010 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CCCNc1ncccn1 ZINC000751505237 575290774 /nfs/dbraw/zinc/29/07/74/575290774.db2.gz AESTUHPVSVVWPA-UHFFFAOYSA-N 1 0 292.770 2.427 20 10 CECDRO CC(C)(C[NH2+]Cc1c(O)cccc1Cl)N1CCOCC1 ZINC000083551401 623224695 /nfs/dbraw/zinc/22/46/95/623224695.db2.gz OIFFWLAKPPYAPO-UHFFFAOYSA-N 1 0 298.814 2.246 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)OC)c1O ZINC000846143951 623354977 /nfs/dbraw/zinc/35/49/77/623354977.db2.gz BJBKHJZRCUSWIP-JTQLQIEISA-N 1 0 253.342 2.476 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000742375638 623422295 /nfs/dbraw/zinc/42/22/95/623422295.db2.gz SYJDIBKYHXZXSP-JSGCOSHPSA-N 1 0 278.396 2.363 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000840834650 623459688 /nfs/dbraw/zinc/45/96/88/623459688.db2.gz YZEVLBDOJIMMES-RYUDHWBXSA-N 1 0 288.391 2.058 20 10 CECDRO C[C@H]1CN(Cc2cc(Cl)ccc2O)[C@@H](C)C[NH2+]1 ZINC000083407790 623856408 /nfs/dbraw/zinc/85/64/08/623856408.db2.gz VJFTZCWYIRDLBS-UWVGGRQHSA-N 1 0 254.761 2.228 20 10 CECDRO CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)c1ccccc1O ZINC000892039314 624269217 /nfs/dbraw/zinc/26/92/17/624269217.db2.gz AHQWKVICXRSVOT-NWDGAFQWSA-N 1 0 279.384 2.270 20 10 CECDRO C[C@@H](NC(=O)NCCCCCC[NH3+])c1ccccc1O ZINC000892212881 624422262 /nfs/dbraw/zinc/42/22/62/624422262.db2.gz UHMWUZPBBCLAAR-GFCCVEGCSA-N 1 0 279.384 2.272 20 10 CECDRO C[C@@H](NC(=O)NCCC1CC[NH2+]CC1)c1ccccc1O ZINC000892232301 624440944 /nfs/dbraw/zinc/44/09/44/624440944.db2.gz BOSRZGFXQNCDOG-GFCCVEGCSA-N 1 0 291.395 2.142 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)cc1 ZINC000162101175 625058907 /nfs/dbraw/zinc/05/89/07/625058907.db2.gz LZOWLEIMIRGQFR-MRXNPFEDSA-N 1 0 289.423 2.373 20 10 CECDRO CCC(CC)(CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000053065712 625118956 /nfs/dbraw/zinc/11/89/56/625118956.db2.gz ANHHRNAFFGNTMB-UHFFFAOYSA-N 1 0 292.423 2.164 20 10 CECDRO Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c(O)c1O ZINC000177671335 625808337 /nfs/dbraw/zinc/80/83/37/625808337.db2.gz HJGASLNDWGRUOH-LBPRGKRZSA-N 1 0 292.379 2.010 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@H]1CCOC1 ZINC000840892578 627735086 /nfs/dbraw/zinc/73/50/86/627735086.db2.gz BIMUBWNUZBFRMX-ZFWWWQNUSA-N 1 0 262.397 2.371 20 10 CECDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893019497 627947805 /nfs/dbraw/zinc/94/78/05/627947805.db2.gz TWSMJODEXHLDAT-GFCCVEGCSA-N 1 0 283.368 2.050 20 10 CECDRO COCCN1[C@H](C)C[N@@H+](Cc2cccc(C)c2O)C[C@@H]1C ZINC000180299935 628077096 /nfs/dbraw/zinc/07/70/96/628077096.db2.gz LIFCZIAHYRSGGL-GASCZTMLSA-N 1 0 292.423 2.242 20 10 CECDRO COC(=O)CC(C)(C)[NH2+]Cc1cccc(C)c1O ZINC000181330205 628115203 /nfs/dbraw/zinc/11/52/03/628115203.db2.gz IAOWAMDPJSRHBV-UHFFFAOYSA-N 1 0 251.326 2.132 20 10 CECDRO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C3CC3)C2)c1O ZINC000775681085 628309163 /nfs/dbraw/zinc/30/91/63/628309163.db2.gz MZFJTNYSPWWYDL-HNNXBMFYSA-N 1 0 260.381 2.369 20 10 CECDRO C[C@@H]([NH2+]CCCON)c1cc(Br)ccc1O ZINC000902426156 634648322 /nfs/dbraw/zinc/64/83/22/634648322.db2.gz RNUXVTMILKKHEF-MRVPVSSYSA-N 1 0 289.173 2.086 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000103859774 634670329 /nfs/dbraw/zinc/67/03/29/634670329.db2.gz PMTNCRHDKNOHNZ-IMMZDGJCSA-N 1 0 260.381 2.223 20 10 CECDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)ncn1 ZINC000840935685 628753031 /nfs/dbraw/zinc/75/30/31/628753031.db2.gz ABSOGLFPLRNXCO-UHFFFAOYSA-N 1 0 270.380 2.449 20 10 CECDRO COCC[C@H](COC)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000311741982 628773134 /nfs/dbraw/zinc/77/31/34/628773134.db2.gz BKIAIBGGXITVES-CMPLNLGQSA-N 1 0 271.332 2.233 20 10 CECDRO COc1ccc(C[NH2+]CCOCC2CCC2)c(O)c1OC ZINC000893616923 628805031 /nfs/dbraw/zinc/80/50/31/628805031.db2.gz 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COc1ccc(O)c([C@H](C)[NH2+][C@H](C)COC(C)=O)c1 ZINC000894502809 629498729 /nfs/dbraw/zinc/49/87/29/629498729.db2.gz UJLPJWJAZIJHLN-ZJUUUORDSA-N 1 0 267.325 2.003 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)CC(C)(C)O)c(O)c1OC ZINC000894700558 629596334 /nfs/dbraw/zinc/59/63/34/629596334.db2.gz RUHOWLCAYIDZFI-SNVBAGLBSA-N 1 0 283.368 2.049 20 10 CECDRO COc1ccc(C[N@H+]2CC[C@H](OC)[C@H](C)C2)c(O)c1OC ZINC000894716740 629608287 /nfs/dbraw/zinc/60/82/87/629608287.db2.gz BDUWRMMCUWBIIL-YPMHNXCESA-N 1 0 295.379 2.266 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@](C)(CO)C(C)C)c1O ZINC000894793793 629650466 /nfs/dbraw/zinc/65/04/66/629650466.db2.gz IWDOARNIBBQICY-HNNXBMFYSA-N 1 0 267.369 2.206 20 10 CECDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000902636932 634756838 /nfs/dbraw/zinc/75/68/38/634756838.db2.gz HIRYNRSRONMCKT-GDBMZVCRSA-N 1 0 261.365 2.490 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@H](O)C(C)C ZINC000894915434 629751951 /nfs/dbraw/zinc/75/19/51/629751951.db2.gz LKXKZMYCOXASJQ-TZMCWYRMSA-N 1 0 297.395 2.295 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](C)c2ccn(C)n2)c1O ZINC000894984511 629784131 /nfs/dbraw/zinc/78/41/31/629784131.db2.gz JTJVVSBBLWZBCV-NSHDSACASA-N 1 0 275.352 2.294 20 10 CECDRO CCOc1ccc(C[NH2+]CCC(C)(C)C(=O)OC)c(O)c1 ZINC000796453482 629907031 /nfs/dbraw/zinc/90/70/31/629907031.db2.gz IIHMFKKLINUDEE-UHFFFAOYSA-N 1 0 295.379 2.470 20 10 CECDRO CC[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C(=O)OC ZINC000895136407 629946413 /nfs/dbraw/zinc/94/64/13/629946413.db2.gz UHQPVWPNALEDPL-ZDUSSCGKSA-N 1 0 277.364 2.300 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1O ZINC000895279764 630075864 /nfs/dbraw/zinc/07/58/64/630075864.db2.gz LHNASYPGBACHKE-ZIAGYGMSSA-N 1 0 277.364 2.102 20 10 CECDRO CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000796962296 630082130 /nfs/dbraw/zinc/08/21/30/630082130.db2.gz TZSMDGNLTFXBTR-AWEZNQCLSA-N 1 0 284.375 2.150 20 10 CECDRO COc1ccc(C[NH2+][C@]23C[C@H]2COC3(C)C)c(O)c1OC ZINC000895570205 630251805 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COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000896127072 630474666 /nfs/dbraw/zinc/47/46/66/630474666.db2.gz WMMJXHQCCFHOCB-CABCVRRESA-N 1 0 289.375 2.443 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)c1 ZINC000896237743 630508374 /nfs/dbraw/zinc/50/83/74/630508374.db2.gz NVABVULFFJGSMD-NSHDSACASA-N 1 0 289.335 2.082 20 10 CECDRO CO[C@]12CCC[C@@]1([NH2+]Cc1cccc(C)c1O)CCO2 ZINC000896412565 630558063 /nfs/dbraw/zinc/55/80/63/630558063.db2.gz XNNURVMKUSLTKD-CVEARBPZSA-N 1 0 277.364 2.476 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)C(C)(C)OC)c(O)c1OC ZINC000896607502 630611195 /nfs/dbraw/zinc/61/11/95/630611195.db2.gz FECZQLCVDNLJKZ-SNVBAGLBSA-N 1 0 283.368 2.313 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)cc1C ZINC000796488077 630807650 /nfs/dbraw/zinc/80/76/50/630807650.db2.gz BSDCURABXNNONO-LBPRGKRZSA-N 1 0 297.420 2.059 20 10 CECDRO COCC[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000798940876 630954520 /nfs/dbraw/zinc/95/45/20/630954520.db2.gz OJLCNYZNCMQNON-FOGDFJRCSA-N 1 0 283.343 2.067 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2c(O)cccc2OC)CCCO1 ZINC000798965301 630958532 /nfs/dbraw/zinc/95/85/32/630958532.db2.gz WCBJGZNUJQZQAS-GFCCVEGCSA-N 1 0 265.353 2.402 20 10 CECDRO CCOCCOCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000897203754 630988342 /nfs/dbraw/zinc/98/83/42/630988342.db2.gz CZQHEPVQTSDCRK-UHFFFAOYSA-N 1 0 287.787 2.497 20 10 CECDRO O=C(OCCC[NH+]1CCCC1)C1=CC(=O)CS1 ZINC000800165142 631098834 /nfs/dbraw/zinc/09/88/34/631098834.db2.gz GNQKAMNHFBWDMC-UHFFFAOYSA-N 1 0 255.339 2.096 20 10 CECDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1c(O)cccc1F ZINC000928705620 631127584 /nfs/dbraw/zinc/12/75/84/631127584.db2.gz MHEFBJAJANIXRT-QWRGUYRKSA-N 1 0 280.343 2.020 20 10 CECDRO Cc1cccc(C[NH2+]CC2(C3(O)CCC3)CC2)c1O ZINC000897528401 631663837 /nfs/dbraw/zinc/66/38/37/631663837.db2.gz FJWCMERJCPDEEX-UHFFFAOYSA-N 1 0 261.365 2.485 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897530625 631675576 /nfs/dbraw/zinc/67/55/76/631675576.db2.gz NFBONDBPSCKGMG-UHFFFAOYSA-N 1 0 277.364 2.186 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(Cl)cc1O ZINC000841752250 631676121 /nfs/dbraw/zinc/67/61/21/631676121.db2.gz NWCHLJFMBKOEHT-BDAKNGLRSA-N 1 0 288.750 2.170 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(=O)NCCF ZINC000841752252 631676206 /nfs/dbraw/zinc/67/62/06/631676206.db2.gz NWCHLJFMBKOEHT-DTWKUNHWSA-N 1 0 288.750 2.170 20 10 CECDRO C[C@@]1(F)CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000840097552 631846196 /nfs/dbraw/zinc/84/61/96/631846196.db2.gz BVJSISQJQVXCLZ-DZGCQCFKSA-N 1 0 281.327 2.142 20 10 CECDRO C[C@H]1CC2(CC([NH2+]Cc3cc4c(cc3O)OCO4)C2)CO1 ZINC000897781306 631913472 /nfs/dbraw/zinc/91/34/72/631913472.db2.gz UWBWYSGQCSYEPB-LWOUBBNUSA-N 1 0 291.347 2.168 20 10 CECDRO C[C@]1([NH2+]Cc2ccc(N3CCCCC3)cc2)CCNC1=O ZINC000897874619 631956294 /nfs/dbraw/zinc/95/62/94/631956294.db2.gz XWXSILZQIHAYSL-KRWDZBQOSA-N 1 0 287.407 2.045 20 10 CECDRO OCC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCC1 ZINC000897886070 631961977 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C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CC(C)(C)C1 ZINC000840162950 632066887 /nfs/dbraw/zinc/06/68/87/632066887.db2.gz BJRAWOYQSLBZKJ-CQSZACIVSA-N 1 0 277.364 2.438 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ncccc1O ZINC000809619087 632113369 /nfs/dbraw/zinc/11/33/69/632113369.db2.gz PBJLXQSUIACLCD-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO CCOc1ccc(C[N@H+](C)[C@@H]2CCCOC2)c(O)c1 ZINC000809692620 632128454 /nfs/dbraw/zinc/12/84/54/632128454.db2.gz BRCDVDSFAKHVAU-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CC[C@@H]2C)cc1OC ZINC000809719336 632132361 /nfs/dbraw/zinc/13/23/61/632132361.db2.gz YBHJLRPQTOIVSZ-GXSJLCMTSA-N 1 0 251.326 2.298 20 10 CECDRO Cc1ccc(O)c(C[N@H+](C)C[C@H](O)C(F)(F)F)c1 ZINC000809751314 632140703 /nfs/dbraw/zinc/14/07/03/632140703.db2.gz QQHALNBTAUDJBU-NSHDSACASA-N 1 0 263.259 2.056 20 10 CECDRO CCCC[N@H+](CCCO)Cc1c(O)cccc1OC ZINC000809751724 632140716 /nfs/dbraw/zinc/14/07/16/632140716.db2.gz JEUSDUBTYMMDLY-UHFFFAOYSA-N 1 0 267.369 2.385 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000825934017 635734765 /nfs/dbraw/zinc/73/47/65/635734765.db2.gz FGTDAPKMSYLQRA-IQOUGMIPSA-N 1 0 293.363 2.249 20 10 CECDRO COCC[C@@H](COC)[NH2+]Cc1cc(C)c(C)cc1O ZINC000810173991 632191730 /nfs/dbraw/zinc/19/17/30/632191730.db2.gz MLXIVYOEWULERZ-AWEZNQCLSA-N 1 0 267.369 2.150 20 10 CECDRO CC[C@](C)(C[NH2+]Cc1cccc(OC)c1O)OC ZINC000322487439 632214420 /nfs/dbraw/zinc/21/44/20/632214420.db2.gz APAZTNYBYFISSN-CQSZACIVSA-N 1 0 253.342 2.306 20 10 CECDRO COCC(COC)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826064674 635755057 /nfs/dbraw/zinc/75/50/57/635755057.db2.gz MXSPXQXTUJTOHW-UHFFFAOYSA-N 1 0 273.760 2.105 20 10 CECDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)C1=CC(=O)CS1 ZINC000840228777 632358974 /nfs/dbraw/zinc/35/89/74/632358974.db2.gz SQXUFQQOYPXTRJ-SNVBAGLBSA-N 1 0 269.366 2.485 20 10 CECDRO CCO[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)CN(C)C ZINC000926959249 632386331 /nfs/dbraw/zinc/38/63/31/632386331.db2.gz AOUJNJBYVSBQHB-YOEHRIQHSA-N 1 0 293.455 2.370 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCO[C@H]2CCOC2)c(O)c1 ZINC000927079116 632447690 /nfs/dbraw/zinc/44/76/90/632447690.db2.gz DMCMBUJNOGEORA-STQMWFEESA-N 1 0 265.353 2.157 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCO[C@@H]2CCOC2)c(O)c1 ZINC000927081307 632449079 /nfs/dbraw/zinc/44/90/79/632449079.db2.gz OKJBVEKZYQSUDJ-ZIAGYGMSSA-N 1 0 279.380 2.465 20 10 CECDRO C[C@@H](NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1O ZINC000899181401 632726828 /nfs/dbraw/zinc/72/68/28/632726828.db2.gz BREZCXSZXWJQSW-DGCLKSJQSA-N 1 0 276.380 2.442 20 10 CECDRO Cc1cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)ccc1N(C)C ZINC000815080003 632956306 /nfs/dbraw/zinc/95/63/06/632956306.db2.gz DESSQJDZUOLJGR-CYBMUJFWSA-N 1 0 290.329 2.416 20 10 CECDRO O=C1OC[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)CCN12 ZINC000816515184 633405400 /nfs/dbraw/zinc/40/54/00/633405400.db2.gz RMUXWJCWKDHTFT-CQSZACIVSA-N 1 0 298.342 2.182 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816557893 633412460 /nfs/dbraw/zinc/41/24/60/633412460.db2.gz FZUDKAHGTNZVHQ-UHFFFAOYSA-N 1 0 286.375 2.407 20 10 CECDRO OC[C@]1(F)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816600857 633420448 /nfs/dbraw/zinc/42/04/48/633420448.db2.gz JOOCDFFSOCCQJK-INIZCTEOSA-N 1 0 275.323 2.452 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000816643142 633454857 /nfs/dbraw/zinc/45/48/57/633454857.db2.gz WJYXEJAUCMKYEC-KRWDZBQOSA-N 1 0 290.407 2.319 20 10 CECDRO COc1cc(C)cc(CN(C)C[C@H]2CCC[N@@H+]2C)c1O ZINC000817374680 633644526 /nfs/dbraw/zinc/64/45/26/633644526.db2.gz URPJJYOHWUXNQH-CQSZACIVSA-N 1 0 278.396 2.235 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C(=O)NC)C2)cc1 ZINC000817414583 633653166 /nfs/dbraw/zinc/65/31/66/633653166.db2.gz HWVBLJWIXOOEKL-OAHLLOKOSA-N 1 0 289.423 2.101 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCCC1(O)CCC1 ZINC000817415220 633653304 /nfs/dbraw/zinc/65/33/04/633653304.db2.gz VCLHNOSHWPDXRA-UHFFFAOYSA-N 1 0 265.353 2.186 20 10 CECDRO C[C@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCCC[NH2+]1 ZINC000817902850 633764102 /nfs/dbraw/zinc/76/41/02/633764102.db2.gz ZKQSRGFBQONGEZ-WFASDCNBSA-N 1 0 260.381 2.242 20 10 CECDRO COCCNCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000817965505 633806714 /nfs/dbraw/zinc/80/67/14/633806714.db2.gz WEFILLARHKKTLX-ZDUSSCGKSA-N 1 0 288.391 2.432 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(Cl)c1[O-] ZINC000817982977 633827399 /nfs/dbraw/zinc/82/73/99/633827399.db2.gz XEXHYKCQMOBKFN-FZMZJTMJSA-N 1 0 298.814 2.465 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H]2CCOC2)ccc1OC ZINC000818236223 633892705 /nfs/dbraw/zinc/89/27/05/633892705.db2.gz MECXZLFOCYDQSV-CQSZACIVSA-N 1 0 265.353 2.110 20 10 CECDRO C[N@H+](C[C@@H](O)CNc1ccccc1OCC1CC1)C1CC1 ZINC000819452411 634184688 /nfs/dbraw/zinc/18/46/88/634184688.db2.gz RKPQCQYTKWDXGS-HNNXBMFYSA-N 1 0 290.407 2.342 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H]3CN(C)C[C@H]32)c1 ZINC000822520410 634936240 /nfs/dbraw/zinc/93/62/40/634936240.db2.gz ABHKKKREWFOEOY-DZGCQCFKSA-N 1 0 260.381 2.227 20 10 CECDRO C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(F)ccc1O ZINC000903286277 635050473 /nfs/dbraw/zinc/05/04/73/635050473.db2.gz FZOIICQSUNXYSV-LQEIOPRQSA-N 1 0 263.312 2.358 20 10 CECDRO CC[C@@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000903342479 635069656 /nfs/dbraw/zinc/06/96/56/635069656.db2.gz FIDMTBLLZQQGCL-CABCVRRESA-N 1 0 292.423 2.462 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)c1O ZINC000903393584 635090008 /nfs/dbraw/zinc/09/00/08/635090008.db2.gz PQQDTCRKZLSGNI-JBLDHEPKSA-N 1 0 251.326 2.086 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)[NH+](C)C ZINC000823663891 635247594 /nfs/dbraw/zinc/24/75/94/635247594.db2.gz RLCYDGWMOKCEPN-ZIAGYGMSSA-N 1 0 291.439 2.058 20 10 CECDRO CN(C)C(=O)O[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000824576584 635455646 /nfs/dbraw/zinc/45/56/46/635455646.db2.gz PFONXVOQPWROIX-LBPRGKRZSA-N 1 0 298.770 2.318 20 10 CECDRO OC[C@H]([C@H]([NH2+]Cc1ccccc1O)C1CC1)C1CC1 ZINC000824845092 635509654 /nfs/dbraw/zinc/50/96/54/635509654.db2.gz HOMWBWCCNVISTP-GOEBONIOSA-N 1 0 261.365 2.279 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1 ZINC000825045564 635548361 /nfs/dbraw/zinc/54/83/61/635548361.db2.gz HBNFKRPAMFZQTD-VXGBXAGGSA-N 1 0 289.379 2.416 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCC(=O)N(C)C)cc1Cl ZINC000825156567 635580235 /nfs/dbraw/zinc/58/02/35/635580235.db2.gz YWCACVVECITJIM-UHFFFAOYSA-N 1 0 284.787 2.312 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000825297379 635607716 /nfs/dbraw/zinc/60/77/16/635607716.db2.gz DDMDXVOBUWJONJ-JQWIXIFHSA-N 1 0 296.798 2.488 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)cc1 ZINC000904462587 635635763 /nfs/dbraw/zinc/63/57/63/635635763.db2.gz WXIJCMLUMWHSMI-QZTJIDSGSA-N 1 0 281.403 2.467 20 10 CECDRO CCCn1nccc1C[NH2+]Cc1cccc(OC)c1O ZINC000825915984 635731803 /nfs/dbraw/zinc/73/18/03/635731803.db2.gz GKRNBWDRJJIDHH-UHFFFAOYSA-N 1 0 275.352 2.297 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)C[C@H](C)[NH3+])cc1 ZINC000826019911 635747706 /nfs/dbraw/zinc/74/77/06/635747706.db2.gz NFGCJHCRMPEANN-ZDUSSCGKSA-N 1 0 277.412 2.229 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000826139746 635765962 /nfs/dbraw/zinc/76/59/62/635765962.db2.gz MQKVNIZXOKVZJQ-GGZOMVNGSA-N 1 0 283.755 2.333 20 10 CECDRO CO[C@@H](C[NH2+]Cc1cc(Cl)cc(C)c1O)[C@H]1CCOC1 ZINC000826822256 635854568 /nfs/dbraw/zinc/85/45/68/635854568.db2.gz OKXMCBWLTSOWJQ-FZMZJTMJSA-N 1 0 299.798 2.495 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)c1O ZINC000826822175 635855160 /nfs/dbraw/zinc/85/51/60/635855160.db2.gz MLFYJXGZYMEYJF-CABCVRRESA-N 1 0 279.380 2.096 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000826845105 635859230 /nfs/dbraw/zinc/85/92/30/635859230.db2.gz FPBNOKHQOLBTOH-LSDHHAIUSA-N 1 0 290.407 2.290 20 10 CECDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826846399 635860066 /nfs/dbraw/zinc/86/00/66/635860066.db2.gz UNNQAZGECMLCIA-NSHDSACASA-N 1 0 292.770 2.159 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1 ZINC000827699839 636398028 /nfs/dbraw/zinc/39/80/28/636398028.db2.gz MTPGZEOVMKMTFV-MLGOLLRUSA-N 1 0 279.380 2.241 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c(O)c1 ZINC000827699583 636398364 /nfs/dbraw/zinc/39/83/64/636398364.db2.gz JITRWYPCKSVLPW-LRDDRELGSA-N 1 0 279.380 2.241 20 10 CECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2=CC(=O)CS2)C[C@@H]1C ZINC000828491265 636609612 /nfs/dbraw/zinc/60/96/12/636609612.db2.gz XWYWDELAZHTDRN-WDEREUQCSA-N 1 0 282.409 2.399 20 10 CECDRO CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828668213 636651109 /nfs/dbraw/zinc/65/11/09/636651109.db2.gz ZKYHZOXIQTVMEW-ZUZCIYMTSA-N 1 0 280.368 2.096 20 10 CECDRO C[C@H]([NH3+])CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000828988519 636747501 /nfs/dbraw/zinc/74/75/01/636747501.db2.gz URSCJFGEAIZYNA-AWEZNQCLSA-N 1 0 289.423 2.276 20 10 CECDRO O=C(CC[C@@H]1CC[NH2+]C1)NCCCSc1nccs1 ZINC000829527612 636875400 /nfs/dbraw/zinc/87/54/00/636875400.db2.gz AZYADONGUWRSBW-LLVKDONJSA-N 1 0 299.465 2.131 20 10 CECDRO Cc1occc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293430 637535217 /nfs/dbraw/zinc/53/52/17/637535217.db2.gz WROAPSKFVPXXLE-OAHLLOKOSA-N 1 0 287.363 2.084 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CCCC2)cc1 ZINC000832292433 637535518 /nfs/dbraw/zinc/53/55/18/637535518.db2.gz HABPAQVRPVBKFV-HNNXBMFYSA-N 1 0 275.396 2.059 20 10 CECDRO CC[N@H+](CCC(=O)OC)Cc1ccc(C)cc1O ZINC000876631151 650367486 /nfs/dbraw/zinc/36/74/86/650367486.db2.gz QDTLZHXTQQDUBX-UHFFFAOYSA-N 1 0 251.326 2.086 20 10 CECDRO CN(C)[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000834518682 637851862 /nfs/dbraw/zinc/85/18/62/637851862.db2.gz MGNUFBIWZVKZNR-KGLIPLIRSA-N 1 0 260.381 2.309 20 10 CECDRO CSC[C@H](CCO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834597490 637886539 /nfs/dbraw/zinc/88/65/39/637886539.db2.gz GGLLTAGXFZHHQO-NWDGAFQWSA-N 1 0 267.394 2.083 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCc3n[nH]cc3C1)CC2 ZINC000834680702 637917281 /nfs/dbraw/zinc/91/72/81/637917281.db2.gz GFKZBGWIPRITTR-OCCSQVGLSA-N 1 0 269.348 2.250 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834844830 637968665 /nfs/dbraw/zinc/96/86/65/637968665.db2.gz VFYALTFXQBHYFH-RSAASHCRSA-N 1 0 297.370 2.457 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC000834888022 637978886 /nfs/dbraw/zinc/97/88/86/637978886.db2.gz CIVVIWWLSSGBLZ-SOUVJXGZSA-N 1 0 290.407 2.214 20 10 CECDRO Cc1cnc(CC[NH2+][C@@H]2CCc3cccc(O)c32)cn1 ZINC000834907881 637984991 /nfs/dbraw/zinc/98/49/91/637984991.db2.gz FFXCLMSRPBPMTO-CQSZACIVSA-N 1 0 269.348 2.310 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c(O)c1C ZINC000834910212 637985914 /nfs/dbraw/zinc/98/59/14/637985914.db2.gz VWTDKYSCOXNKMW-MLGOLLRUSA-N 1 0 276.380 2.328 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c(O)c1C ZINC000834910214 637986252 /nfs/dbraw/zinc/98/62/52/637986252.db2.gz VWTDKYSCOXNKMW-WBMJQRKESA-N 1 0 276.380 2.328 20 10 CECDRO CN(C)c1ccc(C=CC[NH2+]Cc2cc[nH]n2)cc1 ZINC000835036254 638033307 /nfs/dbraw/zinc/03/33/07/638033307.db2.gz NWTUTZUGKZFXJR-ONEGZZNKSA-N 1 0 256.353 2.279 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCCN2C)cc1 ZINC000835038922 638033902 /nfs/dbraw/zinc/03/39/02/638033902.db2.gz ZQHWQBKPEHHXSG-UKINESCASA-N 1 0 273.424 2.450 20 10 CECDRO C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)[C@H](C)CO ZINC000835041434 638035426 /nfs/dbraw/zinc/03/54/26/638035426.db2.gz XHPSRQGITKLGOG-QAMKJQMISA-N 1 0 262.397 2.372 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)C2CCN(OC)CC2)c1 ZINC000835076242 638050141 /nfs/dbraw/zinc/05/01/41/638050141.db2.gz MGMQCFLUTXSYLA-UHFFFAOYSA-N 1 0 294.395 2.249 20 10 CECDRO Cc1ccc2c(c1)O[C@H](C)CN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000876665763 650388376 /nfs/dbraw/zinc/38/83/76/650388376.db2.gz HIHSVNJGQCBHOA-DGCLKSJQSA-N 1 0 272.348 2.156 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c(O)c1 ZINC000835086397 638055836 /nfs/dbraw/zinc/05/58/36/638055836.db2.gz GZYPSBKLUHZFLQ-BXUZGUMPSA-N 1 0 265.353 2.448 20 10 CECDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCOc2cc(F)ccc21 ZINC000876667496 650389747 /nfs/dbraw/zinc/38/97/47/650389747.db2.gz FAPRWPXUGHDAOV-UXONFWTHSA-N 1 0 290.338 2.107 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000876728840 650411749 /nfs/dbraw/zinc/41/17/49/650411749.db2.gz XPHTZWKABWOOLB-HNNXBMFYSA-N 1 0 287.407 2.197 20 10 CECDRO CNC(=O)CC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876759808 650423527 /nfs/dbraw/zinc/42/35/27/650423527.db2.gz OOUDJKQQRDVFPM-UHFFFAOYSA-N 1 0 276.380 2.049 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC000876764825 650424675 /nfs/dbraw/zinc/42/46/75/650424675.db2.gz WYYUMUTUHIJCIY-GFCCVEGCSA-N 1 0 275.270 2.200 20 10 CECDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876774831 650428322 /nfs/dbraw/zinc/42/83/22/650428322.db2.gz IGCYBVRUMAFGBH-CQSZACIVSA-N 1 0 279.380 2.186 20 10 CECDRO Cc1ccc(C[NH2+]CCCOC[C@H]2CCCO2)c(O)c1 ZINC000876900778 650478861 /nfs/dbraw/zinc/47/88/61/650478861.db2.gz QVQMNVWXVJTOIY-OAHLLOKOSA-N 1 0 279.380 2.376 20 10 CECDRO Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2)c(O)c1 ZINC000876918357 650486171 /nfs/dbraw/zinc/48/61/71/650486171.db2.gz IYTRWKJMNVDXRP-OAHLLOKOSA-N 1 0 287.359 2.230 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c(O)c1 ZINC000876925850 650488699 /nfs/dbraw/zinc/48/86/99/650488699.db2.gz FFMWOXKEJNCRLC-HNNXBMFYSA-N 1 0 283.375 2.446 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cc(Cl)ccc1O ZINC000840833752 639556796 /nfs/dbraw/zinc/55/67/96/639556796.db2.gz PJKRJVYMUUFRQM-SKDRFNHKSA-N 1 0 282.771 2.222 20 10 CECDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000840888166 639574260 /nfs/dbraw/zinc/57/42/60/639574260.db2.gz BTCPNDJJWZEUQC-GFCCVEGCSA-N 1 0 285.409 2.176 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)CCO ZINC000840894093 639575316 /nfs/dbraw/zinc/57/53/16/639575316.db2.gz PBLFFNIXLSUARV-KBPBESRZSA-N 1 0 264.413 2.353 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@]2(CCO)CCOC2)c(Cl)c1 ZINC000840908926 639581532 /nfs/dbraw/zinc/58/15/32/639581532.db2.gz LXQBVVFQGKQLAA-OAHLLOKOSA-N 1 0 299.798 2.233 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(CCO)CCOCC1 ZINC000840932913 639590215 /nfs/dbraw/zinc/59/02/15/639590215.db2.gz YNVNWFSFVMLZQZ-UHFFFAOYSA-N 1 0 292.423 2.082 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000840938478 639592625 /nfs/dbraw/zinc/59/26/25/639592625.db2.gz GJRBAUYTKMJQGW-BLLLJJGKSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CC[S@](C)=O ZINC000840939050 639592862 /nfs/dbraw/zinc/59/28/62/639592862.db2.gz RPWBJCWPEKASRZ-YJYMSZOUSA-N 1 0 282.453 2.308 20 10 CECDRO COC[C@@](C)(O)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840950418 639598233 /nfs/dbraw/zinc/59/82/33/639598233.db2.gz IBXXSDCYVWIKBN-AWEZNQCLSA-N 1 0 287.787 2.231 20 10 CECDRO [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841032551 639623386 /nfs/dbraw/zinc/62/33/86/639623386.db2.gz GSLKQXCSXQVRHN-SNVBAGLBSA-N 1 0 299.212 2.244 20 10 CECDRO CCN(CC)c1ccc(CNC[C@H]2CCC[NH2+]2)cc1 ZINC000841035268 639627468 /nfs/dbraw/zinc/62/74/68/639627468.db2.gz JLRMFPCALQHVDY-OAHLLOKOSA-N 1 0 261.413 2.374 20 10 CECDRO CCOc1cccc(C[NH2+]CCc2ccc(N)cc2)n1 ZINC000841035832 639627924 /nfs/dbraw/zinc/62/79/24/639627924.db2.gz PDTWBMZZXGHBLT-UHFFFAOYSA-N 1 0 271.364 2.395 20 10 CECDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1[O-] ZINC000841035724 639627929 /nfs/dbraw/zinc/62/79/29/639627929.db2.gz HRLCZKFYKJCIBM-SECBINFHSA-N 1 0 299.758 2.043 20 10 CECDRO COC[C@@H](CC(C)C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841045918 639631257 /nfs/dbraw/zinc/63/12/57/639631257.db2.gz SQQATQOLHWBISW-NVXWUHKLSA-N 1 0 293.455 2.403 20 10 CECDRO CCOCc1cc(CN[C@@H]2C[NH2+]CC[C@H]2C)ccc1OC ZINC000841059000 639637167 /nfs/dbraw/zinc/63/71/67/639637167.db2.gz IXQVBXQAHALBCQ-CZUORRHYSA-N 1 0 292.423 2.319 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CC[NH2+]1 ZINC000841061544 639638346 /nfs/dbraw/zinc/63/83/46/639638346.db2.gz JYCXQJKCLMUKCL-ONGXEEELSA-N 1 0 299.212 2.385 20 10 CECDRO CC1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH2+]CC1 ZINC000841065073 639641174 /nfs/dbraw/zinc/64/11/74/639641174.db2.gz MIIRHUHGQGOAFE-UHFFFAOYSA-N 1 0 299.758 2.186 20 10 CECDRO C[C@H](C[C@H](C)O)[NH2+]Cc1cc(Br)ccc1O ZINC000228562072 639644496 /nfs/dbraw/zinc/64/44/96/639644496.db2.gz TYRGURJMKIJYCI-BDAKNGLRSA-N 1 0 288.185 2.404 20 10 CECDRO Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000841077073 639647481 /nfs/dbraw/zinc/64/74/81/639647481.db2.gz YDHXWYIZBWMPLZ-IUCAKERBSA-N 1 0 287.201 2.288 20 10 CECDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000228943722 639665420 /nfs/dbraw/zinc/66/54/20/639665420.db2.gz YLCIWZVHQKIAKW-VHSXEESVSA-N 1 0 268.332 2.095 20 10 CECDRO COc1cc(Cl)cc(CN(C)CCC[NH+](C)C)c1O ZINC000229120909 639677344 /nfs/dbraw/zinc/67/73/44/639677344.db2.gz DEGDCSSOAUKCNL-UHFFFAOYSA-N 1 0 286.803 2.438 20 10 CECDRO C[NH2+]CCC[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000841104432 639680018 /nfs/dbraw/zinc/68/00/18/639680018.db2.gz RMNXSQAFINIZEU-UHFFFAOYSA-N 1 0 260.740 2.226 20 10 CECDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(N)cc1 ZINC000841297975 639732154 /nfs/dbraw/zinc/73/21/54/639732154.db2.gz XBLVSPJXQPRQIY-LLVKDONJSA-N 1 0 264.373 2.121 20 10 CECDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000876996887 650525039 /nfs/dbraw/zinc/52/50/39/650525039.db2.gz HHRBYYIRVKFDFM-GFCCVEGCSA-N 1 0 278.352 2.021 20 10 CECDRO CC(C)[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000062708981 639777251 /nfs/dbraw/zinc/77/72/51/639777251.db2.gz ZKRGSWMJMVMPHG-UHFFFAOYSA-N 1 0 270.323 2.299 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1COCCO1)c1ccc(Cl)cc1O ZINC000841746163 639857488 /nfs/dbraw/zinc/85/74/88/639857488.db2.gz VVEOTQJJGBNYKU-KOLCDFICSA-N 1 0 271.744 2.112 20 10 CECDRO C[C@H]([NH2+]Cc1cnnn1C)c1ccc(Cl)cc1O ZINC000841757980 639859723 /nfs/dbraw/zinc/85/97/23/639859723.db2.gz QQHVONQMPBXDLN-QMMMGPOBSA-N 1 0 266.732 2.025 20 10 CECDRO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841756234 639860188 /nfs/dbraw/zinc/86/01/88/639860188.db2.gz WGLNTGOCVXSTQT-KOLCDFICSA-N 1 0 273.760 2.094 20 10 CECDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841756233 639860263 /nfs/dbraw/zinc/86/02/63/639860263.db2.gz WGLNTGOCVXSTQT-GXSJLCMTSA-N 1 0 273.760 2.094 20 10 CECDRO Cn1ccc(C[NH2+]Cc2cc(Br)ccc2O)n1 ZINC000231608724 639867059 /nfs/dbraw/zinc/86/70/59/639867059.db2.gz NTORTCUZSWJINO-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO C[C@@H]1CC[C@H](CN2CCCc3cc(C[NH3+])ccc32)O1 ZINC000232007581 639891384 /nfs/dbraw/zinc/89/13/84/639891384.db2.gz ZTHJXHXSWHMBOA-IUODEOHRSA-N 1 0 260.381 2.465 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841945227 639909465 /nfs/dbraw/zinc/90/94/65/639909465.db2.gz BHDDDBJDPBBIJX-AWEZNQCLSA-N 1 0 291.395 2.051 20 10 CECDRO [NH3+]CCN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000842471741 640070672 /nfs/dbraw/zinc/07/06/72/640070672.db2.gz WLZYCDIHOBRMOP-UHFFFAOYSA-N 1 0 260.259 2.297 20 10 CECDRO CCC[N@@H+]1CCC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000913726848 640084320 /nfs/dbraw/zinc/08/43/20/640084320.db2.gz YHNZCYPULUFKRS-AWEZNQCLSA-N 1 0 288.391 2.356 20 10 CECDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(C)cc2O)o1 ZINC000877060232 650553593 /nfs/dbraw/zinc/55/35/93/650553593.db2.gz VQPUUWLPWXOIGV-AWEZNQCLSA-N 1 0 261.321 2.425 20 10 CECDRO COc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1C ZINC000842759568 640172310 /nfs/dbraw/zinc/17/23/10/640172310.db2.gz XRKPXRJWJCTBTQ-KRWDZBQOSA-N 1 0 293.407 2.271 20 10 CECDRO COC(C)(C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877067687 650557213 /nfs/dbraw/zinc/55/72/13/650557213.db2.gz KUHPSFAFRIKDHC-UHFFFAOYSA-N 1 0 292.423 2.162 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1COC[C@H]1OC)c1ccc(N(C)C)cc1 ZINC000842911892 640220575 /nfs/dbraw/zinc/22/05/75/640220575.db2.gz ODQMTVHIFBGAKE-BZUAXINKSA-N 1 0 278.396 2.207 20 10 CECDRO C[NH2+]C[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843044041 640249908 /nfs/dbraw/zinc/24/99/08/640249908.db2.gz ARXMFNYZVWCLFR-CQSZACIVSA-N 1 0 279.403 2.323 20 10 CECDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cccc(F)c1O ZINC000843045888 640251244 /nfs/dbraw/zinc/25/12/44/640251244.db2.gz LMRPJZBWUYTYPX-GWCFXTLKSA-N 1 0 252.333 2.233 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]([NH3+])C2)c(C(F)(F)F)c1 ZINC000843045587 640251582 /nfs/dbraw/zinc/25/15/82/640251582.db2.gz VRXXHGMEBBEQES-LLVKDONJSA-N 1 0 287.329 2.304 20 10 CECDRO C[NH2+][C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843048594 640253845 /nfs/dbraw/zinc/25/38/45/640253845.db2.gz JIGRADKGQISKMD-ZDUSSCGKSA-N 1 0 265.376 2.076 20 10 CECDRO C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052262 640256337 /nfs/dbraw/zinc/25/63/37/640256337.db2.gz RGCUOZWOCKUNFT-RISCZKNCSA-N 1 0 265.376 2.061 20 10 CECDRO C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843052787 640256662 /nfs/dbraw/zinc/25/66/62/640256662.db2.gz WEOIMXPFCYTYMB-QWRGUYRKSA-N 1 0 252.333 2.091 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CC[C@H]1[NH3+] ZINC000843052742 640256702 /nfs/dbraw/zinc/25/67/02/640256702.db2.gz SHKFXQWVRZXZSE-GXFFZTMASA-N 1 0 252.333 2.091 20 10 CECDRO CCC[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1O ZINC000843057325 640259600 /nfs/dbraw/zinc/25/96/00/640259600.db2.gz CDKOYKRAQFIVOM-CYBMUJFWSA-N 1 0 252.333 2.105 20 10 CECDRO CCc1nn(C)cc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843058637 640261495 /nfs/dbraw/zinc/26/14/95/640261495.db2.gz YCZFYZGBLCTPNI-UHFFFAOYSA-N 1 0 284.407 2.394 20 10 CECDRO Oc1ccc(F)cc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843123650 640290245 /nfs/dbraw/zinc/29/02/45/640290245.db2.gz MGACDMVUYKWFNK-OAHLLOKOSA-N 1 0 264.344 2.107 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CC[NH2+]C[C@](C)(F)C2)cc1 ZINC000843124557 640290464 /nfs/dbraw/zinc/29/04/64/640290464.db2.gz CAAHFYIPGMUTAH-BDUNBXCCSA-N 1 0 291.414 2.399 20 10 CECDRO CN(C)c1ccc(CN2CC[NH2+]C[C@@](C)(F)C2)cc1F ZINC000843125259 640292526 /nfs/dbraw/zinc/29/25/26/640292526.db2.gz PUFOTKVGYYRKJY-OAHLLOKOSA-N 1 0 283.366 2.025 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1O ZINC000843129893 640296265 /nfs/dbraw/zinc/29/62/65/640296265.db2.gz SRXJBXQYGXYVLA-RKDXNWHRSA-N 1 0 272.776 2.270 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c(O)c1 ZINC000877095508 650570009 /nfs/dbraw/zinc/57/00/09/650570009.db2.gz ZXBOYBBPAKJSCX-GXTWGEPZSA-N 1 0 260.381 2.415 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c1O ZINC000843353769 640400636 /nfs/dbraw/zinc/40/06/36/640400636.db2.gz PSCNPJKPLVRVNW-LKFCYVNXSA-N 1 0 296.798 2.417 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000843414775 640419460 /nfs/dbraw/zinc/41/94/60/640419460.db2.gz MPZANZJVLJWCCK-ZDUSSCGKSA-N 1 0 288.326 2.008 20 10 CECDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000843489276 640442177 /nfs/dbraw/zinc/44/21/77/640442177.db2.gz LWAVBYHJUWWTMO-NSHDSACASA-N 1 0 294.395 2.343 20 10 CECDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(N(C)C)n1 ZINC000877117506 650579843 /nfs/dbraw/zinc/57/98/43/650579843.db2.gz FLIINPMNUJEWQC-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c(O)c1 ZINC000877132819 650588192 /nfs/dbraw/zinc/58/81/92/650588192.db2.gz OKUNPWRRNWALRT-GDBMZVCRSA-N 1 0 277.364 2.128 20 10 CECDRO COC(=O)C1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000915795544 640615295 /nfs/dbraw/zinc/61/52/95/640615295.db2.gz NXSYGIDRGOFKIW-UHFFFAOYSA-N 1 0 293.363 2.094 20 10 CECDRO CC[C@@H](SC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844163223 640621315 /nfs/dbraw/zinc/62/13/15/640621315.db2.gz VVDSKXPACXIPDT-UONOGXRCSA-N 1 0 295.452 2.010 20 10 CECDRO Nc1ccc(CCNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000844164397 640622440 /nfs/dbraw/zinc/62/24/40/640622440.db2.gz GETSPEFFUIGXKV-UHFFFAOYSA-N 1 0 289.423 2.194 20 10 CECDRO C[C@H](CNC(=O)Cc1ccc(N)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000844171220 640623531 /nfs/dbraw/zinc/62/35/31/640623531.db2.gz HABVOROWJKVLDT-UONOGXRCSA-N 1 0 289.423 2.190 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(C3(O)CC3)CC2)cc1 ZINC000844363844 640692905 /nfs/dbraw/zinc/69/29/05/640692905.db2.gz WUKLAHWGODEABR-UHFFFAOYSA-N 1 0 274.408 2.490 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000154143809 640813437 /nfs/dbraw/zinc/81/34/37/640813437.db2.gz CXPOFBHJPMNYQR-AWEZNQCLSA-N 1 0 276.380 2.273 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1F ZINC000844902469 640860094 /nfs/dbraw/zinc/86/00/94/640860094.db2.gz NFWPNNLJNXAYBE-YOEHRIQHSA-N 1 0 291.414 2.453 20 10 CECDRO [NH3+]CC1(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000844903878 640861270 /nfs/dbraw/zinc/86/12/70/640861270.db2.gz QRXFQTIJHZYQBI-UHFFFAOYSA-N 1 0 272.751 2.403 20 10 CECDRO COCC[N@@H+]1CCN(Cc2cc(F)ccc2O)C(C)(C)C1 ZINC000846102314 641180596 /nfs/dbraw/zinc/18/05/96/641180596.db2.gz CZHLZKNPBYUSMW-UHFFFAOYSA-N 1 0 296.386 2.074 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCC1(CO)CCC1 ZINC000846102292 641182338 /nfs/dbraw/zinc/18/23/38/641182338.db2.gz LJPIHXBATDMSIP-UHFFFAOYSA-N 1 0 265.353 2.043 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)CCO)c1O ZINC000846111493 641185993 /nfs/dbraw/zinc/18/59/93/641185993.db2.gz QBBAGLGFPXXFSH-VIFPVBQESA-N 1 0 273.760 2.257 20 10 CECDRO CCOCCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846136607 641197882 /nfs/dbraw/zinc/19/78/82/641197882.db2.gz IDRVYQJIJGHPJH-LLVKDONJSA-N 1 0 253.342 2.478 20 10 CECDRO COCCCN(C)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846146233 641201628 /nfs/dbraw/zinc/20/16/28/641201628.db2.gz OPGOZJMNZKJCJD-ZDUSSCGKSA-N 1 0 296.411 2.020 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CCN2CCCC2=O)c2c1c(F)ccc2O ZINC000846205115 641220901 /nfs/dbraw/zinc/22/09/01/641220901.db2.gz FAVAIJPBWWLUNQ-PWSUYJOCSA-N 1 0 292.354 2.292 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000846205713 641220930 /nfs/dbraw/zinc/22/09/30/641220930.db2.gz KIGFJJXZHXFXGM-STQMWFEESA-N 1 0 288.391 2.362 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c(O)c1 ZINC000846212876 641223933 /nfs/dbraw/zinc/22/39/33/641223933.db2.gz NIASVGDXEBVLKQ-BBRMVZONSA-N 1 0 279.380 2.283 20 10 CECDRO [NH3+]C1(C(=O)NCCCSc2nccs2)CCCC1 ZINC000237790130 641383775 /nfs/dbraw/zinc/38/37/75/641383775.db2.gz RAGPZSPCBPFPPW-UHFFFAOYSA-N 1 0 285.438 2.013 20 10 CECDRO C[C@@H]1CC[N@H+](CC(=O)NCCCSc2nccs2)C1 ZINC000847488454 641672861 /nfs/dbraw/zinc/67/28/61/641672861.db2.gz YAADQPOIAMVVIJ-LLVKDONJSA-N 1 0 299.465 2.083 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000847500488 641676573 /nfs/dbraw/zinc/67/65/73/641676573.db2.gz LBFHHWHZPCXWTH-ZDUSSCGKSA-N 1 0 289.423 2.019 20 10 CECDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183385164 641733002 /nfs/dbraw/zinc/73/30/02/641733002.db2.gz HSXGHLZSOFBXKJ-LSDHHAIUSA-N 1 0 292.423 2.400 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccnn2C)c1 ZINC000184014764 641826997 /nfs/dbraw/zinc/82/69/97/641826997.db2.gz DLHKKQYAYKSPAD-NSHDSACASA-N 1 0 275.352 2.028 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccnn2C)c1 ZINC000184011824 641827436 /nfs/dbraw/zinc/82/74/36/641827436.db2.gz OHILMZFQZPQJIK-LBPRGKRZSA-N 1 0 259.353 2.327 20 10 CECDRO C[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000126493797 650697153 /nfs/dbraw/zinc/69/71/53/650697153.db2.gz XCZWRTHGTWIZLU-LBPRGKRZSA-N 1 0 277.412 2.318 20 10 CECDRO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185330107 641964539 /nfs/dbraw/zinc/96/45/39/641964539.db2.gz PZZLYERLCPPSJP-CABCVRRESA-N 1 0 292.423 2.462 20 10 CECDRO CCc1cccc(CN2CC[NH+](CC3CC3)CC2)c1O ZINC000848881881 642168465 /nfs/dbraw/zinc/16/84/65/642168465.db2.gz JEAPLHHPPYMHFP-UHFFFAOYSA-N 1 0 274.408 2.482 20 10 CECDRO CCc1cccc(C[N@@H+]2CCSC[C@H]2CCO)c1O ZINC000848889360 642173284 /nfs/dbraw/zinc/17/32/84/642173284.db2.gz IURUDIKEENQJAQ-CQSZACIVSA-N 1 0 281.421 2.254 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H]2CCCN2CCOC)c1O ZINC000848894947 642175544 /nfs/dbraw/zinc/17/55/44/642175544.db2.gz IPNDUSXXSLGZON-MRXNPFEDSA-N 1 0 292.423 2.155 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCc3n[nH]cc3C2)c1O ZINC000848897513 642176577 /nfs/dbraw/zinc/17/65/77/642176577.db2.gz QTLNDOOVCXGCOQ-AWEZNQCLSA-N 1 0 271.364 2.325 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000848897841 642177194 /nfs/dbraw/zinc/17/71/94/642177194.db2.gz NCRZJQXYCALTDX-AWEZNQCLSA-N 1 0 290.407 2.444 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1O ZINC000848898570 642178341 /nfs/dbraw/zinc/17/83/41/642178341.db2.gz WENUBRLVJLPOHX-GLQYFDAESA-N 1 0 288.391 2.054 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)c2nnc3n2CCC3)c1O ZINC000848900806 642178940 /nfs/dbraw/zinc/17/89/40/642178940.db2.gz KCEHKIIHUZPFJH-NSHDSACASA-N 1 0 286.379 2.343 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)c1O ZINC000848905011 642181244 /nfs/dbraw/zinc/18/12/44/642181244.db2.gz FPZSMFCSBDODSS-FZMZJTMJSA-N 1 0 277.364 2.338 20 10 CECDRO CCc1cccc(C[N@H+](C)C[C@H](O)C(F)(F)F)c1O ZINC000848912863 642187120 /nfs/dbraw/zinc/18/71/20/642187120.db2.gz XXESTCQIIGETFL-NSHDSACASA-N 1 0 277.286 2.310 20 10 CECDRO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cccc(CC)c2O)C1 ZINC000848913773 642187559 /nfs/dbraw/zinc/18/75/59/642187559.db2.gz DRECXEHGJMUVDP-AWEZNQCLSA-N 1 0 295.354 2.288 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1O ZINC000848920146 642193028 /nfs/dbraw/zinc/19/30/28/642193028.db2.gz YOKINJANJJBHNK-HNNXBMFYSA-N 1 0 298.390 2.431 20 10 CECDRO C[C@@H](C[NH2+]Cc1cc(F)ccc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848924235 642195662 /nfs/dbraw/zinc/19/56/62/642195662.db2.gz YIJNOOHBQKQGIY-RWMBFGLXSA-N 1 0 296.386 2.119 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000877462411 650729827 /nfs/dbraw/zinc/72/98/27/650729827.db2.gz PVJVCJOLFUOMEB-HNNXBMFYSA-N 1 0 271.360 2.394 20 10 CECDRO Cc1nccn1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921626649 642286987 /nfs/dbraw/zinc/28/69/87/642286987.db2.gz AOQQIISEZFXUOD-UHFFFAOYSA-N 1 0 271.364 2.306 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c(O)c1 ZINC000877504071 650754589 /nfs/dbraw/zinc/75/45/89/650754589.db2.gz FSGCJKRMOYJPRT-ZDUSSCGKSA-N 1 0 298.390 2.452 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(C)cc2O)o1 ZINC000877526622 650766935 /nfs/dbraw/zinc/76/69/35/650766935.db2.gz KYCXKTXCJGMAGN-UHFFFAOYSA-N 1 0 275.304 2.370 20 10 CECDRO C[C@H]1CC[NH2+][C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000126567609 650773811 /nfs/dbraw/zinc/77/38/11/650773811.db2.gz QJQUTXNVHFJQCX-BBRMVZONSA-N 1 0 289.423 2.099 20 10 CECDRO COc1cccc(C[NH2+]C2CC(n3cccn3)C2)c1O ZINC000877526926 650768461 /nfs/dbraw/zinc/76/84/61/650768461.db2.gz WIVINOWQKXZXSA-UHFFFAOYSA-N 1 0 273.336 2.091 20 10 CECDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850342209 642672939 /nfs/dbraw/zinc/67/29/39/642672939.db2.gz DIWXEVMGYFKPPP-LBPRGKRZSA-N 1 0 292.379 2.083 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCC1CC(OC)C1 ZINC000850341295 642673447 /nfs/dbraw/zinc/67/34/47/642673447.db2.gz GBDNWIRWZBGITI-UHFFFAOYSA-N 1 0 265.353 2.306 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)cc1C ZINC000850344682 642674077 /nfs/dbraw/zinc/67/40/77/642674077.db2.gz SEYYAVMPAHOTPJ-GOEBONIOSA-N 1 0 279.380 2.145 20 10 CECDRO COC[C@H](CC[NH2+]Cc1cc(C)c(C)cc1O)OC ZINC000850345445 642674365 /nfs/dbraw/zinc/67/43/65/642674365.db2.gz AJXINLMTONWADE-AWEZNQCLSA-N 1 0 267.369 2.150 20 10 CECDRO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CO1 ZINC000850347110 642675189 /nfs/dbraw/zinc/67/51/89/642675189.db2.gz NNDHOFZHOAKYKM-SQWLQELKSA-N 1 0 290.407 2.431 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H](CO)C2CCC2)cc1F ZINC000850351092 642677469 /nfs/dbraw/zinc/67/74/69/642677469.db2.gz YDCYSINIQUVJLJ-CQSZACIVSA-N 1 0 266.360 2.142 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000850356370 642679911 /nfs/dbraw/zinc/67/99/11/642679911.db2.gz OVIJNTMYTSYRMF-XAAFQQQXSA-N 1 0 297.420 2.180 20 10 CECDRO CN(C)c1ccc(C[NH2+]C/C=C\CO)c(C(F)(F)F)c1 ZINC000850357609 642681152 /nfs/dbraw/zinc/68/11/52/642681152.db2.gz POPOCEIVFVZETH-ARJAWSKDSA-N 1 0 288.313 2.410 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1C[C@@H](O)c3ccccc31)OCO2 ZINC000850372244 642686091 /nfs/dbraw/zinc/68/60/91/642686091.db2.gz RSFGNPBVXAQITJ-UKRRQHHQSA-N 1 0 299.326 2.389 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1 ZINC000850388375 642695636 /nfs/dbraw/zinc/69/56/36/642695636.db2.gz LWLJQVQDBWDURA-CABCVRRESA-N 1 0 277.364 2.184 20 10 CECDRO COc1ccc(N2CCC([NH2+]Cc3ncccn3)CC2)cc1 ZINC000850393722 642698316 /nfs/dbraw/zinc/69/83/16/642698316.db2.gz FWVCUJJGFHSHEZ-UHFFFAOYSA-N 1 0 298.390 2.244 20 10 CECDRO CC(C)(C)N1C[C@@H](C[NH2+]Cc2ccccc2O)CC1=O ZINC000850397377 642700305 /nfs/dbraw/zinc/70/03/05/642700305.db2.gz WXIBIGFIIKQNKO-GFCCVEGCSA-N 1 0 276.380 2.129 20 10 CECDRO OC1CCN(c2ccc(C[NH2+]Cc3cc[nH]c3)cc2)CC1 ZINC000850406276 642702251 /nfs/dbraw/zinc/70/22/51/642702251.db2.gz ZRRQMKRYDCFILR-UHFFFAOYSA-N 1 0 285.391 2.266 20 10 CECDRO Cn1cccc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406019 642702819 /nfs/dbraw/zinc/70/28/19/642702819.db2.gz OLXWXXGVOYVJQJ-UHFFFAOYSA-N 1 0 299.418 2.276 20 10 CECDRO OC1CCN(c2ccc(C[NH+]3CC(C4CC4)C3)cc2)CC1 ZINC000877542528 650778018 /nfs/dbraw/zinc/77/80/18/650778018.db2.gz SOKMCPSUPFBPNF-UHFFFAOYSA-N 1 0 286.419 2.490 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000850489935 642730380 /nfs/dbraw/zinc/73/03/80/642730380.db2.gz YGBJYHXMYPOVDD-ZIAGYGMSSA-N 1 0 276.380 2.043 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CCCO3)C2)cc1 ZINC000850489439 642730500 /nfs/dbraw/zinc/73/05/00/642730500.db2.gz UPRHFWSOJWXQLY-JKIFEVAISA-N 1 0 290.407 2.431 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)c1O ZINC000850521237 642738186 /nfs/dbraw/zinc/73/81/86/642738186.db2.gz RRTMTJJYSHKBCN-SKDRFNHKSA-N 1 0 287.306 2.476 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000850545381 642747209 /nfs/dbraw/zinc/74/72/09/642747209.db2.gz GSHPEMWNUDQMGT-COLVAYQJSA-N 1 0 277.364 2.355 20 10 CECDRO OC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)CC1CC1 ZINC000850546421 642748769 /nfs/dbraw/zinc/74/87/69/642748769.db2.gz ZPSCJIIKKAXUTB-JSGCOSHPSA-N 1 0 261.365 2.378 20 10 CECDRO CCOC1CC(O)(C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922065657 642862661 /nfs/dbraw/zinc/86/26/61/642862661.db2.gz LHXLGCZXETVNJU-UHFFFAOYSA-N 1 0 291.391 2.031 20 10 CECDRO CC(C)CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109769023 642925189 /nfs/dbraw/zinc/92/51/89/642925189.db2.gz ALVBNYIEBQXMND-ZDUSSCGKSA-N 1 0 278.396 2.375 20 10 CECDRO C[N@H+](CC(=O)NC(C1CC1)C1CC1)Cc1ccccc1O ZINC000109773657 642926199 /nfs/dbraw/zinc/92/61/99/642926199.db2.gz CRXZXWSVGZAKPQ-UHFFFAOYSA-N 1 0 288.391 2.129 20 10 CECDRO COC(=O)[C@H]1CSCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877592520 650805479 /nfs/dbraw/zinc/80/54/79/650805479.db2.gz IBZVTLUUJCDMOO-GFCCVEGCSA-N 1 0 295.404 2.039 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H](O)C(F)(F)F ZINC000922310709 643018058 /nfs/dbraw/zinc/01/80/58/643018058.db2.gz ZPAVCBPBPSBJJA-NOZJJQNGSA-N 1 0 289.297 2.413 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000877597248 650808148 /nfs/dbraw/zinc/80/81/48/650808148.db2.gz FLAYZIFDHHKHJQ-CYBMUJFWSA-N 1 0 272.352 2.129 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cc(N(C)C)ccn2)c1 ZINC000922478360 643088467 /nfs/dbraw/zinc/08/84/67/643088467.db2.gz MJLBKBRIFJNDOZ-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO C[C@@H]1[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)CCN1C ZINC000922554305 643123242 /nfs/dbraw/zinc/12/32/42/643123242.db2.gz INFFTKSXSINOMC-DETOXJSWSA-N 1 0 273.424 2.448 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)c(O)c1 ZINC000877623269 650818739 /nfs/dbraw/zinc/81/87/39/650818739.db2.gz KGRCSEQDFIBFDC-PWSUYJOCSA-N 1 0 258.325 2.088 20 10 CECDRO C[N@H+](Cc1ccccc1O)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000851841453 643187101 /nfs/dbraw/zinc/18/71/01/643187101.db2.gz SHOPSRWBEUNGJU-NWANDNLSSA-N 1 0 288.391 2.271 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c(Cl)c1 ZINC000922725256 643225173 /nfs/dbraw/zinc/22/51/73/643225173.db2.gz JIKCUSBYAXKPDJ-ZETOZRRWSA-N 1 0 297.782 2.248 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922809672 643276036 /nfs/dbraw/zinc/27/60/36/643276036.db2.gz NCEMKCCISMPWBH-AWEZNQCLSA-N 1 0 277.364 2.210 20 10 CECDRO C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCS1 ZINC000922843102 643289758 /nfs/dbraw/zinc/28/97/58/643289758.db2.gz PJJXGIPKGAXDBD-GXSJLCMTSA-N 1 0 281.377 2.495 20 10 CECDRO CCOC(=O)c1ccc(C[NH2+]Cc2cc(C)ccc2O)[nH]1 ZINC000877652355 650834914 /nfs/dbraw/zinc/83/49/14/650834914.db2.gz HFVHWXOTBTXJFF-UHFFFAOYSA-N 1 0 288.347 2.495 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000852465360 643434261 /nfs/dbraw/zinc/43/42/61/643434261.db2.gz FJLWLLJCSMECHI-ZDUSSCGKSA-N 1 0 291.395 2.064 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877683257 650848456 /nfs/dbraw/zinc/84/84/56/650848456.db2.gz VGGVRZKGCXEARH-GRPXYMBPSA-N 1 0 263.312 2.044 20 10 CECDRO CN(C(=O)C=C1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000852824362 643565458 /nfs/dbraw/zinc/56/54/58/643565458.db2.gz VJJBZXMBJHNCSY-UHFFFAOYSA-N 1 0 266.291 2.237 20 10 CECDRO Cc1cc(C)c2c(c1)N(C(=O)C=C1CC[NH2+]CC1)CCO2 ZINC000852896154 643593038 /nfs/dbraw/zinc/59/30/38/643593038.db2.gz UIZWGYZAIYQNOA-UHFFFAOYSA-N 1 0 286.375 2.339 20 10 CECDRO Cc1ccc(C[NH+]2CCC(CCO)(CCO)CC2)c(O)c1 ZINC000877691264 650853004 /nfs/dbraw/zinc/85/30/04/650853004.db2.gz JOLHVTSZFHBYAI-UHFFFAOYSA-N 1 0 293.407 2.048 20 10 CECDRO COc1ccccc1[C@H](O)C[NH2+]Cc1ccccc1O ZINC000853092779 643650252 /nfs/dbraw/zinc/65/02/52/643650252.db2.gz MNMWILUSVBNILF-OAHLLOKOSA-N 1 0 273.332 2.224 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1N(C)C ZINC000923392226 643691241 /nfs/dbraw/zinc/69/12/41/643691241.db2.gz ITRCPSYPQKBMEU-UKRRQHHQSA-N 1 0 261.413 2.373 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c1 ZINC000853541103 643808761 /nfs/dbraw/zinc/80/87/61/643808761.db2.gz PAMNAFYTNITEKY-CQSZACIVSA-N 1 0 290.363 2.036 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1 ZINC000853565703 643814306 /nfs/dbraw/zinc/81/43/06/643814306.db2.gz IWQSYCMXAAUSSE-ZBFHGGJFSA-N 1 0 261.365 2.477 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2C[C@H]3C[C@@]3(C(=O)OC)C2)c1O ZINC000877724436 650872408 /nfs/dbraw/zinc/87/24/08/650872408.db2.gz KNKCUNXUGSXICC-JJRVBVJISA-N 1 0 289.375 2.386 20 10 CECDRO C[NH2+]C[C@H](C)N[C@@H](C)c1cc(Br)ccc1O ZINC000854232787 644019778 /nfs/dbraw/zinc/01/97/78/644019778.db2.gz UENFLBOZJZJWPR-IUCAKERBSA-N 1 0 287.201 2.413 20 10 CECDRO Cc1noc(C2C[NH+](Cc3cc(C)c(C)cc3O)C2)n1 ZINC000839131689 644169139 /nfs/dbraw/zinc/16/91/39/644169139.db2.gz YIVPGVIUWLJKAG-UHFFFAOYSA-N 1 0 273.336 2.300 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CC3(C2)CCOCC3)c1 ZINC000839141456 644172727 /nfs/dbraw/zinc/17/27/27/644172727.db2.gz PRTIXMFJBJXSEG-UHFFFAOYSA-N 1 0 277.364 2.403 20 10 CECDRO CCCNC(=O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756355044 644634313 /nfs/dbraw/zinc/63/43/13/644634313.db2.gz GDHSMFFWUYPHNJ-KOLCDFICSA-N 1 0 280.343 2.195 20 10 CECDRO CC(C)C(=O)NCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756371657 644637726 /nfs/dbraw/zinc/63/77/26/644637726.db2.gz MIGASMHWYMTHJX-PWSUYJOCSA-N 1 0 294.370 2.441 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)c1 ZINC000756433542 644648872 /nfs/dbraw/zinc/64/88/72/644648872.db2.gz PWWHHUMLOBZVFJ-NHYWBVRUSA-N 1 0 278.396 2.392 20 10 CECDRO COC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756595689 644673740 /nfs/dbraw/zinc/67/37/40/644673740.db2.gz YCRGDGJLMNGJND-JBLDHEPKSA-N 1 0 283.343 2.067 20 10 CECDRO C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cc(F)ccc1O ZINC000756740711 644688372 /nfs/dbraw/zinc/68/83/72/644688372.db2.gz SSJFWUKMVCHBSS-RNCFNFMXSA-N 1 0 253.317 2.343 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756776128 644691275 /nfs/dbraw/zinc/69/12/75/644691275.db2.gz WPRGWVYLXLGWBX-IRUJWGPZSA-N 1 0 280.343 2.097 20 10 CECDRO Cn1cc(C[NH2+]Cc2ccccc2O)c(Cl)n1 ZINC000856768810 644716010 /nfs/dbraw/zinc/71/60/10/644716010.db2.gz NBDKTTHVHYJGPY-UHFFFAOYSA-N 1 0 251.717 2.069 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@H](CO)C2)cc1C ZINC000857061108 644806148 /nfs/dbraw/zinc/80/61/48/644806148.db2.gz KANXBYMLXYHMRA-NHYWBVRUSA-N 1 0 263.381 2.459 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)NCC[C@H](C)[NH3+] ZINC000857107840 644818910 /nfs/dbraw/zinc/81/89/10/644818910.db2.gz JXSMFWCJUXREHN-ZDUSSCGKSA-N 1 0 293.411 2.441 20 10 CECDRO C[C@H](C[S@](C)=O)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000757659323 644832575 /nfs/dbraw/zinc/83/25/75/644832575.db2.gz YGBHBSZZFXGGMU-FQBUZYRESA-N 1 0 285.384 2.436 20 10 CECDRO COc1ccc(N2CCC([NH2+]C3CC(OC)C3)CC2)cc1 ZINC000757678853 644835005 /nfs/dbraw/zinc/83/50/05/644835005.db2.gz JFEFWRBJPIINBV-UHFFFAOYSA-N 1 0 290.407 2.431 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000759173561 644991502 /nfs/dbraw/zinc/99/15/02/644991502.db2.gz QBOWMISSNDHGEC-GDBMZVCRSA-N 1 0 279.380 2.287 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCc3n[nH]cc3C2)cc1C ZINC000857876835 644994232 /nfs/dbraw/zinc/99/42/32/644994232.db2.gz VSQFYFAMQLEDFD-UHFFFAOYSA-N 1 0 257.337 2.290 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@@H](C)O ZINC000858172406 645080861 /nfs/dbraw/zinc/08/08/61/645080861.db2.gz SYYYNJAFVHJIQW-RNCFNFMXSA-N 1 0 272.339 2.280 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CCc2cn(C)cn2)cc1F ZINC000858176021 645081593 /nfs/dbraw/zinc/08/15/93/645081593.db2.gz IGRPVVKAELGBNM-UHFFFAOYSA-N 1 0 294.349 2.097 20 10 CECDRO CC[N@H+](CCNC(=O)NCc1cc(C)ccc1O)C(C)C ZINC000858195420 645086255 /nfs/dbraw/zinc/08/62/55/645086255.db2.gz VZWFEUQKLWMZIT-UHFFFAOYSA-N 1 0 293.411 2.230 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2nc(C)ccc2O)c1 ZINC000858237664 645095587 /nfs/dbraw/zinc/09/55/87/645095587.db2.gz OPPKYZISUKCFQJ-UHFFFAOYSA-N 1 0 258.321 2.399 20 10 CECDRO C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Cl)ccc1O ZINC000858434450 645157680 /nfs/dbraw/zinc/15/76/80/645157680.db2.gz HEGFRFHJATTWAY-CABZTGNLSA-N 1 0 295.770 2.163 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000858470569 645171843 /nfs/dbraw/zinc/17/18/43/645171843.db2.gz IZKHQCSLEMVYMS-CHWSQXEVSA-N 1 0 273.332 2.231 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000858471138 645172484 /nfs/dbraw/zinc/17/24/84/645172484.db2.gz BLCSYDFCTUXCDC-CMPLNLGQSA-N 1 0 291.347 2.313 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Cl)ccc1O ZINC000858522829 645190672 /nfs/dbraw/zinc/19/06/72/645190672.db2.gz IHGAIRJYPPZJLL-OCCSQVGLSA-N 1 0 298.814 2.417 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2COCCN2C)c1O ZINC000858523785 645191049 /nfs/dbraw/zinc/19/10/49/645191049.db2.gz UYDFZGJFTHPRIQ-DGCLKSJQSA-N 1 0 298.814 2.335 20 10 CECDRO CN(Cc1cocn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000763192775 645513361 /nfs/dbraw/zinc/51/33/61/645513361.db2.gz KOJSPNGOBGHLLT-UHFFFAOYSA-N 1 0 275.352 2.251 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000766030738 645838240 /nfs/dbraw/zinc/83/82/40/645838240.db2.gz WYOLXCACJCDZOF-HNNXBMFYSA-N 1 0 273.424 2.387 20 10 CECDRO CCOC1CC(O)(C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000767740502 646035019 /nfs/dbraw/zinc/03/50/19/646035019.db2.gz VUNQVZAYXUDPIJ-UHFFFAOYSA-N 1 0 285.771 2.065 20 10 CECDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC1CCCC1 ZINC000768439440 646122213 /nfs/dbraw/zinc/12/22/13/646122213.db2.gz HMKJOERLRYLHAO-OAHLLOKOSA-N 1 0 277.364 2.440 20 10 CECDRO CC(C)CC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439259 646122842 /nfs/dbraw/zinc/12/28/42/646122842.db2.gz FEMGRIBFCYHKLC-CQSZACIVSA-N 1 0 265.353 2.296 20 10 CECDRO CC[C@H](C)C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444399 646123631 /nfs/dbraw/zinc/12/36/31/646123631.db2.gz AUOSGEKOHYULEF-HZMBPMFUSA-N 1 0 265.353 2.296 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3CC3)C1)[C@H](O)CO2 ZINC000768465708 646128484 /nfs/dbraw/zinc/12/84/84/646128484.db2.gz QQKVEBNTLRKNDH-IAQYHMDHSA-N 1 0 275.348 2.050 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCC2CCS(=O)(=O)CC2)c1 ZINC000768648904 646150838 /nfs/dbraw/zinc/15/08/38/646150838.db2.gz AFUVUJINJLRTMR-UHFFFAOYSA-N 1 0 297.420 2.005 20 10 CECDRO COc1cccc(O)c1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000768900801 646179896 /nfs/dbraw/zinc/17/98/96/646179896.db2.gz JLEVWSDMLQSGSQ-CQSZACIVSA-N 1 0 290.407 2.461 20 10 CECDRO CCOc1ccc(C[N@H+](C[C@@H](C)O)C(C)C)c(O)c1 ZINC000769343647 646249352 /nfs/dbraw/zinc/24/93/52/646249352.db2.gz RTBDWYNFAFCTTE-GFCCVEGCSA-N 1 0 267.369 2.382 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCNc1cccc(C)n1 ZINC000769401151 646261160 /nfs/dbraw/zinc/26/11/60/646261160.db2.gz PQTFVOTWXRJEEV-UHFFFAOYSA-N 1 0 287.363 2.306 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCSC[C@H]2CCO)c1O ZINC000770305713 646378324 /nfs/dbraw/zinc/37/83/24/646378324.db2.gz JIYZEODFKBBEHM-CYBMUJFWSA-N 1 0 297.420 2.091 20 10 CECDRO CN(C)c1cc(F)c(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1F ZINC000862385109 646430054 /nfs/dbraw/zinc/43/00/54/646430054.db2.gz FBFKEFLQHQCBGF-MEDUHNTESA-N 1 0 295.377 2.167 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1C ZINC000770751798 646433973 /nfs/dbraw/zinc/43/39/73/646433973.db2.gz DELLRQKNFQWMHY-RDJZCZTQSA-N 1 0 291.391 2.431 20 10 CECDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862396070 646437042 /nfs/dbraw/zinc/43/70/42/646437042.db2.gz GQIXRLRNOBHFNX-VXGBXAGGSA-N 1 0 298.377 2.481 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cc1F ZINC000862416060 646450823 /nfs/dbraw/zinc/45/08/23/646450823.db2.gz LOSMWPMYIGVAOA-WBMJQRKESA-N 1 0 296.361 2.499 20 10 CECDRO CC(C)CC[C@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000862480253 646474371 /nfs/dbraw/zinc/47/43/71/646474371.db2.gz ARVWWZIOMPLQKY-CYBMUJFWSA-N 1 0 255.333 2.418 20 10 CECDRO COC[C@@]1(C)C[N@H+](Cc2ccc(N(C)C)cc2C)CCO1 ZINC000862552340 646496185 /nfs/dbraw/zinc/49/61/85/646496185.db2.gz WQUOUWKKVZLCTR-QGZVFWFLSA-N 1 0 292.423 2.298 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)CC2(C)COC2)c1O ZINC000863299294 646698980 /nfs/dbraw/zinc/69/89/80/646698980.db2.gz GWWAUKZNKGXPHC-UHFFFAOYSA-N 1 0 265.353 2.178 20 10 CECDRO CN(C)c1ccc(CN[C@@H]2CC[NH2+]C23CCC3)cc1F ZINC000863481516 646739481 /nfs/dbraw/zinc/73/94/81/646739481.db2.gz FYBKEBBZAGTRJQ-OAHLLOKOSA-N 1 0 277.387 2.266 20 10 CECDRO CCOc1ccc(O)c(CN[C@@H]2CC[NH2+][C@H]2CC)c1 ZINC000863483106 646739755 /nfs/dbraw/zinc/73/97/55/646739755.db2.gz KOVUAGDIOOJDKB-UONOGXRCSA-N 1 0 264.369 2.021 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@]2(CCOC)CCOC2)c1 ZINC000775033206 646917754 /nfs/dbraw/zinc/91/77/54/646917754.db2.gz NJJLAARGMDDVRG-MRXNPFEDSA-N 1 0 295.379 2.076 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2ccco2)c1 ZINC000775369707 646946308 /nfs/dbraw/zinc/94/63/08/646946308.db2.gz FTCZWILPZSCTBU-YGRLFVJLSA-N 1 0 277.320 2.378 20 10 CECDRO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000775402505 646950292 /nfs/dbraw/zinc/95/02/92/646950292.db2.gz DUDLSUAQDJCDGF-BBRMVZONSA-N 1 0 289.423 2.414 20 10 CECDRO Cc1cccc(C[N@H+](C)CC(=O)NCc2ccco2)c1O ZINC000775647289 646975962 /nfs/dbraw/zinc/97/59/62/646975962.db2.gz UIAISFYVIQTUCK-UHFFFAOYSA-N 1 0 288.347 2.042 20 10 CECDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(OC)ccc2O)C[C@H]1C ZINC000775711878 646983687 /nfs/dbraw/zinc/98/36/87/646983687.db2.gz JOPFFTROXUFGCX-OLZOCXBDSA-N 1 0 278.396 2.315 20 10 CECDRO CN(C)c1ccc(CNC(=[NH2+])NCCC2CC2)cc1 ZINC000864451043 647006767 /nfs/dbraw/zinc/00/67/67/647006767.db2.gz VGVUKQZHTOYUOW-UHFFFAOYSA-N 1 0 260.385 2.167 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)[C@H]1OC ZINC000775977398 647012664 /nfs/dbraw/zinc/01/26/64/647012664.db2.gz CFSHQXZTERUFKK-MRVWCRGKSA-N 1 0 285.771 2.328 20 10 CECDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000775983995 647013314 /nfs/dbraw/zinc/01/33/14/647013314.db2.gz DUPKMDNQPNSEJR-QWHCGFSZSA-N 1 0 279.403 2.416 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)c1O ZINC000775981342 647013841 /nfs/dbraw/zinc/01/38/41/647013841.db2.gz PNLOAFFFRLBDNL-QWHCGFSZSA-N 1 0 278.396 2.315 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776253288 647042818 /nfs/dbraw/zinc/04/28/18/647042818.db2.gz VBOIREYJAUJRPM-OLZOCXBDSA-N 1 0 296.798 2.358 20 10 CECDRO Cc1cc(C[NH2+]CCC(N)=O)c(C)n1-c1cccc(C)c1 ZINC000776932385 647098077 /nfs/dbraw/zinc/09/80/77/647098077.db2.gz PCDWOOLHEKKSGZ-UHFFFAOYSA-N 1 0 285.391 2.368 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1O ZINC000777725555 647169884 /nfs/dbraw/zinc/16/98/84/647169884.db2.gz URGYJYUCXKWVKR-AVGNSLFASA-N 1 0 297.420 2.399 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c(O)c1 ZINC000778193264 647207558 /nfs/dbraw/zinc/20/75/58/647207558.db2.gz VIBCJJKGGSQXTB-KGLIPLIRSA-N 1 0 265.353 2.040 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000778995834 647280317 /nfs/dbraw/zinc/28/03/17/647280317.db2.gz KASDYOAUYCZTLE-INIZCTEOSA-N 1 0 290.407 2.079 20 10 CECDRO O=C(CC[NH2+]Cc1cc(F)ccc1O)Nc1ccccn1 ZINC000779061414 647284818 /nfs/dbraw/zinc/28/48/18/647284818.db2.gz OQAPNLWWKUOGRK-UHFFFAOYSA-N 1 0 289.310 2.045 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(F)ccc1O ZINC000779067755 647284866 /nfs/dbraw/zinc/28/48/66/647284866.db2.gz ZOEQBHSIFMLRNV-PWSUYJOCSA-N 1 0 275.327 2.393 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000779092561 647286992 /nfs/dbraw/zinc/28/69/92/647286992.db2.gz IQSJEPBYTIWITQ-CQSZACIVSA-N 1 0 295.354 2.349 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1O ZINC000779199675 647297233 /nfs/dbraw/zinc/29/72/33/647297233.db2.gz GNAVBVNNGDFXOH-IAQYHMDHSA-N 1 0 266.360 2.094 20 10 CECDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000865671371 647417438 /nfs/dbraw/zinc/41/74/38/647417438.db2.gz AAZHECUKPKTYHK-QGZVFWFLSA-N 1 0 292.423 2.164 20 10 CECDRO CCCN(CCC)c1ccc(C[NH2+]C[C@H](O)[C@@H](C)O)cc1 ZINC000865742338 647447238 /nfs/dbraw/zinc/44/72/38/647447238.db2.gz YMCGXKGCSLLDDS-PBHICJAKSA-N 1 0 294.439 2.144 20 10 CECDRO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000866463181 647795803 /nfs/dbraw/zinc/79/58/03/647795803.db2.gz KQJQQKOABFKFSC-HFJPGXAFSA-N 1 0 281.249 2.494 20 10 CECDRO CC[C@@H]([NH2+]C[C@H](O)COCC(C)C)c1ccccc1O ZINC000121081619 647806527 /nfs/dbraw/zinc/80/65/27/647806527.db2.gz MWXAUFZKUTZGTH-DZGCQCFKSA-N 1 0 281.396 2.466 20 10 CECDRO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2O)on1 ZINC000866513959 647812072 /nfs/dbraw/zinc/81/20/72/647812072.db2.gz FOGDRCYJDKRIPF-JTQLQIEISA-N 1 0 290.319 2.408 20 10 CECDRO C[C@@H]1OCC[C@H]1CN1CCCc2cc(C[NH3+])ccc21 ZINC000866659937 647858502 /nfs/dbraw/zinc/85/85/02/647858502.db2.gz YGJPNOWMWWNNAY-WFASDCNBSA-N 1 0 260.381 2.323 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1 ZINC000785987208 647975312 /nfs/dbraw/zinc/97/53/12/647975312.db2.gz GJJRDIGHVQWXPO-SLEUVZQESA-N 1 0 279.380 2.382 20 10 CECDRO CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000868352006 648104978 /nfs/dbraw/zinc/10/49/78/648104978.db2.gz NEZKXIAEYCNIDH-GFCCVEGCSA-N 1 0 291.395 2.237 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C)c2O)[C@@H]1C ZINC000787420884 648107446 /nfs/dbraw/zinc/10/74/46/648107446.db2.gz LZZBEXWNEDRLAL-DGCLKSJQSA-N 1 0 263.337 2.084 20 10 CECDRO CCn1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1=O ZINC000788523473 648198787 /nfs/dbraw/zinc/19/87/87/648198787.db2.gz DDVXJWTVLXMFIB-UHFFFAOYSA-N 1 0 284.359 2.093 20 10 CECDRO C[C@H]1CCSCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000790477319 648421425 /nfs/dbraw/zinc/42/14/25/648421425.db2.gz JILOWLYIWHWMBC-IINYFYTJSA-N 1 0 295.404 2.145 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCSC1 ZINC000790484641 648422019 /nfs/dbraw/zinc/42/20/19/648422019.db2.gz GKTJBSGWSYWCKB-JTQLQIEISA-N 1 0 253.367 2.244 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000792204155 648625659 /nfs/dbraw/zinc/62/56/59/648625659.db2.gz XIJAOPAAZBSLKK-SKDRFNHKSA-N 1 0 283.755 2.477 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2ncccc2O)cc1F ZINC000793254532 648732002 /nfs/dbraw/zinc/73/20/02/648732002.db2.gz BWEHUKATXQXBJB-UHFFFAOYSA-N 1 0 275.327 2.282 20 10 CECDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC1CCC1 ZINC000794688550 648903430 /nfs/dbraw/zinc/90/34/30/648903430.db2.gz OTRNOAMEGFOZTJ-HNNXBMFYSA-N 1 0 277.364 2.440 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)c1ccccc1O ZINC000870988494 648971292 /nfs/dbraw/zinc/97/12/92/648971292.db2.gz QRXBUGPRYXNQGP-SWHYSGLUSA-N 1 0 274.364 2.100 20 10 CECDRO CCC(=O)N1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000124299480 649505457 /nfs/dbraw/zinc/50/54/57/649505457.db2.gz YTJJHXQQPGMAFE-UHFFFAOYSA-N 1 0 296.798 2.490 20 10 CECDRO CCOCC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873013989 649531006 /nfs/dbraw/zinc/53/10/06/649531006.db2.gz KLAOAIGYQOHHFH-UHFFFAOYSA-N 1 0 289.379 2.066 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H](C)CS(C)(=O)=O)cc1C ZINC000873049687 649544073 /nfs/dbraw/zinc/54/40/73/649544073.db2.gz KEPLIRKXDCYGBV-ZDUSSCGKSA-N 1 0 299.436 2.307 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)cc1C ZINC000873116449 649561257 /nfs/dbraw/zinc/56/12/57/649561257.db2.gz FTXJFEQLRZMUBR-YOEHRIQHSA-N 1 0 293.407 2.413 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)CF)cc1Cn1cccn1 ZINC000873128040 649564679 /nfs/dbraw/zinc/56/46/79/649564679.db2.gz AOGJWCFUYXGPMR-LBPRGKRZSA-N 1 0 277.343 2.388 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1O ZINC000873157170 649574360 /nfs/dbraw/zinc/57/43/60/649574360.db2.gz SQCNVBCXDZJCIL-FPMFFAJLSA-N 1 0 277.364 2.448 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)CC12CC(C1)C[NH2+]2 ZINC000873200639 649586289 /nfs/dbraw/zinc/58/62/89/649586289.db2.gz JPUYUMIRFZFIGM-UHFFFAOYSA-N 1 0 273.424 2.327 20 10 CECDRO Cc1cc(O)c(CN[C@]23CCC[C@@H]2[NH2+]CC3)cc1C ZINC000873230173 649601189 /nfs/dbraw/zinc/60/11/89/649601189.db2.gz NBUCTZRAQYHXKO-HOTGVXAUSA-N 1 0 260.381 2.383 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[NH+](C)C)cc1 ZINC000874085331 649746062 /nfs/dbraw/zinc/74/60/62/649746062.db2.gz XJBZKXGAIMXTQR-CYBMUJFWSA-N 1 0 277.412 2.099 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[NH+](C)C ZINC000874108595 649748780 /nfs/dbraw/zinc/74/87/80/649748780.db2.gz ZACFKQCOWVVIJU-CQSZACIVSA-N 1 0 291.439 2.440 20 10 CECDRO C[C@H]([NH2+]CC(=O)NCC(C)(C)C)c1ccccc1O ZINC000879650136 651335649 /nfs/dbraw/zinc/33/56/49/651335649.db2.gz KNPRPHJNICEIRE-NSHDSACASA-N 1 0 264.369 2.205 20 10 CECDRO Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879651710 651335936 /nfs/dbraw/zinc/33/59/36/651335936.db2.gz IDGGDLPOZCQKJB-VIFPVBQESA-N 1 0 288.351 2.021 20 10 CECDRO Cc1ccnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000882880238 652246871 /nfs/dbraw/zinc/24/68/71/652246871.db2.gz IUZQYHFAUFFOBD-UHFFFAOYSA-N 1 0 297.406 2.149 20 10 CECDRO OC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccoc1 ZINC000883276178 652421456 /nfs/dbraw/zinc/42/14/56/652421456.db2.gz HDFGNWVTHYNBPT-ZFWWWQNUSA-N 1 0 287.359 2.413 20 10 CECDRO COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)C(F)F)c1 ZINC000883399715 652455997 /nfs/dbraw/zinc/45/59/97/652455997.db2.gz UCQYXFXGZYOEAO-HTQZYQBOSA-N 1 0 273.279 2.483 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(CC3CC3)C2)cc1C ZINC000883403730 652457831 /nfs/dbraw/zinc/45/78/31/652457831.db2.gz BRQXISZAVMNVQO-HNNXBMFYSA-N 1 0 288.391 2.104 20 10 CECDRO O=C(C[NH2+]Cc1ccccc1O)Nc1cccc(F)c1 ZINC000134231836 652796078 /nfs/dbraw/zinc/79/60/78/652796078.db2.gz SGDZRHRRCWLRHP-UHFFFAOYSA-N 1 0 274.295 2.260 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000134228751 652796177 /nfs/dbraw/zinc/79/61/77/652796177.db2.gz AUQJCNLNKDFGTE-OAHLLOKOSA-N 1 0 261.296 2.355 20 10 CECDRO COc1ccc(C[NH2+]CCC(=O)NC(C)(C)C)cc1C ZINC000134592633 652858134 /nfs/dbraw/zinc/85/81/34/652858134.db2.gz LBMOJAWAYCTINE-UHFFFAOYSA-N 1 0 278.396 2.398 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]([C@H]3CCCO3)C1)OCO2 ZINC000884483149 652879348 /nfs/dbraw/zinc/87/93/48/652879348.db2.gz ORNFAHDOVGLATM-BXUZGUMPSA-N 1 0 291.347 2.122 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1 ZINC000135727926 652983817 /nfs/dbraw/zinc/98/38/17/652983817.db2.gz YEHAORHBWXRVSS-LLVKDONJSA-N 1 0 294.395 2.356 20 10 CECDRO C[C@@]1([NH3+])CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001204800261 806087469 /nfs/dbraw/zinc/08/74/69/806087469.db2.gz APZIZHCGLJUTGP-GFCCVEGCSA-N 1 0 274.286 2.334 20 10 CECDRO COc1ccc2ccc(O)c(CN3CC[C@](C)([NH3+])C3)c2c1 ZINC001204801158 806108131 /nfs/dbraw/zinc/10/81/31/806108131.db2.gz KKOMFWMPHFZSTN-KRWDZBQOSA-N 1 0 286.375 2.477 20 10 CECDRO COc1ccc(C[N@@H+]2CCOCC23CCC3)c(O)c1 ZINC000093510721 806514298 /nfs/dbraw/zinc/51/42/98/806514298.db2.gz KXXFTIKQZKEFOQ-UHFFFAOYSA-N 1 0 263.337 2.156 20 10 CECDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CCC1 ZINC000922236714 809073548 /nfs/dbraw/zinc/07/35/48/809073548.db2.gz DMRGFDPVJRWDLJ-HNNXBMFYSA-N 1 0 261.365 2.262 20 10 CECDRO COc1ccc(C[NH2+]CC(C)(C)CS(C)(=O)=O)cc1C ZINC000723879820 802960630 /nfs/dbraw/zinc/96/06/30/802960630.db2.gz TWKXNZOBLVMUSX-UHFFFAOYSA-N 1 0 299.436 2.164 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1O ZINC000724604144 803193153 /nfs/dbraw/zinc/19/31/53/803193153.db2.gz NCWQKSDOBKIQFW-NCZKRNLISA-N 1 0 277.364 2.237 20 10 CECDRO CC(=O)N1CCC([N@H+](C)Cc2cc(C)ccc2O)CC1 ZINC001140621323 803245953 /nfs/dbraw/zinc/24/59/53/803245953.db2.gz VXMRGKOAVASWGT-UHFFFAOYSA-N 1 0 276.380 2.143 20 10 CECDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCC3(C2)OCCO3)c1 ZINC001140622937 803247018 /nfs/dbraw/zinc/24/70/18/803247018.db2.gz FOGOSPQQFZWCJY-CQSZACIVSA-N 1 0 277.364 2.428 20 10 CECDRO C[C@]1([NH3+])CCN(Cc2cc(Br)ccc2O)C1 ZINC000405771645 803401278 /nfs/dbraw/zinc/40/12/78/803401278.db2.gz AJOGYHDUZZYJMU-LBPRGKRZSA-N 1 0 285.185 2.078 20 10 CECDRO Cc1c(O)ccc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1O ZINC001140751447 803516469 /nfs/dbraw/zinc/51/64/69/803516469.db2.gz WTIXJKRGLADZEA-YPMHNXCESA-N 1 0 275.348 2.207 20 10 CECDRO CC[C@@H]([NH2+]CC[C@@H](COC)OC)c1ccccc1O ZINC000694313408 803530151 /nfs/dbraw/zinc/53/01/51/803530151.db2.gz UYEHGLVEJVXINH-GXTWGEPZSA-N 1 0 267.369 2.484 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2(C)C)cc1C ZINC001125807955 803539081 /nfs/dbraw/zinc/53/90/81/803539081.db2.gz TYZLUODSNHHTGK-AWEZNQCLSA-N 1 0 290.407 2.256 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)c(O)c1 ZINC000694591107 803571167 /nfs/dbraw/zinc/57/11/67/803571167.db2.gz RLFWRPMCWZGMAS-STQMWFEESA-N 1 0 297.420 2.319 20 10 CECDRO CN1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2O)C1 ZINC000310553552 803650194 /nfs/dbraw/zinc/65/01/94/803650194.db2.gz XGYPCBJRJDHISV-GFCCVEGCSA-N 1 0 254.761 2.182 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NCC[C@@H](C)[NH2+]C ZINC001117966142 814971175 /nfs/dbraw/zinc/97/11/75/814971175.db2.gz CDCIIHVCRWXEPO-CYBMUJFWSA-N 1 0 293.411 2.312 20 10 CECDRO [NH3+]CC1(F)CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001222552637 803900138 /nfs/dbraw/zinc/90/01/38/803900138.db2.gz HIDYOQBLASWBBV-UHFFFAOYSA-N 1 0 290.741 2.448 20 10 CECDRO CCN1CCC[C@H]([NH2+][C@H](C)c2ccccc2O)C1=O ZINC000722344743 804328171 /nfs/dbraw/zinc/32/81/71/804328171.db2.gz CXZBUSSCMZOZGW-YPMHNXCESA-N 1 0 262.353 2.054 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCCN(CC)C1=O)c1ccccc1O ZINC000722362083 804384079 /nfs/dbraw/zinc/38/40/79/804384079.db2.gz XCWNRRRNTFHBIH-KBPBESRZSA-N 1 0 276.380 2.444 20 10 CECDRO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccccc1O ZINC000037142834 815026422 /nfs/dbraw/zinc/02/64/22/815026422.db2.gz ZWCGOLMGDDUGTR-LBPRGKRZSA-N 1 0 288.391 2.444 20 10 CECDRO COC[C@H]1CC[N@H+](Cc2cc(Cl)c(O)cc2O)C1 ZINC001232259421 807237135 /nfs/dbraw/zinc/23/71/35/807237135.db2.gz JEYIHOHSJAKDNJ-VIFPVBQESA-N 1 0 271.744 2.220 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CC2CCOCC2)c(O)c1 ZINC001232833682 807320732 /nfs/dbraw/zinc/32/07/32/807320732.db2.gz CNVBXJJGHHHYBE-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H](O)C(F)F)c1 ZINC000716697638 815143061 /nfs/dbraw/zinc/14/30/61/815143061.db2.gz GSODKLXGZVHGPX-UFBFGSQYSA-N 1 0 275.295 2.068 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC[C@@H]1CNC(=O)C1 ZINC001119640108 815143522 /nfs/dbraw/zinc/14/35/22/815143522.db2.gz NFHCIRPMDAAMKC-FRRDWIJNSA-N 1 0 288.391 2.365 20 10 CECDRO CC[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccccc1O ZINC000716775030 815146706 /nfs/dbraw/zinc/14/67/06/815146706.db2.gz PSNRITTVXIRHTF-PWSUYJOCSA-N 1 0 259.296 2.449 20 10 CECDRO COc1cncc(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000699789695 807846365 /nfs/dbraw/zinc/84/63/65/807846365.db2.gz VJBQOCUTBOIWNL-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO Cc1cc(F)cc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c1O ZINC001238070939 808294215 /nfs/dbraw/zinc/29/42/15/808294215.db2.gz QCFSMHOBVGMKJU-LERXQTSPSA-N 1 0 265.328 2.306 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@@H]2SC)c1 ZINC000701991715 809483185 /nfs/dbraw/zinc/48/31/85/809483185.db2.gz FBPCCXLDXIKABV-AAEUAGOBSA-N 1 0 253.367 2.384 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(CO)OC)cc1 ZINC000702527545 809564895 /nfs/dbraw/zinc/56/48/95/809564895.db2.gz JVQDJEYMHMZLMJ-INIZCTEOSA-N 1 0 280.412 2.020 20 10 CECDRO C[C@H]1COCCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000703518018 809653647 /nfs/dbraw/zinc/65/36/47/809653647.db2.gz OIERIRVEXLUALV-VIFPVBQESA-N 1 0 257.280 2.281 20 10 CECDRO COC1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000703786481 809690994 /nfs/dbraw/zinc/69/09/94/809690994.db2.gz FIFAOUDWTUREBB-UHFFFAOYSA-N 1 0 279.336 2.168 20 10 CECDRO C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])C[C@H](C)[N@H+]1C ZINC000708383357 809928067 /nfs/dbraw/zinc/92/80/67/809928067.db2.gz LNEYSMPLTLXQPB-AOOOYVTPSA-N 1 0 270.323 2.195 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCN(C(C)C)C2=O)c1O ZINC000708695495 809932988 /nfs/dbraw/zinc/93/29/88/809932988.db2.gz PAZQTHUCJJKUAD-AWEZNQCLSA-N 1 0 276.380 2.054 20 10 CECDRO CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708516473 809944248 /nfs/dbraw/zinc/94/42/48/809944248.db2.gz IRYOSBRJIBZBLR-NSHDSACASA-N 1 0 284.350 2.492 20 10 CECDRO CON1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000709288817 809959321 /nfs/dbraw/zinc/95/93/21/809959321.db2.gz YXMNNTYIMUOIRZ-NSHDSACASA-N 1 0 250.342 2.069 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000606445383 810246855 /nfs/dbraw/zinc/24/68/55/810246855.db2.gz COIWCSHGOACOKG-STQMWFEESA-N 1 0 297.420 2.146 20 10 CECDRO CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172314924 815367632 /nfs/dbraw/zinc/36/76/32/815367632.db2.gz IACTWOUZRHVTEB-WQGACYEGSA-N 1 0 297.395 2.315 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCCO2)c(O)c1 ZINC000379242023 810689734 /nfs/dbraw/zinc/68/97/34/810689734.db2.gz XNNLMMFHLWSAPJ-XHDPSFHLSA-N 1 0 265.353 2.448 20 10 CECDRO C[C@H]([NH2+]CCCn1cncn1)c1ccc(N(C)C)cc1 ZINC000381798136 810970647 /nfs/dbraw/zinc/97/06/47/810970647.db2.gz PEJSORKMPLNQDU-ZDUSSCGKSA-N 1 0 273.384 2.085 20 10 CECDRO C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CCC[C@H]1C[NH3+] ZINC001205995793 811292750 /nfs/dbraw/zinc/29/27/50/811292750.db2.gz QLQJHTKIOMVPAW-RYUDHWBXSA-N 1 0 266.360 2.338 20 10 CECDRO CN(c1ccc2c(c1)OC(C)(C)O2)C(C)(C)C[NH3+] ZINC001170059870 812017265 /nfs/dbraw/zinc/01/72/65/812017265.db2.gz WKANSZHJIDNBHF-UHFFFAOYSA-N 1 0 250.342 2.367 20 10 CECDRO Cc1cc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)c1 ZINC001206182827 815558678 /nfs/dbraw/zinc/55/86/78/815558678.db2.gz DNVUOKSTUCHPOU-KBPBESRZSA-N 1 0 266.360 2.270 20 10 CECDRO CC1(C)[C@@H]2C[C@@H]([NH2+]C[C@@H](O)c3ccc(O)c(O)c3)C[C@@H]21 ZINC001170712664 813179506 /nfs/dbraw/zinc/17/95/06/813179506.db2.gz LUQGCHLDQDZDHC-MCYUEQNJSA-N 1 0 277.364 2.155 20 10 CECDRO CO[C@@H]([C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000388208346 813232296 /nfs/dbraw/zinc/23/22/96/813232296.db2.gz FCWAJWYMPQJABG-VFZGTOFNSA-N 1 0 279.336 2.024 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](OC)C2CC2)c1 ZINC000388240764 813234278 /nfs/dbraw/zinc/23/42/78/813234278.db2.gz QNDODUNXIXYKOJ-ZUZCIYMTSA-N 1 0 265.353 2.304 20 10 CECDRO C[C@@H]([NH2+]CCc1cnccn1)c1cc(F)ccc1O ZINC000390038512 813259621 /nfs/dbraw/zinc/25/96/21/813259621.db2.gz IVCXKABDVIGBIM-SNVBAGLBSA-N 1 0 261.300 2.215 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCCn2cncn2)cc1 ZINC000394367676 813387175 /nfs/dbraw/zinc/38/71/75/813387175.db2.gz UKDJCUJTMQQTEJ-UHFFFAOYSA-N 1 0 287.411 2.304 20 10 CECDRO OCC1(CC[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000395895708 813547726 /nfs/dbraw/zinc/54/77/26/813547726.db2.gz JOEVSKWLZKFESQ-UHFFFAOYSA-N 1 0 255.745 2.298 20 10 CECDRO CCOC(=O)CN(CC[NH3+])c1ccc(OC(C)C)c(C)c1 ZINC001170995757 813730058 /nfs/dbraw/zinc/73/00/58/813730058.db2.gz BPWJSMRCDQKKDT-UHFFFAOYSA-N 1 0 294.395 2.110 20 10 CECDRO OC(C[NH2+]Cc1ccc2c(c1)CCO2)(C1CC1)C1CC1 ZINC000689694710 814006588 /nfs/dbraw/zinc/00/65/88/814006588.db2.gz ZREOTWDUNZGSHZ-UHFFFAOYSA-N 1 0 273.376 2.262 20 10 CECDRO C[C@@H]1c2cccn2CC[N@H+]1Cc1c(O)cc(O)cc1O ZINC001144514504 814097595 /nfs/dbraw/zinc/09/75/95/814097595.db2.gz IGSDJXUABITONW-SNVBAGLBSA-N 1 0 274.320 2.182 20 10 CECDRO COc1cccc2c1C[N@H+](Cc1c(O)cc(O)cc1O)C2 ZINC001144515011 814098408 /nfs/dbraw/zinc/09/84/08/814098408.db2.gz BCUADMIMWROVQU-UHFFFAOYSA-N 1 0 287.315 2.328 20 10 CECDRO Cc1cc(C[N@H+](C[C@@H](O)CO)C(C)(C)C)ccc1N(C)C ZINC001139669632 815619223 /nfs/dbraw/zinc/61/92/23/815619223.db2.gz FDQHCEOCGDDELF-OAHLLOKOSA-N 1 0 294.439 2.015 20 10 CECDRO Cn1ncc(C[NH2+]Cc2ccccc2O)c1Cl ZINC000712429197 814745488 /nfs/dbraw/zinc/74/54/88/814745488.db2.gz GHAGCTVKWVUFCM-UHFFFAOYSA-N 1 0 251.717 2.069 20 10 CECDRO Cn1cc(C[NH2+]Cc2ccccc2O)c(Br)n1 ZINC000712459584 814749028 /nfs/dbraw/zinc/74/90/28/814749028.db2.gz PDJPOFGIWYECAT-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC001116752188 814879745 /nfs/dbraw/zinc/87/97/45/814879745.db2.gz CDUQXYYDMBPTKD-UONOGXRCSA-N 1 0 277.364 2.435 20 10 CECDRO CC[N@@H+]1CCCN(Cc2c(O)cccc2F)CC1 ZINC001137831892 815690726 /nfs/dbraw/zinc/69/07/26/815690726.db2.gz REJSLCQXXZGXEQ-UHFFFAOYSA-N 1 0 252.333 2.059 20 10 CECDRO CC[N@@H+]1CCN(Cc2c(O)cccc2F)C[C@H]1C ZINC001137841734 815694770 /nfs/dbraw/zinc/69/47/70/815694770.db2.gz SBBJNGXALQVUML-LLVKDONJSA-N 1 0 252.333 2.057 20 10 CECDRO Cc1c(C[NH+]2CC(N3CCOCC3)C2)c2ccccc2n1C ZINC001138257106 815755992 /nfs/dbraw/zinc/75/59/92/815755992.db2.gz WILCABMNMCQWJB-UHFFFAOYSA-N 1 0 299.418 2.003 20 10 CECDRO Cc1c(C[N@@H+]2CCCC[C@@H]2C(N)=O)c2ccccc2n1C ZINC001138256800 815756990 /nfs/dbraw/zinc/75/69/90/815756990.db2.gz LDQMZRXFZJCUCN-MRXNPFEDSA-N 1 0 285.391 2.327 20 10 CECDRO CC[N@H+](Cc1cnc(N(C)C)nc1)Cc1ccccc1O ZINC001138351717 815772882 /nfs/dbraw/zinc/77/28/82/815772882.db2.gz YTWHRLFCYWWUKD-UHFFFAOYSA-N 1 0 286.379 2.270 20 10 CECDRO CN1CCCc2cc(C[N@H+]3CCc4nccn4CC3)ccc21 ZINC001138356534 815775357 /nfs/dbraw/zinc/77/53/57/815775357.db2.gz QOSYGIMSZDEKBX-UHFFFAOYSA-N 1 0 296.418 2.324 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC[C@H](n2ncnn2)C1)c1ccccc1O ZINC001173734483 815805416 /nfs/dbraw/zinc/80/54/16/815805416.db2.gz FWZNBLHHGMSPSS-AVGNSLFASA-N 1 0 287.367 2.213 20 10 CECDRO COC(=O)c1cccc(Nc2cc[nH+]c(C)c2)c1O ZINC001174656496 816067556 /nfs/dbraw/zinc/06/75/56/816067556.db2.gz BQXNKUQFQQPNPP-UHFFFAOYSA-N 1 0 258.277 2.048 20 10 CECDRO COC(=O)c1cccc(O)c1Nc1cc[nH+]c(C)c1 ZINC001174657340 816068647 /nfs/dbraw/zinc/06/86/47/816068647.db2.gz RIIBCXUTVLNDRD-UHFFFAOYSA-N 1 0 258.277 2.048 20 10 CECDRO COc1ccc(N2CCN(Cc3cccnn3)CC2)c(C)c1 ZINC001139975543 816154107 /nfs/dbraw/zinc/15/41/07/816154107.db2.gz GLDKNKPYQNVHDB-UHFFFAOYSA-N 1 0 298.390 2.116 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001140058224 816180774 /nfs/dbraw/zinc/18/07/74/816180774.db2.gz VOZXXRDZMKXROE-CQSZACIVSA-N 1 0 251.301 2.286 20 10 CECDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1c(O)cccc1Cl ZINC001140337967 816237515 /nfs/dbraw/zinc/23/75/15/816237515.db2.gz PBYDKKOIPMSMRJ-NXEZZACHSA-N 1 0 255.745 2.391 20 10 CECDRO C[C@]1(CO)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140337971 816238353 /nfs/dbraw/zinc/23/83/53/816238353.db2.gz PDOSLUYJXXHQFL-ZDUSSCGKSA-N 1 0 255.745 2.250 20 10 CECDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001140341389 816238587 /nfs/dbraw/zinc/23/85/87/816238587.db2.gz LQUOBODVYAIVLD-TVQRCGJNSA-N 1 0 253.729 2.266 20 10 CECDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@H]21 ZINC001140465555 816260689 /nfs/dbraw/zinc/26/06/89/816260689.db2.gz NOGZBDNKGAWTOU-GXFFZTMASA-N 1 0 266.772 2.182 20 10 CECDRO CC[N@H+](CCn1cccn1)Cc1cc(C)ccc1O ZINC001140623054 816306544 /nfs/dbraw/zinc/30/65/44/816306544.db2.gz KYOAUVRVNFASKO-UHFFFAOYSA-N 1 0 259.353 2.419 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)c1 ZINC001140623603 816307036 /nfs/dbraw/zinc/30/70/36/816307036.db2.gz XWIDPXBPGJTZMC-BETUJISGSA-N 1 0 283.318 2.414 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CCC3(CCOC3)CC2)c1O ZINC001140742243 816337907 /nfs/dbraw/zinc/33/79/07/816337907.db2.gz LAZAIQIIYPXFFF-UHFFFAOYSA-N 1 0 277.364 2.409 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC001140742547 816339170 /nfs/dbraw/zinc/33/91/70/816339170.db2.gz RLJJQGHOIBWJQT-AOOOYVTPSA-N 1 0 251.326 2.015 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCc3cc(CO)ccc3C2)c1O ZINC001140743929 816340071 /nfs/dbraw/zinc/34/00/71/816340071.db2.gz FCXVEXPIMXPAPP-UHFFFAOYSA-N 1 0 299.370 2.457 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](C)C2)c(O)c1 ZINC001140850746 816383743 /nfs/dbraw/zinc/38/37/43/816383743.db2.gz SHCMOYWCVBKQPK-CYBMUJFWSA-N 1 0 278.396 2.459 20 10 CECDRO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2O)CCS1 ZINC001140954751 816424223 /nfs/dbraw/zinc/42/42/23/816424223.db2.gz XTCCMXSOJHJUNP-CQSZACIVSA-N 1 0 295.404 2.181 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3nccc(C)n3)C2)c(O)c1 ZINC001140954768 816424383 /nfs/dbraw/zinc/42/43/83/816424383.db2.gz YNDXUMARTFZGFP-OAHLLOKOSA-N 1 0 299.374 2.452 20 10 CECDRO CC[N@@H+]1CCCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141139936 816483320 /nfs/dbraw/zinc/48/33/20/816483320.db2.gz FKFDJSGFHLWPDQ-UHFFFAOYSA-N 1 0 289.423 2.043 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001141159226 816490187 /nfs/dbraw/zinc/49/01/87/816490187.db2.gz COUNXDCXQMSVRV-CQSZACIVSA-N 1 0 271.320 2.225 20 10 CECDRO Cc1ccc(N2CC[NH+](Cc3cc(O)ccc3O)CC2)nc1 ZINC001141159546 816490207 /nfs/dbraw/zinc/49/02/07/816490207.db2.gz IMEUITPWOUXHCU-UHFFFAOYSA-N 1 0 299.374 2.123 20 10 CECDRO Oc1ccc(O)c(C[NH+]2CCC3(CCOC3)CC2)c1 ZINC001141156476 816490319 /nfs/dbraw/zinc/49/03/19/816490319.db2.gz LVSOYQVAGYZGEA-UHFFFAOYSA-N 1 0 263.337 2.100 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC001141156700 816490728 /nfs/dbraw/zinc/49/07/28/816490728.db2.gz QXPGTRMERUCIQO-UHFFFAOYSA-N 1 0 299.374 2.205 20 10 CECDRO Oc1ccc(O)c(CN2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001141160530 816491980 /nfs/dbraw/zinc/49/19/80/816491980.db2.gz YIPYKEMBSZUISF-UHFFFAOYSA-N 1 0 288.391 2.016 20 10 CECDRO Cc1ccc(C(=O)Nc2ccc3c[nH+]cn3c2)c(O)c1O ZINC001179309173 816848746 /nfs/dbraw/zinc/84/87/46/816848746.db2.gz CFJCGNUKKXTWBI-UHFFFAOYSA-N 1 0 283.287 2.306 20 10 CECDRO CN(C)C(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000052686775 343564878 /nfs/dbraw/zinc/56/48/78/343564878.db2.gz RFDCCVMFJAIZSP-UHFFFAOYSA-N 1 0 289.423 2.197 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000279546514 539350571 /nfs/dbraw/zinc/35/05/71/539350571.db2.gz DDOZRRLGTUOAJP-GFCCVEGCSA-N 1 0 288.313 2.338 20 10 CECDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000092971139 344208893 /nfs/dbraw/zinc/20/88/93/344208893.db2.gz QXEVBMPBHNAJEH-BBRMVZONSA-N 1 0 262.397 2.488 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1C ZINC000377769301 539749245 /nfs/dbraw/zinc/74/92/45/539749245.db2.gz AFVQYFPQSHGHCE-ZDUSSCGKSA-N 1 0 271.364 2.374 20 10 CECDRO COc1ccc(O)c(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000133880807 366264782 /nfs/dbraw/zinc/26/47/82/366264782.db2.gz KYXSRSNJJVYBMP-UHFFFAOYSA-N 1 0 290.407 2.461 20 10 CECDRO Oc1ccccc1CN1CCN(CC(F)(F)F)CC1 ZINC000134084684 366285301 /nfs/dbraw/zinc/28/53/01/366285301.db2.gz PCXJCGAKPNDVNA-UHFFFAOYSA-N 1 0 274.286 2.072 20 10 CECDRO CCOc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1O ZINC000093479748 364189250 /nfs/dbraw/zinc/18/92/50/364189250.db2.gz XKKDWUYJQPGDKX-OCZCAGDBSA-N 1 0 291.391 2.384 20 10 CECDRO CCC(O)(CC)C[NH2+]Cc1cccc(OC)c1O ZINC000112017925 364769688 /nfs/dbraw/zinc/76/96/88/364769688.db2.gz VBZUQOWJSLVLTI-UHFFFAOYSA-N 1 0 253.342 2.042 20 10 CECDRO CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000171937414 367643563 /nfs/dbraw/zinc/64/35/63/367643563.db2.gz YDLASLMHDCAUCL-RYUDHWBXSA-N 1 0 264.369 2.127 20 10 CECDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000180418834 368380179 /nfs/dbraw/zinc/38/01/79/368380179.db2.gz GGNUQQWRSBZQKV-CYBMUJFWSA-N 1 0 263.337 2.228 20 10 CECDRO Cc1cccc(C[N@H+]2CCC[C@H]2c2nncn2C)c1O ZINC000180561756 368385942 /nfs/dbraw/zinc/38/59/42/368385942.db2.gz RSGWMZLEDJLPNI-ZDUSSCGKSA-N 1 0 272.352 2.166 20 10 CECDRO CC[C@](C)(CCO)[NH2+]Cc1cc(OC)ccc1O ZINC000182626674 368573630 /nfs/dbraw/zinc/57/36/30/368573630.db2.gz JIBQKDDLWAFUHV-CQSZACIVSA-N 1 0 253.342 2.042 20 10 CECDRO CCC[NH+]1CCC(N(C)C(=O)c2cccc(O)c2O)CC1 ZINC000188253842 369326148 /nfs/dbraw/zinc/32/61/48/369326148.db2.gz UBDYEDJIUZGNPW-UHFFFAOYSA-N 1 0 292.379 2.044 20 10 CECDRO CCOC1CC(CC[NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000188773487 369406976 /nfs/dbraw/zinc/40/69/76/369406976.db2.gz JBZOXRISGMWYDY-UHFFFAOYSA-N 1 0 293.363 2.416 20 10 CECDRO CCC[C@]1(C)C(=O)NCCN1Cc1cc(F)ccc1O ZINC000189038187 369447046 /nfs/dbraw/zinc/44/70/46/369447046.db2.gz AYEZAVFSGNKBKM-OAHLLOKOSA-N 1 0 280.343 2.022 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000246477602 370967065 /nfs/dbraw/zinc/96/70/65/370967065.db2.gz OSMDVLATOFAECT-HIFRSBDPSA-N 1 0 279.405 2.407 20 10 CECDRO CC[N@@H+](Cc1cc(OC)ccc1O)C[C@@H](O)C(F)(F)F ZINC000189868567 369573638 /nfs/dbraw/zinc/57/36/38/369573638.db2.gz YJHOEXCSMFJXFB-GFCCVEGCSA-N 1 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CC[C@H]([NH2+][C@H](C)C(=O)N(C)CC)c1ccccc1O ZINC000188487561 395316142 /nfs/dbraw/zinc/31/61/42/395316142.db2.gz JPRWAYBNVUQSBQ-YPMHNXCESA-N 1 0 264.369 2.300 20 10 CECDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1O)N1CCOCC1 ZINC000183395190 395255745 /nfs/dbraw/zinc/25/57/45/395255745.db2.gz NVQMOTGOVJXQCD-GDBMZVCRSA-N 1 0 292.423 2.400 20 10 CECDRO CCOCC[N@H+](CC)Cc1cccc(OC)c1O ZINC000156022666 261111375 /nfs/dbraw/zinc/11/13/75/261111375.db2.gz JKYQKMAHPINQHI-UHFFFAOYSA-N 1 0 253.342 2.259 20 10 CECDRO CCCNC(=O)C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000158300035 261163511 /nfs/dbraw/zinc/16/35/11/261163511.db2.gz MCGZBEPQZYFFTC-CYBMUJFWSA-N 1 0 277.412 2.320 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C[NH2+]CC2CC2)cc1 ZINC000178712297 261756070 /nfs/dbraw/zinc/75/60/70/261756070.db2.gz DINXUKJXLAMSEH-UHFFFAOYSA-N 1 0 289.423 2.149 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Cl)ccc1O ZINC000185502490 262056838 /nfs/dbraw/zinc/05/68/38/262056838.db2.gz QUQLMOYFWUWLPP-KOLCDFICSA-N 1 0 282.771 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/nfs/dbraw/zinc/09/82/30/262098230.db2.gz AWTZBLQBXKHZEZ-NMIRZEMHSA-N 1 0 275.801 2.463 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291227287 263120984 /nfs/dbraw/zinc/12/09/84/263120984.db2.gz KAXOFKFKYQVQID-CYBMUJFWSA-N 1 0 284.350 2.202 20 10 CECDRO O=C1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H]2CCCCN12 ZINC000370287041 267306480 /nfs/dbraw/zinc/30/64/80/267306480.db2.gz BFGHMYRAHDXWGS-OLZOCXBDSA-N 1 0 294.782 2.289 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@]2(CCOC2)O1 ZINC000376635526 268004358 /nfs/dbraw/zinc/00/43/58/268004358.db2.gz WYFYEAXGEKGHOA-ZBFHGGJFSA-N 1 0 295.354 2.301 20 10 CECDRO C=Cn1cc(C[NH2+]Cc2ccc3c(c2)CCN3C)cn1 ZINC000377080171 268045465 /nfs/dbraw/zinc/04/54/65/268045465.db2.gz FFMKUUPIPRCINH-UHFFFAOYSA-N 1 0 268.364 2.266 20 10 CECDRO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617708 278185201 /nfs/dbraw/zinc/18/52/01/278185201.db2.gz JWQITPJMKIVZKH-GHMZBOCLSA-N 1 0 280.343 2.193 20 10 CECDRO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273587010 293100419 /nfs/dbraw/zinc/10/04/19/293100419.db2.gz OAXGDCVGZICDDC-STQMWFEESA-N 1 0 267.369 2.057 20 10 CECDRO CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(C)cc1O ZINC000527959923 313221221 /nfs/dbraw/zinc/22/12/21/313221221.db2.gz ZUBKGTSUPATPFG-BPUTZDHNSA-N 1 0 279.380 2.281 20 10 CECDRO CCOC1CC(O)(C[NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000277711265 328222027 /nfs/dbraw/zinc/22/20/27/328222027.db2.gz MQMQASJMEHSXKM-UHFFFAOYSA-N 1 0 279.380 2.029 20 10 CECDRO COc1ccc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1C ZINC000283800110 328245069 /nfs/dbraw/zinc/24/50/69/328245069.db2.gz AKDUUOJIWYCJEK-HOCLYGCPSA-N 1 0 295.423 2.251 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](O)[C@@H]2C)c1O ZINC000296260174 327093541 /nfs/dbraw/zinc/09/35/41/327093541.db2.gz OBMZPLKYTFYXFN-XPTSAGLGSA-N 1 0 281.327 2.079 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000091895950 327186953 /nfs/dbraw/zinc/18/69/53/327186953.db2.gz 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/nfs/dbraw/zinc/02/28/78/330022878.db2.gz IWRKXPVRUNVMRA-JTQLQIEISA-N 1 0 289.354 2.310 20 10 CECDRO CCOc1ccc(C[NH2+]CC23CC(C2)CO3)c(O)c1 ZINC000527790725 330283455 /nfs/dbraw/zinc/28/34/55/330283455.db2.gz UITXDCGZTQZWDW-UHFFFAOYSA-N 1 0 263.337 2.060 20 10 CECDRO COc1ccc(CC[NH2+]Cc2ccccc2O)cn1 ZINC000527793919 330283841 /nfs/dbraw/zinc/28/38/41/330283841.db2.gz SXHWAQWBOINYPK-UHFFFAOYSA-N 1 0 258.321 2.128 20 10 CECDRO Cc1cccc(C[NH2+]CCNC(=O)OC(C)(C)C)c1O ZINC000225927244 333242784 /nfs/dbraw/zinc/24/27/84/333242784.db2.gz FTOGZYZXDXMJFW-UHFFFAOYSA-N 1 0 280.368 2.315 20 10 CECDRO CCOc1cccc(C[NH2+]CCC[C@H](C)CO)c1O ZINC000230159856 333315505 /nfs/dbraw/zinc/31/55/05/333315505.db2.gz XSICSHWPOXDXNU-LBPRGKRZSA-N 1 0 267.369 2.289 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CO)c1cc(Br)ccc1O ZINC000134925641 334108672 /nfs/dbraw/zinc/10/86/72/334108672.db2.gz PBUYEHVRCDLXQT-JGVFFNPUSA-N 1 0 274.158 2.186 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cn[nH]c2)c1O ZINC000275159181 518286917 /nfs/dbraw/zinc/28/69/17/518286917.db2.gz ILUQFEFEQFQFEJ-QMMMGPOBSA-N 1 0 277.299 2.308 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@H](C[NH+](C)C)C2)c1O ZINC000079435158 518287516 /nfs/dbraw/zinc/28/75/16/518287516.db2.gz LUIZXYUNMCOJOV-GFCCVEGCSA-N 1 0 294.370 2.117 20 10 CECDRO C1=CO[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000275841023 518575102 /nfs/dbraw/zinc/57/51/02/518575102.db2.gz PXWBCMNTLJADMG-KRWDZBQOSA-N 1 0 288.391 2.306 20 10 CECDRO CC(C)C[C@H](CO)[N@H+](C)Cc1cc(F)ccc1O ZINC000290551203 519357390 /nfs/dbraw/zinc/35/73/90/519357390.db2.gz RUTWCPZXOFXQMW-CYBMUJFWSA-N 1 0 255.333 2.370 20 10 CECDRO CC(=O)Nc1ccc(C[NH2+]Cc2cccc(C)c2O)cn1 ZINC000279482012 519717380 /nfs/dbraw/zinc/71/73/80/519717380.db2.gz WUWMAUIRJKDEAG-UHFFFAOYSA-N 1 0 285.347 2.344 20 10 CECDRO CC(C)c1nnc(C[NH2+][C@H]2CCc3cccc(O)c32)[nH]1 ZINC000296595192 519887917 /nfs/dbraw/zinc/88/79/17/519887917.db2.gz VFIVVLBHYTXKAF-NSHDSACASA-N 1 0 272.352 2.411 20 10 CECDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccccc1O ZINC000291168908 520414434 /nfs/dbraw/zinc/41/44/34/520414434.db2.gz GKZNIUUEMQOZPZ-ZDUSSCGKSA-N 1 0 293.411 2.312 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C2=O)cc1 ZINC000265649061 520893150 /nfs/dbraw/zinc/89/31/50/520893150.db2.gz NCKOLLBFMQWVRR-MRXNPFEDSA-N 1 0 289.423 2.195 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1 ZINC000275850381 521146106 /nfs/dbraw/zinc/14/61/06/521146106.db2.gz HXGQUTSXLVLFRF-OAHLLOKOSA-N 1 0 279.380 2.384 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2snnc2C)c1O ZINC000291710750 521368785 /nfs/dbraw/zinc/36/87/85/521368785.db2.gz LITMJEADLGDEBR-UHFFFAOYSA-N 1 0 279.365 2.241 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)OC ZINC000076074134 521690917 /nfs/dbraw/zinc/69/09/17/521690917.db2.gz VWOTUGMBMLPKQS-LLVKDONJSA-N 1 0 251.326 2.166 20 10 CECDRO CCNC(=O)C1(C[NH2+]Cc2ccc(N(C)C)cc2)CCC1 ZINC000277517645 521733547 /nfs/dbraw/zinc/73/35/47/521733547.db2.gz XDLNPTBNVADQJA-UHFFFAOYSA-N 1 0 289.423 2.149 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CCCCCO)cc1 ZINC000263763149 522170274 /nfs/dbraw/zinc/17/02/74/522170274.db2.gz LWDVAPMCKQSQPO-UHFFFAOYSA-N 1 0 250.386 2.347 20 10 CECDRO CC[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1O)OC ZINC000290036185 522200311 /nfs/dbraw/zinc/20/03/11/522200311.db2.gz DFJISMDBSDWOHG-GHMZBOCLSA-N 1 0 253.342 2.476 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCc2cn[nH]c2)c1O ZINC000291492579 522541073 /nfs/dbraw/zinc/54/10/73/522541073.db2.gz GUKFNXXBAKLQDD-UHFFFAOYSA-N 1 0 281.743 2.110 20 10 CECDRO CC[C@H]([NH2+]CC[C@@H](O)COC)c1ccc(C)cc1O ZINC000280151583 522596148 /nfs/dbraw/zinc/59/61/48/522596148.db2.gz QGAKUUUVVMTLBK-OCCSQVGLSA-N 1 0 267.369 2.139 20 10 CECDRO COC[C@H](O)C[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000071270403 522805926 /nfs/dbraw/zinc/80/59/26/522805926.db2.gz GHCGHRNHUBLDCS-DGCLKSJQSA-N 1 0 275.348 2.203 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccccc1O ZINC000036976947 522923666 /nfs/dbraw/zinc/92/36/66/522923666.db2.gz RSUDVEGYJVJYAW-CHWSQXEVSA-N 1 0 262.353 2.102 20 10 CECDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cc1ccc(N)cc1 ZINC000237078442 522927357 /nfs/dbraw/zinc/92/73/57/522927357.db2.gz XAYDWVKAGBFPOB-INIZCTEOSA-N 1 0 289.423 2.144 20 10 CECDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000290279680 524080192 /nfs/dbraw/zinc/08/01/92/524080192.db2.gz YXPCJNUOKJQLGW-AWEZNQCLSA-N 1 0 292.379 2.411 20 10 CECDRO COc1ccc(N2CCC([NH2+]C[C@H]3CCCO3)CC2)cc1 ZINC000153098430 524403627 /nfs/dbraw/zinc/40/36/27/524403627.db2.gz WEQXMFIHPCPXJM-QGZVFWFLSA-N 1 0 290.407 2.433 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)cc1 ZINC000059322678 524427676 /nfs/dbraw/zinc/42/76/76/524427676.db2.gz HZGVHSYPZMUOMS-MRXNPFEDSA-N 1 0 292.423 2.224 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@](C)(O)CC2)c1 ZINC000279736168 524741137 /nfs/dbraw/zinc/74/11/37/524741137.db2.gz WRIXKMCQKOKRSV-OAHLLOKOSA-N 1 0 265.353 2.138 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCN(C)C2CCCC2)c1 ZINC000071376792 524750421 /nfs/dbraw/zinc/75/04/21/524750421.db2.gz REDRCXIIKZWBRU-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cccc3c2OCO3)c1 ZINC000040667094 524753169 /nfs/dbraw/zinc/75/31/69/524753169.db2.gz RAZFBQLLQGGBSK-UHFFFAOYSA-N 1 0 287.315 2.419 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000037087196 524754707 /nfs/dbraw/zinc/75/47/07/524754707.db2.gz QUPZJIGISJUSDX-AWEZNQCLSA-N 1 0 287.363 2.302 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC[C@@H](C)O)c1 ZINC000228044675 524763545 /nfs/dbraw/zinc/76/35/45/524763545.db2.gz WMACOPKNVDSJBC-GHMZBOCLSA-N 1 0 253.342 2.212 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1 ZINC000037157733 524772703 /nfs/dbraw/zinc/77/27/03/524772703.db2.gz IKGIKPQDVNQYCH-RYUDHWBXSA-N 1 0 275.352 2.337 20 10 CECDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000290286721 524784475 /nfs/dbraw/zinc/78/44/75/524784475.db2.gz ZQZXDWOZNPADSQ-JSGCOSHPSA-N 1 0 280.387 2.485 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1O ZINC000367709961 524866959 /nfs/dbraw/zinc/86/69/59/524866959.db2.gz ULZAELRTOJUUCJ-SNVBAGLBSA-N 1 0 282.771 2.051 20 10 CECDRO COc1ncccc1CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000289416565 525044718 /nfs/dbraw/zinc/04/47/18/525044718.db2.gz AUOKXUWPAFHYAR-UHFFFAOYSA-N 1 0 285.391 2.489 20 10 CECDRO C[C@](O)(C[NH2+]Cc1ccccc1O)c1cccs1 ZINC000265802924 525178013 /nfs/dbraw/zinc/17/80/13/525178013.db2.gz TWFHBAPJNHKNMO-AWEZNQCLSA-N 1 0 263.362 2.451 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)c1 ZINC000277395164 525342509 /nfs/dbraw/zinc/34/25/09/525342509.db2.gz GPEBYGUWFZVGNC-KZULUSFZSA-N 1 0 267.394 2.044 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000071409399 525355371 /nfs/dbraw/zinc/35/53/71/525355371.db2.gz LGCZSHHMSIGJMM-INIZCTEOSA-N 1 0 271.360 2.394 20 10 CECDRO CSC[C@](C)(O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000266168142 525717852 /nfs/dbraw/zinc/71/78/52/525717852.db2.gz QCUSGXOKOLPNNU-CQSZACIVSA-N 1 0 269.410 2.213 20 10 CECDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(F)ccc2O)o1 ZINC000272366170 525977054 /nfs/dbraw/zinc/97/70/54/525977054.db2.gz FXWOOCTVCDDYRT-CYBMUJFWSA-N 1 0 265.284 2.256 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000037648364 526373683 /nfs/dbraw/zinc/37/36/83/526373683.db2.gz BEEVKVXFMWCBET-NSHDSACASA-N 1 0 288.313 2.366 20 10 CECDRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1O ZINC000063218154 527580258 /nfs/dbraw/zinc/58/02/58/527580258.db2.gz IQSMBJVFCKJXSZ-OAHLLOKOSA-N 1 0 257.333 2.085 20 10 CECDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccccc1O ZINC000748242536 574437926 /nfs/dbraw/zinc/43/79/26/574437926.db2.gz OVFQIUDMZWFTGI-AWEZNQCLSA-N 1 0 251.326 2.214 20 10 CECDRO CCOc1ccc(C[NH2+]C(C)(C)COC)c(O)c1 ZINC000727472142 574452180 /nfs/dbraw/zinc/45/21/80/574452180.db2.gz XIPWFTNFHRTOQF-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO C[N@H+](Cc1c(O)ccc2ccncc21)[C@H]1CCOC1 ZINC000730260252 574512525 /nfs/dbraw/zinc/51/25/25/574512525.db2.gz MUXNPCSMLMRHPG-LBPRGKRZSA-N 1 0 258.321 2.161 20 10 CECDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000731872387 574604396 /nfs/dbraw/zinc/60/43/96/574604396.db2.gz HQBKWNLNTYCVBN-LLVKDONJSA-N 1 0 282.409 2.304 20 10 CECDRO CCOCc1cc(C[NH2+]CC2(O)CCC2)ccc1OC ZINC000732229295 574615258 /nfs/dbraw/zinc/61/52/58/574615258.db2.gz OZJDAMFYZWDKQK-UHFFFAOYSA-N 1 0 279.380 2.236 20 10 CECDRO O=C(C1=CC(=O)CS1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000732287766 574618032 /nfs/dbraw/zinc/61/80/32/574618032.db2.gz FZDWHBARJNUDSF-LLVKDONJSA-N 1 0 280.393 2.154 20 10 CECDRO CO[C@H](C[NH2+]Cc1cc(C)ccc1O)C(F)(F)F ZINC000733328934 574664422 /nfs/dbraw/zinc/66/44/22/574664422.db2.gz HVGWUHBOKUTMPL-LLVKDONJSA-N 1 0 263.259 2.368 20 10 CECDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135304 574776819 /nfs/dbraw/zinc/77/68/19/574776819.db2.gz PFICHPQYZPBLHG-LLVKDONJSA-N 1 0 295.346 2.423 20 10 CECDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1O ZINC000736818046 574797809 /nfs/dbraw/zinc/79/78/09/574797809.db2.gz LWISBEFHTFMADK-UHFFFAOYSA-N 1 0 295.346 2.204 20 10 CECDRO CC[C@H](C(N)=O)[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000738297802 574857304 /nfs/dbraw/zinc/85/73/04/574857304.db2.gz CXVHXUGEEIKLLL-OAHLLOKOSA-N 1 0 277.412 2.229 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1C ZINC000742392553 575019767 /nfs/dbraw/zinc/01/97/67/575019767.db2.gz QPKMECXAPRPNCZ-KCPJHIHWSA-N 1 0 288.391 2.103 20 10 CECDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000749132475 575206688 /nfs/dbraw/zinc/20/66/88/575206688.db2.gz PNLPESIMLGOMIZ-AWEZNQCLSA-N 1 0 289.423 2.276 20 10 CECDRO C[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1ccncc1 ZINC000749294399 575212864 /nfs/dbraw/zinc/21/28/64/575212864.db2.gz GQIBHVBEKUBEQF-LLVKDONJSA-N 1 0 286.331 2.409 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(C)cc1O ZINC000179447780 625443894 /nfs/dbraw/zinc/44/38/94/625443894.db2.gz CPQZMNQAVGRELS-ZDUSSCGKSA-N 1 0 293.363 2.237 20 10 CECDRO Oc1ccccc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000813333027 623156133 /nfs/dbraw/zinc/15/61/33/623156133.db2.gz IFPDTIINZSUGEF-CQSZACIVSA-N 1 0 251.326 2.025 20 10 CECDRO CCCCC[N@H+](CCO)Cc1ccc(OC)c(OC)c1O ZINC000891573909 623797396 /nfs/dbraw/zinc/79/73/96/623797396.db2.gz UVKJZISBJKFEAU-UHFFFAOYSA-N 1 0 297.395 2.394 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cccc(C)n2)c1 ZINC000051574702 624450451 /nfs/dbraw/zinc/45/04/51/624450451.db2.gz MUVPIORWMQOSHH-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000044371814 624458678 /nfs/dbraw/zinc/45/86/78/624458678.db2.gz GLLPKKSPFZPDSD-HNNXBMFYSA-N 1 0 260.381 2.411 20 10 CECDRO CCOC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000044690217 624466365 /nfs/dbraw/zinc/46/63/65/624466365.db2.gz IEFNKMDOBZOJOA-AWEZNQCLSA-N 1 0 278.396 2.038 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C1(CO)CC1 ZINC000829208205 624839539 /nfs/dbraw/zinc/83/95/39/624839539.db2.gz GYGCUPPLXLMMQJ-VHSXEESVSA-N 1 0 253.317 2.343 20 10 CECDRO COc1ccc(N2CCN(CC[NH2+]CC(C)C)CC2)cc1 ZINC000052418131 625758778 /nfs/dbraw/zinc/75/87/78/625758778.db2.gz KQTGCHXWQSYODP-UHFFFAOYSA-N 1 0 291.439 2.063 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)Cc2cnccn2)c1O ZINC000725849483 625919483 /nfs/dbraw/zinc/91/94/83/625919483.db2.gz OKCRPUZSHXLHLB-GFCCVEGCSA-N 1 0 287.363 2.302 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2C[C@H]2C)c(O)c1OC ZINC000892569723 627279065 /nfs/dbraw/zinc/27/90/65/627279065.db2.gz BBUJYDQRQPRKIO-MWLCHTKSSA-N 1 0 251.326 2.155 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)nc1 ZINC000892793419 627776845 /nfs/dbraw/zinc/77/68/45/627776845.db2.gz MHTJKFOQXZABIB-UHFFFAOYSA-N 1 0 270.332 2.315 20 10 CECDRO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892854587 627813610 /nfs/dbraw/zinc/81/36/10/627813610.db2.gz VAUWKJVPVLBDLR-GFCCVEGCSA-N 1 0 296.411 2.229 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000185777023 628238689 /nfs/dbraw/zinc/23/86/89/628238689.db2.gz IATOOUWEXZQOHM-CJNGLKHVSA-N 1 0 279.380 2.140 20 10 CECDRO CC(=O)N1CC[N@H+](Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000840918600 628502862 /nfs/dbraw/zinc/50/28/62/628502862.db2.gz WPBKPSXKEPMMQE-CQSZACIVSA-N 1 0 289.423 2.114 20 10 CECDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000313053377 628577127 /nfs/dbraw/zinc/57/71/27/628577127.db2.gz GRIKAMPCCIWYKO-MRXNPFEDSA-N 1 0 290.407 2.038 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c(O)c1OC ZINC000893417121 628592918 /nfs/dbraw/zinc/59/29/18/628592918.db2.gz BXUKMIXLOXYDRK-VXGBXAGGSA-N 1 0 295.379 2.002 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(=O)NC1CCCC1 ZINC000840932914 628750296 /nfs/dbraw/zinc/75/02/96/628750296.db2.gz WDVCWEVDPMLPPQ-UHFFFAOYSA-N 1 0 289.423 2.209 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C(C)(C)O ZINC000840933100 628750379 /nfs/dbraw/zinc/75/03/79/628750379.db2.gz LVYUGVYUWKXJAX-GFCCVEGCSA-N 1 0 250.386 2.310 20 10 CECDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938743 628757000 /nfs/dbraw/zinc/75/70/00/628757000.db2.gz GHYABJSPYGZSGF-SJORKVTESA-N 1 0 292.423 2.345 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)N(C(C)=O)C2)cc1C ZINC000980276914 628771104 /nfs/dbraw/zinc/77/11/04/628771104.db2.gz YSSRCMMPMXLMMD-CJNGLKHVSA-N 1 0 290.407 2.350 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1([NH3+])CCC1 ZINC000094294499 628811550 /nfs/dbraw/zinc/81/15/50/628811550.db2.gz PLYQLRFTKXEDQW-UHFFFAOYSA-N 1 0 289.423 2.373 20 10 CECDRO CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000925788124 628828624 /nfs/dbraw/zinc/82/86/24/628828624.db2.gz YJMTTZJCKYNJAA-DAXOMENPSA-N 1 0 261.413 2.401 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000106917593 628856400 /nfs/dbraw/zinc/85/64/00/628856400.db2.gz UBQCQLYNWOCAHQ-ABAIWWIYSA-N 1 0 294.395 2.164 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)C(C)C ZINC000840967049 628935908 /nfs/dbraw/zinc/93/59/08/628935908.db2.gz CSMABXLGPBWROL-GXTWGEPZSA-N 1 0 255.333 2.416 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](CO)CC(C)C)c1 ZINC000236868899 628954080 /nfs/dbraw/zinc/95/40/80/628954080.db2.gz KSCWZCNPLRKDDE-CYBMUJFWSA-N 1 0 267.369 2.288 20 10 CECDRO C[C@@]1(C(=O)NCCCSc2nccs2)CCC[NH2+]C1 ZINC000237495017 628984924 /nfs/dbraw/zinc/98/49/24/628984924.db2.gz VVVYVKBHAOCDQU-CYBMUJFWSA-N 1 0 299.465 2.131 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1 ZINC000840978696 628987655 /nfs/dbraw/zinc/98/76/55/628987655.db2.gz PBTYSTMFUAKEIR-CHWSQXEVSA-N 1 0 279.380 2.384 20 10 CECDRO C[C@H](O)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000840979944 628988427 /nfs/dbraw/zinc/98/84/27/628988427.db2.gz VQBWKIWJTCYZLJ-LRDDRELGSA-N 1 0 287.359 2.127 20 10 CECDRO COc1ccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c(O)c1 ZINC000894185904 629195672 /nfs/dbraw/zinc/19/56/72/629195672.db2.gz UMBSDEGHUHAEAV-FFKNIBCLSA-N 1 0 277.364 2.448 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](C)Cc2cnccn2)c1O ZINC000894207763 629217852 /nfs/dbraw/zinc/21/78/52/629217852.db2.gz XSRSRZAEOUGAEW-GFCCVEGCSA-N 1 0 287.363 2.220 20 10 CECDRO CC[C@H](COC)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894287353 629307381 /nfs/dbraw/zinc/30/73/81/629307381.db2.gz DUIAFXIAHLYIEB-GFCCVEGCSA-N 1 0 253.342 2.224 20 10 CECDRO CC[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(C)cc1O ZINC000794815019 629327535 /nfs/dbraw/zinc/32/75/35/629327535.db2.gz HBNMINGVLHAFNQ-GFCCVEGCSA-N 1 0 264.369 2.253 20 10 CECDRO COCC1([NH2+]Cc2ccc(OC)c(OC)c2O)CCC1 ZINC000894306001 629327760 /nfs/dbraw/zinc/32/77/60/629327760.db2.gz TZRMLYVRHWTHJZ-UHFFFAOYSA-N 1 0 281.352 2.068 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)c1ccc(C)cc1O ZINC000794815300 629327930 /nfs/dbraw/zinc/32/79/30/629327930.db2.gz JTNGOXHZLIKEGC-DGCLKSJQSA-N 1 0 264.369 2.218 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c(O)c1OC ZINC000894419502 629451074 /nfs/dbraw/zinc/45/10/74/629451074.db2.gz GIIFFYMBTLCSCB-RYUDHWBXSA-N 1 0 295.379 2.172 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC[C@H]2CCOC2)c1O ZINC000894444869 629464928 /nfs/dbraw/zinc/46/49/28/629464928.db2.gz JDZBQYLSZUNPET-LBPRGKRZSA-N 1 0 265.353 2.225 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)CN(C)C(C)C)c(O)c1OC ZINC000894549922 629529374 /nfs/dbraw/zinc/52/93/74/629529374.db2.gz TZGQHMYFXDDGLF-GFCCVEGCSA-N 1 0 296.411 2.228 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c(O)c1OC ZINC000894817470 629655780 /nfs/dbraw/zinc/65/57/80/629655780.db2.gz QUTWODGHTLYCHW-JQWIXIFHSA-N 1 0 281.352 2.067 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C ZINC000894861505 629700546 /nfs/dbraw/zinc/70/05/46/629700546.db2.gz JJHVTWBPCQUIIA-ZIAGYGMSSA-N 1 0 274.408 2.488 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)cc1C ZINC000796488074 629919156 /nfs/dbraw/zinc/91/91/56/629919156.db2.gz BSDCURABXNNONO-GFCCVEGCSA-N 1 0 297.420 2.059 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CCC(F)(F)CC1)[C@H](O)CO2 ZINC000794686426 630012686 /nfs/dbraw/zinc/01/26/86/630012686.db2.gz QBGUTFUUUCVGSD-GFCCVEGCSA-N 1 0 285.290 2.049 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CCC(F)(F)CC1)[C@@H](O)CO2 ZINC000794686433 630012933 /nfs/dbraw/zinc/01/29/33/630012933.db2.gz QBGUTFUUUCVGSD-LBPRGKRZSA-N 1 0 285.290 2.049 20 10 CECDRO CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(F)cc1[O-] ZINC000796962298 630086412 /nfs/dbraw/zinc/08/64/12/630086412.db2.gz TZSMDGNLTFXBTR-CQSZACIVSA-N 1 0 284.375 2.150 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1O ZINC000895391365 630160439 /nfs/dbraw/zinc/16/04/39/630160439.db2.gz YDRCIMSXLIRQQE-WBMJQRKESA-N 1 0 277.364 2.366 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@H]2C=CCC2)cc1OC ZINC000895528651 630235609 /nfs/dbraw/zinc/23/56/09/630235609.db2.gz YYJWIVNABBQKSM-NSHDSACASA-N 1 0 263.337 2.465 20 10 CECDRO COc1ccc(C[NH2+]CC2CC=CC2)c(O)c1OC ZINC000895564876 630251963 /nfs/dbraw/zinc/25/19/63/630251963.db2.gz MPXKRNALSGEXOX-UHFFFAOYSA-N 1 0 263.337 2.465 20 10 CECDRO COc1ccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c(O)c1OC ZINC000895570204 630252223 /nfs/dbraw/zinc/25/22/23/630252223.db2.gz GXLMYGAYROQOBC-BZNIZROVSA-N 1 0 293.363 2.067 20 10 CECDRO COc1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c(O)c(C(C)(C)C)c1 ZINC000895652967 630294833 /nfs/dbraw/zinc/29/48/33/630294833.db2.gz KKINKQFBMXDVJH-SJKOYZFVSA-N 1 0 291.391 2.265 20 10 CECDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895783797 630343459 /nfs/dbraw/zinc/34/34/59/630343459.db2.gz AQZVUNNQNUZUSH-LJWDBELGSA-N 1 0 267.756 2.248 20 10 CECDRO COc1ccc(C[NH2+]CCC(C)(C)OC)c(O)c1OC ZINC000895816544 630360627 /nfs/dbraw/zinc/36/06/27/630360627.db2.gz KKSLDZHEEIIUDI-UHFFFAOYSA-N 1 0 283.368 2.314 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895845122 630368877 /nfs/dbraw/zinc/36/88/77/630368877.db2.gz NFOVRPMKYOBSAB-WFASDCNBSA-N 1 0 277.364 2.402 20 10 CECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895876880 630381877 /nfs/dbraw/zinc/38/18/77/630381877.db2.gz HGBZLLMPXGIDCG-CMPLNLGQSA-N 1 0 283.368 2.049 20 10 CECDRO COc1ccc(C[N@@H+]2C[C@H](OC)CC[C@H]2C)c(O)c1OC ZINC000896076472 630458804 /nfs/dbraw/zinc/45/88/04/630458804.db2.gz QRJTVRUFFNMVEB-DGCLKSJQSA-N 1 0 295.379 2.409 20 10 CECDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cccc(C)c3O)C[C@@H]21 ZINC000896447562 630568235 /nfs/dbraw/zinc/56/82/35/630568235.db2.gz XVJCCMLUAXUGLE-QLFBSQMISA-N 1 0 289.375 2.332 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(Cl)ccc1O ZINC000795844415 630684243 /nfs/dbraw/zinc/68/42/43/630684243.db2.gz JZMGBQHYYYVHHY-SSDOTTSWSA-N 1 0 292.713 2.078 20 10 CECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000896956557 630842407 /nfs/dbraw/zinc/84/24/07/630842407.db2.gz UGQSOWNGMTXIMU-CYBMUJFWSA-N 1 0 263.337 2.086 20 10 CECDRO COc1ncc(C[N@H+](C)Cc2ccccc2O)c(C)n1 ZINC000799137406 630985464 /nfs/dbraw/zinc/98/54/64/630985464.db2.gz XFKNRHKTZUQUEZ-UHFFFAOYSA-N 1 0 273.336 2.131 20 10 CECDRO Cc1cc(O)c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000824948767 635530241 /nfs/dbraw/zinc/53/02/41/635530241.db2.gz GZDDCABDAKFLHE-VXGBXAGGSA-N 1 0 266.772 2.005 20 10 CECDRO OCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1O ZINC000799349818 631018389 /nfs/dbraw/zinc/01/83/89/631018389.db2.gz KQJUARRLTXLCAC-INIZCTEOSA-N 1 0 271.360 2.476 20 10 CECDRO OC[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000310711646 631123452 /nfs/dbraw/zinc/12/34/52/631123452.db2.gz CTSJFYXOSZBHFK-GWCFXTLKSA-N 1 0 253.317 2.172 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC000985839874 631187969 /nfs/dbraw/zinc/18/79/69/631187969.db2.gz UZRQXQKYSIEXPQ-UKRRQHHQSA-N 1 0 290.407 2.493 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)[C@H](C)[NH+](C)C ZINC000801548358 631287706 /nfs/dbraw/zinc/28/77/06/631287706.db2.gz SXTUOCVFPMTKOC-ZDUSSCGKSA-N 1 0 278.396 2.471 20 10 CECDRO COCCO[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000802653364 631440828 /nfs/dbraw/zinc/44/08/28/631440828.db2.gz SYAWQAJNSKEEIN-AWEZNQCLSA-N 1 0 283.343 2.159 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(Cl)cc1O ZINC000841743570 631535132 /nfs/dbraw/zinc/53/51/32/631535132.db2.gz AYNQOOHFGFRZDN-SKDRFNHKSA-N 1 0 282.771 2.365 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(Cl)cc1O ZINC000841743567 631535328 /nfs/dbraw/zinc/53/53/28/631535328.db2.gz AYNQOOHFGFRZDN-JOYOIKCWSA-N 1 0 282.771 2.365 20 10 CECDRO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1O)C(=O)NCCF ZINC000841752260 631677351 /nfs/dbraw/zinc/67/73/51/631677351.db2.gz NWCHLJFMBKOEHT-RKDXNWHRSA-N 1 0 288.750 2.170 20 10 CECDRO OC1(C2(C[NH2+]Cc3ccc4c(c3)CCO4)CC2)CCC1 ZINC000897531039 631680280 /nfs/dbraw/zinc/68/02/80/631680280.db2.gz WNCDJAGSOCDZGO-UHFFFAOYSA-N 1 0 273.376 2.406 20 10 CECDRO C[C@H]1C[C@@H](CN2CCOc3cc(N(C)C)ccc32)CC[NH2+]1 ZINC000841011244 631710669 /nfs/dbraw/zinc/71/06/69/631710669.db2.gz FVJOXHDAFRONSJ-KBPBESRZSA-N 1 0 289.423 2.340 20 10 CECDRO C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccccc1O ZINC000806178830 631724767 /nfs/dbraw/zinc/72/47/67/631724767.db2.gz JOIYHIZSTRVELO-JSGCOSHPSA-N 1 0 272.348 2.214 20 10 CECDRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841754080 631751008 /nfs/dbraw/zinc/75/10/08/631751008.db2.gz YSWRIPQNIYDVLS-TUAOUCFPSA-N 1 0 299.798 2.341 20 10 CECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841033169 631819611 /nfs/dbraw/zinc/81/96/11/631819611.db2.gz OCXFELBSGAJXRS-VIFPVBQESA-N 1 0 272.751 2.274 20 10 CECDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000840092620 631836274 /nfs/dbraw/zinc/83/62/74/631836274.db2.gz CIUUODDZPMLHJP-CQSZACIVSA-N 1 0 278.396 2.235 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000808420567 631960710 /nfs/dbraw/zinc/96/07/10/631960710.db2.gz IZANQGHVIKDFNK-CQSZACIVSA-N 1 0 287.359 2.094 20 10 CECDRO CCOc1cccc(C[NH2+]C2CC(CCO)C2)c1O ZINC000898007907 631999139 /nfs/dbraw/zinc/99/91/39/631999139.db2.gz JZZIYGNVBLOILW-UHFFFAOYSA-N 1 0 265.353 2.042 20 10 CECDRO CC[C@H]([NH2+]Cc1cn(C)nc1OC)c1ccccc1O ZINC000898026387 632020605 /nfs/dbraw/zinc/02/06/05/632020605.db2.gz VSFMGSLUFZNKGO-ZDUSSCGKSA-N 1 0 275.352 2.375 20 10 CECDRO CC1(C)CCN(CC[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000898035751 632029421 /nfs/dbraw/zinc/02/94/21/632029421.db2.gz ZOKCRBAXNPDBTM-UHFFFAOYSA-N 1 0 274.408 2.443 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)C2CC2)cc1F ZINC000809752212 632141237 /nfs/dbraw/zinc/14/12/37/632141237.db2.gz PKDQATOHPOUNBH-HNNXBMFYSA-N 1 0 266.360 2.094 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)OC)c(O)c1 ZINC000810174261 632191886 /nfs/dbraw/zinc/19/18/86/632191886.db2.gz QTNDJKHPNOCGJQ-GHMZBOCLSA-N 1 0 253.342 2.304 20 10 CECDRO CCO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)CN(C)C ZINC000926963937 632391522 /nfs/dbraw/zinc/39/15/22/632391522.db2.gz WASSBOXMFXKRAH-UONOGXRCSA-N 1 0 280.412 2.318 20 10 CECDRO O[C@H]1c2ccccc2C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000898392442 632473861 /nfs/dbraw/zinc/47/38/61/632473861.db2.gz GJDYSOIJHPKKBL-WMZOPIPTSA-N 1 0 281.355 2.369 20 10 CECDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCSC2)N(C)C)cc1 ZINC000898451350 632500202 /nfs/dbraw/zinc/50/02/02/632500202.db2.gz YCKGEXWUAOYKAK-GDBMZVCRSA-N 1 0 293.480 2.450 20 10 CECDRO COCC[C@@H]1COCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000812299620 632505574 /nfs/dbraw/zinc/50/55/74/632505574.db2.gz ODASZFGSPKFJOE-OAHLLOKOSA-N 1 0 279.380 2.246 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1O ZINC000899181403 632726941 /nfs/dbraw/zinc/72/69/41/632726941.db2.gz BREZCXSZXWJQSW-YPMHNXCESA-N 1 0 276.380 2.442 20 10 CECDRO CC[C@@H]([NH2+]C1COCCOC1)c1ccc(C)cc1O ZINC000813880802 632751521 /nfs/dbraw/zinc/75/15/21/632751521.db2.gz PXNNIIQSIFGKOT-CQSZACIVSA-N 1 0 265.353 2.157 20 10 CECDRO Cc1cc(C[NH+]2CCC3(CC2)OCCO3)ccc1N(C)C ZINC000815019588 632950654 /nfs/dbraw/zinc/95/06/54/632950654.db2.gz JUWBBFHMSIFRTP-UHFFFAOYSA-N 1 0 290.407 2.400 20 10 CECDRO CCOC(=O)CC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815034407 632951255 /nfs/dbraw/zinc/95/12/55/632951255.db2.gz NLALKPHRIAHOLK-UHFFFAOYSA-N 1 0 278.396 2.446 20 10 CECDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000815094461 632957859 /nfs/dbraw/zinc/95/78/59/632957859.db2.gz BURGVDIUFJMTON-RDJZCZTQSA-N 1 0 292.423 2.345 20 10 CECDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816520459 633406231 /nfs/dbraw/zinc/40/62/31/633406231.db2.gz PYMGELPYOUMPCH-GFCCVEGCSA-N 1 0 286.375 2.359 20 10 CECDRO OC[C@@]1(F)CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816600858 633421067 /nfs/dbraw/zinc/42/10/67/633421067.db2.gz JOOCDFFSOCCQJK-MRXNPFEDSA-N 1 0 275.323 2.452 20 10 CECDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc(F)ccc1O ZINC000816660829 633458733 /nfs/dbraw/zinc/45/87/33/633458733.db2.gz QTPZTUWIVNLWKL-ZDUSSCGKSA-N 1 0 252.333 2.057 20 10 CECDRO COC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C(C)C ZINC000817939520 633788706 /nfs/dbraw/zinc/78/87/06/633788706.db2.gz CAGXBVGVFQIDDP-JKSUJKDBSA-N 1 0 279.428 2.013 20 10 CECDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)[C@H]1C[C@H]1C ZINC000817940887 633789990 /nfs/dbraw/zinc/78/99/90/633789990.db2.gz LWGVLZUMHYQXIA-MPTQWLOMSA-N 1 0 261.413 2.387 20 10 CECDRO Cc1n[nH]cc1[C@@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817941399 633790006 /nfs/dbraw/zinc/79/00/06/633790006.db2.gz JQKHDWZPNKNUTB-BZNIZROVSA-N 1 0 287.411 2.135 20 10 CECDRO C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000817944427 633790368 /nfs/dbraw/zinc/79/03/68/633790368.db2.gz BSKMDTSUETVQDL-KKZNHRDASA-N 1 0 250.317 2.031 20 10 CECDRO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817942635 633791079 /nfs/dbraw/zinc/79/10/79/633791079.db2.gz QEOAHJROVKVJBC-CJNGLKHVSA-N 1 0 284.407 2.498 20 10 CECDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817948295 633793126 /nfs/dbraw/zinc/79/31/26/633793126.db2.gz WUMKMQKYRGQTAD-SDDRHHMPSA-N 1 0 293.367 2.339 20 10 CECDRO Cn1ccnc1[C@H]([NH2+]CCc1ccc(N)cc1)C1CC1 ZINC000817958530 633801416 /nfs/dbraw/zinc/80/14/16/633801416.db2.gz WTAMAIQPILAMAX-OAHLLOKOSA-N 1 0 270.380 2.286 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cc1[O-] ZINC000817972627 633815017 /nfs/dbraw/zinc/81/50/17/633815017.db2.gz YUPWLFSBZGQKLI-GBIKHYSHSA-N 1 0 252.333 2.180 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)c(O)c1C ZINC000817976342 633819163 /nfs/dbraw/zinc/81/91/63/633819163.db2.gz KEHHSEADPURNJG-AVGNSLFASA-N 1 0 266.360 2.360 20 10 CECDRO C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817976655 633819825 /nfs/dbraw/zinc/81/98/25/633819825.db2.gz QMZIPGNAQRSQFA-QWRGUYRKSA-N 1 0 281.356 2.469 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CNCCO1)c1cc(Cl)ccc1O ZINC000817982890 633826953 /nfs/dbraw/zinc/82/69/53/633826953.db2.gz JHFSTQMAOKGLLS-AAEUAGOBSA-N 1 0 284.787 2.075 20 10 CECDRO O=C(NCc1ccccc1O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901125507 633955335 /nfs/dbraw/zinc/95/53/35/633955335.db2.gz YESIKYUBAGGYHU-KBPBESRZSA-N 1 0 274.364 2.025 20 10 CECDRO CC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000819376760 634161808 /nfs/dbraw/zinc/16/18/08/634161808.db2.gz IUELXBBVTYSHHS-CZUORRHYSA-N 1 0 264.413 2.353 20 10 CECDRO C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(N(C)C)cc1 ZINC000822081200 634845983 /nfs/dbraw/zinc/84/59/83/634845983.db2.gz CYFGWLNXLQXGMQ-KBPBESRZSA-N 1 0 289.423 2.272 20 10 CECDRO COC[C@H](C)C[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822494475 634931048 /nfs/dbraw/zinc/93/10/48/634931048.db2.gz POQWOVLGPGYMBV-HUUCEWRRSA-N 1 0 292.423 2.394 20 10 CECDRO COc1ccc(O)c(C[NH+]2CC(CC(F)F)C2)c1 ZINC000822521040 634936272 /nfs/dbraw/zinc/93/62/72/634936272.db2.gz WDVANAXGBULOAH-UHFFFAOYSA-N 1 0 257.280 2.488 20 10 CECDRO COc1nn(C)cc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000903337666 635067885 /nfs/dbraw/zinc/06/78/85/635067885.db2.gz KYYQPGQVFNBPGC-VIFPVBQESA-N 1 0 279.315 2.124 20 10 CECDRO CC[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccccc1O ZINC000903343204 635071540 /nfs/dbraw/zinc/07/15/40/635071540.db2.gz NMUCIGPNYHIDTD-ZIAGYGMSSA-N 1 0 278.396 2.154 20 10 CECDRO C[C@@H](c1ncccn1)N1CCCc2cc(C[NH3+])ccc21 ZINC000903423582 635124266 /nfs/dbraw/zinc/12/42/66/635124266.db2.gz XNPKWDICEFSDMQ-LBPRGKRZSA-N 1 0 268.364 2.449 20 10 CECDRO CCn1nnc(C)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000823736435 635268499 /nfs/dbraw/zinc/26/84/99/635268499.db2.gz BMTCXSVGUHCGFN-UHFFFAOYSA-N 1 0 291.374 2.101 20 10 CECDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC000823769022 635274738 /nfs/dbraw/zinc/27/47/38/635274738.db2.gz HNLWDPDSLJFGNY-AWEZNQCLSA-N 1 0 299.374 2.041 20 10 CECDRO CCC1([NH3+])CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000903945960 635377649 /nfs/dbraw/zinc/37/76/49/635377649.db2.gz BBBZTEJEGYAALK-UHFFFAOYSA-N 1 0 252.333 2.235 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(N)ccn2)c1 ZINC000903951496 635384927 /nfs/dbraw/zinc/38/49/27/635384927.db2.gz ZDRNRVGKQIHGGC-UHFFFAOYSA-N 1 0 273.336 2.058 20 10 CECDRO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824560244 635451686 /nfs/dbraw/zinc/45/16/86/635451686.db2.gz DSCIMAMUZPWJOD-ZDUSSCGKSA-N 1 0 296.798 2.455 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2CC)c(O)c1 ZINC000824637171 635468663 /nfs/dbraw/zinc/46/86/63/635468663.db2.gz WKMGHIIEXAMRLA-DZGCQCFKSA-N 1 0 279.380 2.384 20 10 CECDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000824636816 635468708 /nfs/dbraw/zinc/46/87/08/635468708.db2.gz TYMBCOPWXBJLAA-HOCLYGCPSA-N 1 0 262.397 2.345 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000824709731 635483371 /nfs/dbraw/zinc/48/33/71/635483371.db2.gz SHVIXFFWFMRXIU-XJKSGUPXSA-N 1 0 296.386 2.033 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CC1(CF)CCOCC1 ZINC000824795254 635499767 /nfs/dbraw/zinc/49/97/67/635499767.db2.gz QXJZDVHPEFEYSY-UHFFFAOYSA-N 1 0 271.307 2.387 20 10 CECDRO OC[C@@H]([C@H]([NH2+]Cc1cc(F)ccc1O)C1CC1)C1CC1 ZINC000824846435 635510895 /nfs/dbraw/zinc/51/08/95/635510895.db2.gz SCGIWWTUMNMUOO-GDBMZVCRSA-N 1 0 279.355 2.418 20 10 CECDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000824854871 635512335 /nfs/dbraw/zinc/51/23/35/635512335.db2.gz YPWLOSHJXBINAV-OLZOCXBDSA-N 1 0 281.327 2.353 20 10 CECDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000824853349 635512666 /nfs/dbraw/zinc/51/26/66/635512666.db2.gz BWPQGMJVTGTDOI-CABCVRRESA-N 1 0 289.375 2.443 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@H]3CCN(C)[C@H]3C2)cc1C ZINC000824893307 635518951 /nfs/dbraw/zinc/51/89/51/635518951.db2.gz OVGJLGSRBWPKLT-HIFRSBDPSA-N 1 0 260.381 2.145 20 10 CECDRO COCCN(C)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825185085 635587616 /nfs/dbraw/zinc/58/76/16/635587616.db2.gz IOOHOLFUIDHEMI-UHFFFAOYSA-N 1 0 286.803 2.022 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@H](O)C2CCC2)ccc1OC ZINC000825240163 635597440 /nfs/dbraw/zinc/59/74/40/635597440.db2.gz IKFKJJURLLIWPT-INIZCTEOSA-N 1 0 293.407 2.482 20 10 CECDRO OC[C@H]([NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000825290997 635606918 /nfs/dbraw/zinc/60/69/18/635606918.db2.gz BQXHZPSWLMDNLP-NSHDSACASA-N 1 0 286.169 2.015 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c1O ZINC000904411640 635619447 /nfs/dbraw/zinc/61/94/47/635619447.db2.gz ONWKCBXXRSDYTD-WDEREUQCSA-N 1 0 298.814 2.471 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1Cl ZINC000825556655 635663616 /nfs/dbraw/zinc/66/36/16/635663616.db2.gz UDHZZZJGAQPDCR-GFCCVEGCSA-N 1 0 292.770 2.393 20 10 CECDRO CC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000826019831 635747440 /nfs/dbraw/zinc/74/74/40/635747440.db2.gz LDEXJOJQDMQTPY-OAHLLOKOSA-N 1 0 277.412 2.229 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H]2C)cc1Cl ZINC000826090085 635759773 /nfs/dbraw/zinc/75/97/73/635759773.db2.gz VHPQUWSUUZQATL-BXKDBHETSA-N 1 0 255.745 2.309 20 10 CECDRO Cc1cccc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1O ZINC000826298217 635770430 /nfs/dbraw/zinc/77/04/30/635770430.db2.gz JEVHLPKIITUFCM-UHFFFAOYSA-N 1 0 295.346 2.171 20 10 CECDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827291348 636282265 /nfs/dbraw/zinc/28/22/65/636282265.db2.gz KBUHDZRMQNZGOQ-TVQRCGJNSA-N 1 0 253.729 2.002 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000827593996 636362353 /nfs/dbraw/zinc/36/23/53/636362353.db2.gz DIKPZUPKUVWRAX-GXTWGEPZSA-N 1 0 277.364 2.259 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000827594005 636362386 /nfs/dbraw/zinc/36/23/86/636362386.db2.gz DIKPZUPKUVWRAX-TZMCWYRMSA-N 1 0 277.364 2.259 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c(O)c1 ZINC000827594769 636362474 /nfs/dbraw/zinc/36/24/74/636362474.db2.gz JMAAWGQMYZFOMD-UONOGXRCSA-N 1 0 277.364 2.259 20 10 CECDRO C[C@H](CO)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121393420 637108839 /nfs/dbraw/zinc/10/88/39/637108839.db2.gz WUICVIPUOWCRAS-ZFWWWQNUSA-N 1 0 279.380 2.002 20 10 CECDRO C[C@@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000832281587 637532572 /nfs/dbraw/zinc/53/25/72/637532572.db2.gz UNXOVSDFYAYCNB-LRDDRELGSA-N 1 0 289.423 2.305 20 10 CECDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000832296762 637537249 /nfs/dbraw/zinc/53/72/49/637537249.db2.gz NRIABJGYBCUZMO-SNVBAGLBSA-N 1 0 268.382 2.056 20 10 CECDRO CC[N@H+](CCC(=O)OC)Cc1c(C)cccc1O ZINC000876630647 650367413 /nfs/dbraw/zinc/36/74/13/650367413.db2.gz HEPRPBHEGSFQAI-UHFFFAOYSA-N 1 0 251.326 2.086 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)c1ccco1)CC2 ZINC000834502163 637849560 /nfs/dbraw/zinc/84/95/60/637849560.db2.gz NFZGTMGAVHOWCU-DGCLKSJQSA-N 1 0 259.305 2.296 20 10 CECDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834544583 637860457 /nfs/dbraw/zinc/86/04/57/637860457.db2.gz NWKGLKLCVFEBCF-SMDDNHRTSA-N 1 0 269.348 2.390 20 10 CECDRO CCN1C[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1=O ZINC000834889843 637979366 /nfs/dbraw/zinc/97/93/66/637979366.db2.gz KJARNAGQNIVOOI-GXSJLCMTSA-N 1 0 282.771 2.317 20 10 CECDRO CCN1C[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1=O ZINC000834892382 637980478 /nfs/dbraw/zinc/98/04/78/637980478.db2.gz VCRDIIYKSRMFAF-QWHCGFSZSA-N 1 0 276.380 2.280 20 10 CECDRO CC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)NC ZINC000834912418 637986098 /nfs/dbraw/zinc/98/60/98/637986098.db2.gz LXKUVTIJLJMFHF-MIMYLULJSA-N 1 0 280.343 2.194 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1cc2c(cc1O)CCCC2)C(=O)NC ZINC000834911174 637986114 /nfs/dbraw/zinc/98/61/14/637986114.db2.gz HKYARGYONTXMQS-ABAIWWIYSA-N 1 0 290.407 2.446 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CC)C(=O)NC)c1ccc(C)cc1O ZINC000834910889 637986328 /nfs/dbraw/zinc/98/63/28/637986328.db2.gz GJRLGWMITDSSSC-OLZOCXBDSA-N 1 0 264.369 2.266 20 10 CECDRO CN(C)C(=O)CCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835038333 638034318 /nfs/dbraw/zinc/03/43/18/638034318.db2.gz VYQKDONHRGUTTJ-ALCCZGGFSA-N 1 0 289.423 2.224 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccn(C)n2)cc1 ZINC000835040210 638034454 /nfs/dbraw/zinc/03/44/54/638034454.db2.gz BRYYVQNKGMWOFW-PLNGDYQASA-N 1 0 270.380 2.289 20 10 CECDRO CC[C@@H](CO)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835055057 638040367 /nfs/dbraw/zinc/04/03/67/638040367.db2.gz PNFQKZAEWXZLEZ-XHPSBEMXSA-N 1 0 262.397 2.469 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@H+](C)C[C@@H](O)C2CC2)cc1 ZINC000835054245 638041172 /nfs/dbraw/zinc/04/11/72/638041172.db2.gz TXAXTHTWRGPTFW-VGOKWCNXSA-N 1 0 274.408 2.469 20 10 CECDRO CC[C@@H](CO)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835055055 638041261 /nfs/dbraw/zinc/04/12/61/638041261.db2.gz PNFQKZAEWXZLEZ-LFAOLKIESA-N 1 0 262.397 2.469 20 10 CECDRO COCCOCC[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835057001 638041933 /nfs/dbraw/zinc/04/19/33/638041933.db2.gz XLDHZFJDFAOZGM-AATRIKPKSA-N 1 0 292.423 2.361 20 10 CECDRO COCC[C@@H](COC)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835056014 638042412 /nfs/dbraw/zinc/04/24/12/638042412.db2.gz RCCIMPAHGVNRDG-JFDDCEBESA-N 1 0 292.423 2.407 20 10 CECDRO Cc1ccc2c(c1)O[C@H](C)CN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000876665765 650388534 /nfs/dbraw/zinc/38/85/34/650388534.db2.gz HIHSVNJGQCBHOA-YPMHNXCESA-N 1 0 272.348 2.156 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000876918966 650486076 /nfs/dbraw/zinc/48/60/76/650486076.db2.gz PVTOUCZBNHFZGH-CQSZACIVSA-N 1 0 287.359 2.230 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c1 ZINC000224866322 639466621 /nfs/dbraw/zinc/46/66/21/639466621.db2.gz AVSDOPVGTILFLW-WCQYABFASA-N 1 0 265.353 2.042 20 10 CECDRO Cc1nccn1CCC[NH2+]Cc1ccc(C)cc1O ZINC000876945369 650499375 /nfs/dbraw/zinc/49/93/75/650499375.db2.gz BEYHGTWSSRXRMG-UHFFFAOYSA-N 1 0 259.353 2.385 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)C2CC2)c(Cl)c1 ZINC000840897609 639576603 /nfs/dbraw/zinc/57/66/03/639576603.db2.gz DQCCXKCLTLOKPV-CYBMUJFWSA-N 1 0 255.745 2.215 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCOC[C@H]2CCOC2)c(Cl)c1 ZINC000840898964 639576619 /nfs/dbraw/zinc/57/66/19/639576619.db2.gz YTIBSQZSDJZAEW-LBPRGKRZSA-N 1 0 299.798 2.497 20 10 CECDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840907791 639581072 /nfs/dbraw/zinc/58/10/72/639581072.db2.gz QYGDQBJREQWZST-GWCFXTLKSA-N 1 0 296.798 2.358 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840910398 639582716 /nfs/dbraw/zinc/58/27/16/639582716.db2.gz LXCNXWAVMVCHRZ-CQSZACIVSA-N 1 0 276.380 2.056 20 10 CECDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840910031 639583325 /nfs/dbraw/zinc/58/33/25/639583325.db2.gz JSKZQELFUINKPB-MRXNPFEDSA-N 1 0 289.423 2.162 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000840918339 639586220 /nfs/dbraw/zinc/58/62/20/639586220.db2.gz SKINTDSZRHUZOX-INIZCTEOSA-N 1 0 262.397 2.408 20 10 CECDRO CN1CCC[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000227439045 639590377 /nfs/dbraw/zinc/59/03/77/639590377.db2.gz WPMYUCULHVFJOC-LBPRGKRZSA-N 1 0 299.212 2.339 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2cn[nH]c2)c(Cl)c1 ZINC000840945941 639596756 /nfs/dbraw/zinc/59/67/56/639596756.db2.gz BHDWSLLOWQCQCJ-UHFFFAOYSA-N 1 0 265.744 2.409 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000840948990 639597313 /nfs/dbraw/zinc/59/73/13/639597313.db2.gz LPHMZHUFZAJMIK-INIZCTEOSA-N 1 0 262.397 2.408 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@@H](C)O ZINC000840949674 639598094 /nfs/dbraw/zinc/59/80/94/639598094.db2.gz AMKWPRVMSCXZRS-IUODEOHRSA-N 1 0 250.386 2.310 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000840952953 639599387 /nfs/dbraw/zinc/59/93/87/639599387.db2.gz JVPAQHFYLXWPEO-ZBFHGGJFSA-N 1 0 262.397 2.312 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000840951621 639599481 /nfs/dbraw/zinc/59/94/81/639599481.db2.gz ZUOOYPBHAHQEES-OAHLLOKOSA-N 1 0 284.350 2.263 20 10 CECDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@H](O)C(C)C ZINC000840968130 639604443 /nfs/dbraw/zinc/60/44/43/639604443.db2.gz VTOWULYUKAARKP-GXTWGEPZSA-N 1 0 267.369 2.286 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1O ZINC000840971270 639605693 /nfs/dbraw/zinc/60/56/93/639605693.db2.gz KVNDHEGQWXYXDO-MFKMUULPSA-N 1 0 287.306 2.039 20 10 CECDRO Cc1ccc(C[NH2+][C@H](C)C(=O)NCc2ccccc2)c(O)c1 ZINC000876964539 650510345 /nfs/dbraw/zinc/51/03/45/650510345.db2.gz IOYNKAMAAGDNPK-CQSZACIVSA-N 1 0 298.386 2.495 20 10 CECDRO CN(C)c1ccc(/C=C\CN[C@H](C[NH3+])C2CC2)cc1 ZINC000841027937 639621548 /nfs/dbraw/zinc/62/15/48/639621548.db2.gz GSPMMPFOQQDGGV-MJSXRHKHSA-N 1 0 259.397 2.093 20 10 CECDRO C[C@@H]([NH2+]Cc1cccc(F)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000841032706 639624985 /nfs/dbraw/zinc/62/49/85/639624985.db2.gz FNZLQYLFLNTKFS-GHMZBOCLSA-N 1 0 252.333 2.009 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2CC[C@@H]1CCCO1 ZINC000087249202 639625300 /nfs/dbraw/zinc/62/53/00/639625300.db2.gz CJRHZINFTFBSTB-HNNXBMFYSA-N 1 0 260.381 2.467 20 10 CECDRO NC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000841039608 639630189 /nfs/dbraw/zinc/63/01/89/639630189.db2.gz WIKIEOLHWCSBTG-ZDUSSCGKSA-N 1 0 292.379 2.118 20 10 CECDRO COC[C@@H](CC(C)C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045920 639631230 /nfs/dbraw/zinc/63/12/30/639631230.db2.gz SQQATQOLHWBISW-WBVHZDCISA-N 1 0 293.455 2.403 20 10 CECDRO COC(=O)N1CCC([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000876972265 650513022 /nfs/dbraw/zinc/51/30/22/650513022.db2.gz YRLVUFMRTDHTFQ-UHFFFAOYSA-N 1 0 278.352 2.021 20 10 CECDRO Cc1cc(O)c(CNCC2([NH3+])CCC2)c(Cl)c1 ZINC000841050133 639633511 /nfs/dbraw/zinc/63/35/11/639633511.db2.gz YHBVWRNDMKUMOB-UHFFFAOYSA-N 1 0 254.761 2.325 20 10 CECDRO [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000841085051 639649671 /nfs/dbraw/zinc/64/96/71/639649671.db2.gz SVYIYKRXSMRIKO-GXSJLCMTSA-N 1 0 299.212 2.372 20 10 CECDRO COc1cc(Cl)cc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c1O ZINC000229103664 639676700 /nfs/dbraw/zinc/67/67/00/639676700.db2.gz MBSIPGWCCVEZFG-AOOOYVTPSA-N 1 0 284.787 2.236 20 10 CECDRO COc1cccc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c1O ZINC000063191265 639837420 /nfs/dbraw/zinc/83/74/20/639837420.db2.gz XHYLCCOROGYTHP-DGCLKSJQSA-N 1 0 264.369 2.103 20 10 CECDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841748639 639857043 /nfs/dbraw/zinc/85/70/43/639857043.db2.gz XWUJVBCKGYRMFQ-SECBINFHSA-N 1 0 291.800 2.131 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(=O)N(C)C ZINC000841752948 639858326 /nfs/dbraw/zinc/85/83/26/639858326.db2.gz WJSQPVHHQYUYLR-DTWKUNHWSA-N 1 0 270.760 2.173 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(Cl)cc1O ZINC000841751512 639858478 /nfs/dbraw/zinc/85/84/78/639858478.db2.gz HPDISXBYPFDRRY-SSDOTTSWSA-N 1 0 292.713 2.078 20 10 CECDRO C[C@@H]([NH2+]CC(C)(C)OCCO)c1ccc(Cl)cc1O ZINC000841757359 639860513 /nfs/dbraw/zinc/86/05/13/639860513.db2.gz NQLVKWICZWNRMA-SNVBAGLBSA-N 1 0 287.787 2.484 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)[NH3+] ZINC000841949860 639910006 /nfs/dbraw/zinc/91/00/06/639910006.db2.gz HZJKKDRBWSDJDK-UHFFFAOYSA-N 1 0 279.384 2.051 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[NH3+] ZINC000841981591 639915102 /nfs/dbraw/zinc/91/51/02/639915102.db2.gz BKSUNKNBAMUGHF-LBPRGKRZSA-N 1 0 279.384 2.051 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)NC/C=C\C[NH3+] ZINC000841994872 639917239 /nfs/dbraw/zinc/91/72/39/639917239.db2.gz GADZWMAREOEQCA-SREVYHEPSA-N 1 0 291.395 2.219 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000842008146 639918184 /nfs/dbraw/zinc/91/81/84/639918184.db2.gz WBDVXOVJNQKVSR-QWHCGFSZSA-N 1 0 293.411 2.440 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)cc1C ZINC000842614748 640119049 /nfs/dbraw/zinc/11/90/49/640119049.db2.gz DHYDAYAAIXEBST-OAHLLOKOSA-N 1 0 298.390 2.485 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842720374 640158735 /nfs/dbraw/zinc/15/87/35/640158735.db2.gz GRKUPTGQWGEIEM-HNNXBMFYSA-N 1 0 289.423 2.242 20 10 CECDRO CCN(CC)c1ccc(CN2CCC[C@H]([NH3+])C2)cc1 ZINC000843043826 640250106 /nfs/dbraw/zinc/25/01/06/640250106.db2.gz JKXMCXAXBJJRGH-HNNXBMFYSA-N 1 0 261.413 2.456 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CCC[C@@H]([NH3+])C2)cc1 ZINC000843047285 640252767 /nfs/dbraw/zinc/25/27/67/640252767.db2.gz JSCFZEKBMMTJKJ-SJDLMVEWSA-N 1 0 259.397 2.189 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000843049001 640253951 /nfs/dbraw/zinc/25/39/51/640253951.db2.gz CTZRWDODUUJBFC-OKILXGFUSA-N 1 0 261.413 2.243 20 10 CECDRO C[NH2+]C[C@H]1CCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000843055041 640257097 /nfs/dbraw/zinc/25/70/97/640257097.db2.gz DTUFLIWKDBUNEO-XQDHMALISA-N 1 0 273.424 2.450 20 10 CECDRO CCOc1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(O)c1 ZINC000843054614 640257792 /nfs/dbraw/zinc/25/77/92/640257792.db2.gz WTKRYGNSCAQAHB-KGLIPLIRSA-N 1 0 276.380 2.117 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120145 640289203 /nfs/dbraw/zinc/28/92/03/640289203.db2.gz AMJRHFCTJNZZJM-UHFFFAOYSA-N 1 0 264.344 2.107 20 10 CECDRO CC[C@H](C)NC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350689 640399632 /nfs/dbraw/zinc/39/96/32/640399632.db2.gz WQSNDNQNIVGUBS-QWHCGFSZSA-N 1 0 289.423 2.201 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000843417390 640421939 /nfs/dbraw/zinc/42/19/39/640421939.db2.gz FIFIQWVDPANNLN-AWEZNQCLSA-N 1 0 265.378 2.100 20 10 CECDRO Nc1cc[nH+]cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000843489938 640441819 /nfs/dbraw/zinc/44/18/19/640441819.db2.gz OHPMOBIMAYTQNK-UHFFFAOYSA-N 1 0 297.358 2.009 20 10 CECDRO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)[nH]1 ZINC000877130416 650586953 /nfs/dbraw/zinc/58/69/53/650586953.db2.gz RIKMXASICBMWJO-SNVBAGLBSA-N 1 0 260.341 2.232 20 10 CECDRO CC[C@H](SC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844163222 640621465 /nfs/dbraw/zinc/62/14/65/640621465.db2.gz VVDSKXPACXIPDT-KGLIPLIRSA-N 1 0 295.452 2.010 20 10 CECDRO CN(C)c1ccc(CNC(=O)CCC(C)(C)[NH3+])cc1F ZINC000844178025 640624105 /nfs/dbraw/zinc/62/41/05/640624105.db2.gz XSPKFGNABVJGTL-UHFFFAOYSA-N 1 0 281.375 2.025 20 10 CECDRO [NH3+]CCC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000844911493 640863966 /nfs/dbraw/zinc/86/39/66/640863966.db2.gz MTYTWFPELRYWJE-UHFFFAOYSA-N 1 0 252.333 2.092 20 10 CECDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000846017895 641152999 /nfs/dbraw/zinc/15/29/99/641152999.db2.gz RBXUQBSZSORFCQ-GWCFXTLKSA-N 1 0 255.333 2.418 20 10 CECDRO C[C@@H](COCC1CC1)[NH2+]Cc1cc(F)ccc1O ZINC000846072867 641173026 /nfs/dbraw/zinc/17/30/26/641173026.db2.gz JRIFUAUMJRADND-JTQLQIEISA-N 1 0 253.317 2.436 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)CCF)c(Cl)c1 ZINC000846096096 641179541 /nfs/dbraw/zinc/17/95/41/641179541.db2.gz FMDLONYCMMLLSA-SECBINFHSA-N 1 0 261.724 2.164 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@@H](C)CCO ZINC000846111027 641185726 /nfs/dbraw/zinc/18/57/26/641185726.db2.gz MBXRTAYWFQGFGZ-ZDUSSCGKSA-N 1 0 250.386 2.264 20 10 CECDRO F[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000846122189 641193458 /nfs/dbraw/zinc/19/34/58/641193458.db2.gz KFWVQJKQYMOQBV-OAHLLOKOSA-N 1 0 278.371 2.457 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846144314 641200518 /nfs/dbraw/zinc/20/05/18/641200518.db2.gz CDWHGHDNLPQIRU-VXGBXAGGSA-N 1 0 292.379 2.062 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)c1O ZINC000846147422 641201806 /nfs/dbraw/zinc/20/18/06/641201806.db2.gz UXSHRAYCPYYMSD-ABAIWWIYSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1O ZINC000846162243 641208343 /nfs/dbraw/zinc/20/83/43/641208343.db2.gz CGFOPBWEZALINY-NWDGAFQWSA-N 1 0 287.363 2.263 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCC[C@@H](C)O)c1O ZINC000846169288 641210501 /nfs/dbraw/zinc/21/05/01/641210501.db2.gz ZSTJJDRIDMZXIC-GHMZBOCLSA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000846168836 641210831 /nfs/dbraw/zinc/21/08/31/641210831.db2.gz MOVCUBPQSLTABO-RYUDHWBXSA-N 1 0 289.379 2.416 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)[C@@H](O)C(F)F ZINC000846170423 641211464 /nfs/dbraw/zinc/21/14/64/641211464.db2.gz NNAJEODMUIZVLS-GMOODISLSA-N 1 0 289.322 2.456 20 10 CECDRO Cc1cccc(C[N@H+](C)CC(=O)NC(C)(C)C)c1O ZINC000179609448 641367008 /nfs/dbraw/zinc/36/70/08/641367008.db2.gz IEWBDAGLLGCGQL-UHFFFAOYSA-N 1 0 264.369 2.047 20 10 CECDRO O=C(NCCCSc1nccs1)[C@H]1CCC[NH2+]CC1 ZINC000846670200 641384696 /nfs/dbraw/zinc/38/46/96/641384696.db2.gz ATBIWPPPLZAHFM-NSHDSACASA-N 1 0 299.465 2.131 20 10 CECDRO C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000846705014 641403247 /nfs/dbraw/zinc/40/32/47/641403247.db2.gz WZOWGWHRAWIQKN-KOLCDFICSA-N 1 0 254.761 2.357 20 10 CECDRO C[C@H]1CN(Cc2cc(Cl)ccc2O)C[C@H](C)[NH2+]1 ZINC000070075303 641628335 /nfs/dbraw/zinc/62/83/35/641628335.db2.gz LTGGPBGPUYDDLZ-UWVGGRQHSA-N 1 0 254.761 2.228 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCC[NH3+] ZINC000070202492 641643857 /nfs/dbraw/zinc/64/38/57/641643857.db2.gz SVTGLWGFRKTTGG-UHFFFAOYSA-N 1 0 277.412 2.230 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOCC2CC2)c1 ZINC000182370210 641650396 /nfs/dbraw/zinc/65/03/96/641650396.db2.gz HTWJOHSUJOBWEQ-LLVKDONJSA-N 1 0 265.353 2.478 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CCO)CSC)c1 ZINC000185530351 641989627 /nfs/dbraw/zinc/98/96/27/641989627.db2.gz BIRAITGTEBUKGF-WDEREUQCSA-N 1 0 285.409 2.165 20 10 CECDRO C[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1ccccc1O ZINC000848557411 642051845 /nfs/dbraw/zinc/05/18/45/642051845.db2.gz JSOCVNZBEIDQRM-ZWNOBZJWSA-N 1 0 288.351 2.213 20 10 CECDRO CO[C@](C)(CO)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000848559288 642053556 /nfs/dbraw/zinc/05/35/56/642053556.db2.gz RUNKTUCNEJLCAK-PXAZEXFGSA-N 1 0 293.407 2.319 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c1 ZINC000848565221 642057431 /nfs/dbraw/zinc/05/74/31/642057431.db2.gz VEYJTJQDHDLMPD-VXGBXAGGSA-N 1 0 286.379 2.037 20 10 CECDRO CCc1cccc(C[N@@H+]2CCN(C(C)=O)C[C@@H]2C)c1O ZINC000848887061 642172271 /nfs/dbraw/zinc/17/22/71/642172271.db2.gz MPGNCNRBBFDBSE-LBPRGKRZSA-N 1 0 276.380 2.007 20 10 CECDRO CCc1cccc(C[NH2+]C2CCN(CCOC)CC2)c1O ZINC000848894280 642176179 /nfs/dbraw/zinc/17/61/79/642176179.db2.gz HYKGVRWVWCXHIV-UHFFFAOYSA-N 1 0 292.423 2.155 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000848897988 642176895 /nfs/dbraw/zinc/17/68/95/642176895.db2.gz NYLWPDGNHKPXOQ-AWEZNQCLSA-N 1 0 271.364 2.325 20 10 CECDRO CCc1cccc(C[NH2+]CCCCCS(C)(=O)=O)c1O ZINC000848904528 642181150 /nfs/dbraw/zinc/18/11/50/642181150.db2.gz WHYQHSSZAWPXAM-UHFFFAOYSA-N 1 0 299.436 2.259 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1O ZINC000848917701 642191331 /nfs/dbraw/zinc/19/13/31/642191331.db2.gz JSSQVGNRKIMXCA-HNNXBMFYSA-N 1 0 286.379 2.383 20 10 CECDRO CCCN(C[C@H](OC)[C@@H]1CCOC1)c1ccc(C[NH3+])cc1 ZINC000877477387 650739562 /nfs/dbraw/zinc/73/95/62/650739562.db2.gz CEGRBYHTPHHUMF-WBVHZDCISA-N 1 0 292.423 2.413 20 10 CECDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)cc2O)C1 ZINC000877490634 650747621 /nfs/dbraw/zinc/74/76/21/650747621.db2.gz BENSILCJIZGAHZ-CQSZACIVSA-N 1 0 276.380 2.049 20 10 CECDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000850138455 642592540 /nfs/dbraw/zinc/59/25/40/642592540.db2.gz FOOXIPZPIXRJBY-VBNZEHGJSA-N 1 0 290.407 2.348 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)c(O)c1 ZINC000877528895 650769770 /nfs/dbraw/zinc/76/97/70/650769770.db2.gz NODHTRMVYDRVCG-UHFFFAOYSA-N 1 0 284.350 2.473 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cnc(C)nc3)C2)cc1 ZINC000850346131 642675193 /nfs/dbraw/zinc/67/51/93/642675193.db2.gz QIQXCRCILXQFFS-HNNXBMFYSA-N 1 0 298.390 2.162 20 10 CECDRO Cc1ccncc1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850356293 642679906 /nfs/dbraw/zinc/67/99/06/642679906.db2.gz UCUGGOFTXQLLTL-UHFFFAOYSA-N 1 0 286.331 2.157 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H](CO)CC2CC2)c1O ZINC000850386856 642694227 /nfs/dbraw/zinc/69/42/27/642694227.db2.gz QLTJZKQTWLGSRO-CYBMUJFWSA-N 1 0 279.380 2.289 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC1SCCS1 ZINC000850401513 642701727 /nfs/dbraw/zinc/70/17/27/642701727.db2.gz HECMLEGKTPUQKW-UHFFFAOYSA-N 1 0 271.407 2.297 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1F ZINC000850418053 642705171 /nfs/dbraw/zinc/70/51/71/642705171.db2.gz WRORCQIHMOYVOP-JOCQHMNTSA-N 1 0 266.360 2.285 20 10 CECDRO c1cc2c(cc1C[NH2+]CCCO[C@@H]1CCOC1)CCCO2 ZINC000921835001 642715352 /nfs/dbraw/zinc/71/53/52/642715352.db2.gz KZZSSOZGEOKLPR-MRXNPFEDSA-N 1 0 291.391 2.297 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)c2ncnn21 ZINC000850499806 642732865 /nfs/dbraw/zinc/73/28/65/642732865.db2.gz XTBXZMPHRVKOBS-YUSALJHKSA-N 1 0 270.336 2.267 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C/C=C\CO)c2c1c(F)ccc2O ZINC000850507743 642735255 /nfs/dbraw/zinc/73/52/55/642735255.db2.gz HPGJXTGHONBQET-NWRGJWMSSA-N 1 0 251.301 2.218 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C/C=C/CO)c2c1c(F)ccc2O ZINC000850507737 642735386 /nfs/dbraw/zinc/73/53/86/642735386.db2.gz HPGJXTGHONBQET-GZWSGWKISA-N 1 0 251.301 2.218 20 10 CECDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565205 642753494 /nfs/dbraw/zinc/75/34/94/642753494.db2.gz CBKPYZFZDXFBQL-ZIAGYGMSSA-N 1 0 292.423 2.161 20 10 CECDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565201 642753582 /nfs/dbraw/zinc/75/35/82/642753582.db2.gz CBKPYZFZDXFBQL-KGLIPLIRSA-N 1 0 292.423 2.161 20 10 CECDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565199 642753807 /nfs/dbraw/zinc/75/38/07/642753807.db2.gz CBKPYZFZDXFBQL-KBPBESRZSA-N 1 0 292.423 2.161 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCCO1 ZINC000922078723 642866792 /nfs/dbraw/zinc/86/67/92/642866792.db2.gz GUXAQOKWMQQZTK-DOTOQJQBSA-N 1 0 291.391 2.295 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCCO1 ZINC000922078725 642867249 /nfs/dbraw/zinc/86/72/49/642867249.db2.gz GUXAQOKWMQQZTK-RDJZCZTQSA-N 1 0 291.391 2.295 20 10 CECDRO CO[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)[C@H]1CCOC1 ZINC000922237510 642974270 /nfs/dbraw/zinc/97/42/70/642974270.db2.gz ZXPCLTOYRHFRJO-DOTOQJQBSA-N 1 0 291.391 2.153 20 10 CECDRO O[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCC2 ZINC000922249012 642979813 /nfs/dbraw/zinc/97/98/13/642979813.db2.gz MJQRSZLBYXPCSQ-HOTGVXAUSA-N 1 0 273.376 2.405 20 10 CECDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000228099082 642988917 /nfs/dbraw/zinc/98/89/17/642988917.db2.gz HFNWUOCMTOHOLG-AWEZNQCLSA-N 1 0 282.771 2.004 20 10 CECDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877591892 650803873 /nfs/dbraw/zinc/80/38/73/650803873.db2.gz AOKDFVUPAUUMIY-ZDUSSCGKSA-N 1 0 295.404 2.039 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[NH2+]C ZINC000851680089 643113499 /nfs/dbraw/zinc/11/34/99/643113499.db2.gz GBZNQSZODMWJMV-CYBMUJFWSA-N 1 0 293.411 2.312 20 10 CECDRO Cc1ccc(C[NH2+]CCO[C@H]2CC2(F)F)c(O)c1 ZINC000877626841 650820599 /nfs/dbraw/zinc/82/05/99/650820599.db2.gz BNIJCLXAGJFYFW-LBPRGKRZSA-N 1 0 257.280 2.214 20 10 CECDRO C[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCCO1 ZINC000922815706 643279585 /nfs/dbraw/zinc/27/95/85/643279585.db2.gz FERVFDHAMOOYRU-OAHLLOKOSA-N 1 0 279.336 2.170 20 10 CECDRO CCOCCOCC[NH2+]Cc1c(O)cccc1Cl ZINC000922941316 643465944 /nfs/dbraw/zinc/46/59/44/643465944.db2.gz MOZUWLKXRUEPLA-UHFFFAOYSA-N 1 0 273.760 2.188 20 10 CECDRO CC[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000852555380 643469001 /nfs/dbraw/zinc/46/90/01/643469001.db2.gz SIIQOOLYCHBLIX-MRXNPFEDSA-N 1 0 289.423 2.147 20 10 CECDRO CCOc1ccc(N(C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000852745634 643530893 /nfs/dbraw/zinc/53/08/93/643530893.db2.gz YRCLXMUYVKXMLU-OAHLLOKOSA-N 1 0 276.380 2.043 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H](O)C(F)F ZINC000877677422 650846870 /nfs/dbraw/zinc/84/68/70/650846870.db2.gz VGCGJNTUQCWOEI-ZDUSSCGKSA-N 1 0 272.339 2.167 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCC2(C)C)cc1 ZINC000852790905 643552679 /nfs/dbraw/zinc/55/26/79/643552679.db2.gz CAIQHUJESSRHDN-GJZGRUSLSA-N 1 0 289.423 2.305 20 10 CECDRO O=C(C=C1CC[NH2+]CC1)N1CCc2cccc(F)c21 ZINC000852889732 643589536 /nfs/dbraw/zinc/58/95/36/643589536.db2.gz PYKSOFFEBGXGND-UHFFFAOYSA-N 1 0 260.312 2.025 20 10 CECDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)c1ccccn1 ZINC000853100229 643654411 /nfs/dbraw/zinc/65/44/11/643654411.db2.gz AEBOCZKVKTZLOJ-SFHVURJKSA-N 1 0 295.386 2.281 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853100592 643655006 /nfs/dbraw/zinc/65/50/06/643655006.db2.gz IWFXFIUAUHUAQS-QGZVFWFLSA-N 1 0 285.391 2.279 20 10 CECDRO Cc1cc(CN2CCC[C@H]3[NH2+]CC[C@H]32)ccc1N(C)C ZINC000923417066 643699176 /nfs/dbraw/zinc/69/91/76/643699176.db2.gz UEDLJESNNGTWQC-NVXWUHKLSA-N 1 0 273.424 2.387 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CN3CCC2CC3)cc1 ZINC000877706007 650861861 /nfs/dbraw/zinc/86/18/61/650861861.db2.gz DEVSXAOHUIDPRC-KRWDZBQOSA-N 1 0 273.424 2.279 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c(O)cc1C ZINC000853591321 643826393 /nfs/dbraw/zinc/82/63/93/643826393.db2.gz PTVNZQXEVQQVLD-OCCSQVGLSA-N 1 0 277.364 2.178 20 10 CECDRO COc1ccc(N2CC[C@H](N[C@H](C)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000854216635 644013044 /nfs/dbraw/zinc/01/30/44/644013044.db2.gz BNZPQFYZGXGJFZ-KEYYUXOJSA-N 1 0 289.423 2.004 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)cc1 ZINC000877753365 650896936 /nfs/dbraw/zinc/89/69/36/650896936.db2.gz NPBNVFJWGWCOBX-OAHLLOKOSA-N 1 0 262.397 2.345 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CC(C(F)F)C2)c1 ZINC000839140536 644171581 /nfs/dbraw/zinc/17/15/81/644171581.db2.gz DQRNSOSNSWCPON-UHFFFAOYSA-N 1 0 257.280 2.488 20 10 CECDRO C[C@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1ccccc1O ZINC000877757083 650899680 /nfs/dbraw/zinc/89/96/80/650899680.db2.gz FMQPXHHMDRWOKI-LBPRGKRZSA-N 1 0 291.395 2.189 20 10 CECDRO C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839495664 644240443 /nfs/dbraw/zinc/24/04/43/644240443.db2.gz UALSJOLRPLHLDJ-UONOGXRCSA-N 1 0 289.423 2.099 20 10 CECDRO Cc1ccc(C[NH2+]CCC[C@@H]2CCOC2=O)c(O)c1 ZINC000877806746 650916963 /nfs/dbraw/zinc/91/69/63/650916963.db2.gz LZEJWJVXUOWXMP-GFCCVEGCSA-N 1 0 263.337 2.134 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](N3CC=CC3)C2)c1O ZINC000754741946 644423620 /nfs/dbraw/zinc/42/36/20/644423620.db2.gz PJFGWKKOBCNYDO-OAHLLOKOSA-N 1 0 288.391 2.155 20 10 CECDRO CCCNC(=O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756355046 644634166 /nfs/dbraw/zinc/63/41/66/644634166.db2.gz GDHSMFFWUYPHNJ-ONGXEEELSA-N 1 0 280.343 2.195 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756733922 644687409 /nfs/dbraw/zinc/68/74/09/644687409.db2.gz RSQNCZFZQCQEGT-STQMWFEESA-N 1 0 267.369 2.403 20 10 CECDRO CCn1cnnc1CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756733303 644687416 /nfs/dbraw/zinc/68/74/16/644687416.db2.gz OLWGVLRBQIUQAB-GFCCVEGCSA-N 1 0 274.368 2.205 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000857084576 644813643 /nfs/dbraw/zinc/81/36/43/644813643.db2.gz WFGGQZXZGHUBGG-JOYOIKCWSA-N 1 0 282.771 2.317 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)C2CCOCC2)c(O)c1 ZINC000757660050 644832685 /nfs/dbraw/zinc/83/26/85/644832685.db2.gz ZFYCLKMMDBKIJW-IUODEOHRSA-N 1 0 279.380 2.139 20 10 CECDRO C[C@H]([NH2+]C1COC(C)(C)OC1)c1cc(F)ccc1O ZINC000757706522 644838804 /nfs/dbraw/zinc/83/88/04/644838804.db2.gz WCDSGMWUGLXSAI-VIFPVBQESA-N 1 0 269.316 2.333 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)cc1C ZINC000757911526 644856020 /nfs/dbraw/zinc/85/60/20/644856020.db2.gz YTZZXKQTYSNGSH-KBPBESRZSA-N 1 0 276.380 2.137 20 10 CECDRO CN(C)c1ccc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)cc1F ZINC000857225905 644858145 /nfs/dbraw/zinc/85/81/45/644858145.db2.gz AFIKYEQGVHFBQB-BBRMVZONSA-N 1 0 277.387 2.205 20 10 CECDRO CCOc1cccc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226152 644858869 /nfs/dbraw/zinc/85/88/69/644858869.db2.gz GARGZGROZNAPFC-BBRMVZONSA-N 1 0 276.380 2.104 20 10 CECDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1c(O)cccc1Cl)C2 ZINC000857226780 644859885 /nfs/dbraw/zinc/85/98/85/644859885.db2.gz ZDCRWAFHPONXSD-QMTHXVAHSA-N 1 0 266.772 2.359 20 10 CECDRO O=C(CCc1ncc[nH]1)NCc1cc(Cl)ccc1O ZINC000857548765 644919539 /nfs/dbraw/zinc/91/95/39/644919539.db2.gz VCEUXWZIFHQTGB-UHFFFAOYSA-N 1 0 279.727 2.018 20 10 CECDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cccc(O)c1O ZINC000758547263 644938702 /nfs/dbraw/zinc/93/87/02/644938702.db2.gz JJOVRCXKJVBIPR-NSHDSACASA-N 1 0 279.336 2.129 20 10 CECDRO CN(C)c1cc(F)c(CNCC(C)(C)[NH+](C)C)cc1F ZINC000858086425 645055477 /nfs/dbraw/zinc/05/54/77/645055477.db2.gz HZGGDOVLHIYGFK-UHFFFAOYSA-N 1 0 285.382 2.461 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C(C)(C)CCO)cc1F ZINC000858146282 645074477 /nfs/dbraw/zinc/07/44/77/645074477.db2.gz BQSPNOYBWOANAW-UHFFFAOYSA-N 1 0 272.339 2.281 20 10 CECDRO CC(C)[C@@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858148798 645075362 /nfs/dbraw/zinc/07/53/62/645075362.db2.gz LMAZHQQCWKATFV-CYBMUJFWSA-N 1 0 272.339 2.137 20 10 CECDRO CC(C)[C@H](CO)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858164518 645078271 /nfs/dbraw/zinc/07/82/71/645078271.db2.gz ZSKDXOIEYOELPX-LBPRGKRZSA-N 1 0 286.366 2.385 20 10 CECDRO CN(C)c1cc(F)c(CNC(C)(C)C[NH+](C)C)cc1F ZINC000858175754 645081727 /nfs/dbraw/zinc/08/17/27/645081727.db2.gz UKZIVBHYDLTUGL-UHFFFAOYSA-N 1 0 285.382 2.461 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)C1(CO)CC1 ZINC000858188620 645083667 /nfs/dbraw/zinc/08/36/67/645083667.db2.gz HIDKEYBZVPOYSI-SNVBAGLBSA-N 1 0 284.350 2.281 20 10 CECDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000858329475 645120442 /nfs/dbraw/zinc/12/04/42/645120442.db2.gz FAZTUCAPJIOFQK-WOVMCDHWSA-N 1 0 290.407 2.038 20 10 CECDRO C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Cl)ccc1O ZINC000858434449 645157665 /nfs/dbraw/zinc/15/76/65/645157665.db2.gz HEGFRFHJATTWAY-BXKDBHETSA-N 1 0 295.770 2.163 20 10 CECDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000858580602 645209183 /nfs/dbraw/zinc/20/91/83/645209183.db2.gz SDQPENXAWJJVPT-IUCAKERBSA-N 1 0 286.759 2.105 20 10 CECDRO C[C@@H]([NH2+]CCOC1CCOCC1)c1ccccc1O ZINC000859229049 645429771 /nfs/dbraw/zinc/42/97/71/645429771.db2.gz HTAIECQGQUKAMF-GFCCVEGCSA-N 1 0 265.353 2.238 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000765769585 645807054 /nfs/dbraw/zinc/80/70/54/645807054.db2.gz LHVHGFBIGZGCMC-HOCLYGCPSA-N 1 0 261.413 2.497 20 10 CECDRO CC[NH+]1CCC(N(C)Cc2c(O)cccc2OC)CC1 ZINC000768233004 646099959 /nfs/dbraw/zinc/09/99/59/646099959.db2.gz HYDMDFCVFVFVSE-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO CC[N@H+](CCOC)Cc1cc(OC)c(C)cc1O ZINC000768440596 646122939 /nfs/dbraw/zinc/12/29/39/646122939.db2.gz QYNLQYGCMVOLEC-UHFFFAOYSA-N 1 0 253.342 2.178 20 10 CECDRO C[N@H+](Cc1ccccc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768437723 646122979 /nfs/dbraw/zinc/12/29/79/646122979.db2.gz FIUPTOVXXKJUKE-MRXNPFEDSA-N 1 0 285.343 2.450 20 10 CECDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768447251 646123881 /nfs/dbraw/zinc/12/38/81/646123881.db2.gz NSLHLZGKBNIORS-ISTVAULSSA-N 1 0 295.404 2.144 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCOC(C)(C)[C@@H]2C)cc1OC ZINC000768462134 646126815 /nfs/dbraw/zinc/12/68/15/646126815.db2.gz JVPWICPDCNQUNO-NSHDSACASA-N 1 0 295.379 2.409 20 10 CECDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCS1 ZINC000768463061 646126937 /nfs/dbraw/zinc/12/69/37/646126937.db2.gz FPFOTVLJCBEECH-CYBMUJFWSA-N 1 0 295.404 2.145 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3CC3)C1)[C@H](O)CO2 ZINC000768465710 646128126 /nfs/dbraw/zinc/12/81/26/646128126.db2.gz QQKVEBNTLRKNDH-XHDPSFHLSA-N 1 0 275.348 2.050 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c(O)c1 ZINC000768518950 646134834 /nfs/dbraw/zinc/13/48/34/646134834.db2.gz JRIJIKBADOPYFK-OLZOCXBDSA-N 1 0 279.380 2.384 20 10 CECDRO COc1cccc(O)c1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000769143943 646214676 /nfs/dbraw/zinc/21/46/76/646214676.db2.gz DKJPRGULPBNCNJ-CQSZACIVSA-N 1 0 290.407 2.461 20 10 CECDRO COc1cccc(O)c1C[N@H+](CCCCO)C1CC1 ZINC000769404006 646261301 /nfs/dbraw/zinc/26/13/01/646261301.db2.gz HFWYVXPNFIMBAY-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCCOC[C@@H]2C)c(O)c1 ZINC000769457156 646270417 /nfs/dbraw/zinc/27/04/17/646270417.db2.gz NWDRINAASNFVBF-LBPRGKRZSA-N 1 0 265.353 2.402 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(O)c1 ZINC000769531542 646283578 /nfs/dbraw/zinc/28/35/78/646283578.db2.gz GSJCQVYCBQJAKV-MRXNPFEDSA-N 1 0 277.364 2.403 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000769710562 646304839 /nfs/dbraw/zinc/30/48/39/646304839.db2.gz NCEJNOWWMOYAQI-QWRGUYRKSA-N 1 0 251.326 2.058 20 10 CECDRO CN(C)c1cc(F)c(C[N@H+](C)C[C@@H]2CCOC2)cc1F ZINC000862250688 646381316 /nfs/dbraw/zinc/38/13/16/646381316.db2.gz OIDUAFSZCPDUSX-NSHDSACASA-N 1 0 284.350 2.499 20 10 CECDRO CC[N@H+](CCCO)Cc1cc(F)c(N(C)C)cc1F ZINC000862249149 646382149 /nfs/dbraw/zinc/38/21/49/646382149.db2.gz XJEBHWAIBKHIFF-UHFFFAOYSA-N 1 0 272.339 2.235 20 10 CECDRO COC(=O)C1(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862331462 646401649 /nfs/dbraw/zinc/40/16/49/646401649.db2.gz KZFQIRSWDIIOPZ-UHFFFAOYSA-N 1 0 298.333 2.074 20 10 CECDRO CN(C)c1cc(F)c(C[N@H+](C)CC2(O)CCC2)cc1F ZINC000862327157 646401861 /nfs/dbraw/zinc/40/18/61/646401861.db2.gz ZQRDRFOISYROTC-UHFFFAOYSA-N 1 0 284.350 2.378 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2cccc(OCC)c2O)CC1 ZINC000770666355 646423559 /nfs/dbraw/zinc/42/35/59/646423559.db2.gz ZHUKWFIXMFBXQW-UHFFFAOYSA-N 1 0 293.363 2.224 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2cc(C)ccc2O)CC1 ZINC000770666270 646423688 /nfs/dbraw/zinc/42/36/88/646423688.db2.gz XPLVDRRJMLYMID-UHFFFAOYSA-N 1 0 263.337 2.134 20 10 CECDRO Cc1cccc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c1O ZINC000862432609 646457908 /nfs/dbraw/zinc/45/79/08/646457908.db2.gz KHTXILJTEBSZMS-KRWDZBQOSA-N 1 0 287.359 2.404 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CC=C(C(=O)OC)C2)c(O)c1 ZINC000862465761 646470192 /nfs/dbraw/zinc/47/01/92/646470192.db2.gz SXDSMKHBXDMJDM-CYBMUJFWSA-N 1 0 291.347 2.142 20 10 CECDRO Cc1ccc(O)c(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000862761004 646559854 /nfs/dbraw/zinc/55/98/54/646559854.db2.gz ZQYZNTVLBXZWGC-STQMWFEESA-N 1 0 276.380 2.190 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)CC(=O)N2CCCC2)cc1 ZINC000773734339 646771139 /nfs/dbraw/zinc/77/11/39/646771139.db2.gz QOVWBOQYSBQFAH-UHFFFAOYSA-N 1 0 289.423 2.197 20 10 CECDRO COCc1ccc(C[NH2+]CCc2ccc(N)cc2)o1 ZINC000863642148 646775545 /nfs/dbraw/zinc/77/55/45/646775545.db2.gz SQEVLVUWDWXCNS-UHFFFAOYSA-N 1 0 260.337 2.341 20 10 CECDRO CCOc1ccc(C[NH2+][C@@]2(CCOC)CCOC2)c(O)c1 ZINC000775035357 646917640 /nfs/dbraw/zinc/91/76/40/646917640.db2.gz YYCFALIWQSEUQK-INIZCTEOSA-N 1 0 295.379 2.076 20 10 CECDRO C[C@@H]([NH2+]Cc1ccno1)c1ccc(N2CCOCC2)cc1 ZINC000775258111 646935620 /nfs/dbraw/zinc/93/56/20/646935620.db2.gz QNDZQHWLDHMLJY-CYBMUJFWSA-N 1 0 287.363 2.362 20 10 CECDRO COC(=O)/C(C)=C/C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000775372005 646946399 /nfs/dbraw/zinc/94/63/99/646946399.db2.gz XMJYWHWPYPVDAF-PFEDMVJOSA-N 1 0 279.336 2.171 20 10 CECDRO CC[C@H]([NH2+][C@H](C)COCCOC)c1ccccc1O ZINC000775527218 646962824 /nfs/dbraw/zinc/96/28/24/646962824.db2.gz PCOVTIFEBZXSBY-OCCSQVGLSA-N 1 0 267.369 2.484 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)Cc2cccn2C)c1 ZINC000775711984 646983258 /nfs/dbraw/zinc/98/32/58/646983258.db2.gz CPRKUDNZSZEQHU-UHFFFAOYSA-N 1 0 260.337 2.371 20 10 CECDRO COc1cc(O)c(C[NH2+]CC2(C)CC2)cc1OC ZINC000776232395 647040376 /nfs/dbraw/zinc/04/03/76/647040376.db2.gz XEIPYERULMXVKD-UHFFFAOYSA-N 1 0 251.326 2.299 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](OC)C2)c1 ZINC000776252575 647042496 /nfs/dbraw/zinc/04/24/96/647042496.db2.gz GZEXEZBVEQXRJS-CHWSQXEVSA-N 1 0 265.353 2.448 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@@H]2OC)c1 ZINC000776256926 647042971 /nfs/dbraw/zinc/04/29/71/647042971.db2.gz SVRJSFMMSRENEG-ABAIWWIYSA-N 1 0 265.353 2.306 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)c(O)c1 ZINC000777223013 647121634 /nfs/dbraw/zinc/12/16/34/647121634.db2.gz VNSHLJCBKICETE-INIZCTEOSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCn3ccnc3C2)cc1C ZINC000778187975 647206486 /nfs/dbraw/zinc/20/64/86/647206486.db2.gz OXYVPCSNFBAWFB-CQSZACIVSA-N 1 0 271.364 2.310 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCn3ccnc3C2)c1 ZINC000778190569 647207884 /nfs/dbraw/zinc/20/78/84/647207884.db2.gz ZXQOJYIXJYRJNF-CYBMUJFWSA-N 1 0 287.363 2.092 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)c(O)c1 ZINC000778216196 647211100 /nfs/dbraw/zinc/21/11/00/647211100.db2.gz KDVLONQKLHPRFG-WFASDCNBSA-N 1 0 279.380 2.432 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccccc1O ZINC000779060677 647284995 /nfs/dbraw/zinc/28/49/95/647284995.db2.gz HXZMTXTWBQHKPI-VXGBXAGGSA-N 1 0 257.337 2.254 20 10 CECDRO Cc1cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)ccc1N(C)C ZINC000779414351 647320969 /nfs/dbraw/zinc/32/09/69/647320969.db2.gz XTCDKBXTMKXRIO-CABCVRRESA-N 1 0 262.397 2.310 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c(O)c1 ZINC000865690685 647424912 /nfs/dbraw/zinc/42/49/12/647424912.db2.gz LNJFEAYISYEESK-MISXGVKJSA-N 1 0 265.353 2.446 20 10 CECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1c(O)cccc1OC ZINC000865871333 647513481 /nfs/dbraw/zinc/51/34/81/647513481.db2.gz BPVSKBJSCQSOGO-QWRGUYRKSA-N 1 0 253.342 2.040 20 10 CECDRO CCOC(=O)C1(C)CC([NH2+]Cc2ccccc2O)C1 ZINC000866252931 647697466 /nfs/dbraw/zinc/69/74/66/647697466.db2.gz BAAXITVBECNCGP-UHFFFAOYSA-N 1 0 263.337 2.214 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C2CN(c3ccncn3)C2)c(O)c1C ZINC000866496777 647806178 /nfs/dbraw/zinc/80/61/78/647806178.db2.gz 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/nfs/dbraw/zinc/42/08/39/648420839.db2.gz JILOWLYIWHWMBC-YGRLFVJLSA-N 1 0 295.404 2.145 20 10 CECDRO CCOc1cccc(C[N@H+](C)Cc2cnn(C)c2C)c1O ZINC000790938800 648462915 /nfs/dbraw/zinc/46/29/15/648462915.db2.gz VFZJJPJTGQIRSX-UHFFFAOYSA-N 1 0 289.379 2.465 20 10 CECDRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000792186044 648621665 /nfs/dbraw/zinc/62/16/65/648621665.db2.gz NTZVHJVEOOOOSR-CYBMUJFWSA-N 1 0 294.782 2.242 20 10 CECDRO C[C@H]1CSCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000792724738 648669470 /nfs/dbraw/zinc/66/94/70/648669470.db2.gz DCTGVPFECBYCFP-YGRLFVJLSA-N 1 0 295.404 2.003 20 10 CECDRO COc1c(O)c(C[NH+]2[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000793228727 648727003 /nfs/dbraw/zinc/72/70/03/648727003.db2.gz PVJZSUQLSUYWDO-IUCAKERBSA-N 1 0 266.297 2.292 20 10 CECDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000794705802 648905102 /nfs/dbraw/zinc/90/51/02/648905102.db2.gz QYLYMBVQLPHUQJ-WMLDXEAASA-N 1 0 291.391 2.389 20 10 CECDRO 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CC[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccccc1O ZINC000694591868 803571760 /nfs/dbraw/zinc/57/17/60/803571760.db2.gz WUQZTIWNNVJSTO-TZMCWYRMSA-N 1 0 297.420 2.400 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001141156077 803758568 /nfs/dbraw/zinc/75/85/68/803758568.db2.gz DTYRSXAKUVHVPP-ABAIWWIYSA-N 1 0 263.337 2.099 20 10 CECDRO CC(C)O[C@]1(C[NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000722356431 804352906 /nfs/dbraw/zinc/35/29/06/804352906.db2.gz PMADWBHXEQLVFB-HNNXBMFYSA-N 1 0 283.343 2.205 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCCN(C)C1=O ZINC001118797353 815045901 /nfs/dbraw/zinc/04/59/01/815045901.db2.gz HMSVCAJKRZYEDZ-FRRDWIJNSA-N 1 0 288.391 2.459 20 10 CECDRO Oc1cc(O)c(CN2CC[NH+](C3CC3)CC2)cc1Cl ZINC001232258981 807237154 /nfs/dbraw/zinc/23/71/54/807237154.db2.gz GHXXMYMEUUDSHL-UHFFFAOYSA-N 1 0 282.771 2.031 20 10 CECDRO CC(=O)c1cc(O)c(O)cc1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001234474837 807671576 /nfs/dbraw/zinc/67/15/76/807671576.db2.gz XRKLLOMYDIXDBR-NSHDSACASA-N 1 0 279.336 2.162 20 10 CECDRO c1cc(C[NH2+]CCCOC[C@H]2CCCO2)cc2c1OCC2 ZINC000037362874 815147352 /nfs/dbraw/zinc/14/73/52/815147352.db2.gz SEVKHWHJCPTNQT-MRXNPFEDSA-N 1 0 291.391 2.297 20 10 CECDRO CC[C@](C)(CO)[NH2+]Cc1ccc(Br)cc1O ZINC000701016557 809379848 /nfs/dbraw/zinc/37/98/48/809379848.db2.gz WISMKHWSZKGNOG-GFCCVEGCSA-N 1 0 288.185 2.405 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCC[C@H](C)O2)c1O ZINC000701567179 809442488 /nfs/dbraw/zinc/44/24/88/809442488.db2.gz HNGBHNYMFBPJRZ-WCQYABFASA-N 1 0 265.353 2.448 20 10 CECDRO C[C@H]([NH2+]CCC1CC(O)C1)c1cc(F)ccc1O ZINC000702450875 809558425 /nfs/dbraw/zinc/55/84/25/809558425.db2.gz MXEITNDFDSWTRP-BMQDGWLCSA-N 1 0 253.317 2.343 20 10 CECDRO CN(C)c1ccc(C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206157427 815313688 /nfs/dbraw/zinc/31/36/88/815313688.db2.gz YPFCEPUCAVHXBT-CABCVRRESA-N 1 0 265.376 2.014 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccccc1O ZINC000708660845 809933004 /nfs/dbraw/zinc/93/30/04/809933004.db2.gz 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CAQWVVBXIFRHGS-LBPRGKRZSA-N 1 0 288.185 2.261 20 10 CECDRO Nc1[nH]c2ccc(NCc3ccc(O)c(O)c3)cc2[nH+]1 ZINC001169994960 811873137 /nfs/dbraw/zinc/87/31/37/811873137.db2.gz NGEIDCYMSCQXMH-UHFFFAOYSA-N 1 0 270.292 2.168 20 10 CECDRO CCc1cccc(C[NH2+]CCC(=O)N[C@H](C)CC)c1O ZINC000691464608 811896401 /nfs/dbraw/zinc/89/64/01/811896401.db2.gz IYWWMBTZWWSWPY-GFCCVEGCSA-N 1 0 278.396 2.349 20 10 CECDRO CCc1cccc(C[NH2+]C[C@](C)(O)CSC)c1O ZINC000691499941 811959314 /nfs/dbraw/zinc/95/93/14/811959314.db2.gz KTWGZRPDURBLPO-AWEZNQCLSA-N 1 0 269.410 2.158 20 10 CECDRO [NH3+]C1(c2ccc(NCC(=O)c3ccc(O)c(O)c3)cc2)CC1 ZINC001170314733 812386072 /nfs/dbraw/zinc/38/60/72/812386072.db2.gz GPYSEARIBHMENS-UHFFFAOYSA-N 1 0 298.342 2.340 20 10 CECDRO C[C@@H]1CN(Cc2cccc(C(C)(C)C)c2O)C[C@H]1[NH3+] ZINC001206065481 812649477 /nfs/dbraw/zinc/64/94/77/812649477.db2.gz XSPKKMUVBDYTFE-BXUZGUMPSA-N 1 0 262.397 2.469 20 10 CECDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000383541102 813102580 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CN1CCCc2cc(C[NH+]3CC4(CC(O)C4)C3)ccc21 ZINC001138354499 815773870 /nfs/dbraw/zinc/77/38/70/815773870.db2.gz LTEZEOVMUPFSBG-UHFFFAOYSA-N 1 0 272.392 2.026 20 10 CECDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc2c(c1)CCCN2C ZINC001138358952 815774782 /nfs/dbraw/zinc/77/47/82/815774782.db2.gz FFQBROZYQOUVET-IRXDYDNUSA-N 1 0 285.435 2.347 20 10 CECDRO CN1CCCc2cc(C[N@H+](C)Cc3cncnc3)ccc21 ZINC001138359647 815777136 /nfs/dbraw/zinc/77/71/36/815777136.db2.gz XKBONRAMFUGCIG-UHFFFAOYSA-N 1 0 282.391 2.491 20 10 CECDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055373 816178761 /nfs/dbraw/zinc/17/87/61/816178761.db2.gz TWONACYFFTUZAO-MNOVXSKESA-N 1 0 281.327 2.305 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001140055088 816179097 /nfs/dbraw/zinc/17/90/97/816179097.db2.gz HUWZSCJGGYLXCY-UHFFFAOYSA-N 1 0 282.334 2.149 20 10 CECDRO CCC(=O)NC1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140179123 816204135 /nfs/dbraw/zinc/20/41/35/816204135.db2.gz HDZUGPXBYXTRLJ-UHFFFAOYSA-N 1 0 290.407 2.500 20 10 CECDRO COC(=O)N1CCC[N@H+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140178186 816204238 /nfs/dbraw/zinc/20/42/38/816204238.db2.gz BXDGNNWFVUFKFS-UHFFFAOYSA-N 1 0 292.379 2.283 20 10 CECDRO CC[N@H+](CCN1CCOCC1)Cc1c(C)ccc(C)c1O ZINC001140182224 816205867 /nfs/dbraw/zinc/20/58/67/816205867.db2.gz LISFZFYLECKZKF-UHFFFAOYSA-N 1 0 292.423 2.163 20 10 CECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140182372 816206130 /nfs/dbraw/zinc/20/61/30/816206130.db2.gz RBEIRXDXCWUVEO-ZDUSSCGKSA-N 1 0 277.364 2.394 20 10 CECDRO OC[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140340367 816237392 /nfs/dbraw/zinc/23/73/92/816237392.db2.gz XTVSPCLGEDFNIW-JTQLQIEISA-N 1 0 255.745 2.392 20 10 CECDRO OC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140460998 816258969 /nfs/dbraw/zinc/25/89/69/816258969.db2.gz ATNNOLPXIHJRKJ-LBPRGKRZSA-N 1 0 255.745 2.392 20 10 CECDRO O=C1CCC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)N1 ZINC001140464616 816259865 /nfs/dbraw/zinc/25/98/65/816259865.db2.gz XFWDEFHCACIDRQ-UHFFFAOYSA-N 1 0 294.782 2.290 20 10 CECDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464319 816260167 /nfs/dbraw/zinc/26/01/67/816260167.db2.gz LERUJXHUYZBPRR-CYBMUJFWSA-N 1 0 282.771 2.146 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@](F)(CO)CC2)c1 ZINC001140619545 816304807 /nfs/dbraw/zinc/30/48/07/816304807.db2.gz GYDXNAUZOHJPDT-HNNXBMFYSA-N 1 0 267.344 2.387 20 10 CECDRO CCO[C@@H]1C[N@H+](Cc2cc(C)ccc2O)[C@@H]2CCCO[C@H]12 ZINC001140621467 816306387 /nfs/dbraw/zinc/30/63/87/816306387.db2.gz KVDDBHRBMLSNDX-OIISXLGYSA-N 1 0 291.391 2.469 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@]23CCOC3)c1O ZINC001140748365 816343404 /nfs/dbraw/zinc/34/34/04/816343404.db2.gz XFEPJLGQRJEJLW-HNNXBMFYSA-N 1 0 263.337 2.161 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c1O ZINC001140749243 816343429 /nfs/dbraw/zinc/34/34/29/816343429.db2.gz SSXBLTGYQVIOAG-HNNXBMFYSA-N 1 0 263.337 2.161 20 10 CECDRO CCOc1ccc(N2CCN(Cc3cnco3)CC2)cc1 ZINC001140933112 816415469 /nfs/dbraw/zinc/41/54/69/816415469.db2.gz LKTHCHSTSLYSPS-UHFFFAOYSA-N 1 0 287.363 2.396 20 10 CECDRO Cc1ccc(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c(O)c1 ZINC001140950815 816423415 /nfs/dbraw/zinc/42/34/15/816423415.db2.gz JPFUMRKCWCMLGW-UHFFFAOYSA-N 1 0 290.407 2.424 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c(O)c1 ZINC001140954509 816423668 /nfs/dbraw/zinc/42/36/68/816423668.db2.gz VGTYDDRXVFTOBV-CQSZACIVSA-N 1 0 285.347 2.144 20 10 CECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2O)CCS1 ZINC001140954748 816424075 /nfs/dbraw/zinc/42/40/75/816424075.db2.gz XTCCMXSOJHJUNP-AWEZNQCLSA-N 1 0 295.404 2.181 20 10 CECDRO Cc1ccc(C[NH+]2CCC(N3CC(F)C3)CC2)c(O)c1 ZINC001140951006 816424234 /nfs/dbraw/zinc/42/42/34/816424234.db2.gz STQAYZZUUVYAOB-UHFFFAOYSA-N 1 0 278.371 2.319 20 10 CECDRO CN1CCOc2cc(C[N@H+]3[C@@H]4CC[C@H]3CC(=O)C4)ccc21 ZINC001141142016 816485447 /nfs/dbraw/zinc/48/54/47/816485447.db2.gz CSXHBXWXQOVNDX-OKILXGFUSA-N 1 0 286.375 2.211 20 10 CECDRO Oc1ccc(O)c(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001141156067 816490887 /nfs/dbraw/zinc/49/08/87/816490887.db2.gz PDVUZAJWKRKEDG-UHFFFAOYSA-N 1 0 284.359 2.420 20 10 CECDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)[C@@H]1C ZINC001141159875 816491306 /nfs/dbraw/zinc/49/13/06/816491306.db2.gz NCLAZACSRHFHIU-RISCZKNCSA-N 1 0 293.363 2.261 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H](C)CC(N)=O ZINC000228614717 816562500 /nfs/dbraw/zinc/56/25/00/816562500.db2.gz UMKMMOYKLBGMAC-MXWKQRLJSA-N 1 0 262.353 2.102 20 10 CECDRO C[C@]1(C[NH3+])CCC[N@H+](Cc2c([O-])cccc2F)CC1 ZINC001206305439 816580481 /nfs/dbraw/zinc/58/04/81/816580481.db2.gz ZLFQJHMVVJPZQB-HNNXBMFYSA-N 1 0 266.360 2.482 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000038013625 361981831 /nfs/dbraw/zinc/98/18/31/361981831.db2.gz YKRZPQFRVKIPIC-VXGBXAGGSA-N 1 0 294.395 2.356 20 10 CECDRO OCC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000127075612 365731654 /nfs/dbraw/zinc/73/16/54/365731654.db2.gz LERAQKBPUFMWHG-UHFFFAOYSA-N 1 0 255.745 2.250 20 10 CECDRO COCC[N@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000093005578 344211640 /nfs/dbraw/zinc/21/16/40/344211640.db2.gz AIKVHHZBEHMJDN-UHFFFAOYSA-N 1 0 292.423 2.118 20 10 CECDRO Cc1cnn(C2C[NH+](Cc3cc(C)ccc3O)C2)c1 ZINC000361255540 344808821 /nfs/dbraw/zinc/80/88/21/344808821.db2.gz QRNBDSZNPULCSE-UHFFFAOYSA-N 1 0 257.337 2.262 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C1CCSCC1)OCO2 ZINC000134413963 366319399 /nfs/dbraw/zinc/31/93/99/366319399.db2.gz WXTHKCBVJBEGQB-UHFFFAOYSA-N 1 0 267.350 2.106 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCN2CC)c1O ZINC000083594691 363781152 /nfs/dbraw/zinc/78/11/52/363781152.db2.gz VDUKZBOFCPNVEY-AWEZNQCLSA-N 1 0 278.396 2.365 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000019963697 361571844 /nfs/dbraw/zinc/57/18/44/361571844.db2.gz CMZGXSDLXSDVGU-JQWIXIFHSA-N 1 0 251.326 2.230 20 10 CECDRO COc1cccc(C[NH2+]CC2(O)CCCCC2)c1O ZINC000112204814 364778489 /nfs/dbraw/zinc/77/84/89/364778489.db2.gz UPIIIUHRGFPHAH-UHFFFAOYSA-N 1 0 265.353 2.186 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000114505785 364951550 /nfs/dbraw/zinc/95/15/50/364951550.db2.gz QXRVTOKNJUHYRG-UHFFFAOYSA-N 1 0 289.331 2.405 20 10 CECDRO C[N@@H+](Cc1cccc(F)c1[O-])CC1CC[NH+](C)CC1 ZINC000160232788 366985753 /nfs/dbraw/zinc/98/57/53/366985753.db2.gz PGXPYDSHOYLELC-UHFFFAOYSA-N 1 0 266.360 2.305 20 10 CECDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180195649 368371992 /nfs/dbraw/zinc/37/19/92/368371992.db2.gz SBJIIRCDTUOPPZ-GFCCVEGCSA-N 1 0 267.300 2.059 20 10 CECDRO COCC[NH+]1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000179641644 368347541 /nfs/dbraw/zinc/34/75/41/368347541.db2.gz UQTWXSTUSHQQBF-UHFFFAOYSA-N 1 0 298.814 2.118 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000180417417 368380334 /nfs/dbraw/zinc/38/03/34/368380334.db2.gz OFTPRJIVACMYIO-UHFFFAOYSA-N 1 0 263.337 2.156 20 10 CECDRO C[C@@H]([NH2+]CCCC[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273463077 296121554 /nfs/dbraw/zinc/12/15/54/296121554.db2.gz DFUILNUVVQYSFO-LLVKDONJSA-N 1 0 281.356 2.293 20 10 CECDRO CC[C@](C)(CCO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000182626630 368572780 /nfs/dbraw/zinc/57/27/80/368572780.db2.gz OJNODSQHACWUPK-OAHLLOKOSA-N 1 0 283.368 2.050 20 10 CECDRO Cc1cc(Cl)cc(CN2CCO[C@@]3(CCOC3)C2)c1O ZINC000187536047 369174142 /nfs/dbraw/zinc/17/41/42/369174142.db2.gz XWDKPWYKKCEYHZ-HNNXBMFYSA-N 1 0 297.782 2.345 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C[C@@H]1C ZINC000188112047 369298574 /nfs/dbraw/zinc/29/85/74/369298574.db2.gz BYWHPQACUYIVIU-FZMZJTMJSA-N 1 0 293.363 2.032 20 10 CECDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cccc(C)c2O)C1(C)C ZINC000188908053 369427484 /nfs/dbraw/zinc/42/74/84/369427484.db2.gz VREXSYRLETYNSF-RHSMWYFYSA-N 1 0 293.407 2.356 20 10 CECDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000189114544 369460811 /nfs/dbraw/zinc/46/08/11/369460811.db2.gz UMJTUVBNOWDGMA-UONOGXRCSA-N 1 0 278.396 2.036 20 10 CECDRO CCCN1CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1=O ZINC000189214083 369476301 /nfs/dbraw/zinc/47/63/01/369476301.db2.gz OZDMOZYFYPDTNP-UHFFFAOYSA-N 1 0 290.407 2.453 20 10 CECDRO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(F)ccc1O ZINC000191674306 369732476 /nfs/dbraw/zinc/73/24/76/369732476.db2.gz MHPRNXJMKIWPBL-RIEGTJTDSA-N 1 0 293.338 2.305 20 10 CECDRO CN1CCc2cc(C[NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)ccc21 ZINC000250114732 371377858 /nfs/dbraw/zinc/37/78/58/371377858.db2.gz UGTKRYDGRZNCDX-ZMSDIMECSA-N 1 0 272.392 2.336 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000269252607 372396478 /nfs/dbraw/zinc/39/64/78/372396478.db2.gz PZJLBNQUWMCJNF-QGZVFWFLSA-N 1 0 289.423 2.149 20 10 CECDRO CCC1(O)CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000271176800 373162980 /nfs/dbraw/zinc/16/29/80/373162980.db2.gz GGJAGOMUVJRBSC-UHFFFAOYSA-N 1 0 262.397 2.490 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1F ZINC000271252676 373183987 /nfs/dbraw/zinc/18/39/87/373183987.db2.gz ITKJYTFDRWAHDH-XJKSGUPXSA-N 1 0 280.387 2.485 20 10 CECDRO CC[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC000271412546 373190391 /nfs/dbraw/zinc/19/03/91/373190391.db2.gz XXQROTWGFYMGEH-ZANVPECISA-N 1 0 255.745 2.248 20 10 CECDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccccc1O)CC2 ZINC000271460281 373192618 /nfs/dbraw/zinc/19/26/18/373192618.db2.gz XEHLABOXSYVVPS-CVEARBPZSA-N 1 0 291.391 2.144 20 10 CECDRO Cc1cccc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1O ZINC000271760712 373200587 /nfs/dbraw/zinc/20/05/87/373200587.db2.gz YMGKUWYHXGYVCX-UHFFFAOYSA-N 1 0 290.407 2.437 20 10 CECDRO CC(C)N1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CC1=O ZINC000271840753 373203421 /nfs/dbraw/zinc/20/34/21/373203421.db2.gz QRGNKOVVMPWSDO-JTQLQIEISA-N 1 0 282.771 2.145 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000272242699 373379689 /nfs/dbraw/zinc/37/96/89/373379689.db2.gz AWDAFGNSUGVBEV-LBPRGKRZSA-N 1 0 261.300 2.422 20 10 CECDRO CC(=O)NC1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000272243885 373382412 /nfs/dbraw/zinc/38/24/12/373382412.db2.gz AYOWRIDMZPOYKO-UHFFFAOYSA-N 1 0 280.343 2.068 20 10 CECDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000272371821 373451466 /nfs/dbraw/zinc/45/14/66/373451466.db2.gz BVHUDIDPRCPUBB-UHFFFAOYSA-N 1 0 282.359 2.181 20 10 CECDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1O)OC ZINC000273392632 373755606 /nfs/dbraw/zinc/75/56/06/373755606.db2.gz DVWMDEMKMATAON-CHWSQXEVSA-N 1 0 267.369 2.321 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2cc(Cl)ccc2O)n1 ZINC000273499059 373760255 /nfs/dbraw/zinc/76/02/55/373760255.db2.gz YKGORZBAHYYAPQ-QMMMGPOBSA-N 1 0 280.759 2.365 20 10 CECDRO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1O ZINC000273536954 373762108 /nfs/dbraw/zinc/76/21/08/373762108.db2.gz XOEKHWIGISUDCH-RNCFNFMXSA-N 1 0 295.770 2.163 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c(O)c1 ZINC000273529600 373762870 /nfs/dbraw/zinc/76/28/70/373762870.db2.gz WANXKJKSXCRVFW-OLZOCXBDSA-N 1 0 276.380 2.361 20 10 CECDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273567929 373765348 /nfs/dbraw/zinc/76/53/48/373765348.db2.gz JYPVYINEVGVRGN-LSDHHAIUSA-N 1 0 292.423 2.380 20 10 CECDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000273604693 373766929 /nfs/dbraw/zinc/76/69/29/373766929.db2.gz SVOUTIAQPNFXPD-UONOGXRCSA-N 1 0 278.396 2.072 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCNC(=O)C(C)(C)C)c1 ZINC000273591000 373767195 /nfs/dbraw/zinc/76/71/95/373767195.db2.gz PCVXIRXDQLJHAF-LLVKDONJSA-N 1 0 294.395 2.214 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1O ZINC000371433900 373879270 /nfs/dbraw/zinc/87/92/70/373879270.db2.gz YZYGVCUKROMRJB-CYBMUJFWSA-N 1 0 272.352 2.198 20 10 CECDRO COCCC[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374324961 374541907 /nfs/dbraw/zinc/54/19/07/374541907.db2.gz NSLVUBYIHPPLLP-UHFFFAOYSA-N 1 0 260.381 2.488 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000374546553 374596057 /nfs/dbraw/zinc/59/60/57/374596057.db2.gz VTJLFMSFOXDZCQ-LBPRGKRZSA-N 1 0 277.755 2.416 20 10 CECDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC000374678424 374626814 /nfs/dbraw/zinc/62/68/14/374626814.db2.gz KFDNKOJGIMEFCV-LRDDRELGSA-N 1 0 293.338 2.306 20 10 CECDRO COc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1C ZINC000279841059 375008152 /nfs/dbraw/zinc/00/81/52/375008152.db2.gz QXZMBRNYAWCCQD-UHFFFAOYSA-N 1 0 297.420 2.061 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000281113785 375355766 /nfs/dbraw/zinc/35/57/66/375355766.db2.gz BNDDLWOFBFTNRH-GFCCVEGCSA-N 1 0 279.336 2.122 20 10 CECDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000285216165 375836404 /nfs/dbraw/zinc/83/64/04/375836404.db2.gz RMQJKMISFOPILS-AWEZNQCLSA-N 1 0 276.380 2.273 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000285089198 375836530 /nfs/dbraw/zinc/83/65/30/375836530.db2.gz JXEMMPSXEVCGNX-LBPRGKRZSA-N 1 0 278.396 2.432 20 10 CECDRO CC[C@H]([NH2+][C@H](C)C[S@@](C)=O)c1ccc(F)cc1[O-] ZINC000286272468 375893986 /nfs/dbraw/zinc/89/39/86/375893986.db2.gz VOYPFZPDVGEYFN-RJVCPDIVSA-N 1 0 273.373 2.339 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)cc1 ZINC000288644682 376380339 /nfs/dbraw/zinc/38/03/39/376380339.db2.gz UQTXRLBTSWFMGR-FUHWJXTLSA-N 1 0 298.386 2.337 20 10 CECDRO CCOC1CC([N@H+](C)Cc2cc(OC)c(OC)cc2O)C1 ZINC000288713756 376381240 /nfs/dbraw/zinc/38/12/40/376381240.db2.gz VKWSNXKFQADKLH-UHFFFAOYSA-N 1 0 295.379 2.409 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)CCn2cccn2)c1O ZINC000289186396 376389196 /nfs/dbraw/zinc/38/91/96/376389196.db2.gz BASLMYWVIYMHRM-LBPRGKRZSA-N 1 0 275.352 2.166 20 10 CECDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccccc4O)[C@H]1[C@H]3C2 ZINC000289752878 376482880 /nfs/dbraw/zinc/48/28/80/376482880.db2.gz QRQGVONXDJKCSF-YOPIWALVSA-N 1 0 259.349 2.247 20 10 CECDRO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000293737595 377731724 /nfs/dbraw/zinc/73/17/24/377731724.db2.gz VMPDPRQIFXLZRS-BETUJISGSA-N 1 0 278.396 2.315 20 10 CECDRO Cc1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)ccc1N(C)C ZINC000294672546 378006843 /nfs/dbraw/zinc/00/68/43/378006843.db2.gz RZFNNIQQYIBOKN-KRWDZBQOSA-N 1 0 290.407 2.052 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@H]2CO)ccc1N(C)C ZINC000294757045 378017518 /nfs/dbraw/zinc/01/75/18/378017518.db2.gz YBTGOTVDDQRGPD-BLLLJJGKSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(C[N@H+](C)C2(CO)CCOCC2)ccc1N(C)C ZINC000294601422 377999987 /nfs/dbraw/zinc/99/99/87/377999987.db2.gz NQHHCNXFECJEEY-UHFFFAOYSA-N 1 0 292.423 2.034 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)CCCCO)c1O ZINC000295128564 378043741 /nfs/dbraw/zinc/04/37/41/378043741.db2.gz XQUDDPORYWJYCK-NSHDSACASA-N 1 0 253.342 2.042 20 10 CECDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(C)ccc1O)C(C)C ZINC000295143053 378045003 /nfs/dbraw/zinc/04/50/03/378045003.db2.gz ZXDHOECMMXLGTN-HNNXBMFYSA-N 1 0 278.396 2.293 20 10 CECDRO COc1cccc(C[N@@H+]2CCN(C3CC3)C[C@@H](C)C2)c1O ZINC000295946708 378364680 /nfs/dbraw/zinc/36/46/80/378364680.db2.gz GREMDJIAXPEVNQ-ZDUSSCGKSA-N 1 0 290.407 2.317 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(Br)cc1O ZINC000295906785 378350336 /nfs/dbraw/zinc/35/03/36/378350336.db2.gz IVBQDXXDKDEVHR-UJNFCWOMSA-N 1 0 286.169 2.329 20 10 CECDRO O=C1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C2(CCC2)N1 ZINC000296299588 378482911 /nfs/dbraw/zinc/48/29/11/378482911.db2.gz DOJKPZLYZKAWPW-JSGCOSHPSA-N 1 0 286.375 2.170 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H](O)C(F)F ZINC000296493883 378552133 /nfs/dbraw/zinc/55/21/33/378552133.db2.gz OTRCHNQAGJIQCN-KWBADKCTSA-N 1 0 271.307 2.374 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCNc1ccccn1)CC2 ZINC000297682907 378688603 /nfs/dbraw/zinc/68/86/03/378688603.db2.gz LPJQWQCMVDWMCI-CYBMUJFWSA-N 1 0 269.348 2.476 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C[S@](C)=O)c1 ZINC000186540096 262098259 /nfs/dbraw/zinc/09/82/59/262098259.db2.gz PTZOGMSTAVEPIP-RLFDGXBXSA-N 1 0 255.383 2.118 20 10 CECDRO C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccccc1O ZINC000186857686 262113244 /nfs/dbraw/zinc/11/32/44/262113244.db2.gz YWCDXBYJGQBXJI-GFCCVEGCSA-N 1 0 285.409 2.258 20 10 CECDRO C[C@H]([NH2+]CCCC(=O)N(C)C)c1cc(F)ccc1O ZINC000185194559 262302038 /nfs/dbraw/zinc/30/20/38/262302038.db2.gz HKWUJPVJGVOZDQ-JTQLQIEISA-N 1 0 268.332 2.050 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1O ZINC000217780678 394456279 /nfs/dbraw/zinc/45/62/79/394456279.db2.gz UHXZMTLMWQZGOA-QWRGUYRKSA-N 1 0 251.326 2.010 20 10 CECDRO COCCOC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000093339604 394664360 /nfs/dbraw/zinc/66/43/60/394664360.db2.gz JAVNUUZGWAVUDY-UHFFFAOYSA-N 1 0 295.379 2.028 20 10 CECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](C)O ZINC000093143171 394664664 /nfs/dbraw/zinc/66/46/64/394664664.db2.gz QQESLVBHSDQWEH-CYBMUJFWSA-N 1 0 250.386 2.344 20 10 CECDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000093481987 394667186 /nfs/dbraw/zinc/66/71/86/394667186.db2.gz GBKHNOHONYHFIY-XJKSGUPXSA-N 1 0 262.397 2.488 20 10 CECDRO COc1cccc(C[N@@H+]2CCOC[C@H]2C2CC2)c1O ZINC000093645668 394669193 /nfs/dbraw/zinc/66/91/93/394669193.db2.gz PWBVAJWELBKQIP-ZDUSSCGKSA-N 1 0 263.337 2.012 20 10 CECDRO Cc1ccccc1CNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000109770138 394734971 /nfs/dbraw/zinc/73/49/71/394734971.db2.gz FPWBGVFJEVLOFP-UHFFFAOYSA-N 1 0 298.386 2.449 20 10 CECDRO COCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000109761935 394735374 /nfs/dbraw/zinc/73/53/74/394735374.db2.gz DZDJCIBAIWPVCK-AWEZNQCLSA-N 1 0 265.353 2.020 20 10 CECDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000269057621 394709878 /nfs/dbraw/zinc/70/98/78/394709878.db2.gz WYMMUZPULDSVRQ-QWRGUYRKSA-N 1 0 254.349 2.405 20 10 CECDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)N(C)C1CC1 ZINC000105489313 394721989 /nfs/dbraw/zinc/72/19/89/394721989.db2.gz KQTTZKHFUCGFDX-ZDUSSCGKSA-N 1 0 261.413 2.325 20 10 CECDRO COC(=O)[C@H](C)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000120610875 394781578 /nfs/dbraw/zinc/78/15/78/394781578.db2.gz HBXGOIGTMBVYJI-SECBINFHSA-N 1 0 271.744 2.287 20 10 CECDRO CCSCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000281852989 394862527 /nfs/dbraw/zinc/86/25/27/394862527.db2.gz BJGIJNQJIMGWLD-UHFFFAOYSA-N 1 0 269.366 2.354 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c1O ZINC000124582745 394838858 /nfs/dbraw/zinc/83/88/58/394838858.db2.gz YYNXIVHMPBMDTK-OAHLLOKOSA-N 1 0 260.381 2.371 20 10 CECDRO COc1ccc(O)c(C[N@H+]2CC[C@H](OC)C[C@H]2C)c1 ZINC000282127237 394910712 /nfs/dbraw/zinc/91/07/12/394910712.db2.gz BDVRIPFMPWNPSO-RISCZKNCSA-N 1 0 265.353 2.400 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)c1ccccc1O ZINC000372933068 395050499 /nfs/dbraw/zinc/05/04/99/395050499.db2.gz YILLLNAQPXPUKV-RRFJBIMHSA-N 1 0 290.407 2.296 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCCO[C@H]3CCC[C@H]31)OCO2 ZINC000374256688 395077934 /nfs/dbraw/zinc/07/79/34/395077934.db2.gz WYUQPFROSRWUON-OCCSQVGLSA-N 1 0 291.347 2.264 20 10 CECDRO CC[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(N(C)C)cc1 ZINC000178213081 395162975 /nfs/dbraw/zinc/16/29/75/395162975.db2.gz YNSDVWKGHSVVIJ-INIZCTEOSA-N 1 0 289.423 2.320 20 10 CECDRO CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000177676258 395154483 /nfs/dbraw/zinc/15/44/83/395154483.db2.gz RHZVYSYXWARPKK-GFCCVEGCSA-N 1 0 264.369 2.079 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000178711411 395171951 /nfs/dbraw/zinc/17/19/51/395171951.db2.gz DZKXXLVHGJWZRR-UHFFFAOYSA-N 1 0 289.423 2.149 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)c1 ZINC000182436006 395242441 /nfs/dbraw/zinc/24/24/41/395242441.db2.gz ZYDGHQRSWPXDDU-RISCZKNCSA-N 1 0 292.379 2.061 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCSC2)c1O ZINC000182558205 395243520 /nfs/dbraw/zinc/24/35/20/395243520.db2.gz FPHRIKGDAIMGPM-CYBMUJFWSA-N 1 0 287.812 2.312 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1 ZINC000179464068 395193913 /nfs/dbraw/zinc/19/39/13/395193913.db2.gz ZKPKSOLIFBMLOS-INIZCTEOSA-N 1 0 285.395 2.181 20 10 CECDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccccc3O)C2)n1 ZINC000179562724 395195019 /nfs/dbraw/zinc/19/50/19/395195019.db2.gz CKZYPQDZSNANSD-ZDUSSCGKSA-N 1 0 273.336 2.463 20 10 CECDRO Cc1cccc(C[NH+]2CCN(c3ccccn3)CC2)c1O ZINC000183471258 395257988 /nfs/dbraw/zinc/25/79/88/395257988.db2.gz UTVIVUTUOXJKSS-UHFFFAOYSA-N 1 0 283.375 2.418 20 10 CECDRO OCCCC[NH2+]Cc1cc(Br)ccc1O ZINC000193253529 395404738 /nfs/dbraw/zinc/40/47/38/395404738.db2.gz HEIUGMRSUOZRNS-UHFFFAOYSA-N 1 0 274.158 2.017 20 10 CECDRO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000193439794 395408153 /nfs/dbraw/zinc/40/81/53/395408153.db2.gz NFULROIQMQAFPB-XJKSGUPXSA-N 1 0 262.397 2.488 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c1O ZINC000020122237 171002464 /nfs/dbraw/zinc/00/24/64/171002464.db2.gz JKYUSFLZHBGFFM-ZDUSSCGKSA-N 1 0 290.363 2.386 20 10 CECDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035259085 172091913 /nfs/dbraw/zinc/09/19/13/172091913.db2.gz KKVRTXUUDVVEJH-ZDUSSCGKSA-N 1 0 258.369 2.127 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@](C)(O)CCOC)cc1 ZINC000172069068 261067414 /nfs/dbraw/zinc/06/74/14/261067414.db2.gz RJOJJTTWWBUMIX-KRWDZBQOSA-N 1 0 294.439 2.410 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)CCOC)cc1 ZINC000172069063 261067484 /nfs/dbraw/zinc/06/74/84/261067484.db2.gz RJOJJTTWWBUMIX-QGZVFWFLSA-N 1 0 294.439 2.410 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccccc2O)C1 ZINC000156376905 261121611 /nfs/dbraw/zinc/12/16/11/261121611.db2.gz NQZLHCSBDXBHEU-TZMCWYRMSA-N 1 0 276.380 2.444 20 10 CECDRO CCCC[N@H+](CCO)Cc1cc(OCC)ccc1O ZINC000159104746 261177961 /nfs/dbraw/zinc/17/79/61/261177961.db2.gz UUHGGEFJCUFEPB-UHFFFAOYSA-N 1 0 267.369 2.385 20 10 CECDRO COc1cc(O)c(CN2CCO[C@@H](C)[C@@H]2C)cc1OC ZINC000160431920 261214260 /nfs/dbraw/zinc/21/42/60/261214260.db2.gz BCNOQCBPZBMSJE-QWRGUYRKSA-N 1 0 281.352 2.019 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCOC3(CCCC3)C1)OCO2 ZINC000164480634 261353161 /nfs/dbraw/zinc/35/31/61/261353161.db2.gz QTTAZABNXYDKKX-UHFFFAOYSA-N 1 0 291.347 2.266 20 10 CECDRO COCCN(C)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185314965 262049814 /nfs/dbraw/zinc/04/98/14/262049814.db2.gz YEZTYMBLHPDLHZ-LLVKDONJSA-N 1 0 286.803 2.274 20 10 CECDRO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc2c(cc1O)CCCC2 ZINC000186220804 262084492 /nfs/dbraw/zinc/08/44/92/262084492.db2.gz DWSSRHOOAYMWRH-NSHDSACASA-N 1 0 290.407 2.433 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000186798226 262110637 /nfs/dbraw/zinc/11/06/37/262110637.db2.gz LDEBEVOUTOHZAM-WDBKCZKBSA-N 1 0 265.353 2.355 20 10 CECDRO COc1cc(O)c(C[N@H+]2CC[C@H](OC)C[C@H]2C)cc1OC ZINC000282364312 263076222 /nfs/dbraw/zinc/07/62/22/263076222.db2.gz PVYMTIWKKMZDDS-YPMHNXCESA-N 1 0 295.379 2.409 20 10 CECDRO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cccc(C)c2O)C1 ZINC000293951903 264990953 /nfs/dbraw/zinc/99/09/53/264990953.db2.gz PCDGVZLJITVOOH-ZDUSSCGKSA-N 1 0 281.327 2.034 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H]3CC[C@@H](O)C3)CC2)cc1 ZINC000367685604 267108622 /nfs/dbraw/zinc/10/86/22/267108622.db2.gz HOHPIGKEWRTGFU-GOEBONIOSA-N 1 0 290.407 2.167 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1F ZINC000369676695 267260113 /nfs/dbraw/zinc/26/01/13/267260113.db2.gz RRFLYMWBFQQLFG-MRXNPFEDSA-N 1 0 278.371 2.239 20 10 CECDRO COC(=O)[C@H](C)C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000370736264 267343121 /nfs/dbraw/zinc/34/31/21/267343121.db2.gz BZGNFRHPIOJUHC-CYBMUJFWSA-N 1 0 288.391 2.261 20 10 CECDRO Oc1ccccc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000374917370 267821941 /nfs/dbraw/zinc/82/19/41/267821941.db2.gz YBBQKHLZYMPJLS-CQSZACIVSA-N 1 0 291.391 2.410 20 10 CECDRO NC(=O)C[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000377193060 268054839 /nfs/dbraw/zinc/05/48/39/268054839.db2.gz OLQPKPJLHHQPBI-GFCCVEGCSA-N 1 0 284.359 2.243 20 10 CECDRO COc1cccc(C[N@H+]2CCC[C@H](OC)CC2)c1O ZINC000377243200 268059154 /nfs/dbraw/zinc/05/91/54/268059154.db2.gz ISCLNEFHDCXKMV-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1 ZINC000227975323 276341435 /nfs/dbraw/zinc/34/14/35/276341435.db2.gz YQLWHSWYEOUZFQ-RHSMWYFYSA-N 1 0 292.423 2.162 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)[C@@H](O)C(F)F ZINC000296551405 276640549 /nfs/dbraw/zinc/64/05/49/276640549.db2.gz RNSDKRSQFNXRKB-UBHAPETDSA-N 1 0 259.296 2.447 20 10 CECDRO COC[C@H](CCO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273587001 293101776 /nfs/dbraw/zinc/10/17/76/293101776.db2.gz OAXGDCVGZICDDC-OLZOCXBDSA-N 1 0 267.369 2.057 20 10 CECDRO CC(C)N1C[C@H]([NH2+][C@H](C)c2ccccc2O)CC1=O ZINC000272910661 328201511 /nfs/dbraw/zinc/20/15/11/328201511.db2.gz WNMXMAYFZNAJBN-VXGBXAGGSA-N 1 0 262.353 2.052 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[S@@](=O)CC[C@H]2C)cc1C ZINC000377305710 329010733 /nfs/dbraw/zinc/01/07/33/329010733.db2.gz MPOZBEMUNUWVFF-YJYMSZOUSA-N 1 0 281.421 2.352 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)C(C)C)c1O ZINC000169087512 329063666 /nfs/dbraw/zinc/06/36/66/329063666.db2.gz RWMWYSBMHKHQRO-NSHDSACASA-N 1 0 273.760 2.161 20 10 CECDRO COc1ccc(N2CCC[N@@H+](C[C@@H](C)OC)CC2)cc1 ZINC000182076718 329239394 /nfs/dbraw/zinc/23/93/94/329239394.db2.gz IVORZGSDZICGAR-CQSZACIVSA-N 1 0 278.396 2.242 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1O ZINC000190335054 329394991 /nfs/dbraw/zinc/39/49/91/329394991.db2.gz KXVLDTDJDGXJJF-BZPMIXESSA-N 1 0 263.337 2.058 20 10 CECDRO COCC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000081708028 330352082 /nfs/dbraw/zinc/35/20/82/330352082.db2.gz NBIWOEVZHJPEJJ-MNOVXSKESA-N 1 0 253.342 2.476 20 10 CECDRO COC[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)OC ZINC000227712563 333287434 /nfs/dbraw/zinc/28/74/34/333287434.db2.gz DHZMEYPZPCAQKT-DOMZBBRYSA-N 1 0 266.385 2.065 20 10 CECDRO CCn1cnnc1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000230658865 333319819 /nfs/dbraw/zinc/31/98/19/333319819.db2.gz AFNPACMXWDRCHT-LLVKDONJSA-N 1 0 260.341 2.163 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1OC ZINC000529670090 333505127 /nfs/dbraw/zinc/50/51/27/333505127.db2.gz QZIPGNKCCZAXDU-BBKSZCTCSA-N 1 0 295.379 2.311 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)C2CCOCC2)c1O ZINC000134496338 334092045 /nfs/dbraw/zinc/09/20/45/334092045.db2.gz MWYJZXGRQQUYNO-LLVKDONJSA-N 1 0 265.353 2.306 20 10 CECDRO Oc1c(F)cccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252762847 334391073 /nfs/dbraw/zinc/39/10/73/334391073.db2.gz DVCAGIYYYGPJCU-ZDUSSCGKSA-N 1 0 264.344 2.201 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367608665 335930194 /nfs/dbraw/zinc/93/01/94/335930194.db2.gz ZFVMNHOUJWJHBM-CNDDSTCGSA-N 1 0 298.180 2.137 20 10 CECDRO CC(C)(C)[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000279792013 518980666 /nfs/dbraw/zinc/98/06/66/518980666.db2.gz OKDWTLREMRQNHL-OAHLLOKOSA-N 1 0 293.363 2.368 20 10 CECDRO CC(C)CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000120950794 519760241 /nfs/dbraw/zinc/76/02/41/519760241.db2.gz JFAFZSVWSKRSEA-CYBMUJFWSA-N 1 0 293.363 2.368 20 10 CECDRO CC[N@H+](CCC(=O)OC)Cc1ccc(N(C)C)c(F)c1 ZINC000130492941 520993050 /nfs/dbraw/zinc/99/30/50/520993050.db2.gz DPMJDAOPNOXDBT-UHFFFAOYSA-N 1 0 282.359 2.277 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CCN(C3CC3)CC2)c1 ZINC000127944689 521144927 /nfs/dbraw/zinc/14/49/27/521144927.db2.gz HEHJNDRCGQQEOY-UHFFFAOYSA-N 1 0 276.380 2.071 20 10 CECDRO CCOC1CC(O)(C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000277817923 521652533 /nfs/dbraw/zinc/65/25/33/521652533.db2.gz ZOVBGAQFOZAUFT-UHFFFAOYSA-N 1 0 285.771 2.065 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCN(CCOC)C1)c1ccccc1O ZINC000274931807 522757756 /nfs/dbraw/zinc/75/77/56/522757756.db2.gz RAHCNESVELSBJS-ZFWWWQNUSA-N 1 0 278.396 2.154 20 10 CECDRO CC[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(C)cc1O ZINC000280089960 522823645 /nfs/dbraw/zinc/82/36/45/522823645.db2.gz MIKTZQKBDTVYRH-CYBMUJFWSA-N 1 0 264.369 2.220 20 10 CECDRO COC(=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000275276511 522832565 /nfs/dbraw/zinc/83/25/65/522832565.db2.gz MJGLWTJXEPCHRU-UHFFFAOYSA-N 1 0 269.728 2.088 20 10 CECDRO CC[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(C)cc1O ZINC000280239243 522864959 /nfs/dbraw/zinc/86/49/59/522864959.db2.gz VWYHDBWPDXSFIW-ZBFHGGJFSA-N 1 0 289.379 2.208 20 10 CECDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000189114562 523443524 /nfs/dbraw/zinc/44/35/24/523443524.db2.gz UMJTUVBNOWDGMA-KBPBESRZSA-N 1 0 278.396 2.036 20 10 CECDRO CC[C@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)[NH+](C)C ZINC000271093305 523754655 /nfs/dbraw/zinc/75/46/55/523754655.db2.gz VAFIVISGSUQGBH-MRXNPFEDSA-N 1 0 291.439 2.441 20 10 CECDRO C[N@@H+]1CCC[C@]2(CCN(Cc3cc(F)ccc3O)C2)C1 ZINC000293518946 523858954 /nfs/dbraw/zinc/85/89/54/523858954.db2.gz AXINUHWDWIRQOJ-INIZCTEOSA-N 1 0 278.371 2.449 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292727202 523950522 /nfs/dbraw/zinc/95/05/22/523950522.db2.gz GHBBNBMZZMLALG-HNNXBMFYSA-N 1 0 290.407 2.446 20 10 CECDRO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000274896527 523987403 /nfs/dbraw/zinc/98/74/03/523987403.db2.gz GAQCAXXALIPWGW-TZMCWYRMSA-N 1 0 277.364 2.474 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)CC[S@@](C)=O)cc1C ZINC000125440989 524087873 /nfs/dbraw/zinc/08/78/73/524087873.db2.gz KJKXJVQYPUQIOI-XIKOKIGWSA-N 1 0 269.410 2.250 20 10 CECDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)c(C)n1-c1cccc(C)c1 ZINC000127220009 524153243 /nfs/dbraw/zinc/15/32/43/524153243.db2.gz UTXYHCDWZZENCO-HNNXBMFYSA-N 1 0 297.402 2.494 20 10 CECDRO C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000263678955 524279642 /nfs/dbraw/zinc/27/96/42/524279642.db2.gz HUVSDNYHEUCGRZ-AWEZNQCLSA-N 1 0 289.423 2.053 20 10 CECDRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000248333278 524284807 /nfs/dbraw/zinc/28/48/07/524284807.db2.gz FRBRFIUXISJAAR-KBPBESRZSA-N 1 0 289.423 2.099 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(C)COC2)c1 ZINC000094721663 524770091 /nfs/dbraw/zinc/77/00/91/524770091.db2.gz SZSJVBQYBMCELT-JTQLQIEISA-N 1 0 251.326 2.088 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](C)OC)c1 ZINC000290036110 524775435 /nfs/dbraw/zinc/77/54/35/524775435.db2.gz DEIUVXCYWVSRCT-OUAUKWLOSA-N 1 0 253.342 2.475 20 10 CECDRO C[C@@H](Cn1cccn1)[NH2+]Cc1c(O)cccc1Cl ZINC000083551842 524952790 /nfs/dbraw/zinc/95/27/90/524952790.db2.gz BROBCFILJVMNCF-JTQLQIEISA-N 1 0 265.744 2.420 20 10 CECDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000120712913 525037716 /nfs/dbraw/zinc/03/77/16/525037716.db2.gz RAEMXINPJMEBBT-DOMZBBRYSA-N 1 0 260.381 2.336 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2nccnc2C)cc1C ZINC000293141014 525324073 /nfs/dbraw/zinc/32/40/73/525324073.db2.gz UGDJQTIJTJBLFR-UHFFFAOYSA-N 1 0 271.364 2.440 20 10 CECDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000290364731 525338448 /nfs/dbraw/zinc/33/84/48/525338448.db2.gz HBPSFSKQBPYTCX-UKRRQHHQSA-N 1 0 262.397 2.473 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC000280574171 525345479 /nfs/dbraw/zinc/34/54/79/525345479.db2.gz WCOFVRXRIBNDPG-GRDNDAEWSA-N 1 0 291.391 2.469 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](C)[S@](=O)CC2)c1 ZINC000277395163 525347224 /nfs/dbraw/zinc/34/72/24/525347224.db2.gz GPEBYGUWFZVGNC-KPZWWZAWSA-N 1 0 267.394 2.044 20 10 CECDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cc(Cl)ccc1O ZINC000278909019 525425627 /nfs/dbraw/zinc/42/56/27/525425627.db2.gz VPAQOIHPWHZEPJ-IMSIIYSGSA-N 1 0 285.771 2.236 20 10 CECDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cc(Cl)ccc1O ZINC000278909020 525426347 /nfs/dbraw/zinc/42/63/47/525426347.db2.gz VPAQOIHPWHZEPJ-PKFCDNJMSA-N 1 0 285.771 2.236 20 10 CECDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000280471518 525821754 /nfs/dbraw/zinc/82/17/54/525821754.db2.gz NBTIDOCMEVDNAZ-YPMHNXCESA-N 1 0 293.363 2.246 20 10 CECDRO Cc1cc(Br)cc(C[N@@H+](C)[C@H](C)CO)c1O ZINC000289494194 526156418 /nfs/dbraw/zinc/15/64/18/526156418.db2.gz SBKLEVQOEOVIBR-SECBINFHSA-N 1 0 288.185 2.276 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000277475168 526373699 /nfs/dbraw/zinc/37/36/99/526373699.db2.gz KWXZLNHZESGJGL-OAHLLOKOSA-N 1 0 260.381 2.499 20 10 CECDRO CC[NH+](CC)CCCNC(=O)N1Cc2cccc(O)c2C1 ZINC000874986492 649879837 /nfs/dbraw/zinc/87/98/37/649879837.db2.gz FSJZBGBRXHIWKF-UHFFFAOYSA-N 1 0 291.395 2.149 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)C[NH+](C)C)cc1 ZINC000727298887 574450274 /nfs/dbraw/zinc/45/02/74/574450274.db2.gz DJGNBERAGAJWGR-UHFFFAOYSA-N 1 0 277.412 2.053 20 10 CECDRO CN(C)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000738143184 574487540 /nfs/dbraw/zinc/48/75/40/574487540.db2.gz JTOXUVUUOGHSDB-AWEZNQCLSA-N 1 0 285.391 2.466 20 10 CECDRO CCN(C)c1ccc(C[N@@H+](CC(N)=O)CC(C)C)cc1 ZINC000741753268 574996498 /nfs/dbraw/zinc/99/64/98/574996498.db2.gz RAXJNJBZXSMJPY-UHFFFAOYSA-N 1 0 277.412 2.086 20 10 CECDRO COc1ccc(N2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC000742369733 575017385 /nfs/dbraw/zinc/01/73/85/575017385.db2.gz PMPPIGZPXQWKPD-UHFFFAOYSA-N 1 0 290.407 2.433 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CCCSC1 ZINC000749111212 575205615 /nfs/dbraw/zinc/20/56/15/575205615.db2.gz YKVAQWLTWQAPEV-JTQLQIEISA-N 1 0 253.367 2.386 20 10 CECDRO C[C@H]([NH2+]Cc1ccccc1O)c1cccc(-c2nn[nH]n2)c1 ZINC000820438922 599396723 /nfs/dbraw/zinc/39/67/23/599396723.db2.gz ZRUAJIRWLDVQLA-NSHDSACASA-N 1 0 295.346 2.423 20 10 CECDRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1O ZINC000824616968 608457988 /nfs/dbraw/zinc/45/79/88/608457988.db2.gz BVUYCBAQIHOIDC-LLVKDONJSA-N 1 0 295.346 2.423 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCS[C@@H]2C)c1O ZINC000310564139 625597999 /nfs/dbraw/zinc/59/79/99/625597999.db2.gz KXXCQSUUOPJVNN-KOLCDFICSA-N 1 0 253.367 2.384 20 10 CECDRO CCOC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000044689076 623239604 /nfs/dbraw/zinc/23/96/04/623239604.db2.gz NOQXCZSXLZUKSU-MNOVXSKESA-N 1 0 253.342 2.476 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([NH3+])C2)c1O ZINC000050149790 623334053 /nfs/dbraw/zinc/33/40/53/623334053.db2.gz UJQQHOBUXXAGQK-LBPRGKRZSA-N 1 0 282.771 2.171 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CCC[NH2+]CC2)c1O ZINC000050153785 623334176 /nfs/dbraw/zinc/33/41/76/623334176.db2.gz YIVZMROQTNTYOI-UHFFFAOYSA-N 1 0 282.771 2.044 20 10 CECDRO CC(=O)c1cc(F)cc(CN(C)C[C@@H]2CCC[N@@H+]2C)c1O ZINC000092632640 623578340 /nfs/dbraw/zinc/57/83/40/623578340.db2.gz AVRLDMFSCDNYNR-AWEZNQCLSA-N 1 0 294.370 2.260 20 10 CECDRO CCN(CC)c1ccc(CN2CCC[NH2+]CC2)cc1 ZINC000077253402 623660210 /nfs/dbraw/zinc/66/02/10/623660210.db2.gz YDLKZAUNNJTKRU-UHFFFAOYSA-N 1 0 261.413 2.328 20 10 CECDRO COc1ccc(C[N@@H+]2CCCO[C@H](C)C2)c(O)c1OC ZINC000891918714 624097612 /nfs/dbraw/zinc/09/76/12/624097612.db2.gz YLJWAKIATDMPMZ-LLVKDONJSA-N 1 0 281.352 2.020 20 10 CECDRO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@H]1CCC[NH2+]C1 ZINC000891981515 624226376 /nfs/dbraw/zinc/22/63/76/624226376.db2.gz LNIDZYWCTMKIFJ-AGIUHOORSA-N 1 0 291.395 2.141 20 10 CECDRO COc1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c(O)c1OC ZINC000892217600 624427209 /nfs/dbraw/zinc/42/72/09/624427209.db2.gz ZEHPWSPRJDTERJ-DGCLKSJQSA-N 1 0 295.379 2.002 20 10 CECDRO C[C@H](NC(=O)NCC1([NH3+])CCCC1)c1ccccc1O ZINC000892248614 624451958 /nfs/dbraw/zinc/45/19/58/624451958.db2.gz HRBJTCWNTQYUCH-NSHDSACASA-N 1 0 277.368 2.024 20 10 CECDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000311741985 627695472 /nfs/dbraw/zinc/69/54/72/627695472.db2.gz BKIAIBGGXITVES-JQWIXIFHSA-N 1 0 271.332 2.233 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000280281391 627872289 /nfs/dbraw/zinc/87/22/89/627872289.db2.gz NKURAHOGBBGBRY-TZMCWYRMSA-N 1 0 277.364 2.250 20 10 CECDRO COc1cccc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1O ZINC000328461473 627885291 /nfs/dbraw/zinc/88/52/91/627885291.db2.gz HJVAWEQBRWPUDX-JKSUJKDBSA-N 1 0 298.386 2.328 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)CSC)c(O)c1OC ZINC000893004455 627936371 /nfs/dbraw/zinc/93/63/71/627936371.db2.gz HXCQFMMVMJUDOP-SECBINFHSA-N 1 0 271.382 2.251 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)COCC(C)C)c1 ZINC000182316562 628153741 /nfs/dbraw/zinc/15/37/41/628153741.db2.gz JPOQTBSSIIEDJQ-OLZOCXBDSA-N 1 0 297.395 2.085 20 10 CECDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(F)ccc1O ZINC000775983647 628353809 /nfs/dbraw/zinc/35/38/09/628353809.db2.gz CGMZNZVTZXQKLF-WDEREUQCSA-N 1 0 252.333 2.056 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cn(C)cn2)c1 ZINC000313261424 628585816 /nfs/dbraw/zinc/58/58/16/628585816.db2.gz AKKSTXTUCBUJSK-LBPRGKRZSA-N 1 0 259.353 2.327 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C(C)(C)[C@@H](C)O ZINC000840935899 628753922 /nfs/dbraw/zinc/75/39/22/628753922.db2.gz DLCRAOOIERDQGR-GFCCVEGCSA-N 1 0 250.386 2.310 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840936351 628754302 /nfs/dbraw/zinc/75/43/02/628754302.db2.gz CULPDQLQJKFYHF-OAHLLOKOSA-N 1 0 289.423 2.162 20 10 CECDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000258909182 628783367 /nfs/dbraw/zinc/78/33/67/628783367.db2.gz FRMRJVSLTMJUMW-HNNXBMFYSA-N 1 0 263.381 2.366 20 10 CECDRO COCC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000840955657 628877745 /nfs/dbraw/zinc/87/77/45/628877745.db2.gz UFTVUDLUOUQJDQ-JTQLQIEISA-N 1 0 298.339 2.071 20 10 CECDRO CCOc1cccc(C[NH2+]CCN(C)C(C)C)c1O ZINC000054110886 628880325 /nfs/dbraw/zinc/88/03/25/628880325.db2.gz HDKRUOAEEZDQNM-UHFFFAOYSA-N 1 0 266.385 2.221 20 10 CECDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000228562064 628923039 /nfs/dbraw/zinc/92/30/39/628923039.db2.gz TYRGURJMKIJYCI-RKDXNWHRSA-N 1 0 288.185 2.404 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000840964410 628925229 /nfs/dbraw/zinc/92/52/29/628925229.db2.gz RYHODUVXCVJQNV-WOPDTQHZSA-N 1 0 265.353 2.304 20 10 CECDRO CN(CC[NH+]1CCCC1)Cc1cc(F)ccc1O ZINC000234295544 628960441 /nfs/dbraw/zinc/96/04/41/628960441.db2.gz KQCJVEVLJPQLIT-UHFFFAOYSA-N 1 0 252.333 2.059 20 10 CECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccccc2O)C1 ZINC000840976924 628984919 /nfs/dbraw/zinc/98/49/19/628984919.db2.gz ZGBDEMFHRTUSBW-HNNXBMFYSA-N 1 0 263.337 2.167 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1O ZINC000840980356 628988890 /nfs/dbraw/zinc/98/88/90/628988890.db2.gz XHJROWMCZUYIHR-OCCSQVGLSA-N 1 0 279.380 2.384 20 10 CECDRO CC[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1[O-] ZINC000902486098 634702917 /nfs/dbraw/zinc/70/29/17/634702917.db2.gz PLAAZDZNYQSQEN-GAFUQQFSSA-N 1 0 252.333 2.309 20 10 CECDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893909109 629049309 /nfs/dbraw/zinc/04/93/09/629049309.db2.gz WPUTWJAJRCRNNC-INIZCTEOSA-N 1 0 295.379 2.146 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cnnn1C ZINC000924871473 629138602 /nfs/dbraw/zinc/13/86/02/629138602.db2.gz NKAKHWUWPQPZCJ-LBPRGKRZSA-N 1 0 285.395 2.048 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCN(C)C(C)C)c1O ZINC000894214321 629230601 /nfs/dbraw/zinc/23/06/01/629230601.db2.gz VFNNFIOACOMBAQ-UHFFFAOYSA-N 1 0 266.385 2.139 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2cccc(CO)c2)c1O ZINC000894237790 629244457 /nfs/dbraw/zinc/24/44/57/629244457.db2.gz IGMRYKRBBNLIIQ-UHFFFAOYSA-N 1 0 287.359 2.491 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H](OC)C(F)(F)F)c1O ZINC000894251822 629259964 /nfs/dbraw/zinc/25/99/64/629259964.db2.gz QFKLCBJNILMZKY-NSHDSACASA-N 1 0 293.285 2.376 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCOC2CCC2)c1O ZINC000894316544 629347270 /nfs/dbraw/zinc/34/72/70/629347270.db2.gz WFDHLMPMNJBIQU-UHFFFAOYSA-N 1 0 265.353 2.368 20 10 CECDRO COc1cc(C)cc(C[NH2+]C2(C)CCOCC2)c1O ZINC000894355820 629387359 /nfs/dbraw/zinc/38/73/59/629387359.db2.gz DEYSCYOXQLFVMN-UHFFFAOYSA-N 1 0 265.353 2.368 20 10 CECDRO COc1ccc(N2CC[C@H](Nc3nc(N)cc(C)[nH+]3)C2)cc1 ZINC000894484111 629487493 /nfs/dbraw/zinc/48/74/93/629487493.db2.gz CFBTYIRMFHTDPJ-LBPRGKRZSA-N 1 0 299.378 2.067 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H](CO)C(C)C)c1O ZINC000894761875 629629827 /nfs/dbraw/zinc/62/98/27/629629827.db2.gz RACZPHUJPQKAJA-ZDUSSCGKSA-N 1 0 267.369 2.063 20 10 CECDRO COC(=O)[C@H](C[NH2+]Cc1c(O)cccc1OC)CC(C)C ZINC000894791165 629637119 /nfs/dbraw/zinc/63/71/19/629637119.db2.gz POYPETAYOFZLDI-LBPRGKRZSA-N 1 0 295.379 2.326 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000894861502 629700368 /nfs/dbraw/zinc/70/03/68/629700368.db2.gz JJHVTWBPCQUIIA-KBPBESRZSA-N 1 0 274.408 2.488 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c1O ZINC000895014902 629798432 /nfs/dbraw/zinc/79/84/32/629798432.db2.gz PZYNTWUJECFFDU-OCCSQVGLSA-N 1 0 279.380 2.350 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2ccc(CO)cc2)c1O ZINC000895076302 629858108 /nfs/dbraw/zinc/85/81/08/629858108.db2.gz SYADVOCYWUEHFV-UHFFFAOYSA-N 1 0 287.359 2.491 20 10 CECDRO CC[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C(=O)OC ZINC000895136406 629946488 /nfs/dbraw/zinc/94/64/88/629946488.db2.gz UHQPVWPNALEDPL-CYBMUJFWSA-N 1 0 277.364 2.300 20 10 CECDRO C[C@H]([NH2+]CCCSc1nccs1)c1ccc(=O)[nH]n1 ZINC000796773090 629998376 /nfs/dbraw/zinc/99/83/76/629998376.db2.gz YYEPCGHLPBBIOU-VIFPVBQESA-N 1 0 296.421 2.472 20 10 CECDRO C[C@@H](CCNCc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC000895298167 630086772 /nfs/dbraw/zinc/08/67/72/630086772.db2.gz SMUDKILWIREEKE-LBPRGKRZSA-N 1 0 267.392 2.322 20 10 CECDRO CO[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)CC(C)C ZINC000841888307 630144558 /nfs/dbraw/zinc/14/45/58/630144558.db2.gz HRUYUDVYLUGDAX-LBPRGKRZSA-N 1 0 281.352 2.272 20 10 CECDRO CC[C@]1(O)CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000895444107 630187475 /nfs/dbraw/zinc/18/74/75/630187475.db2.gz PFUJVPGPVQGFCQ-INIZCTEOSA-N 1 0 279.380 2.446 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2CN3CCC2CC3)c1O ZINC000895453223 630194532 /nfs/dbraw/zinc/19/45/32/630194532.db2.gz GEAPQYUOWKWKTN-OAHLLOKOSA-N 1 0 290.407 2.235 20 10 CECDRO COC(=O)[C@@H]1[C@H](C[NH2+][C@H](C)c2ccccc2O)C1(F)F ZINC000895460067 630202341 /nfs/dbraw/zinc/20/23/41/630202341.db2.gz ITSWAJXVJGFKED-QRTLGDNMSA-N 1 0 285.290 2.097 20 10 CECDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000895470989 630204717 /nfs/dbraw/zinc/20/47/17/630204717.db2.gz GBSSVPSOYYNBHD-HDJSIYSDSA-N 1 0 275.348 2.053 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c1O ZINC000895477319 630213290 /nfs/dbraw/zinc/21/32/90/630213290.db2.gz HSTJYKZJMRRZER-ZDUSSCGKSA-N 1 0 279.380 2.302 20 10 CECDRO COc1cc(O)c(C[NH2+]CCc2ccns2)cc1OC ZINC000895529591 630235903 /nfs/dbraw/zinc/23/59/03/630235903.db2.gz QQXGAXXANPKLOU-UHFFFAOYSA-N 1 0 294.376 2.198 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC000895586028 630261487 /nfs/dbraw/zinc/26/14/87/630261487.db2.gz PPJHZHJGVHJFDZ-AWEZNQCLSA-N 1 0 275.348 2.234 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841894546 630420250 /nfs/dbraw/zinc/42/02/50/630420250.db2.gz QVNRTAKLZQQGPT-SECBINFHSA-N 1 0 290.741 2.475 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)C(C)(C)OC)c(O)c1OC ZINC000896607501 630611242 /nfs/dbraw/zinc/61/12/42/630611242.db2.gz FECZQLCVDNLJKZ-JTQLQIEISA-N 1 0 283.368 2.313 20 10 CECDRO [O-]c1cccc(F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000896636489 630620331 /nfs/dbraw/zinc/62/03/31/630620331.db2.gz DIWKUYKHRASDIA-NWDGAFQWSA-N 1 0 264.344 2.248 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(OC)n2)c1 ZINC000824548917 635449358 /nfs/dbraw/zinc/44/93/58/635449358.db2.gz QGXUGEHKLWWHLA-JTQLQIEISA-N 1 0 289.335 2.050 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000896921521 630810432 /nfs/dbraw/zinc/81/04/32/630810432.db2.gz ROVZLPPOXIEHMH-CQSZACIVSA-N 1 0 295.354 2.349 20 10 CECDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000840826648 630813622 /nfs/dbraw/zinc/81/36/22/630813622.db2.gz RDOSLZQSGANYEM-XQAQDONZSA-N 1 0 291.391 2.335 20 10 CECDRO Cc1ccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c(O)c1 ZINC000897010210 630881015 /nfs/dbraw/zinc/88/10/15/630881015.db2.gz IHLWOUQEABGVAK-UHFFFAOYSA-N 1 0 290.363 2.165 20 10 CECDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(F)cn1 ZINC000799307627 631006883 /nfs/dbraw/zinc/00/68/83/631006883.db2.gz NFIAZPKVVFZMQT-OAHLLOKOSA-N 1 0 276.311 2.092 20 10 CECDRO COC(=O)CC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000799315105 631007824 /nfs/dbraw/zinc/00/78/24/631007824.db2.gz YOXNTDOGYCKDQC-NSHDSACASA-N 1 0 293.363 2.395 20 10 CECDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000897344533 631150389 /nfs/dbraw/zinc/15/03/89/631150389.db2.gz DLWGRQMPMDUILX-AWEZNQCLSA-N 1 0 276.380 2.095 20 10 CECDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000897346036 631151408 /nfs/dbraw/zinc/15/14/08/631151408.db2.gz QIHTUHLMAOYBQH-CYBMUJFWSA-N 1 0 296.798 2.440 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(=O)NC2(C)C)c1 ZINC000802313747 631424545 /nfs/dbraw/zinc/42/45/45/631424545.db2.gz OAAJTYHRDYSKEA-IINYFYTJSA-N 1 0 292.379 2.109 20 10 CECDRO C[C@H](NC(=O)NCC[N@@H+]1CC[C@@H](C)C1)c1ccccc1O ZINC000897468878 631534197 /nfs/dbraw/zinc/53/41/97/631534197.db2.gz ASBMYYCYSBDKGR-OLZOCXBDSA-N 1 0 291.395 2.094 20 10 CECDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1=CC(=O)CS1 ZINC000807694564 631862952 /nfs/dbraw/zinc/86/29/52/631862952.db2.gz MUTWFBFRGYSXIJ-MNOVXSKESA-N 1 0 280.393 2.153 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c(Cl)c1 ZINC000897680811 631865759 /nfs/dbraw/zinc/86/57/59/631865759.db2.gz WNUGWKPDSAJYBD-RNCFNFMXSA-N 1 0 255.745 2.167 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)N(C)C)c1O ZINC000808687085 632001107 /nfs/dbraw/zinc/00/11/07/632001107.db2.gz JTGNQRMZQVECHG-JTQLQIEISA-N 1 0 284.787 2.483 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CC(N)=O)c1O ZINC000808703597 632003325 /nfs/dbraw/zinc/00/33/25/632003325.db2.gz PCDWQEKDINWNNQ-IUCAKERBSA-N 1 0 270.760 2.269 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898066110 632040674 /nfs/dbraw/zinc/04/06/74/632040674.db2.gz VHYRSLCSJQHHGS-DZGCQCFKSA-N 1 0 259.349 2.441 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCCOC2)c1 ZINC000809692969 632128941 /nfs/dbraw/zinc/12/89/41/632128941.db2.gz KUTFICZWSGQMCP-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CSC[C@H]2C)cc1OC ZINC000809702970 632130142 /nfs/dbraw/zinc/13/01/42/632130142.db2.gz KUKPTVQOXKQUQH-MWLCHTKSSA-N 1 0 283.393 2.251 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@@H](O)C(F)(F)F)cc1C ZINC000809742016 632136812 /nfs/dbraw/zinc/13/68/12/632136812.db2.gz GMOOVEKTLNHTPY-GFCCVEGCSA-N 1 0 277.286 2.412 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c1O ZINC000898375758 632187980 /nfs/dbraw/zinc/18/79/80/632187980.db2.gz HFWOMAWOIORHMW-ZIAGYGMSSA-N 1 0 277.364 2.224 20 10 CECDRO CCC[NH2+]CCNC/C=C\c1ccc(N(C)C)cc1 ZINC000841046641 632349395 /nfs/dbraw/zinc/34/93/95/632349395.db2.gz KEUSRVDXPYCRQW-WAYWQWQTSA-N 1 0 261.413 2.355 20 10 CECDRO CCOCCOCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000927085459 632453926 /nfs/dbraw/zinc/45/39/26/632453926.db2.gz IJECCWPULNZUET-GFCCVEGCSA-N 1 0 283.368 2.105 20 10 CECDRO CN(C)c1ccc([C@H](C[NH2+]C2CSC2)N(C)C)cc1 ZINC000898449936 632498968 /nfs/dbraw/zinc/49/89/68/632498968.db2.gz LXIBYIBTXADAIM-HNNXBMFYSA-N 1 0 279.453 2.060 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](O)C2(C)C)c1 ZINC000812778655 632576028 /nfs/dbraw/zinc/57/60/28/632576028.db2.gz KIOLNICRDIKRHM-AWEZNQCLSA-N 1 0 265.353 2.136 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](CC)[C@@H]2CCOC2)c1 ZINC000812780532 632577049 /nfs/dbraw/zinc/57/70/49/632577049.db2.gz HSEKQIKAOHLIEP-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)cc1F ZINC000814173543 632799208 /nfs/dbraw/zinc/79/92/08/632799208.db2.gz MRFYJYZRANIRLK-XJKSGUPXSA-N 1 0 277.387 2.028 20 10 CECDRO Cc1cc(C[N@H+](CC(N)=O)C2CCCC2)ccc1N(C)C ZINC000815037127 632951177 /nfs/dbraw/zinc/95/11/77/632951177.db2.gz FNOYPXWFMDPITP-UHFFFAOYSA-N 1 0 289.423 2.291 20 10 CECDRO Cc1cc(CN2CCN(C)C(=O)C2(C)C)ccc1N(C)C ZINC000815059554 632953395 /nfs/dbraw/zinc/95/33/95/632953395.db2.gz DJLWQVCJHFXRRL-UHFFFAOYSA-N 1 0 289.423 2.114 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c(O)c1 ZINC000815576683 633033432 /nfs/dbraw/zinc/03/34/32/633033432.db2.gz WDZKHWFIIFLUEE-LSDHHAIUSA-N 1 0 292.423 2.380 20 10 CECDRO CCS(=O)(=O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816546197 633410061 /nfs/dbraw/zinc/41/00/61/633410061.db2.gz AYHKZVJBPQZEKN-UHFFFAOYSA-N 1 0 293.388 2.070 20 10 CECDRO OCC1(C[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816555951 633412328 /nfs/dbraw/zinc/41/23/28/633412328.db2.gz VDUYWQCSXKREHC-UHFFFAOYSA-N 1 0 257.333 2.408 20 10 CECDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816561268 633413259 /nfs/dbraw/zinc/41/32/59/633413259.db2.gz QUUOBANLUKRNRW-LLVKDONJSA-N 1 0 272.348 2.160 20 10 CECDRO CO[C@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCOC1 ZINC000816569994 633414971 /nfs/dbraw/zinc/41/49/71/633414971.db2.gz DNUZTIKOFLQDIH-KRWDZBQOSA-N 1 0 287.359 2.441 20 10 CECDRO CC[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccccc1O ZINC000817410870 633650919 /nfs/dbraw/zinc/65/09/19/633650919.db2.gz IXXRLGHPKRAYJZ-LBPRGKRZSA-N 1 0 262.353 2.089 20 10 CECDRO Cc1cccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1O ZINC000817411634 633651133 /nfs/dbraw/zinc/65/11/33/633651133.db2.gz WLHFBQNEKNZZRF-JOCQHMNTSA-N 1 0 276.380 2.082 20 10 CECDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000817412785 633652562 /nfs/dbraw/zinc/65/25/62/633652562.db2.gz OVXPWOHEGSPWPM-TZMCWYRMSA-N 1 0 280.387 2.342 20 10 CECDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000817415272 633652792 /nfs/dbraw/zinc/65/27/92/633652792.db2.gz WAGVIQPOOVUNDC-DGCLKSJQSA-N 1 0 266.360 2.237 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1O ZINC000817414379 633653444 /nfs/dbraw/zinc/65/34/44/633653444.db2.gz IULUHMNHFIZVLI-SKDRFNHKSA-N 1 0 285.771 2.399 20 10 CECDRO CON1CCC([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000817418099 633656411 /nfs/dbraw/zinc/65/64/11/633656411.db2.gz AEJFOPVLYSXOGY-SNAWJCMRSA-N 1 0 289.423 2.381 20 10 CECDRO C[C@@H]([NH2+]CCC[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000817938805 633788855 /nfs/dbraw/zinc/78/88/55/633788855.db2.gz SQNZTSOPWQPCKZ-SSDOTTSWSA-N 1 0 291.164 2.293 20 10 CECDRO COC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C(C)C ZINC000817939519 633789178 /nfs/dbraw/zinc/78/91/78/633789178.db2.gz CAGXBVGVFQIDDP-HZPDHXFCSA-N 1 0 279.428 2.013 20 10 CECDRO COCCNCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000817965504 633805849 /nfs/dbraw/zinc/80/58/49/633805849.db2.gz WEFILLARHKKTLX-CYBMUJFWSA-N 1 0 288.391 2.432 20 10 CECDRO CCN(C)c1ccc([C@@H](C)NCC[NH2+]CCOC)cc1 ZINC000817964376 633806441 /nfs/dbraw/zinc/80/64/41/633806441.db2.gz AAILNBBKMREYFV-CQSZACIVSA-N 1 0 279.428 2.029 20 10 CECDRO C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1cc(F)ccc1O ZINC000817967857 633809577 /nfs/dbraw/zinc/80/95/77/633809577.db2.gz CUQOZQLSCURHAT-NRUUGDAUSA-N 1 0 252.333 2.180 20 10 CECDRO COC[C@]1(CN[C@@H](C)c2c(C)cc(C)cc2O)CCC[NH2+]1 ZINC000817973683 633816739 /nfs/dbraw/zinc/81/67/39/633816739.db2.gz GIKGBLKNTYJIJU-WMLDXEAASA-N 1 0 292.423 2.428 20 10 CECDRO C[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)[C@H](C)[NH3+] ZINC000817977752 633822119 /nfs/dbraw/zinc/82/21/19/633822119.db2.gz OCIQQWVBASRZCU-XQQFMLRXSA-N 1 0 295.402 2.049 20 10 CECDRO COc1ccc(N2CC[C@@H](C[NH2+]CC3(C)COC3)C2)cc1 ZINC000818220106 633886367 /nfs/dbraw/zinc/88/63/67/633886367.db2.gz FFROYTARNLALDH-AWEZNQCLSA-N 1 0 290.407 2.148 20 10 CECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000818345973 633913760 /nfs/dbraw/zinc/91/37/60/633913760.db2.gz ZAINXKFDDBOAJX-GJZGRUSLSA-N 1 0 290.407 2.290 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(N(C)C)cc1 ZINC000903321428 635055032 /nfs/dbraw/zinc/05/50/32/635055032.db2.gz FCRDFGGLGADUSA-HZPDHXFCSA-N 1 0 261.413 2.497 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C)c2c1c(F)ccc2O ZINC000903317400 635063829 /nfs/dbraw/zinc/06/38/29/635063829.db2.gz KGGHHEVWHDIFNG-CKYFFXLPSA-N 1 0 264.344 2.373 20 10 CECDRO COc1ccc(N(C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1F ZINC000903733449 635250397 /nfs/dbraw/zinc/25/03/97/635250397.db2.gz KKZAGKKEKZZTEP-BBRMVZONSA-N 1 0 294.370 2.039 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](OCCO)C2)cc1Cl ZINC000824767789 635494890 /nfs/dbraw/zinc/49/48/90/635494890.db2.gz AXVDPMRXZICTIW-ZDUSSCGKSA-N 1 0 299.798 2.327 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000824845566 635510369 /nfs/dbraw/zinc/51/03/69/635510369.db2.gz MEFKMEALFXPVGP-WBVHZDCISA-N 1 0 291.391 2.288 20 10 CECDRO COc1cc(Cl)cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1O ZINC000824893029 635519294 /nfs/dbraw/zinc/51/92/94/635519294.db2.gz IXUSZQYJGQMDEW-GXFFZTMASA-N 1 0 296.798 2.190 20 10 CECDRO COc1cccc(O)c1C[NH2+]Cc1cnccc1C ZINC000824910397 635522624 /nfs/dbraw/zinc/52/26/24/635522624.db2.gz VPTGAVKFFSZPQU-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000825040822 635546548 /nfs/dbraw/zinc/54/65/48/635546548.db2.gz UJQKEDUGBLSESE-OLZOCXBDSA-N 1 0 293.363 2.222 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)Cc2cnn(C)c2)c1 ZINC000825045060 635548919 /nfs/dbraw/zinc/54/89/19/635548919.db2.gz BFDJJOKEWYABHQ-LBPRGKRZSA-N 1 0 259.353 2.155 20 10 CECDRO Cc1cccc(C[N@H+](CCO)C2CCSCC2)c1O ZINC000825133709 635575909 /nfs/dbraw/zinc/57/59/09/635575909.db2.gz LJPHDXGNUVRLIM-UHFFFAOYSA-N 1 0 281.421 2.391 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000825133468 635576467 /nfs/dbraw/zinc/57/64/67/635576467.db2.gz GQFYFBWBLVXCDF-MRXNPFEDSA-N 1 0 277.364 2.403 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1O ZINC000825280056 635605363 /nfs/dbraw/zinc/60/53/63/635605363.db2.gz WVIRJONVFNIIQE-JOYOIKCWSA-N 1 0 282.771 2.098 20 10 CECDRO [NH3+]CC[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000904405801 635612371 /nfs/dbraw/zinc/61/23/71/635612371.db2.gz PTWGAQFCZWSIDS-SECBINFHSA-N 1 0 272.751 2.355 20 10 CECDRO CC1(C)CCCN1CC[NH2+]Cc1cc(F)ccc1O ZINC000825326562 635616970 /nfs/dbraw/zinc/61/69/70/635616970.db2.gz NLHNOMVGAWBDNV-UHFFFAOYSA-N 1 0 266.360 2.495 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCN2CCCC2(C)C)c1 ZINC000825325398 635617434 /nfs/dbraw/zinc/61/74/34/635617434.db2.gz CGCBMRWMTMWXBX-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)cc1Cl ZINC000825357521 635624659 /nfs/dbraw/zinc/62/46/59/635624659.db2.gz GJJADXAFSATVMF-NHYWBVRUSA-N 1 0 298.814 2.163 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000825942564 635737226 /nfs/dbraw/zinc/73/72/26/635737226.db2.gz CWTVZOOOCNSROC-CVEARBPZSA-N 1 0 289.423 2.099 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826845314 635859605 /nfs/dbraw/zinc/85/96/05/635859605.db2.gz ITFALIQXEGEFTJ-LLVKDONJSA-N 1 0 292.770 2.159 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1O ZINC000826911111 635879299 /nfs/dbraw/zinc/87/92/99/635879299.db2.gz RZYHCWRDEMVMMP-PJIJBLCYSA-N 1 0 281.421 2.480 20 10 CECDRO CN1CC(C[N@H+](C)Cc2c(O)cccc2Cl)C1 ZINC000827125436 636225280 /nfs/dbraw/zinc/22/52/80/636225280.db2.gz KPWNYGRRLRAPTB-UHFFFAOYSA-N 1 0 254.761 2.039 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2COC3(CCC3)C2)cc1OC ZINC000827132606 636228230 /nfs/dbraw/zinc/22/82/30/636228230.db2.gz MRZUKHHBOFKMRO-GFCCVEGCSA-N 1 0 293.363 2.211 20 10 CECDRO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1 ZINC000827151442 636238169 /nfs/dbraw/zinc/23/81/69/636238169.db2.gz BEHKENYUCFGNEH-ATCWAGBWSA-N 1 0 279.380 2.240 20 10 CECDRO C[C@@H]1C[NH+](Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)C1O ZINC000827152370 636239157 /nfs/dbraw/zinc/23/91/57/636239157.db2.gz SRARPGWYUVENPS-VXGBXAGGSA-N 1 0 280.387 2.340 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCC[C@@H](C)O2)cc1OC ZINC000827251916 636269407 /nfs/dbraw/zinc/26/94/07/636269407.db2.gz QYWKKUVMUUTVKU-DGCLKSJQSA-N 1 0 295.379 2.457 20 10 CECDRO Cc1cccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1O ZINC000827549080 636349832 /nfs/dbraw/zinc/34/98/32/636349832.db2.gz AFJDKKTTYCRVKV-MRXNPFEDSA-N 1 0 290.407 2.044 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c(O)c1 ZINC000827594771 636361898 /nfs/dbraw/zinc/36/18/98/636361898.db2.gz JMAAWGQMYZFOMD-ZIAGYGMSSA-N 1 0 277.364 2.259 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC3(COC3)C2)c1 ZINC000827646064 636375239 /nfs/dbraw/zinc/37/52/39/636375239.db2.gz YZEYIUBKEPISLO-UHFFFAOYSA-N 1 0 263.337 2.013 20 10 CECDRO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c1O ZINC000827680970 636387238 /nfs/dbraw/zinc/38/72/38/636387238.db2.gz RPYZSDDNYWRRPO-OAHLLOKOSA-N 1 0 290.407 2.437 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](C)CC2)c1O ZINC000905737308 636423434 /nfs/dbraw/zinc/42/34/34/636423434.db2.gz GPECCHAZNKXIHF-LBPRGKRZSA-N 1 0 265.353 2.320 20 10 CECDRO CCc1cc(NCc2ccc(OC)cc2O)cc[nH+]1 ZINC000828068051 636500870 /nfs/dbraw/zinc/50/08/70/636500870.db2.gz SEQWQDRPDWTZPN-UHFFFAOYSA-N 1 0 258.321 2.392 20 10 CECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H]1COCCO1 ZINC000829516013 636873190 /nfs/dbraw/zinc/87/31/90/636873190.db2.gz MPTBWFTYDCTXCA-HNNXBMFYSA-N 1 0 279.380 2.410 20 10 CECDRO O=C(CC[C@@H]1CCC[NH2+]1)NCCCSc1nccs1 ZINC000829528248 636875148 /nfs/dbraw/zinc/87/51/48/636875148.db2.gz NIPMGINAXRHBNN-NSHDSACASA-N 1 0 299.465 2.274 20 10 CECDRO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C)cc1O ZINC000876511642 650297048 /nfs/dbraw/zinc/29/70/48/650297048.db2.gz QJDCPOFESJATHL-UHFFFAOYSA-N 1 0 264.369 2.001 20 10 CECDRO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)c1ccc(N(C)C)cc1 ZINC000907494344 637034731 /nfs/dbraw/zinc/03/47/31/637034731.db2.gz XBHTUJZGWJIDFZ-CYBMUJFWSA-N 1 0 287.407 2.026 20 10 CECDRO CCC[N@H+](Cc1ccc(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000876537849 650311083 /nfs/dbraw/zinc/31/10/83/650311083.db2.gz FSVVBHXYSLULLF-CQSZACIVSA-N 1 0 297.420 2.100 20 10 CECDRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(OC)cc1O ZINC000832178831 637513295 /nfs/dbraw/zinc/51/32/95/637513295.db2.gz XRBHBFYCXJATRX-CYBMUJFWSA-N 1 0 294.395 2.041 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2CCCC2)cc1 ZINC000832292166 637535887 /nfs/dbraw/zinc/53/58/87/637535887.db2.gz BWAIITGBPCDUJI-INIZCTEOSA-N 1 0 289.423 2.449 20 10 CECDRO CN(C(=O)/C=C\[C@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000876620404 650364128 /nfs/dbraw/zinc/36/41/28/650364128.db2.gz NYVLYYUKPPTWDR-MEQVVJDKSA-N 1 0 280.318 2.483 20 10 CECDRO CCC(=O)N1CCC[N@H+](Cc2c(C)cccc2O)CC1 ZINC000876625144 650366071 /nfs/dbraw/zinc/36/60/71/650366071.db2.gz VYQNHTKBHWXXEE-UHFFFAOYSA-N 1 0 276.380 2.145 20 10 CECDRO CCC(=O)N1CCC[N@H+](Cc2ccc(C)cc2O)CC1 ZINC000876625409 650366218 /nfs/dbraw/zinc/36/62/18/650366218.db2.gz ZLIMJVDMLFCYBU-UHFFFAOYSA-N 1 0 276.380 2.145 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCCOC[C@H]1CCOC1)CC2 ZINC000834598992 637886169 /nfs/dbraw/zinc/88/61/69/637886169.db2.gz URDUCYUQKGKFAV-HIFRSBDPSA-N 1 0 291.391 2.412 20 10 CECDRO COCCOC[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834667883 637912800 /nfs/dbraw/zinc/91/28/00/637912800.db2.gz CPLIKRGHCCOIDC-YPMHNXCESA-N 1 0 265.353 2.021 20 10 CECDRO NC(=O)Cc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)cc1 ZINC000834803064 637955947 /nfs/dbraw/zinc/95/59/47/637955947.db2.gz JKNNHKRELKSTIH-HNNXBMFYSA-N 1 0 296.370 2.197 20 10 CECDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000834844708 637968101 /nfs/dbraw/zinc/96/81/01/637968101.db2.gz UFGCVLNZOVFEGK-BBRMVZONSA-N 1 0 281.396 2.447 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000834849864 637969398 /nfs/dbraw/zinc/96/93/98/637969398.db2.gz GXADWZNCPJBIPG-LSDHHAIUSA-N 1 0 292.423 2.198 20 10 CECDRO CC[N@@H+]1CCCN(C(=O)C2=CC(=O)CS2)[C@H](C)C1 ZINC000910275446 637969819 /nfs/dbraw/zinc/96/98/19/637969819.db2.gz VSHVSLJWDHCVAV-SNVBAGLBSA-N 1 0 268.382 2.010 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2CCCO)c(O)c1 ZINC000834850404 637970398 /nfs/dbraw/zinc/97/03/98/637970398.db2.gz LXWZMWNTEXMLOG-HUUCEWRRSA-N 1 0 292.423 2.198 20 10 CECDRO CC[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(N(C)C)cc1 ZINC000834909604 637985263 /nfs/dbraw/zinc/98/52/63/637985263.db2.gz SOCJZVYJMCQTJT-WBVHZDCISA-N 1 0 289.423 2.462 20 10 CECDRO O=C1[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C[C@@H]2CCCCN12 ZINC000834911856 637986081 /nfs/dbraw/zinc/98/60/81/637986081.db2.gz BGJONJJSLUWRLF-BFHYXJOUSA-N 1 0 286.375 2.123 20 10 CECDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(=O)NC ZINC000834912408 637986362 /nfs/dbraw/zinc/98/63/62/637986362.db2.gz LXKUVTIJLJMFHF-DVVUODLYSA-N 1 0 280.343 2.194 20 10 CECDRO CCN(C/C=C\c1ccc(N(C)C)cc1)CC(=O)OC ZINC000835024883 638029000 /nfs/dbraw/zinc/02/90/00/638029000.db2.gz AKMCOABEFYVPTB-SREVYHEPSA-N 1 0 276.380 2.261 20 10 CECDRO CNC(=O)CCC[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835029703 638030226 /nfs/dbraw/zinc/03/02/26/638030226.db2.gz WGOSTMUGTCVHDN-FNORWQNLSA-N 1 0 289.423 2.224 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000835036493 638033182 /nfs/dbraw/zinc/03/31/82/638033182.db2.gz QJHOJVNPQJCEDI-SCOBNMCVSA-N 1 0 288.313 2.279 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2cnn(C)c2)cc1 ZINC000835037018 638033382 /nfs/dbraw/zinc/03/33/82/638033382.db2.gz UCZYXKQFTHWLFF-PLNGDYQASA-N 1 0 284.407 2.332 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCCn2cncn2)cc1 ZINC000835038897 638033846 /nfs/dbraw/zinc/03/38/46/638033846.db2.gz UWTFKSHPLFWYMA-HYXAFXHYSA-N 1 0 285.395 2.037 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCc1ccc(C)cn1 ZINC000835065915 638046349 /nfs/dbraw/zinc/04/63/49/638046349.db2.gz RNHPSMNNUMTGQF-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO Cc1nc(CC[N@@H+](C)Cc2ccc(C)cc2O)no1 ZINC000876673618 650393450 /nfs/dbraw/zinc/39/34/50/650393450.db2.gz ZOZIUSGAFSLRSE-UHFFFAOYSA-N 1 0 261.325 2.067 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876782185 650429339 /nfs/dbraw/zinc/42/93/39/650429339.db2.gz NBYMTYQQEFERIC-OAHLLOKOSA-N 1 0 263.337 2.086 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000876814442 650443792 /nfs/dbraw/zinc/44/37/92/650443792.db2.gz MEZCZVLFKBEHCU-CQSZACIVSA-N 1 0 286.379 2.204 20 10 CECDRO Cc1ccc2c(c1)CCN2C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876885142 650472936 /nfs/dbraw/zinc/47/29/36/650472936.db2.gz LDBPRXCLMBZYDF-DYLGSBMWSA-N 1 0 270.376 2.440 20 10 CECDRO COc1ccc(N2CC[NH+](CC3CC3)CC2)cc1F ZINC000156686823 639373784 /nfs/dbraw/zinc/37/37/84/639373784.db2.gz ZKSDOFRNAVFSJL-UHFFFAOYSA-N 1 0 264.344 2.366 20 10 CECDRO C[C@H]1COCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000046478109 639550729 /nfs/dbraw/zinc/55/07/29/639550729.db2.gz GORHWXPCSBIHCA-NSHDSACASA-N 1 0 258.321 2.161 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1COC[C@@H]1OC)c1ccc(N(C)C)cc1 ZINC000840824539 639553801 /nfs/dbraw/zinc/55/38/01/639553801.db2.gz ODQMTVHIFBGAKE-OAGGEKHMSA-N 1 0 278.396 2.207 20 10 CECDRO C[C@H](C[NH2+]Cc1cc(F)ccc1O)N1CCCCC1 ZINC000226585838 639554943 /nfs/dbraw/zinc/55/49/43/639554943.db2.gz KZOPMUKJVVVDFP-GFCCVEGCSA-N 1 0 266.360 2.495 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CCN1C ZINC000226612781 639555798 /nfs/dbraw/zinc/55/57/98/639555798.db2.gz WRGSLHMGTXPBLZ-ZWNOBZJWSA-N 1 0 252.333 2.104 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCn2ccnc2)c(Cl)c1 ZINC000840877631 639568958 /nfs/dbraw/zinc/56/89/58/639568958.db2.gz ZVYLPLDQWQKXFS-UHFFFAOYSA-N 1 0 265.744 2.340 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCNC(=O)C(C)C)c(Cl)c1 ZINC000840877314 639569340 /nfs/dbraw/zinc/56/93/40/639569340.db2.gz VAZSAIOCIAKXKI-UHFFFAOYSA-N 1 0 284.787 2.216 20 10 CECDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000840892044 639575285 /nfs/dbraw/zinc/57/52/85/639575285.db2.gz XKRAPBNOOYUUOR-BDAKNGLRSA-N 1 0 286.322 2.234 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H](C)CO)c(Cl)c1 ZINC000840898908 639576462 /nfs/dbraw/zinc/57/64/62/639576462.db2.gz HLAYALUWAKGMEO-UWVGGRQHSA-N 1 0 257.761 2.461 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H](C)CO)c(Cl)c1 ZINC000840898909 639576923 /nfs/dbraw/zinc/57/69/23/639576923.db2.gz HLAYALUWAKGMEO-VHSXEESVSA-N 1 0 257.761 2.461 20 10 CECDRO CNC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840909560 639583027 /nfs/dbraw/zinc/58/30/27/639583027.db2.gz ITAFWFYEXGACIS-UHFFFAOYSA-N 1 0 289.423 2.019 20 10 CECDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840914857 639584697 /nfs/dbraw/zinc/58/46/97/639584697.db2.gz HHLXAPTYHHAURI-HNNXBMFYSA-N 1 0 289.423 2.019 20 10 CECDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840922096 639587101 /nfs/dbraw/zinc/58/71/01/639587101.db2.gz HZTUPCDAPUJQRC-JTQLQIEISA-N 1 0 284.787 2.168 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)CC(F)F ZINC000840941619 639593890 /nfs/dbraw/zinc/59/38/90/639593890.db2.gz DSLCXLKYQHUYLZ-LBPRGKRZSA-N 1 0 272.339 2.167 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840942169 639595641 /nfs/dbraw/zinc/59/56/41/639595641.db2.gz UQPXCAHZBGZKKA-HIFRSBDPSA-N 1 0 290.407 2.492 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000840954128 639598857 /nfs/dbraw/zinc/59/88/57/639598857.db2.gz GWOYMIZGMFFRQM-MRXNPFEDSA-N 1 0 277.364 2.402 20 10 CECDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000227828889 639606356 /nfs/dbraw/zinc/60/63/56/639606356.db2.gz UEZUFNSCRTZZPT-KGLIPLIRSA-N 1 0 279.336 2.024 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c(O)c1 ZINC000840977467 639606923 /nfs/dbraw/zinc/60/69/23/639606923.db2.gz IHIGSUCJVVZIRP-GXTWGEPZSA-N 1 0 279.380 2.384 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)cc1OC ZINC000840979893 639608455 /nfs/dbraw/zinc/60/84/55/639608455.db2.gz VKSDWLJPABONDV-NEPJUHHUSA-N 1 0 295.379 2.002 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000841026557 639620503 /nfs/dbraw/zinc/62/05/03/639620503.db2.gz IIAVACFZNXMEON-WBVHZDCISA-N 1 0 273.424 2.327 20 10 CECDRO COC(=O)C1CCC([NH2+]CCc2ccc(N)cc2)CC1 ZINC000841038811 639628492 /nfs/dbraw/zinc/62/84/92/639628492.db2.gz QWMNHZHOKKYJBB-UHFFFAOYSA-N 1 0 276.380 2.133 20 10 CECDRO C[C@]1(C[NH2+]Cc2cccc(F)c2[O-])CCC[NH2+]C1 ZINC000841057044 639635632 /nfs/dbraw/zinc/63/56/32/639635632.db2.gz LKGVPLANPMLQQU-AWEZNQCLSA-N 1 0 252.333 2.011 20 10 CECDRO CC[NH2+][C@H](C)CNC/C=C\c1ccc(N(C)C)cc1 ZINC000841064433 639639135 /nfs/dbraw/zinc/63/91/35/639639135.db2.gz QMGHBQVXCZIXFG-LMVHVUTASA-N 1 0 261.413 2.353 20 10 CECDRO [NH3+]CC[C@@H](NCc1c(O)cccc1Cl)C(F)F ZINC000841074161 639644982 /nfs/dbraw/zinc/64/49/82/639644982.db2.gz MQIPKVYYMUMPKN-SECBINFHSA-N 1 0 264.703 2.118 20 10 CECDRO Oc1ccc(Cl)cc1CN[C@H]1C[NH2+]CCC1(F)F ZINC000841074997 639645536 /nfs/dbraw/zinc/64/55/36/639645536.db2.gz KHDVJNCGCYFIRB-NSHDSACASA-N 1 0 276.714 2.132 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2)cc1 ZINC000841079083 639647089 /nfs/dbraw/zinc/64/70/89/639647089.db2.gz KHGSQILALBSUCS-GJZGRUSLSA-N 1 0 279.403 2.322 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841079326 639648820 /nfs/dbraw/zinc/64/88/20/639648820.db2.gz MDBHVIXMOZKUOL-LBPRGKRZSA-N 1 0 266.772 2.277 20 10 CECDRO [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000841084654 639650370 /nfs/dbraw/zinc/65/03/70/639650370.db2.gz MNQSMHHSVMEDJH-LDYMZIIASA-N 1 0 272.751 2.402 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCOC2)c1O ZINC000228660241 639650593 /nfs/dbraw/zinc/65/05/93/639650593.db2.gz PEDBFOPQOTXOQR-LLVKDONJSA-N 1 0 271.744 2.275 20 10 CECDRO Cc1cccc(CN[C@@H](CC[NH3+])C(F)(F)F)c1O ZINC000841090005 639653732 /nfs/dbraw/zinc/65/37/32/639653732.db2.gz CYISLDOSEIMGQF-JTQLQIEISA-N 1 0 262.275 2.070 20 10 CECDRO COc1ccc(O)c(CN2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC000841106311 639683021 /nfs/dbraw/zinc/68/30/21/639683021.db2.gz JQIZLWZFHOBYPK-AWEZNQCLSA-N 1 0 284.359 2.291 20 10 CECDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2ccccc2O)C1 ZINC000841106653 639683735 /nfs/dbraw/zinc/68/37/35/639683735.db2.gz NJSWNYFMLZZDAW-CQSZACIVSA-N 1 0 254.333 2.282 20 10 CECDRO [NH3+][C@H]1Cc2ccccc2N(Cc2cccc(F)c2O)C1 ZINC000841107067 639683791 /nfs/dbraw/zinc/68/37/91/639683791.db2.gz USLXXAPJMMVVBX-ZDUSSCGKSA-N 1 0 272.323 2.421 20 10 CECDRO CO[C@H](C)CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876997430 650524914 /nfs/dbraw/zinc/52/49/14/650524914.db2.gz WXXQELOSQAIBIU-CQSZACIVSA-N 1 0 292.423 2.162 20 10 CECDRO CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000876989059 650521770 /nfs/dbraw/zinc/52/17/70/650521770.db2.gz SVQXXCZQUPNLKU-LLVKDONJSA-N 1 0 284.350 2.492 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccccc1O ZINC000230206250 639746502 /nfs/dbraw/zinc/74/65/02/639746502.db2.gz QZZFOKUVORUCME-MNOVXSKESA-N 1 0 251.326 2.194 20 10 CECDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000230696804 639780048 /nfs/dbraw/zinc/78/00/48/639780048.db2.gz OXLWITISXQRVJC-GHMZBOCLSA-N 1 0 281.377 2.495 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccc(Cl)cc1O ZINC000841748810 639857021 /nfs/dbraw/zinc/85/70/21/639857021.db2.gz ZDMXSNRGPDQYPX-GXFFZTMASA-N 1 0 299.798 2.484 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(Cl)cc1O ZINC000841748065 639857472 /nfs/dbraw/zinc/85/74/72/639857472.db2.gz VVWNKYXBQHQWIP-MWLCHTKSSA-N 1 0 254.761 2.400 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)CC2 ZINC000841762524 639860576 /nfs/dbraw/zinc/86/05/76/639860576.db2.gz PUPZDXMEUHUKPP-NWDGAFQWSA-N 1 0 282.334 2.309 20 10 CECDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000841950651 639909991 /nfs/dbraw/zinc/90/99/91/639909991.db2.gz VEGZINYDABREPN-JSGCOSHPSA-N 1 0 291.395 2.051 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000842007363 639918394 /nfs/dbraw/zinc/91/83/94/639918394.db2.gz SSRNJIGWSGMWAO-STQMWFEESA-N 1 0 292.427 2.020 20 10 CECDRO CC[C@@H](C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000842146918 639965857 /nfs/dbraw/zinc/96/58/57/639965857.db2.gz FBLPZSBACHXBMO-KRWDZBQOSA-N 1 0 292.423 2.380 20 10 CECDRO COc1ncc(C[NH2+]Cc2cc(OC)ccc2O)s1 ZINC000877035358 650541352 /nfs/dbraw/zinc/54/13/52/650541352.db2.gz FSXHUKVYYZGBGG-UHFFFAOYSA-N 1 0 280.349 2.156 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COC[C@H]2OC)cc1F ZINC000842751934 640169620 /nfs/dbraw/zinc/16/96/20/640169620.db2.gz DAYZJDDBFWNTCT-GDBMZVCRSA-N 1 0 296.386 2.175 20 10 CECDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000842754601 640170520 /nfs/dbraw/zinc/17/05/20/640170520.db2.gz QSWDLJPRPYGNJB-JQWIXIFHSA-N 1 0 281.352 2.008 20 10 CECDRO CCN(C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C(C)C ZINC000842786344 640182728 /nfs/dbraw/zinc/18/27/28/640182728.db2.gz YFHXGOQAPPCHJP-HNNXBMFYSA-N 1 0 292.427 2.192 20 10 CECDRO CC[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052331 640256165 /nfs/dbraw/zinc/25/61/65/640256165.db2.gz OPTXIDQXOITQHN-HIFRSBDPSA-N 1 0 279.403 2.451 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000877081610 650563743 /nfs/dbraw/zinc/56/37/43/650563743.db2.gz DIGLQDWTIRWIKC-GFCCVEGCSA-N 1 0 276.380 2.190 20 10 CECDRO C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843114533 640285512 /nfs/dbraw/zinc/28/55/12/640285512.db2.gz CYUXWNXMMZJRRX-ZDUSSCGKSA-N 1 0 299.212 2.325 20 10 CECDRO CN(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000843118060 640287165 /nfs/dbraw/zinc/28/71/65/640287165.db2.gz VVVXAOUOXMIIDF-GOSISDBHSA-N 1 0 296.418 2.294 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c(O)c1 ZINC000877095210 650570014 /nfs/dbraw/zinc/57/00/14/650570014.db2.gz PPRXNXLFSDBKMB-WFASDCNBSA-N 1 0 260.381 2.273 20 10 CECDRO CCCCNC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349894 640399606 /nfs/dbraw/zinc/39/96/06/640399606.db2.gz LTRQHECFAXIOSQ-CYBMUJFWSA-N 1 0 289.423 2.203 20 10 CECDRO CC[C@H](C)NC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350690 640399690 /nfs/dbraw/zinc/39/96/90/640399690.db2.gz WQSNDNQNIVGUBS-STQMWFEESA-N 1 0 289.423 2.201 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN(C)CCC[NH3+])c1O ZINC000843351490 640399752 /nfs/dbraw/zinc/39/97/52/640399752.db2.gz XRZPQEJERFHAKB-UHFFFAOYSA-N 1 0 270.760 2.029 20 10 CECDRO Cc1noc(CCCN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843349771 640399821 /nfs/dbraw/zinc/39/98/21/640399821.db2.gz BJPGJBWXOSKMFC-UHFFFAOYSA-N 1 0 286.379 2.222 20 10 CECDRO CCN(Cc1nc(C(C)(C)[NH3+])no1)c1ccc(OC)cc1 ZINC000843357876 640402480 /nfs/dbraw/zinc/40/24/80/640402480.db2.gz SFBVUBCDBHKLIN-UHFFFAOYSA-N 1 0 290.367 2.299 20 10 CECDRO COc1ccc(N2CCC([NH2+]Cc3ccno3)CC2)cc1 ZINC000843403297 640417494 /nfs/dbraw/zinc/41/74/94/640417494.db2.gz WITQGRABBKAGOE-UHFFFAOYSA-N 1 0 287.363 2.442 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1O ZINC000843414957 640420564 /nfs/dbraw/zinc/42/05/64/640420564.db2.gz PBCJMZPKQUSRRI-AWEZNQCLSA-N 1 0 284.363 2.177 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925413647 640424056 /nfs/dbraw/zinc/42/40/56/640424056.db2.gz UBEYHWWSMXJKFU-AWEZNQCLSA-N 1 0 291.395 2.018 20 10 CECDRO CC(C)([NH3+])CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000843489378 640442303 /nfs/dbraw/zinc/44/23/03/640442303.db2.gz DUXAITKCWNEABG-UHFFFAOYSA-N 1 0 290.407 2.405 20 10 CECDRO C[C@H](CNC(=O)Cc1ccc(N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000844171222 640623199 /nfs/dbraw/zinc/62/31/99/640623199.db2.gz HABVOROWJKVLDT-ZIAGYGMSSA-N 1 0 289.423 2.190 20 10 CECDRO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](OC)C2CC2)cc1 ZINC000844402272 640709183 /nfs/dbraw/zinc/70/91/83/640709183.db2.gz RGRPVPSDIQQPNV-QGZVFWFLSA-N 1 0 292.423 2.488 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CCO)c1[O-] ZINC000844446512 640728438 /nfs/dbraw/zinc/72/84/38/640728438.db2.gz HSCQJRUKOQIIHN-VIFPVBQESA-N 1 0 285.771 2.451 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)CCO)c1[O-] ZINC000844446511 640728631 /nfs/dbraw/zinc/72/86/31/640728631.db2.gz HSCQJRUKOQIIHN-SECBINFHSA-N 1 0 285.771 2.451 20 10 CECDRO Cc1cc(C[N@@H+](C)[C@H](C)CCO)ccc1N(C)C ZINC000844451599 640732569 /nfs/dbraw/zinc/73/25/69/640732569.db2.gz SOZKVMTUNQFUEF-CYBMUJFWSA-N 1 0 250.386 2.264 20 10 CECDRO CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000153873335 640737812 /nfs/dbraw/zinc/73/78/12/640737812.db2.gz AZGBDCXBPGLEPQ-LLVKDONJSA-N 1 0 292.379 2.062 20 10 CECDRO C[NH2+]Cc1ccccc1C[NH2+]Cc1c(O)cccc1OC ZINC000844904377 640861461 /nfs/dbraw/zinc/86/14/61/640861461.db2.gz JUHJKUASKVFOEH-UHFFFAOYSA-N 1 0 286.375 2.410 20 10 CECDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000846018571 641152923 /nfs/dbraw/zinc/15/29/23/641152923.db2.gz USKWQGZHMXBBCX-DGCLKSJQSA-N 1 0 297.395 2.296 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1ccccc1O ZINC000846096363 641179145 /nfs/dbraw/zinc/17/91/45/641179145.db2.gz GWODYRQELKZHGG-TZMCWYRMSA-N 1 0 276.380 2.301 20 10 CECDRO COc1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)cc1C ZINC000846111380 641185359 /nfs/dbraw/zinc/18/53/59/641185359.db2.gz SMIFDBFPPBAIPK-INIZCTEOSA-N 1 0 279.380 2.025 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCCc2cnn(C)c2)c1O ZINC000846148327 641203044 /nfs/dbraw/zinc/20/30/44/641203044.db2.gz ZNZOJVLDKCOOFY-LBPRGKRZSA-N 1 0 289.379 2.418 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](CCO)C(C)C)c1O ZINC000846149429 641203314 /nfs/dbraw/zinc/20/33/14/641203314.db2.gz ZJDSCKZRVMVWIQ-WCQYABFASA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)c1O ZINC000846165572 641209785 /nfs/dbraw/zinc/20/97/85/641209785.db2.gz VVKAFHAGAADCTI-BIMULSAOSA-N 1 0 265.353 2.211 20 10 CECDRO CCn1ccnc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846170698 641211206 /nfs/dbraw/zinc/21/12/06/641211206.db2.gz YTIGUXNSXCWVJG-LLVKDONJSA-N 1 0 275.352 2.468 20 10 CECDRO CC[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)OC ZINC000846172888 641212786 /nfs/dbraw/zinc/21/27/86/641212786.db2.gz PIJJUATYLYNYLW-GHMZBOCLSA-N 1 0 253.342 2.476 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1O ZINC000846205639 641220111 /nfs/dbraw/zinc/22/01/11/641220111.db2.gz IRHPOXZVEQWXBF-GHMZBOCLSA-N 1 0 292.354 2.193 20 10 CECDRO C[C@@H](NC(=O)C1([NH2+]C2CC2)CCC1)c1ccccc1O ZINC000877256540 650644213 /nfs/dbraw/zinc/64/42/13/650644213.db2.gz ZCODGEYSDWCKSA-LLVKDONJSA-N 1 0 274.364 2.244 20 10 CECDRO Oc1ccc(F)cc1CN1CC[NH+](CC2CC2)CC1 ZINC000179940509 641395384 /nfs/dbraw/zinc/39/53/84/641395384.db2.gz AZSWWROYEJRTKR-UHFFFAOYSA-N 1 0 264.344 2.059 20 10 CECDRO CCC[N@H+](CC(=O)N(C)CC1CC1)Cc1ccccc1O ZINC000068973607 641485710 /nfs/dbraw/zinc/48/57/10/641485710.db2.gz PNOLDDYULWOMFD-UHFFFAOYSA-N 1 0 290.407 2.473 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCN(C)C[C@@H]2C(C)C)c1 ZINC000182134092 641628482 /nfs/dbraw/zinc/62/84/82/641628482.db2.gz HLBOOOXMWABCKD-OAHLLOKOSA-N 1 0 278.396 2.173 20 10 CECDRO C[C@H]1CCCN(Cc2ccc(N(C)C)cc2)[C@@H]1C[NH3+] ZINC000070175326 641642160 /nfs/dbraw/zinc/64/21/60/641642160.db2.gz OMHOTDWAVXAHRA-XJKSGUPXSA-N 1 0 261.413 2.312 20 10 CECDRO C[C@H]([NH2+]CCC1(C)OCCO1)c1ccccc1O ZINC000183906520 641812726 /nfs/dbraw/zinc/81/27/26/641812726.db2.gz JXMPCFPYVLRORM-NSHDSACASA-N 1 0 251.326 2.196 20 10 CECDRO C[C@H]([NH2+]CCc1ccnn1C)c1ccc(N(C)C)cc1 ZINC000184018543 641828490 /nfs/dbraw/zinc/82/84/90/641828490.db2.gz YMBIWUVRVSAOCD-ZDUSSCGKSA-N 1 0 272.396 2.379 20 10 CECDRO COc1cccc(C[N@@H+]2CCN(C)C[C@H]2C(C)C)c1O ZINC000184737418 641898770 /nfs/dbraw/zinc/89/87/70/641898770.db2.gz NSDLIYCTELOAPL-AWEZNQCLSA-N 1 0 278.396 2.173 20 10 CECDRO Cc1ccc(C[NH2+]CCCCCS(C)(=O)=O)c(O)c1 ZINC000877424544 650715016 /nfs/dbraw/zinc/71/50/16/650715016.db2.gz XVDVYJGYEWMMTH-UHFFFAOYSA-N 1 0 285.409 2.005 20 10 CECDRO CO[C@@](C)(CO)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000848559291 642053433 /nfs/dbraw/zinc/05/34/33/642053433.db2.gz RUNKTUCNEJLCAK-YVEFUNNKSA-N 1 0 293.407 2.319 20 10 CECDRO CO[C@](C)(CO)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000848561485 642054740 /nfs/dbraw/zinc/05/47/40/642054740.db2.gz ZKMHLTHWUYXLOS-KRWDZBQOSA-N 1 0 292.423 2.164 20 10 CECDRO CCOCCN1CC[NH+](Cc2cccc(CC)c2O)CC1 ZINC000848880085 642168369 /nfs/dbraw/zinc/16/83/69/642168369.db2.gz CRNUHGGAZGJQGB-UHFFFAOYSA-N 1 0 292.423 2.109 20 10 CECDRO CCc1cccc(C[NH2+]CC(C)(C)N2CCOCC2)c1O ZINC000848890315 642174931 /nfs/dbraw/zinc/17/49/31/642174931.db2.gz GUFITOHLPLQFSO-UHFFFAOYSA-N 1 0 292.423 2.155 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000848899162 642178121 /nfs/dbraw/zinc/17/81/21/642178121.db2.gz DFGQZXPASVDGRH-RDJZCZTQSA-N 1 0 291.391 2.382 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1O ZINC000848905804 642182655 /nfs/dbraw/zinc/18/26/55/642182655.db2.gz OKRVOMPNYNQXHA-NWANDNLSSA-N 1 0 288.391 2.040 20 10 CECDRO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cccc(CC)c1O ZINC000848906473 642183227 /nfs/dbraw/zinc/18/32/27/642183227.db2.gz WTZZQSVEJHWASF-KRWDZBQOSA-N 1 0 290.407 2.445 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)c1O ZINC000848907303 642183870 /nfs/dbraw/zinc/18/38/70/642183870.db2.gz LDFJJORYLUQPLV-BLVKFPJESA-N 1 0 281.421 2.155 20 10 CECDRO CCc1cccc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1O ZINC000848908382 642183931 /nfs/dbraw/zinc/18/39/31/642183931.db2.gz SHBWRCFMGLZWBO-GUYCJALGSA-N 1 0 291.391 2.334 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)c1O ZINC000848915479 642188479 /nfs/dbraw/zinc/18/84/79/642188479.db2.gz IEXNAJLMDWAHGT-AWEZNQCLSA-N 1 0 292.379 2.227 20 10 CECDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921524617 642190471 /nfs/dbraw/zinc/19/04/71/642190471.db2.gz HEVDLWYQDXIXCN-ZDUSSCGKSA-N 1 0 271.364 2.386 20 10 CECDRO CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000848919271 642192003 /nfs/dbraw/zinc/19/20/03/642192003.db2.gz VAHVEBGFRSBACJ-OAHLLOKOSA-N 1 0 288.391 2.129 20 10 CECDRO C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000848924268 642194890 /nfs/dbraw/zinc/19/48/90/642194890.db2.gz ZCXWFTJNCGDQCT-KLPPZKSPSA-N 1 0 268.788 2.475 20 10 CECDRO CN1CCCc2cc(CNC(=[NH2+])NC3CCC3)ccc21 ZINC000848998984 642218370 /nfs/dbraw/zinc/21/83/70/642218370.db2.gz QOZVPYQAZNGIJV-UHFFFAOYSA-N 1 0 272.396 2.235 20 10 CECDRO Cc1ccc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c(O)c1 ZINC000877485704 650744800 /nfs/dbraw/zinc/74/48/00/650744800.db2.gz DJDBLQXUUUNDOD-AWEZNQCLSA-N 1 0 291.391 2.471 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000877487039 650745587 /nfs/dbraw/zinc/74/55/87/650745587.db2.gz UBSHXDBPRRLSAR-VBQJREDUSA-N 1 0 291.391 2.469 20 10 CECDRO COc1ccc(C[NH2+]CCC[C@H]2CCO2)c(O)c1 ZINC000877493050 650749679 /nfs/dbraw/zinc/74/96/79/650749679.db2.gz CHGKPWCLSXUQDC-LBPRGKRZSA-N 1 0 251.326 2.060 20 10 CECDRO Cc1cccc(O)c1CN(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000877525238 650765762 /nfs/dbraw/zinc/76/57/62/650765762.db2.gz WESBRJDYBFODNN-OAHLLOKOSA-N 1 0 292.423 2.243 20 10 CECDRO O=C(C[NH2+]Cc1ccc2c(c1)CCCO2)NC1CCCC1 ZINC000921726871 642562688 /nfs/dbraw/zinc/56/26/88/642562688.db2.gz IGLVPHXSFBFDIZ-UHFFFAOYSA-N 1 0 288.391 2.160 20 10 CECDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000850355439 642679843 /nfs/dbraw/zinc/67/98/43/642679843.db2.gz IRNGHHUXORTRME-JCGVRSQUSA-N 1 0 267.394 2.172 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@H]1C[C@@H](O)c3ccccc31)OCO2 ZINC000850372242 642685686 /nfs/dbraw/zinc/68/56/86/642685686.db2.gz RSFGNPBVXAQITJ-DZGCQCFKSA-N 1 0 299.326 2.389 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC(O)(C2CC2)C2CC2)c1 ZINC000850386175 642694557 /nfs/dbraw/zinc/69/45/57/642694557.db2.gz GTGIUSQZHDAFKQ-UHFFFAOYSA-N 1 0 291.391 2.432 20 10 CECDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC1CC1 ZINC000850386525 642694749 /nfs/dbraw/zinc/69/47/49/642694749.db2.gz LPGOOHZOZDCMPB-AWEZNQCLSA-N 1 0 261.365 2.120 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H]3C[C@]3(C)OC)CC2)cc1 ZINC000850410905 642703315 /nfs/dbraw/zinc/70/33/15/642703315.db2.gz YWNPXQDZXOJZBK-SJORKVTESA-N 1 0 290.407 2.431 20 10 CECDRO CON(C)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000850478976 642725553 /nfs/dbraw/zinc/72/55/53/642725553.db2.gz ISJQUKIDLBHOBA-GFCCVEGCSA-N 1 0 278.396 2.415 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)C2)cc1 ZINC000850488940 642729891 /nfs/dbraw/zinc/72/98/91/642729891.db2.gz PQABYAIENUNRKE-MCIONIFRSA-N 1 0 278.396 2.287 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3C)C2)cc1 ZINC000850489386 642730969 /nfs/dbraw/zinc/73/09/69/642730969.db2.gz SUKPMRCEJXXAGN-GRDNDAEWSA-N 1 0 290.407 2.289 20 10 CECDRO CO[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCOC1 ZINC000922237511 642974540 /nfs/dbraw/zinc/97/45/40/642974540.db2.gz ZXPCLTOYRHFRJO-NVXWUHKLSA-N 1 0 291.391 2.153 20 10 CECDRO CCN1CCC[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C1=O ZINC000922639463 643172531 /nfs/dbraw/zinc/17/25/31/643172531.db2.gz MHQAAQOTWWARJL-AWEZNQCLSA-N 1 0 276.380 2.110 20 10 CECDRO CN(C)c1ccc(C[N@H+](CCOCCO)C2CCC2)cc1 ZINC000852291675 643381533 /nfs/dbraw/zinc/38/15/33/643381533.db2.gz ZSLRLQNTOACWLL-UHFFFAOYSA-N 1 0 292.423 2.116 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@](CO)(OC)C2)cc1 ZINC000852412614 643417714 /nfs/dbraw/zinc/41/77/14/643417714.db2.gz WZMZWCYWKOGROM-KRWDZBQOSA-N 1 0 292.423 2.116 20 10 CECDRO CC(C)(F)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877663502 650839937 /nfs/dbraw/zinc/83/99/37/650839937.db2.gz SJBUYXBDBOMGEV-UHFFFAOYSA-N 1 0 280.387 2.485 20 10 CECDRO COC(=O)N(C)CC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000852568456 643476583 /nfs/dbraw/zinc/47/65/83/643476583.db2.gz FWSUEOZDGLIBNW-UHFFFAOYSA-N 1 0 293.411 2.191 20 10 CECDRO Cc1cc(C[N@@H+]2CCC3(COC3)C2)ccc1N(C)C ZINC000852682909 643509791 /nfs/dbraw/zinc/50/97/91/643509791.db2.gz BQEVRIMZZOBHRU-UHFFFAOYSA-N 1 0 260.381 2.283 20 10 CECDRO CCc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(C)=O)c1O ZINC000877676283 650845634 /nfs/dbraw/zinc/84/56/34/650845634.db2.gz ZULVUCSZAYHGML-MRXNPFEDSA-N 1 0 290.407 2.445 20 10 CECDRO CCN(C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(OC)cc1 ZINC000852745315 643530023 /nfs/dbraw/zinc/53/00/23/643530023.db2.gz RATCXRPFFJRFLC-HNNXBMFYSA-N 1 0 276.380 2.043 20 10 CECDRO CC[C@H]([NH2+]C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000852776163 643547046 /nfs/dbraw/zinc/54/70/46/643547046.db2.gz LHWJLCNBHJGZPK-INIZCTEOSA-N 1 0 291.439 2.489 20 10 CECDRO O=C(C=C1CC[NH2+]CC1)N1CCc2cc(F)c(F)cc21 ZINC000852811970 643561295 /nfs/dbraw/zinc/56/12/95/643561295.db2.gz NBCUMQUILAGLQG-UHFFFAOYSA-N 1 0 278.302 2.164 20 10 CECDRO COc1ccc2c(c1)N(C(=O)C=C1CC[NH2+]CC1)CCC2 ZINC000852916010 643597525 /nfs/dbraw/zinc/59/75/25/643597525.db2.gz UERQPPZNBAKXTE-UHFFFAOYSA-N 1 0 286.375 2.284 20 10 CECDRO Cc1cc(CN2CC[NH2+]C[C@@H]2C(F)F)ccc1N(C)C ZINC000923351564 643676991 /nfs/dbraw/zinc/67/69/91/643676991.db2.gz JYAKXDCKMHJUGK-CQSZACIVSA-N 1 0 283.366 2.100 20 10 CECDRO O=C(NCC1CC[NH+](C2CC2)CC1)C1=CC(=O)CS1 ZINC000774864526 643810920 /nfs/dbraw/zinc/81/09/20/643810920.db2.gz QWCBZVQZINSTCP-UHFFFAOYSA-N 1 0 280.393 2.058 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1OC ZINC000853576796 643818516 /nfs/dbraw/zinc/81/85/16/643818516.db2.gz QVJWWQKMDVOEAU-QWRGUYRKSA-N 1 0 263.337 2.251 20 10 CECDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(F)ccc3O)CC[C@H]21 ZINC000877740972 650884416 /nfs/dbraw/zinc/88/44/16/650884416.db2.gz LQCKYKDOHHGJFE-BXUZGUMPSA-N 1 0 264.344 2.057 20 10 CECDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1cc(Br)ccc1O ZINC000854232785 644020105 /nfs/dbraw/zinc/02/01/05/644020105.db2.gz UENFLBOZJZJWPR-BDAKNGLRSA-N 1 0 287.201 2.413 20 10 CECDRO CCOc1ccc(CN2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c(O)c1 ZINC000877744386 650890219 /nfs/dbraw/zinc/89/02/19/650890219.db2.gz SIKAAYUPYBLJBJ-CZUORRHYSA-N 1 0 290.407 2.317 20 10 CECDRO COc1cccc(O)c1C[NH+]1CC2(C1)CCCOC2 ZINC000839137607 644170841 /nfs/dbraw/zinc/17/08/41/644170841.db2.gz GJPDBWKCJFCMHM-UHFFFAOYSA-N 1 0 263.337 2.013 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)c1ccccc1O ZINC000877755645 650898852 /nfs/dbraw/zinc/89/88/52/650898852.db2.gz JNEJWZZLYUNATF-YNEHKIRRSA-N 1 0 276.380 2.490 20 10 CECDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2O)c[nH]1 ZINC000877756571 650899314 /nfs/dbraw/zinc/89/93/14/650899314.db2.gz UAYXKIXZQNMKCI-SNVBAGLBSA-N 1 0 274.320 2.358 20 10 CECDRO CCCn1cc(C[NH2+][C@@H](C)c2ccccc2O)nn1 ZINC000877758059 650899963 /nfs/dbraw/zinc/89/99/63/650899963.db2.gz HOGIAUBOOAVQGJ-NSHDSACASA-N 1 0 260.341 2.245 20 10 CECDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2O)c[nH]1 ZINC000877757366 650900309 /nfs/dbraw/zinc/90/03/09/650900309.db2.gz UAYXKIXZQNMKCI-JTQLQIEISA-N 1 0 274.320 2.358 20 10 CECDRO COc1cc(C)cc(CN(C)Cc2ccon2)c1O ZINC000754739803 644423549 /nfs/dbraw/zinc/42/35/49/644423549.db2.gz BNYHVEMTKKTNEX-UHFFFAOYSA-N 1 0 262.309 2.329 20 10 CECDRO CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756344285 644631863 /nfs/dbraw/zinc/63/18/63/644631863.db2.gz SXLLIYFCAQYRFV-IQJOONFLSA-N 1 0 253.317 2.440 20 10 CECDRO C[C@H]([NH2+]CCC[NH+](C)C)c1cc(F)cc(F)c1[O-] ZINC000756341689 644631965 /nfs/dbraw/zinc/63/19/65/644631965.db2.gz JEUGQJCXTPNICW-VIFPVBQESA-N 1 0 258.312 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AMDAVXGQSUOMTN-MRVWCRGKSA-N 1 0 276.380 2.266 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CCCn2cncn2)c2c1c(F)ccc2O ZINC000756830456 644696318 /nfs/dbraw/zinc/69/63/18/644696318.db2.gz QIGFVYMNBYJWOM-ZYHUDNBSSA-N 1 0 290.342 2.351 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CO)CC(F)(F)F)c(O)c1 ZINC000756993441 644716816 /nfs/dbraw/zinc/71/68/16/644716816.db2.gz AQGKRYQIJUEUJT-JTQLQIEISA-N 1 0 293.285 2.194 20 10 CECDRO C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843058314 644773142 /nfs/dbraw/zinc/77/31/42/644773142.db2.gz RNUKOFMVILZBED-IUCAKERBSA-N 1 0 299.758 2.123 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c1O ZINC000857061970 644805634 /nfs/dbraw/zinc/80/56/34/644805634.db2.gz XESQPEPROHZYGH-GXTWGEPZSA-N 1 0 279.380 2.241 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000857084289 644813394 /nfs/dbraw/zinc/81/33/94/644813394.db2.gz LNHZRPQLJXKUBG-XWIASGKRSA-N 1 0 292.354 2.290 20 10 CECDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC(=O)CS1 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C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000126911108 651000028 /nfs/dbraw/zinc/00/00/28/651000028.db2.gz CZWFGCBTDCDYPQ-GASCZTMLSA-N 1 0 290.407 2.132 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCc2ncnn21 ZINC000878151478 651014946 /nfs/dbraw/zinc/01/49/46/651014946.db2.gz REICNIFAZHSCGJ-AWEZNQCLSA-N 1 0 286.379 2.383 20 10 CECDRO Oc1ccccc1C[N@@H+](Cc1cn[nH]c1)C[C@H]1CCCO1 ZINC000768161536 646091865 /nfs/dbraw/zinc/09/18/65/646091865.db2.gz GTVKIBYNZZBHEI-OAHLLOKOSA-N 1 0 287.363 2.297 20 10 CECDRO CC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768440115 646122386 /nfs/dbraw/zinc/12/23/86/646122386.db2.gz SQUNGPIHHUTTGV-NHYWBVRUSA-N 1 0 277.364 2.440 20 10 CECDRO CCC[NH+](CCC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441408 646123026 /nfs/dbraw/zinc/12/30/26/646123026.db2.gz LGAJKYKJBNCQIQ-AWEZNQCLSA-N 1 0 265.353 2.440 20 10 CECDRO CC[C@@H](C)C[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444402 646123396 /nfs/dbraw/zinc/12/33/96/646123396.db2.gz AUOSGEKOHYULEF-QMTHXVAHSA-N 1 0 265.353 2.296 20 10 CECDRO C[N@H+](Cc1cc2c(cc1O)CCCC2)[C@H]1CCOC1 ZINC000768450108 646125629 /nfs/dbraw/zinc/12/56/29/646125629.db2.gz HWYQOKFCECHZGV-HNNXBMFYSA-N 1 0 261.365 2.492 20 10 CECDRO CC(C)[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464766 646128526 /nfs/dbraw/zinc/12/85/26/646128526.db2.gz UXQWNPPSCRWJPK-XHDPSFHLSA-N 1 0 277.364 2.296 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c(O)c1 ZINC000768518951 646134366 /nfs/dbraw/zinc/13/43/66/646134366.db2.gz JRIJIKBADOPYFK-QWHCGFSZSA-N 1 0 279.380 2.384 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@H]3CCCOC3)CC2)cc1 ZINC000768535044 646136892 /nfs/dbraw/zinc/13/68/92/646136892.db2.gz CWMZDWWMBSBRRX-OAHLLOKOSA-N 1 0 290.407 2.244 20 10 CECDRO CCOc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(O)c1 ZINC000769162262 646218005 /nfs/dbraw/zinc/21/80/05/646218005.db2.gz USFXDYVACJZXOR-OAHLLOKOSA-N 1 0 290.407 2.461 20 10 CECDRO CCOc1ccc(C[NH+]2CCC([C@H](C)O)CC2)c(O)c1 ZINC000769311610 646242515 /nfs/dbraw/zinc/24/25/15/646242515.db2.gz NHIVEFIUHDLYKP-LBPRGKRZSA-N 1 0 279.380 2.384 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCCO[C@@H](C)C2)c(O)c1 ZINC000769319636 646244118 /nfs/dbraw/zinc/24/41/18/646244118.db2.gz VXJJJQGXDJJJFS-LBPRGKRZSA-N 1 0 265.353 2.402 20 10 CECDRO COCC1(O)CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000769452172 646268424 /nfs/dbraw/zinc/26/84/24/646268424.db2.gz QXFXMZYXHVTUST-UHFFFAOYSA-N 1 0 285.771 2.019 20 10 CECDRO COc1cccc(C[NH2+][C@@H](CO)c2ccsc2)c1O ZINC000769935355 646336324 /nfs/dbraw/zinc/33/63/24/646336324.db2.gz SNXCZROIUIHXAT-LBPRGKRZSA-N 1 0 279.361 2.286 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCSC[C@H]2CCO)cc1F ZINC000770308099 646377986 /nfs/dbraw/zinc/37/79/86/646377986.db2.gz YZOXISGQBHFUGQ-CYBMUJFWSA-N 1 0 298.427 2.192 20 10 CECDRO CN(C)c1cc(F)c(CN(C)CCC[NH+](C)C)cc1F ZINC000862366472 646416802 /nfs/dbraw/zinc/41/68/02/646416802.db2.gz JAKPAZLZWGKCBH-UHFFFAOYSA-N 1 0 285.382 2.414 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000770752354 646434317 /nfs/dbraw/zinc/43/43/17/646434317.db2.gz NMLUBMIOKFMOPD-ABAIWWIYSA-N 1 0 297.782 2.473 20 10 CECDRO C[C@H](O)C1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862418799 646451620 /nfs/dbraw/zinc/45/16/20/646451620.db2.gz LSJSPHLQQTWCJR-VIFPVBQESA-N 1 0 270.323 2.034 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@]1(C)CO ZINC000862418026 646452127 /nfs/dbraw/zinc/45/21/27/646452127.db2.gz KCLMVKZOZUOQNN-MEDUHNTESA-N 1 0 298.377 2.481 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C2CCN(c3cnccn3)CC2)c1 ZINC000862476069 646473372 /nfs/dbraw/zinc/47/33/72/646473372.db2.gz HKSWUYREIBKEQI-UHFFFAOYSA-N 1 0 298.390 2.249 20 10 CECDRO CN(C)c1cc(F)c(C[N@H+](C)CC2(C)COC2)cc1F ZINC000862479366 646475411 /nfs/dbraw/zinc/47/54/11/646475411.db2.gz LMINWQNMODCHLI-UHFFFAOYSA-N 1 0 284.350 2.499 20 10 CECDRO CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000772600556 646647924 /nfs/dbraw/zinc/64/79/24/646647924.db2.gz OOQQBHOWXUAIGF-TXEJJXNPSA-N 1 0 265.353 2.400 20 10 CECDRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000773021713 646697206 /nfs/dbraw/zinc/69/72/06/646697206.db2.gz BJOUXAQYAAFXPV-IUODEOHRSA-N 1 0 275.396 2.024 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000863482153 646739655 /nfs/dbraw/zinc/73/96/55/646739655.db2.gz VDMIVDKISXARBZ-UONOGXRCSA-N 1 0 265.376 2.122 20 10 CECDRO CCOc1ccc(CN[C@H]2CC[C@@H](C)[NH2+]C2)c(O)c1 ZINC000863484231 646740353 /nfs/dbraw/zinc/74/03/53/646740353.db2.gz IGXFETKMYMSBMT-YPMHNXCESA-N 1 0 264.369 2.021 20 10 CECDRO Cc1cc(Br)c(O)c(CN[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863487322 646741719 /nfs/dbraw/zinc/74/17/19/646741719.db2.gz NUZMTCDALAMNPH-JOYOIKCWSA-N 1 0 299.212 2.303 20 10 CECDRO Cn1ccc(CN2CCCc3cc(C[NH3+])ccc32)c1 ZINC000863642156 646775624 /nfs/dbraw/zinc/77/56/24/646775624.db2.gz SVOXBXIYALRDRW-UHFFFAOYSA-N 1 0 255.365 2.437 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@]2(C)CO)cc1 ZINC000773847681 646780956 /nfs/dbraw/zinc/78/09/56/646780956.db2.gz OZZBDIZAWSBAAJ-INIZCTEOSA-N 1 0 262.397 2.490 20 10 CECDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000774618422 646868514 /nfs/dbraw/zinc/86/85/14/646868514.db2.gz JTMYCPUDRLTBPU-WDBKCZKBSA-N 1 0 277.364 2.438 20 10 CECDRO COCC[C@]1([NH2+]Cc2ccc(N(C)C)c(F)c2)CCOC1 ZINC000775031749 646917769 /nfs/dbraw/zinc/91/77/69/646917769.db2.gz FXTUAKNQFCWYJL-INIZCTEOSA-N 1 0 296.386 2.177 20 10 CECDRO C[C@@H]([NH2+]Cc1cnc(N(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000775365128 646946256 /nfs/dbraw/zinc/94/62/56/646946256.db2.gz UIQRWARZZMNBDR-CYBMUJFWSA-N 1 0 299.422 2.459 20 10 CECDRO C[C@H](NC(=O)C1([NH+](C)C)CCC1)c1ccc(N(C)C)cc1 ZINC000775412596 646951752 /nfs/dbraw/zinc/95/17/52/646951752.db2.gz ZPYCVNFLFBGJSI-ZDUSSCGKSA-N 1 0 289.423 2.414 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCCNC1=O)c1cc(Cl)ccc1O ZINC000775500113 646960660 /nfs/dbraw/zinc/96/06/60/646960660.db2.gz PABSRHQGYLLKDG-RYUDHWBXSA-N 1 0 282.771 2.365 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)cc1OC ZINC000776231888 647040165 /nfs/dbraw/zinc/04/01/65/647040165.db2.gz PSBQBCSHOKBXAW-HUUCEWRRSA-N 1 0 295.379 2.313 20 10 CECDRO COc1cccc(C[NH2+][C@]23CCC[C@H]2OCC3)c1O ZINC000865858612 647507061 /nfs/dbraw/zinc/50/70/61/647507061.db2.gz GCINWCQPFJQXNP-HIFRSBDPSA-N 1 0 263.337 2.202 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CC)C[C@@H](C)O)c(O)c1 ZINC000865872362 647514428 /nfs/dbraw/zinc/51/44/28/647514428.db2.gz LCKYHJAPORBJLT-YPMHNXCESA-N 1 0 267.369 2.430 20 10 CECDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000866418962 647780634 /nfs/dbraw/zinc/78/06/34/647780634.db2.gz ZWULAFDTGHWKSX-XYPHTWIQSA-N 1 0 290.407 2.087 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@H](COC)C2)c(O)c1 ZINC000784666888 647873685 /nfs/dbraw/zinc/87/36/85/647873685.db2.gz CASHMWALOQFWDR-WFASDCNBSA-N 1 0 295.379 2.027 20 10 CECDRO Cn1cnc(C[NH2+]Cc2ccc3c(c2)CCCN3C)c1 ZINC000808386092 648148834 /nfs/dbraw/zinc/14/88/34/648148834.db2.gz VZSSGRGPEBSIAX-UHFFFAOYSA-N 1 0 270.380 2.092 20 10 CECDRO C[C@H](O)CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000789304879 648284888 /nfs/dbraw/zinc/28/48/88/648284888.db2.gz GKIUNMMJPAVGAX-HNNXBMFYSA-N 1 0 292.423 2.116 20 10 CECDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000789762920 648339197 /nfs/dbraw/zinc/33/91/97/648339197.db2.gz BCABCYACEZDXOV-LBPRGKRZSA-N 1 0 298.814 2.198 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)Cc2cnn(C)c2C)c1 ZINC000790938914 648462905 /nfs/dbraw/zinc/46/29/05/648462905.db2.gz PACUZLUFDJAMDY-UHFFFAOYSA-N 1 0 275.352 2.075 20 10 CECDRO C[C@H]1CSCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000792724736 648669451 /nfs/dbraw/zinc/66/94/51/648669451.db2.gz DCTGVPFECBYCFP-QMTHXVAHSA-N 1 0 295.404 2.003 20 10 CECDRO CCN(CC)[C@H](C)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000793245728 648729107 /nfs/dbraw/zinc/72/91/07/648729107.db2.gz MEDXDKPMKGVBOT-GFCCVEGCSA-N 1 0 296.411 2.229 20 10 CECDRO C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccccc1O ZINC000872117922 649282975 /nfs/dbraw/zinc/28/29/75/649282975.db2.gz TUQPJSLQIUSUMP-RYUDHWBXSA-N 1 0 263.337 2.386 20 10 CECDRO CCCOc1ccc(C[NH2+]CC(=O)N(C)CC)cc1C ZINC000873108052 649559947 /nfs/dbraw/zinc/55/99/47/649559947.db2.gz CBKIPGGQPHIWJH-UHFFFAOYSA-N 1 0 278.396 2.352 20 10 CECDRO CCOc1ccc(CN2CCCCC[C@H]([NH3+])C2)c(O)c1 ZINC000873216344 649592996 /nfs/dbraw/zinc/59/29/96/649592996.db2.gz QRFAVMSCSHYVNO-AWEZNQCLSA-N 1 0 278.396 2.494 20 10 CECDRO CCOc1ccc(O)c(CN[C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873229914 649601485 /nfs/dbraw/zinc/60/14/85/649601485.db2.gz IVGLSJRFOSLHPC-HZPDHXFCSA-N 1 0 276.380 2.165 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC[NH+](C2CC2)CC1 ZINC000127910061 651334764 /nfs/dbraw/zinc/33/47/64/651334764.db2.gz IHCJVAYYCONRNK-UHFFFAOYSA-N 1 0 266.772 2.326 20 10 CECDRO C[C@@H]([NH2+]CCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000879649317 651335443 /nfs/dbraw/zinc/33/54/43/651335443.db2.gz NCICXCDKOFQFGR-HZSPNIEDSA-N 1 0 278.396 2.152 20 10 CECDRO COc1ccc(C[NH2+]CC[C@H](C)[S@](C)=O)cc1C ZINC000129363459 651931949 /nfs/dbraw/zinc/93/19/49/651931949.db2.gz JPUGFMXMKOEVIX-KPZWWZAWSA-N 1 0 269.410 2.250 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2C[C@@H](COC)C2)c(O)c1 ZINC000883317316 652430939 /nfs/dbraw/zinc/43/09/39/652430939.db2.gz BZZNZCLFFIMTSN-BJHJDKERSA-N 1 0 265.353 2.306 20 10 CECDRO O=C1[C@@H]([NH2+]Cc2ccccc2O)CCN1C1CCCCC1 ZINC000131593486 652438362 /nfs/dbraw/zinc/43/83/62/652438362.db2.gz OMMNRCJLKXSGTO-HNNXBMFYSA-N 1 0 288.391 2.415 20 10 CECDRO CCN1CC[C@H]1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000883358387 652441559 /nfs/dbraw/zinc/44/15/59/652441559.db2.gz JQLSWTIREAYTIY-LBPRGKRZSA-N 1 0 283.366 2.215 20 10 CECDRO CN1CC[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3O)C2)C1=O ZINC001273164491 810073883 /nfs/dbraw/zinc/07/38/83/810073883.db2.gz WNUUGNWGOOPCKR-HNNXBMFYSA-N 1 0 294.782 2.100 20 10 CECDRO C[C@@H](CCO)C[NH2+]Cc1c(O)cccc1Br ZINC000706872026 802846812 /nfs/dbraw/zinc/84/68/12/802846812.db2.gz WMYBLMBBANSYED-VIFPVBQESA-N 1 0 288.185 2.263 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCO[C@H]1CC1(F)F)CC2 ZINC000690723681 802880633 /nfs/dbraw/zinc/88/06/33/802880633.db2.gz BFRBYWQWZNCAIV-JQWIXIFHSA-N 1 0 269.291 2.393 20 10 CECDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000724165904 803058343 /nfs/dbraw/zinc/05/83/43/803058343.db2.gz ZUWQLTZWAYVZJD-ZIAGYGMSSA-N 1 0 281.327 2.343 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)[C@@H]1CO ZINC001140582632 803177385 /nfs/dbraw/zinc/17/73/85/803177385.db2.gz KYJZTGISGSSQKK-TVQRCGJNSA-N 1 0 271.307 2.263 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CCC(F)(F)CC1)OCO2 ZINC000404812179 803321069 /nfs/dbraw/zinc/32/10/69/803321069.db2.gz ZYKKGCHVGDOTLN-UHFFFAOYSA-N 1 0 271.263 2.352 20 10 CECDRO CC1C[NH+](Cc2ccc(N3CCOCC3)cc2F)C1 ZINC001140660356 803361067 /nfs/dbraw/zinc/36/10/67/803361067.db2.gz PBZJXAJECVBSIO-UHFFFAOYSA-N 1 0 264.344 2.114 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)c1O ZINC000693905632 803404952 /nfs/dbraw/zinc/40/49/52/803404952.db2.gz IKGNGZOKCVKNFL-ZDUSSCGKSA-N 1 0 278.396 2.363 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)C)C2=O)cc1C ZINC000708677174 803467609 /nfs/dbraw/zinc/46/76/09/803467609.db2.gz ZBYPMMBYNBBCQQ-CQSZACIVSA-N 1 0 276.380 2.103 20 10 CECDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(O)c(C)c1O)C2 ZINC001140747473 803513728 /nfs/dbraw/zinc/51/37/28/803513728.db2.gz AXJTUCONWCKFJV-WFASDCNBSA-N 1 0 263.337 2.160 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccccc1O ZINC000694591862 803571670 /nfs/dbraw/zinc/57/16/70/803571670.db2.gz WUQZTIWNNVJSTO-JSGCOSHPSA-N 1 0 297.420 2.400 20 10 CECDRO CN(C)c1ccc(CN2CC3(C2)C[NH+](C)C3)c(Cl)c1 ZINC001140927030 803608969 /nfs/dbraw/zinc/60/89/69/803608969.db2.gz DIBDEWQSZXQQAS-UHFFFAOYSA-N 1 0 279.815 2.153 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c(OC)c1 ZINC001141031720 803669114 /nfs/dbraw/zinc/66/91/14/803669114.db2.gz ITFIEMNSPIJUTD-NWDGAFQWSA-N 1 0 295.379 2.002 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC001141158525 803760734 /nfs/dbraw/zinc/76/07/34/803760734.db2.gz CLNYFRPRFQHRCO-ZDUSSCGKSA-N 1 0 270.332 2.482 20 10 CECDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000037126691 815012353 /nfs/dbraw/zinc/01/23/53/815012353.db2.gz IIXJBYKTXVYSRF-VXGBXAGGSA-N 1 0 264.369 2.300 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C2CCC(C(N)=O)CC2)c(O)c1 ZINC000037152062 815018083 /nfs/dbraw/zinc/01/80/83/815018083.db2.gz SKYXESCGZSTQGP-HIFPTAJRSA-N 1 0 276.380 2.395 20 10 CECDRO CC[C@@H](F)C(=O)N[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001268659007 804914934 /nfs/dbraw/zinc/91/49/34/804914934.db2.gz IYGABNFCKIHZON-TZMCWYRMSA-N 1 0 296.386 2.346 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H]2CO)cc1Cl ZINC001232266661 807238301 /nfs/dbraw/zinc/23/83/01/807238301.db2.gz XGNHMENOXBOAAU-NSHDSACASA-N 1 0 285.771 2.401 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c(O)c1 ZINC001119450231 815115462 /nfs/dbraw/zinc/11/54/62/815115462.db2.gz FKFLRFRJRFMHSN-OAHLLOKOSA-N 1 0 291.391 2.064 20 10 CECDRO CNc1ccccc1NCC1([NH+]2CCCC2)COC1 ZINC001168447405 807571663 /nfs/dbraw/zinc/57/16/63/807571663.db2.gz FUHYRKSRNZHMBD-UHFFFAOYSA-N 1 0 261.369 2.005 20 10 CECDRO [NH3+][C@@H]1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC001205094676 807581480 /nfs/dbraw/zinc/58/14/80/807581480.db2.gz NXLCMUWNVLGKJL-GFCCVEGCSA-N 1 0 299.212 2.468 20 10 CECDRO COc1cc(C)c(C[N@H+](C)CCc2noc(C)n2)c(O)c1 ZINC001236809178 808169847 /nfs/dbraw/zinc/16/98/47/808169847.db2.gz UIMJNZFLVUQVKO-UHFFFAOYSA-N 1 0 291.351 2.075 20 10 CECDRO CCOC(=O)[C@H]1C[N@H+](Cc2c(C)cccc2O)CCS1 ZINC001237493067 808222236 /nfs/dbraw/zinc/22/22/36/808222236.db2.gz VHLVQTRYORXZGW-CQSZACIVSA-N 1 0 295.404 2.181 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000691255839 808260401 /nfs/dbraw/zinc/26/04/01/808260401.db2.gz FSVFFTMFKJVUHA-HOCLYGCPSA-N 1 0 260.381 2.410 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@@H](N(C)C)C2)c1O ZINC000692129340 808393110 /nfs/dbraw/zinc/39/31/10/808393110.db2.gz JSZUYGXKPRXWIC-OAHLLOKOSA-N 1 0 262.397 2.481 20 10 CECDRO Cc1cc(C2([NH2+]Cc3ccc(N)cc3)CCOCC2)on1 ZINC001120371931 815217684 /nfs/dbraw/zinc/21/76/84/815217684.db2.gz VOGZYTSSYROSGT-UHFFFAOYSA-N 1 0 287.363 2.361 20 10 CECDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2O)C1 ZINC001203556476 808698841 /nfs/dbraw/zinc/69/88/41/808698841.db2.gz QCZCMJRKUUXJMG-YPMHNXCESA-N 1 0 263.337 2.023 20 10 CECDRO Cn1c(Cl)cnc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000700829563 809358887 /nfs/dbraw/zinc/35/88/87/809358887.db2.gz IJHHFDWEKJAUGZ-UHFFFAOYSA-N 1 0 290.798 2.485 20 10 CECDRO COCC[N@H+](C)Cc1ccc(Br)cc1O ZINC000700859875 809364036 /nfs/dbraw/zinc/36/40/36/809364036.db2.gz DOQLCHBNQZSZHU-UHFFFAOYSA-N 1 0 274.158 2.233 20 10 CECDRO Cn1nc(CN2CCCc3cc(C[NH3+])ccc32)cc1Cl ZINC000700948262 809371908 /nfs/dbraw/zinc/37/19/08/809371908.db2.gz UPIWWMFWCFJQJL-UHFFFAOYSA-N 1 0 290.798 2.485 20 10 CECDRO COc1ccc(O)c(C[NH2+]C2CCC(OC)CC2)c1 ZINC000703831159 809695927 /nfs/dbraw/zinc/69/59/27/809695927.db2.gz CVXAXGKFJSCRPC-UHFFFAOYSA-N 1 0 265.353 2.448 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccccc1O ZINC000704340977 809730249 /nfs/dbraw/zinc/73/02/49/809730249.db2.gz OBJGAYDPIOWPRV-STQMWFEESA-N 1 0 262.353 2.054 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](C)C[C@@H](C)O)c1O ZINC000709492905 809962201 /nfs/dbraw/zinc/96/22/01/809962201.db2.gz VSGHLGCSONIPOC-VXGBXAGGSA-N 1 0 251.370 2.451 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381332412 810329009 /nfs/dbraw/zinc/32/90/09/810329009.db2.gz BTZNKBSPVGNBTI-ZWNOBZJWSA-N 1 0 266.772 2.229 20 10 CECDRO OC[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CC1 ZINC000381487804 810475128 /nfs/dbraw/zinc/47/51/28/810475128.db2.gz KGUDXUKWGICSLV-LLVKDONJSA-N 1 0 286.169 2.015 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C(C)C)C2)cc1C ZINC001018523359 810629303 /nfs/dbraw/zinc/62/93/03/810629303.db2.gz ICLSTTWZGXFQTQ-HNNXBMFYSA-N 1 0 290.407 2.350 20 10 CECDRO C[C@@H](CCO)[NH2+]Cc1ccc(Br)cc1O ZINC000691405463 810717099 /nfs/dbraw/zinc/71/70/99/810717099.db2.gz UTWRCUVTCOGPSO-QMMMGPOBSA-N 1 0 274.158 2.015 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1O ZINC001122190717 815391945 /nfs/dbraw/zinc/39/19/45/815391945.db2.gz GVHDSKBINSCSCE-RTXFEEFZSA-N 1 0 262.353 2.087 20 10 CECDRO C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C)c1ccccc1O ZINC001122365319 815404987 /nfs/dbraw/zinc/40/49/87/815404987.db2.gz NAFHYKFROSFPIO-STQMWFEESA-N 1 0 291.395 2.237 20 10 CECDRO CCOCC[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172410958 815410179 /nfs/dbraw/zinc/41/01/79/815410179.db2.gz MFTZQWUJVXSDDE-LLVKDONJSA-N 1 0 253.342 2.045 20 10 CECDRO CC(C)COCC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001172462673 815447467 /nfs/dbraw/zinc/44/74/67/815447467.db2.gz VJONGSJOHQQYDA-LBPRGKRZSA-N 1 0 297.395 2.387 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](O)C1CC1 ZINC000691428618 811658301 /nfs/dbraw/zinc/65/83/01/811658301.db2.gz MSNDMRMSKVLMFM-LBPRGKRZSA-N 1 0 286.169 2.015 20 10 CECDRO CCc1cccc(C[NH2+]CC(C)(C)C(=O)OC)c1O ZINC000691435481 811758301 /nfs/dbraw/zinc/75/83/01/811758301.db2.gz FKJNIHNXXNPWMK-UHFFFAOYSA-N 1 0 265.353 2.243 20 10 CECDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(Br)cc1O ZINC000691452192 811857559 /nfs/dbraw/zinc/85/75/59/811857559.db2.gz DGUZUMSQIRHNCJ-QMMMGPOBSA-N 1 0 288.185 2.404 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001170560850 812674501 /nfs/dbraw/zinc/67/45/01/812674501.db2.gz MTMFULIJTSKSNR-CHWSQXEVSA-N 1 0 275.348 2.092 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](F)C(C)C)cc1C ZINC001132556145 812888156 /nfs/dbraw/zinc/88/81/56/812888156.db2.gz BHJCOEAYJJFMAV-HNNXBMFYSA-N 1 0 296.386 2.204 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(C)=O)cc1C ZINC001133431902 813055968 /nfs/dbraw/zinc/05/59/68/813055968.db2.gz LQTHRYNXIAOGRY-STQMWFEESA-N 1 0 278.396 2.396 20 10 CECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1CCCOC1 ZINC000389002324 813245183 /nfs/dbraw/zinc/24/51/83/813245183.db2.gz QWIASQQLNINFFD-QWRGUYRKSA-N 1 0 279.336 2.026 20 10 CECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CCCOC1 ZINC000389002319 813246014 /nfs/dbraw/zinc/24/60/14/813246014.db2.gz QWIASQQLNINFFD-GHMZBOCLSA-N 1 0 279.336 2.026 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccccc1O ZINC000391464453 813285207 /nfs/dbraw/zinc/28/52/07/813285207.db2.gz BMYHGXNTUHXPSM-DGCLKSJQSA-N 1 0 262.353 2.054 20 10 CECDRO CN1CCCc2cc(C[NH2+]Cc3cc[nH]c(=O)c3)ccc21 ZINC000392692053 813307353 /nfs/dbraw/zinc/30/73/53/813307353.db2.gz QWEVGWAZTGRNTL-UHFFFAOYSA-N 1 0 283.375 2.459 20 10 CECDRO CC[C@H]([NH2+][C@H](CCOC)COC)c1ccccc1O ZINC000394096667 813335370 /nfs/dbraw/zinc/33/53/70/813335370.db2.gz RDWSQKCMTLFDNI-OCCSQVGLSA-N 1 0 267.369 2.484 20 10 CECDRO COc1ccc(OCC[NH2+]Cc2ccc(N)cc2)cc1 ZINC000107787565 813351072 /nfs/dbraw/zinc/35/10/72/813351072.db2.gz ISTKAQIBXRXYRX-UHFFFAOYSA-N 1 0 272.348 2.446 20 10 CECDRO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1cc(F)ccc1O ZINC000397848865 813642563 /nfs/dbraw/zinc/64/25/63/813642563.db2.gz GHRNNDBUCIBZBD-SNVBAGLBSA-N 1 0 252.333 2.276 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CSC[C@H]2C)c(O)c1 ZINC000397913089 813645025 /nfs/dbraw/zinc/64/50/25/813645025.db2.gz ZEJUJFLNBOYMCW-BXKDBHETSA-N 1 0 253.367 2.242 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)cc1 ZINC000689688462 814006932 /nfs/dbraw/zinc/00/69/32/814006932.db2.gz GYBOHVNPQKEECP-UHFFFAOYSA-N 1 0 274.408 2.393 20 10 CECDRO Oc1cc(O)c(C[NH+]2CCC(F)(F)CC2)c(O)c1 ZINC001144499845 814089703 /nfs/dbraw/zinc/08/97/03/814089703.db2.gz LVEQKQSEZTUYRC-UHFFFAOYSA-N 1 0 259.252 2.035 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)c(O)c1 ZINC001144504188 814092945 /nfs/dbraw/zinc/09/29/45/814092945.db2.gz NJYKCRFKEIPPKS-LBPRGKRZSA-N 1 0 291.269 2.373 20 10 CECDRO CC(C)OC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144508933 814097125 /nfs/dbraw/zinc/09/71/25/814097125.db2.gz DRJDZTWQUOLYID-UHFFFAOYSA-N 1 0 281.352 2.193 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](C(F)F)C2)c(O)c1 ZINC001144508917 814097314 /nfs/dbraw/zinc/09/73/14/814097314.db2.gz DEVUIVAWQCRULD-QMMMGPOBSA-N 1 0 273.279 2.281 20 10 CECDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144515442 814099769 /nfs/dbraw/zinc/09/97/69/814099769.db2.gz OSJUMDLDUUVWGA-LBPRGKRZSA-N 1 0 251.326 2.424 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2C)c1 ZINC000234974641 814516096 /nfs/dbraw/zinc/51/60/96/814516096.db2.gz DSJQRQIBLJABMN-TUAOUCFPSA-N 1 0 265.353 2.476 20 10 CECDRO C[N@@H+]1C[C@H]2CCCN(Cc3c(F)ccc(F)c3[O-])[C@@H]2C1 ZINC001139682714 814726913 /nfs/dbraw/zinc/72/69/13/814726913.db2.gz BGTUSBJWATVOKL-QMTHXVAHSA-N 1 0 282.334 2.196 20 10 CECDRO Cc1n[nH]c(=O)c(C[NH2+][C@H](C)c2cc(F)ccc2O)c1C ZINC001116568904 814865796 /nfs/dbraw/zinc/86/57/96/814865796.db2.gz VZIUCXZKDKZOQJ-SNVBAGLBSA-N 1 0 291.326 2.495 20 10 CECDRO CCOC(=O)[C@H](NCc1cc(C)c(C)cc1O)C1CC1 ZINC001116739833 814878965 /nfs/dbraw/zinc/87/89/65/814878965.db2.gz BOUYWSABCWSADW-OAHLLOKOSA-N 1 0 277.364 2.440 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c2ccccc2n1C ZINC001138252302 815754777 /nfs/dbraw/zinc/75/47/77/815754777.db2.gz BADAJNOCMJWQCG-GDBMZVCRSA-N 1 0 276.355 2.391 20 10 CECDRO CNC(=O)CC[N@H+](C)Cc1c(C)n(C)c2ccccc21 ZINC001138257107 815756811 /nfs/dbraw/zinc/75/68/11/815756811.db2.gz WLCVBDZOCAVQLW-UHFFFAOYSA-N 1 0 273.380 2.055 20 10 CECDRO Cn1cc(C[N@H+](C)Cc2ccc3c(c2)CCCN3C)cn1 ZINC001138354720 815774529 /nfs/dbraw/zinc/77/45/29/815774529.db2.gz RLIJLYJIDXMPJM-UHFFFAOYSA-N 1 0 284.407 2.435 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3C[C@H](F)C[C@@H](CO)C3)ccc21 ZINC001138354839 815775466 /nfs/dbraw/zinc/77/54/66/815775466.db2.gz WMMPPJJLLSNSPI-GDBMZVCRSA-N 1 0 292.398 2.221 20 10 CECDRO F[C@@H]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC001138498172 815816651 /nfs/dbraw/zinc/81/66/51/815816651.db2.gz TZUIEOROIYJWJN-BHYGNILZSA-N 1 0 290.382 2.456 20 10 CECDRO Cc1cc(CN2CC(C)([NH+](C)C)C2)ccc1N(C)C ZINC001139673774 816077050 /nfs/dbraw/zinc/07/70/50/816077050.db2.gz ZOOKELYPHNBKDG-UHFFFAOYSA-N 1 0 261.413 2.197 20 10 CECDRO C[N@H+](Cc1cnc(Cl)nc1)Cc1ccccc1O ZINC001139991954 816159774 /nfs/dbraw/zinc/15/97/74/816159774.db2.gz MAZLBFZQFANXPJ-UHFFFAOYSA-N 1 0 263.728 2.468 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCC[C@H]1O ZINC001140057418 816179788 /nfs/dbraw/zinc/17/97/88/816179788.db2.gz GXOKWZWMUQSGNP-GXFFZTMASA-N 1 0 253.317 2.124 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1C ZINC001140184851 816205295 /nfs/dbraw/zinc/20/52/95/816205295.db2.gz IKBKGAKTFCRBTO-JSGCOSHPSA-N 1 0 277.364 2.250 20 10 CECDRO Oc1cccc(Cl)c1C[NH+]1CC2(CC(O)C2)C1 ZINC001140338092 816237675 /nfs/dbraw/zinc/23/76/75/816237675.db2.gz UUFWABGQOPMIKZ-UHFFFAOYSA-N 1 0 253.729 2.002 20 10 CECDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140338104 816238704 /nfs/dbraw/zinc/23/87/04/816238704.db2.gz VLAWGODTHQFBMZ-UWVGGRQHSA-N 1 0 255.745 2.248 20 10 CECDRO CC(=O)N1CCC([N@H+](C)Cc2ccc(Cl)cc2[O-])CC1 ZINC001140466611 816262709 /nfs/dbraw/zinc/26/27/09/816262709.db2.gz HZOQLOWTVFPXTA-UHFFFAOYSA-N 1 0 296.798 2.488 20 10 CECDRO CC[NH+](CC)C[C@H]1CN(Cc2cc(C)ccc2O)CCO1 ZINC001140624364 816309023 /nfs/dbraw/zinc/30/90/23/816309023.db2.gz SYMPPOQPPOGWBR-INIZCTEOSA-N 1 0 292.423 2.243 20 10 CECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1F)C1CC1 ZINC001140660668 816314814 /nfs/dbraw/zinc/31/48/14/816314814.db2.gz ZVQWEFJLYLOLCM-UHFFFAOYSA-N 1 0 264.344 2.257 20 10 CECDRO CC[N@H+](CCOC)Cc1ccc(N2CCOCC2)cc1F ZINC001140662363 816317006 /nfs/dbraw/zinc/31/70/06/816317006.db2.gz QORAFXMQIFTFFO-UHFFFAOYSA-N 1 0 296.386 2.131 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CCC3(COC3)CC2)c1O ZINC001140741694 816338382 /nfs/dbraw/zinc/33/83/82/816338382.db2.gz ARHQKDLSZXCNKB-UHFFFAOYSA-N 1 0 263.337 2.019 20 10 CECDRO CC[N@H+](CCn1cccn1)Cc1ccc(O)c(C)c1O ZINC001140749227 816342945 /nfs/dbraw/zinc/34/29/45/816342945.db2.gz SDVXLYILZJLFOE-UHFFFAOYSA-N 1 0 275.352 2.125 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(CO)C2)c(O)c1 ZINC001140850143 816383124 /nfs/dbraw/zinc/38/31/24/816383124.db2.gz DXXFVLAXTVOREK-KRWDZBQOSA-N 1 0 292.423 2.443 20 10 CECDRO Cc1ccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c(O)c1 ZINC001140950704 816424470 /nfs/dbraw/zinc/42/44/70/816424470.db2.gz DNCWTDAFQGOAOO-UPUJQMMVSA-N 1 0 259.349 2.310 20 10 CECDRO C[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCN3C)CC[C@@H]1O ZINC001141139942 816484427 /nfs/dbraw/zinc/48/44/27/816484427.db2.gz FWKAQRPFZADQLB-BBRMVZONSA-N 1 0 290.407 2.108 20 10 CECDRO CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141161184 816492142 /nfs/dbraw/zinc/49/21/42/816492142.db2.gz OCRCOEQBWICAJI-INIZCTEOSA-N 1 0 293.363 2.263 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCN(c3nccs3)CC2)c1 ZINC000123600315 816644773 /nfs/dbraw/zinc/64/47/73/816644773.db2.gz SLASMXLLLIHVAP-UHFFFAOYSA-N 1 0 289.404 2.479 20 10 CECDRO CCOc1ccc(CN2CCCC[C@](F)(C[NH3+])C2)c(O)c1 ZINC001206369838 816835986 /nfs/dbraw/zinc/83/59/86/816835986.db2.gz JAAVIICHRNWXSN-INIZCTEOSA-N 1 0 296.386 2.444 20 10 CECDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1c(O)cccc1Cl ZINC000125477470 365677305 /nfs/dbraw/zinc/67/73/05/365677305.db2.gz NDDVLVIBHHKFPX-VVVCHXIZSA-N 1 0 275.801 2.292 20 10 CECDRO CN(C)c1ccc(CNC(=O)CC[C@H]2CCC[NH2+]2)cc1F ZINC000292104153 282289897 /nfs/dbraw/zinc/28/98/97/282289897.db2.gz OSVBKIHMSVCEBQ-CYBMUJFWSA-N 1 0 293.386 2.040 20 10 CECDRO COc1cccc(C[NH2+]CCc2ccncc2)c1O ZINC000048261317 362252085 /nfs/dbraw/zinc/25/20/85/362252085.db2.gz ALLWRATZNSCAAI-UHFFFAOYSA-N 1 0 258.321 2.128 20 10 CECDRO C[N@H+](CCCn1ccnc1)Cc1cc(F)ccc1O ZINC000290625215 344684340 /nfs/dbraw/zinc/68/43/40/344684340.db2.gz XNZNQTSQQWBITL-UHFFFAOYSA-N 1 0 263.316 2.250 20 10 CECDRO COC(=O)[C@]1(F)CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000074723041 363376912 /nfs/dbraw/zinc/37/69/12/363376912.db2.gz LMRMGPFVEDSYAB-HNNXBMFYSA-N 1 0 281.327 2.096 20 10 CECDRO CCCOc1ccc(CN2CC[C@@H]([NH+](C)C)C2)c(O)c1 ZINC000134182877 366295126 /nfs/dbraw/zinc/29/51/26/366295126.db2.gz CPMYTTYPZADFOK-CQSZACIVSA-N 1 0 278.396 2.317 20 10 CECDRO C[C@@H](CO)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000134914758 366372314 /nfs/dbraw/zinc/37/23/14/366372314.db2.gz NCZHVIVGDKDCCY-RKDXNWHRSA-N 1 0 288.185 2.434 20 10 CECDRO NC(=O)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCCC1 ZINC000297651865 283280345 /nfs/dbraw/zinc/28/03/45/283280345.db2.gz KFWKSASYKRPRHY-LBPRGKRZSA-N 1 0 274.364 2.015 20 10 CECDRO C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccccc1O ZINC000020120632 361581044 /nfs/dbraw/zinc/58/10/44/361581044.db2.gz POWRSMWVUPNNKJ-ZDUSSCGKSA-N 1 0 278.396 2.154 20 10 CECDRO CCOc1cccc(CN2CCC[C@@H]([NH+](C)C)C2)c1O ZINC000156072861 366827373 /nfs/dbraw/zinc/82/73/73/366827373.db2.gz AGIUXZGIVVQRFD-CQSZACIVSA-N 1 0 278.396 2.317 20 10 CECDRO CCCOc1ccc(C[N@H+](C)[C@H]2CCOC2)c(O)c1 ZINC000156099435 366827348 /nfs/dbraw/zinc/82/73/48/366827348.db2.gz RJQWJNJDAIFVSS-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000092018208 364074811 /nfs/dbraw/zinc/07/48/11/364074811.db2.gz FYCAOYSGLMRZAK-RYUDHWBXSA-N 1 0 265.353 2.400 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000093820663 364233575 /nfs/dbraw/zinc/23/35/75/364233575.db2.gz CAPHPLFFLRHYAN-MRXNPFEDSA-N 1 0 277.364 2.403 20 10 CECDRO CCOc1cccc(C[NH2+]CC2CCOCC2)c1O ZINC000110904309 364724570 /nfs/dbraw/zinc/72/45/70/364724570.db2.gz WATMVAMKHWBNCY-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO Cc1nn(C)c(C)c1C[N@H+](C)Cc1ccccc1O ZINC000111236189 364725384 /nfs/dbraw/zinc/72/53/84/364725384.db2.gz JOXKSICMZOTBIS-UHFFFAOYSA-N 1 0 259.353 2.375 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@](C)(O)CCOC)c(O)c1 ZINC000172069791 367667782 /nfs/dbraw/zinc/66/77/82/367667782.db2.gz CCVCRQZOBXLZOX-MRXNPFEDSA-N 1 0 297.395 2.058 20 10 CECDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(C)c3O)[C@@H]2C1 ZINC000245871588 370881877 /nfs/dbraw/zinc/88/18/77/370881877.db2.gz RUESITPTPINVBL-OAGGEKHMSA-N 1 0 291.391 2.469 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@H](C)O1 ZINC000179855151 368355538 /nfs/dbraw/zinc/35/55/38/368355538.db2.gz JEUQCFWQYVHOTK-AAEUAGOBSA-N 1 0 265.353 2.400 20 10 CECDRO Cc1cccc(CN(C)CC(=O)OC(C)(C)C)c1O ZINC000179945673 368360126 /nfs/dbraw/zinc/36/01/26/368360126.db2.gz YJZRIMUMVLTWKK-UHFFFAOYSA-N 1 0 265.353 2.474 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000180057281 368366104 /nfs/dbraw/zinc/36/61/04/368366104.db2.gz CJAQXPYHYOAAJM-UHFFFAOYSA-N 1 0 281.327 2.116 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)NC(C)C)c(O)c1 ZINC000181270216 368439137 /nfs/dbraw/zinc/43/91/37/368439137.db2.gz YZGGXOZHFBTXAW-LBPRGKRZSA-N 1 0 264.369 2.266 20 10 CECDRO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cc(F)ccc1O ZINC000185705614 368847617 /nfs/dbraw/zinc/84/76/17/368847617.db2.gz QWDDTBJWKLMDEW-AAEUAGOBSA-N 1 0 283.343 2.378 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C[C@H]1C ZINC000188118427 369300550 /nfs/dbraw/zinc/30/05/50/369300550.db2.gz MAGWYKDXVCDNSP-TZMCWYRMSA-N 1 0 277.364 2.332 20 10 CECDRO [NH3+][C@H]1CC=C(C(=O)N2CC3(CC3)c3ccccc32)C1 ZINC000638008177 370235291 /nfs/dbraw/zinc/23/52/91/370235291.db2.gz RUMOATLVWNHLEQ-LBPRGKRZSA-N 1 0 254.333 2.112 20 10 CECDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000226251058 370332138 /nfs/dbraw/zinc/33/21/38/370332138.db2.gz PVGWGPALDPJKRX-OAHLLOKOSA-N 1 0 250.386 2.393 20 10 CECDRO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cccc(C)c1O ZINC000248846966 371255293 /nfs/dbraw/zinc/25/52/93/371255293.db2.gz PIEHNMUCQYYQEJ-QEJZJMRPSA-N 1 0 289.375 2.474 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CCO)COC)c1ccc(N(C)C)cc1 ZINC000269048540 372326041 /nfs/dbraw/zinc/32/60/41/372326041.db2.gz WYAHFYQIAKKAJD-GOEBONIOSA-N 1 0 280.412 2.191 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(F)ccc1O ZINC000367687696 373180777 /nfs/dbraw/zinc/18/07/77/373180777.db2.gz LHGRVKPPMIBDMO-ZBPZKIAKSA-N 1 0 251.301 2.074 20 10 CECDRO CCCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)c(O)c1 ZINC000271279554 373187152 /nfs/dbraw/zinc/18/71/52/373187152.db2.gz LTBPWZQOCBBGRX-BLLLJJGKSA-N 1 0 279.380 2.384 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1O ZINC000271380873 373190584 /nfs/dbraw/zinc/19/05/84/373190584.db2.gz DJKHFBDQHBCCFZ-ZDUSSCGKSA-N 1 0 293.363 2.176 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000271450586 373191829 /nfs/dbraw/zinc/19/18/29/373191829.db2.gz RTBMTRUNWYIOEI-AWEZNQCLSA-N 1 0 277.364 2.476 20 10 CECDRO C[N@@H+]1CCN(Cc2cc(F)ccc2O)C(C)(C)C1 ZINC000272230558 373373875 /nfs/dbraw/zinc/37/38/75/373373875.db2.gz DUTJEPKAONJTOV-UHFFFAOYSA-N 1 0 252.333 2.057 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1F ZINC000272661927 373604925 /nfs/dbraw/zinc/60/49/25/373604925.db2.gz ROGNXQDOMWYEJP-RHSMWYFYSA-N 1 0 291.414 2.418 20 10 CECDRO COC[C@H](O)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273347915 373751203 /nfs/dbraw/zinc/75/12/03/373751203.db2.gz BBHLHQWMNUBPDS-CHWSQXEVSA-N 1 0 267.369 2.057 20 10 CECDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273392028 373755936 /nfs/dbraw/zinc/75/59/36/373755936.db2.gz LBFPGJGANNTBTL-NWDGAFQWSA-N 1 0 290.407 2.446 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c1 ZINC000371412436 373872869 /nfs/dbraw/zinc/87/28/69/373872869.db2.gz GTHMWTQISWVFBJ-CFVMTHIKSA-N 1 0 288.391 2.319 20 10 CECDRO CN(C)c1ccc(C2=CCN(C(=O)/C=C/C[NH+](C)C)C2)cc1 ZINC000371612888 373933602 /nfs/dbraw/zinc/93/36/02/373933602.db2.gz XDFFETGOBLVHFO-AATRIKPKSA-N 1 0 299.418 2.096 20 10 CECDRO C[C@@H](N[C@H](C)c1ccc(F)cc1O)c1ncn(C)n1 ZINC000275802446 374221325 /nfs/dbraw/zinc/22/13/25/374221325.db2.gz YNGJADDUCWSGBN-RKDXNWHRSA-N 1 0 264.304 2.072 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCCOCC2)cc1F ZINC000374325989 374542081 /nfs/dbraw/zinc/54/20/81/374542081.db2.gz QRECGUXSDFPPHP-UHFFFAOYSA-N 1 0 252.333 2.114 20 10 CECDRO C[S@](=O)C1(C[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000281685055 375392898 /nfs/dbraw/zinc/39/28/98/375392898.db2.gz BAHORAOOBDRKHX-SFHVURJKSA-N 1 0 287.812 2.436 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(N(C)C)cc1 ZINC000282821487 375586327 /nfs/dbraw/zinc/58/63/27/375586327.db2.gz RTXAMUAZWACFSH-WFASDCNBSA-N 1 0 295.402 2.268 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CC(=O)NC(C)C)c(O)c1 ZINC000284162728 375820011 /nfs/dbraw/zinc/82/00/11/375820011.db2.gz PXXRMOZKSABISR-LBPRGKRZSA-N 1 0 264.369 2.184 20 10 CECDRO C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccccc1O ZINC000284404826 375828187 /nfs/dbraw/zinc/82/81/87/375828187.db2.gz PYWXULUBIKXCAW-YWPYICTPSA-N 1 0 281.396 2.201 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CC(=O)NCC(F)F)c(O)c1 ZINC000285418670 375838214 /nfs/dbraw/zinc/83/82/14/375838214.db2.gz YCDORDXBTHSEAE-JTQLQIEISA-N 1 0 286.322 2.041 20 10 CECDRO Cc1noc(C(C)(C)NCc2cccc(C)c2O)n1 ZINC000285322675 375838354 /nfs/dbraw/zinc/83/83/54/375838354.db2.gz XBEFMNVGNVJCIP-UHFFFAOYSA-N 1 0 261.325 2.417 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000288507089 376378638 /nfs/dbraw/zinc/37/86/38/376378638.db2.gz ILPRUTUVFDXGPK-PBHICJAKSA-N 1 0 285.343 2.285 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)c1O ZINC000289123816 376386555 /nfs/dbraw/zinc/38/65/55/376386555.db2.gz XFHDNPOIZXVPTJ-JQWIXIFHSA-N 1 0 295.354 2.327 20 10 CECDRO C[C@H](O)c1ncc(C[NH2+]Cc2ccccc2O)s1 ZINC000289046695 376386712 /nfs/dbraw/zinc/38/67/12/376386712.db2.gz BBIHYPORPDZPKE-VIFPVBQESA-N 1 0 264.350 2.192 20 10 CECDRO O=C(NCCCCC[NH+]1CCCC1)c1cccc(O)c1O ZINC000294024008 377874862 /nfs/dbraw/zinc/87/48/62/377874862.db2.gz WBMRIHIMWMBBER-UHFFFAOYSA-N 1 0 292.379 2.094 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@@H](O)C(F)F ZINC000295071655 378038596 /nfs/dbraw/zinc/03/85/96/378038596.db2.gz PIEZKJMGJPLFAW-WCQYABFASA-N 1 0 273.323 2.498 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](SC)C2)cc1OC ZINC000295132818 378043355 /nfs/dbraw/zinc/04/33/55/378043355.db2.gz YJKFLPNHJYYJHY-NSHDSACASA-N 1 0 283.393 2.347 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCN1CC=CCC1)CC2 ZINC000296616747 378593386 /nfs/dbraw/zinc/59/33/86/378593386.db2.gz YXIAQQOMAGNHKO-CQSZACIVSA-N 1 0 258.365 2.231 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCCO[C@H]1CCOC1)CC2 ZINC000297540138 378686701 /nfs/dbraw/zinc/68/67/01/378686701.db2.gz DYWBIMHDKVUDBG-KBPBESRZSA-N 1 0 277.364 2.165 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1OC ZINC000529670092 380183551 /nfs/dbraw/zinc/18/35/51/380183551.db2.gz QZIPGNKCCZAXDU-UDKBDQPSSA-N 1 0 295.379 2.311 20 10 CECDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000230161405 394478995 /nfs/dbraw/zinc/47/89/95/394478995.db2.gz QRQYNTSWRMOXIV-CYBMUJFWSA-N 1 0 250.386 2.251 20 10 CECDRO COCCOC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000093339278 394664149 /nfs/dbraw/zinc/66/41/49/394664149.db2.gz RAUONHCXDMPJMM-UHFFFAOYSA-N 1 0 292.423 2.380 20 10 CECDRO CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+](CC)CC ZINC000265460176 394649430 /nfs/dbraw/zinc/64/94/30/394649430.db2.gz XGINRYORPVLXQH-INIZCTEOSA-N 1 0 291.439 2.489 20 10 CECDRO COC[C@H](C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000271122793 394747741 /nfs/dbraw/zinc/74/77/41/394747741.db2.gz KZQAUZQUMVAZFW-NSHDSACASA-N 1 0 254.349 2.358 20 10 CECDRO CC[C@H](C)[NH+]1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000133822062 394955256 /nfs/dbraw/zinc/95/52/56/394955256.db2.gz HUVPOMRJNBDBQX-ZDUSSCGKSA-N 1 0 278.396 2.317 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccccc2O)C[C@]2(CCOC2)O1 ZINC000373483715 395061861 /nfs/dbraw/zinc/06/18/61/395061861.db2.gz VUEYXNMJDVPQFJ-ZBFHGGJFSA-N 1 0 277.364 2.162 20 10 CECDRO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1O ZINC000374282964 395078690 /nfs/dbraw/zinc/07/86/90/395078690.db2.gz KCOIFDHMTJSNGG-XBFCOCLRSA-N 1 0 274.364 2.011 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000178711269 395172449 /nfs/dbraw/zinc/17/24/49/395172449.db2.gz QPUFAUMGHFUXOT-MRXNPFEDSA-N 1 0 289.423 2.291 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000178711250 395172599 /nfs/dbraw/zinc/17/25/99/395172599.db2.gz RLRYBHOENBKURP-HNNXBMFYSA-N 1 0 289.423 2.149 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2cnn(C)c2)c1 ZINC000182372224 395240886 /nfs/dbraw/zinc/24/08/86/395240886.db2.gz NZVMPQUDMHMMTC-GFCCVEGCSA-N 1 0 289.379 2.418 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000182653510 395246362 /nfs/dbraw/zinc/24/63/62/395246362.db2.gz QRLHYZKVTOCBBL-SFHVURJKSA-N 1 0 299.370 2.324 20 10 CECDRO O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccccc2O)CCN1 ZINC000179561436 395194809 /nfs/dbraw/zinc/19/48/09/395194809.db2.gz GFFBXMYBMFSMOB-MRXNPFEDSA-N 1 0 296.370 2.455 20 10 CECDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179565696 395194850 /nfs/dbraw/zinc/19/48/50/395194850.db2.gz KWCZNHKCVNFCJA-AWEZNQCLSA-N 1 0 290.407 2.376 20 10 CECDRO CC(C)C(=O)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179561922 395194989 /nfs/dbraw/zinc/19/49/89/395194989.db2.gz KOXJCJOBKWJKSR-UHFFFAOYSA-N 1 0 276.380 2.083 20 10 CECDRO CC[NH+](CC)CCN(CCOC)Cc1ccccc1O ZINC000179570678 395196639 /nfs/dbraw/zinc/19/66/39/395196639.db2.gz XXDAFSBUQDCBIG-UHFFFAOYSA-N 1 0 280.412 2.182 20 10 CECDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000193886340 395417921 /nfs/dbraw/zinc/41/79/21/395417921.db2.gz HNBOMDFUJUJMDN-SDDRHHMPSA-N 1 0 263.337 2.385 20 10 CECDRO C=Cn1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)cn1 ZINC000194273821 395430430 /nfs/dbraw/zinc/43/04/30/395430430.db2.gz BLJNICDMCFBLGY-UHFFFAOYSA-N 1 0 274.343 2.479 20 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ZLLUQUQUHACEAD-INIZCTEOSA-N 1 0 276.380 2.138 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000152451042 261064410 /nfs/dbraw/zinc/06/44/10/261064410.db2.gz CIAMCBCNGCWLQU-QPUJVOFHSA-N 1 0 275.801 2.248 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1C ZINC000153141419 261074267 /nfs/dbraw/zinc/07/42/67/261074267.db2.gz PNWFCWFPXVTYBI-CQSZACIVSA-N 1 0 262.397 2.393 20 10 CECDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000154010361 261086678 /nfs/dbraw/zinc/08/66/78/261086678.db2.gz XRPTWACNSOSLQL-AWEZNQCLSA-N 1 0 292.379 2.411 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccccc1O ZINC000155587309 261104068 /nfs/dbraw/zinc/10/40/68/261104068.db2.gz VHMMPXHOLIFALG-GXTWGEPZSA-N 1 0 286.379 2.348 20 10 CECDRO CCOCC[N@H+](CC)Cc1cc(OC)ccc1O ZINC000156022293 261111543 /nfs/dbraw/zinc/11/15/43/261111543.db2.gz WIROZGVAXFDGPI-UHFFFAOYSA-N 1 0 253.342 2.259 20 10 CECDRO CC[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[NH+](C)C ZINC000156319269 261120143 /nfs/dbraw/zinc/12/01/43/261120143.db2.gz NBKRAXSNDQMRMY-HNNXBMFYSA-N 1 0 290.407 2.227 20 10 CECDRO CC[C@@H]([NH2+]CC(=O)NC(C)C)c1ccc(N(C)C)cc1 ZINC000160953776 261232629 /nfs/dbraw/zinc/23/26/29/261232629.db2.gz YMJPHAWQFDQAFY-OAHLLOKOSA-N 1 0 277.412 2.318 20 10 CECDRO CC(=O)NCCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184921859 262034386 /nfs/dbraw/zinc/03/43/86/262034386.db2.gz XIFBZKUPOIOYHM-LBPRGKRZSA-N 1 0 290.407 2.448 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCC(O)CC2)c1 ZINC000185116004 262041979 /nfs/dbraw/zinc/04/19/79/262041979.db2.gz SLFSAJNAACKOHH-CQSZACIVSA-N 1 0 292.423 2.198 20 10 CECDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)CC2 ZINC000185318300 262051022 /nfs/dbraw/zinc/05/10/22/262051022.db2.gz XUBWENHTKWTETL-CABZTGNLSA-N 1 0 290.342 2.097 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000185638542 262063521 /nfs/dbraw/zinc/06/35/21/262063521.db2.gz WDXJKCBEJXTYDL-FZMZJTMJSA-N 1 0 267.394 2.219 20 10 CECDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185674132 262066129 /nfs/dbraw/zinc/06/61/29/262066129.db2.gz YSKWLTZHDGPNJF-NTZNESFSSA-N 1 0 283.343 2.376 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)ccc1O ZINC000186088246 262078839 /nfs/dbraw/zinc/07/88/39/262078839.db2.gz XLGDHNIPKOQBBG-GXSJLCMTSA-N 1 0 294.782 2.460 20 10 CECDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000186110852 262079896 /nfs/dbraw/zinc/07/98/96/262079896.db2.gz AIWLSAUPPXWWLJ-QWHCGFSZSA-N 1 0 291.395 2.155 20 10 CECDRO C[C@H]([NH2+]CCCOCCO)c1cc(Cl)ccc1O ZINC000186513864 262096411 /nfs/dbraw/zinc/09/64/11/262096411.db2.gz HDQUITMSZLWVKY-JTQLQIEISA-N 1 0 273.760 2.095 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)[C@@H](CO)SC)c1 ZINC000185511168 262305971 /nfs/dbraw/zinc/30/59/71/262305971.db2.gz RMNQWWXXRQMGQT-GPCCPHFNSA-N 1 0 285.409 2.164 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(O)c1 ZINC000368331294 267163286 /nfs/dbraw/zinc/16/32/86/267163286.db2.gz JCAVBSZALRJZPK-COMQUAJESA-N 1 0 288.391 2.361 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c(O)c1 ZINC000368334611 267163686 /nfs/dbraw/zinc/16/36/86/267163686.db2.gz WEOLCEVXZKTLFZ-ZFWWWQNUSA-N 1 0 290.407 2.214 20 10 CECDRO COc1ccc(N2CCC([N@H+](C)CCCCO)CC2)cc1 ZINC000369816184 267268866 /nfs/dbraw/zinc/26/88/66/267268866.db2.gz PPYYLFHTZGZGRD-UHFFFAOYSA-N 1 0 292.423 2.368 20 10 CECDRO Oc1ccccc1C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000134116558 275061592 /nfs/dbraw/zinc/06/15/92/275061592.db2.gz XDPDRODSVOIEAB-HNNXBMFYSA-N 1 0 260.381 2.452 20 10 CECDRO COc1cccc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1O ZINC000289698716 278011328 /nfs/dbraw/zinc/01/13/28/278011328.db2.gz OLWJJLGCBULLNZ-ZFWWWQNUSA-N 1 0 290.407 2.459 20 10 CECDRO C[C@@H](Cn1cccn1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296686116 278301515 /nfs/dbraw/zinc/30/15/15/278301515.db2.gz GWVUHQMARXSWQO-AAEUAGOBSA-N 1 0 257.337 2.254 20 10 CECDRO C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000235677342 300396365 /nfs/dbraw/zinc/39/63/65/300396365.db2.gz OGBWCCIRLOTISY-ZFWWWQNUSA-N 1 0 289.423 2.099 20 10 CECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(OCC)ccc1O ZINC000185823177 327846732 /nfs/dbraw/zinc/84/67/32/327846732.db2.gz VARILYGDBGTOQW-LQPUYASZSA-N 1 0 265.353 2.208 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)c2ccco2)cc1F ZINC000266127250 328167968 /nfs/dbraw/zinc/16/79/68/328167968.db2.gz BXXYIJGJLBZAHP-MRXNPFEDSA-N 1 0 292.354 2.482 20 10 CECDRO CCC[C@@]1([NH2+]Cc2cc(OC)c(OC)cc2O)CCOC1 ZINC000289947686 328256850 /nfs/dbraw/zinc/25/68/50/328256850.db2.gz YNIKSNRSVHEDSH-MRXNPFEDSA-N 1 0 295.379 2.458 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cnn(C)c2)c1 ZINC000148785425 328416307 /nfs/dbraw/zinc/41/63/07/328416307.db2.gz SPGYYTCWGBRCGG-LLVKDONJSA-N 1 0 275.352 2.028 20 10 CECDRO C[NH+](C)C1(C(=O)Nc2ccc(N)cc2)Cc2ccccc2C1 ZINC000378184521 329042638 /nfs/dbraw/zinc/04/26/38/329042638.db2.gz POTNTYNGQFWHJC-UHFFFAOYSA-N 1 0 295.386 2.307 20 10 CECDRO O=C(c1ccc[nH]1)N1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000378373060 329047871 /nfs/dbraw/zinc/04/78/71/329047871.db2.gz WTABTSPTWXLRKU-UHFFFAOYSA-N 1 0 299.374 2.068 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(F)cc1[O-] ZINC000186115021 329338148 /nfs/dbraw/zinc/33/81/48/329338148.db2.gz KHFJJLONKLMDMN-JOYOIKCWSA-N 1 0 275.327 2.463 20 10 CECDRO Oc1ccccc1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189898251 329388272 /nfs/dbraw/zinc/38/82/72/329388272.db2.gz KWEWDGXJQBUCTL-UHFFFAOYSA-N 1 0 298.390 2.315 20 10 CECDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000292995100 330015547 /nfs/dbraw/zinc/01/55/47/330015547.db2.gz MOKVDKDILDYBOV-WBMJQRKESA-N 1 0 261.365 2.262 20 10 CECDRO CCn1nncc1C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000527917234 330295149 /nfs/dbraw/zinc/29/51/49/330295149.db2.gz RXKWUEBQHBYBIP-LBPRGKRZSA-N 1 0 274.368 2.471 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCO1 ZINC000219883889 333158731 /nfs/dbraw/zinc/15/87/31/333158731.db2.gz DHEOBSCUXLNUEZ-WFASDCNBSA-N 1 0 260.381 2.336 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCN2C)c1O ZINC000230934234 333322597 /nfs/dbraw/zinc/32/25/97/333322597.db2.gz WKDWJSJFGWZHDU-LBPRGKRZSA-N 1 0 284.787 2.238 20 10 CECDRO CC[N@@H+]1CCN(Cc2cccc(F)c2O)[C@H](C)C1 ZINC000289863817 521689341 /nfs/dbraw/zinc/68/93/41/521689341.db2.gz VNDCJBLCRTXFGI-LLVKDONJSA-N 1 0 252.333 2.057 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CC2=CCCOC2)c1O ZINC000289986333 522540877 /nfs/dbraw/zinc/54/08/77/522540877.db2.gz BYMKSZNDVKRZBL-UHFFFAOYSA-N 1 0 283.755 2.491 20 10 CECDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000280939286 519552687 /nfs/dbraw/zinc/55/26/87/519552687.db2.gz IQTDKULOWHSPQL-GXTWGEPZSA-N 1 0 276.380 2.301 20 10 CECDRO CCCC[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000072816381 520397327 /nfs/dbraw/zinc/39/73/27/520397327.db2.gz IKSCGAKGKMQZER-UHFFFAOYSA-N 1 0 277.412 2.101 20 10 CECDRO CCOC(=O)N1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000071406285 520930739 /nfs/dbraw/zinc/93/07/39/520930739.db2.gz OUPMBDSXTBFBOD-UHFFFAOYSA-N 1 0 292.379 2.411 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2CCOC)c1 ZINC000291191181 521146473 /nfs/dbraw/zinc/14/64/73/521146473.db2.gz GQQTWEITILEACM-AWEZNQCLSA-N 1 0 295.379 2.028 20 10 CECDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)C[C@@H](C)OC ZINC000291105870 521329722 /nfs/dbraw/zinc/32/97/22/521329722.db2.gz SCVCCTFNHRRPPQ-SNVBAGLBSA-N 1 0 298.339 2.166 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](OC)C2)c1O ZINC000233821221 521345337 /nfs/dbraw/zinc/34/53/37/521345337.db2.gz TXXZQSYKVSYCQG-LBPRGKRZSA-N 1 0 251.326 2.012 20 10 CECDRO CCOc1cccc(C[NH2+]CC2(O)CCCC2)c1O ZINC000096479108 521362027 /nfs/dbraw/zinc/36/20/27/521362027.db2.gz KNTZWBFILGEQQI-UHFFFAOYSA-N 1 0 265.353 2.186 20 10 CECDRO CCC(O)(CC)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000069160702 521656153 /nfs/dbraw/zinc/65/61/53/521656153.db2.gz JYJLZWDVIBXKQX-UHFFFAOYSA-N 1 0 250.386 2.393 20 10 CECDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000236893905 521949522 /nfs/dbraw/zinc/94/95/22/521949522.db2.gz PCFOCCFBHSPRLE-LRDDRELGSA-N 1 0 289.423 2.059 20 10 CECDRO CN(C)c1ccc(CN2CC[NH+](C3CC3)CC2)cc1 ZINC000127873794 522180891 /nfs/dbraw/zinc/18/08/91/522180891.db2.gz PNBJWHMFOFJMSF-UHFFFAOYSA-N 1 0 259.397 2.033 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC(=O)N2CCCCC2)cc1 ZINC000069715499 522204439 /nfs/dbraw/zinc/20/44/39/522204439.db2.gz LZQGMJBQSPJSTB-UHFFFAOYSA-N 1 0 289.423 2.245 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1ccccc1O ZINC000274896960 522710229 /nfs/dbraw/zinc/71/02/29/522710229.db2.gz KKEIOEODQYCGTR-OCCSQVGLSA-N 1 0 276.380 2.442 20 10 CECDRO COC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268893235 522803608 /nfs/dbraw/zinc/80/36/08/522803608.db2.gz KCFRMSNIOLUBLR-WMLDXEAASA-N 1 0 292.423 2.335 20 10 CECDRO CC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000292773293 523344186 /nfs/dbraw/zinc/34/41/86/523344186.db2.gz KQXBKSGKYSWMNS-SNVBAGLBSA-N 1 0 266.297 2.293 20 10 CECDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000279459412 523966293 /nfs/dbraw/zinc/96/62/93/523966293.db2.gz QXRNVLJHWHMZFZ-UONOGXRCSA-N 1 0 277.364 2.435 20 10 CECDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(F)ccc1O ZINC000289777719 524023654 /nfs/dbraw/zinc/02/36/54/524023654.db2.gz RNLBQEWWDFBERV-RLTXXFFMSA-N 1 0 277.339 2.387 20 10 CECDRO COc1ccc(C[NH2+]CCN2CCOC(C)(C)C2)cc1C ZINC000264396431 524070409 /nfs/dbraw/zinc/07/04/09/524070409.db2.gz UNXHSPVJDJGOLT-UHFFFAOYSA-N 1 0 292.423 2.204 20 10 CECDRO Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)c(C)n1-c1ccccc1C ZINC000127745943 524153068 /nfs/dbraw/zinc/15/30/68/524153068.db2.gz ORSRPUQRRZVFJL-HNNXBMFYSA-N 1 0 297.402 2.494 20 10 CECDRO C[C@@H](C(=O)NCCc1ccc(N)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000262583166 524190309 /nfs/dbraw/zinc/19/03/09/524190309.db2.gz RJMFASYWBCUFBX-CXAGYDPISA-N 1 0 297.402 2.264 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c(O)c1 ZINC000285447653 524332917 /nfs/dbraw/zinc/33/29/17/524332917.db2.gz ZHXVNIJRWSBLMV-HEHGZKQESA-N 1 0 279.380 2.200 20 10 CECDRO Cc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000280370261 524409794 /nfs/dbraw/zinc/40/97/94/524409794.db2.gz DJSZNYLNNUBOJE-GRDNDAEWSA-N 1 0 291.391 2.469 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1 ZINC000280468448 524748196 /nfs/dbraw/zinc/74/81/96/524748196.db2.gz CINXODORQOFUPV-BZNIZROVSA-N 1 0 277.364 2.400 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1 ZINC000037157737 524767260 /nfs/dbraw/zinc/76/72/60/524767260.db2.gz IKGIKPQDVNQYCH-NWDGAFQWSA-N 1 0 275.352 2.337 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)cc1C ZINC000277442679 525320549 /nfs/dbraw/zinc/32/05/49/525320549.db2.gz KEOYKJGADDLXAU-NSPYISDASA-N 1 0 281.421 2.209 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC000278634148 525343831 /nfs/dbraw/zinc/34/38/31/525343831.db2.gz IJGGHNXSJSICPO-AWEZNQCLSA-N 1 0 297.420 2.100 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c(O)c1 ZINC000297385146 525745237 /nfs/dbraw/zinc/74/52/37/525745237.db2.gz RKLJQYVQGIUJOI-HUUCEWRRSA-N 1 0 292.423 2.198 20 10 CECDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000127667140 525762527 /nfs/dbraw/zinc/76/25/27/525762527.db2.gz XBBRVLDMGLQARD-LLVKDONJSA-N 1 0 254.349 2.094 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000290270829 526351270 /nfs/dbraw/zinc/35/12/70/526351270.db2.gz XVULRCQUPRLMSQ-BBRMVZONSA-N 1 0 289.306 2.116 20 10 CECDRO NC(=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CCCC1 ZINC000265649799 526847201 /nfs/dbraw/zinc/84/72/01/526847201.db2.gz YEUMWYXVGOLIBL-UHFFFAOYSA-N 1 0 282.771 2.181 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@]2(C)CCOC2)c(O)c1 ZINC000733327627 574664518 /nfs/dbraw/zinc/66/45/18/574664518.db2.gz JGUQNCKMPCHYTL-OAHLLOKOSA-N 1 0 265.353 2.307 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H](OC)C(F)(F)F)c1O ZINC000733330137 574665088 /nfs/dbraw/zinc/66/50/88/574665088.db2.gz OWXPYIMHOJIPBL-SNVBAGLBSA-N 1 0 279.258 2.068 20 10 CECDRO Oc1ccccc1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000733331052 574665162 /nfs/dbraw/zinc/66/51/62/574665162.db2.gz YJSJATSVFXUWSH-MRXNPFEDSA-N 1 0 290.407 2.125 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756576479 574821956 /nfs/dbraw/zinc/82/19/56/574821956.db2.gz NMHGRFZBHKLJLI-NOZJJQNGSA-N 1 0 273.760 2.094 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c(O)c1 ZINC000742374628 575017813 /nfs/dbraw/zinc/01/78/13/575017813.db2.gz AQWZPBLGNVLUPS-JSGCOSHPSA-N 1 0 278.396 2.363 20 10 CECDRO CCOc1ccc(C[NH2+]C(C)(C)CCO)c(O)c1 ZINC000742380500 575018547 /nfs/dbraw/zinc/01/85/47/575018547.db2.gz OOVUNJBQRXJUKW-UHFFFAOYSA-N 1 0 253.342 2.042 20 10 CECDRO O=C(C[NH2+][C@H]1CCc2cccc(O)c21)NCc1ccccc1 ZINC000309720418 625293774 /nfs/dbraw/zinc/29/37/74/625293774.db2.gz NNPJHBQZCZHSFL-HNNXBMFYSA-N 1 0 296.370 2.286 20 10 CECDRO CC[NH+](CC)CCNC(=O)NCc1cccc(Cl)c1O ZINC000891415101 623612673 /nfs/dbraw/zinc/61/26/73/623612673.db2.gz FDJITTHVVZGGAP-UHFFFAOYSA-N 1 0 299.802 2.187 20 10 CECDRO CCOCC[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000092885354 623711836 /nfs/dbraw/zinc/71/18/36/623711836.db2.gz UAACBKFKDNHOIK-UHFFFAOYSA-N 1 0 253.342 2.178 20 10 CECDRO CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891464892 623726160 /nfs/dbraw/zinc/72/61/60/623726160.db2.gz LFJJWEKFXNMVAL-HNNXBMFYSA-N 1 0 292.427 2.065 20 10 CECDRO C[C@H](NC(=O)NCC1([NH3+])CCCCC1)c1ccccc1O ZINC000891976626 624220465 /nfs/dbraw/zinc/22/04/65/624220465.db2.gz FMLPTROJYPMTGB-LBPRGKRZSA-N 1 0 291.395 2.414 20 10 CECDRO COc1ccc(C[N@H+](C)C2CCC2)c(O)c1OC ZINC000892059147 624284376 /nfs/dbraw/zinc/28/43/76/624284376.db2.gz XALIEIQIWADTRX-UHFFFAOYSA-N 1 0 251.326 2.394 20 10 CECDRO CCN(CC)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000045693394 624503861 /nfs/dbraw/zinc/50/38/61/624503861.db2.gz HXXHBKYQXVTORK-ZDUSSCGKSA-N 1 0 262.397 2.441 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](CC)CCO)cc1F ZINC000158658764 624587499 /nfs/dbraw/zinc/58/74/99/624587499.db2.gz YSMAJGOOWCSWGX-UHFFFAOYSA-N 1 0 268.376 2.486 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCOC[C@@H]2C)c1O ZINC000311520582 627674725 /nfs/dbraw/zinc/67/47/25/627674725.db2.gz VLSHYDNGTZJHOM-AAEUAGOBSA-N 1 0 265.353 2.306 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)C2CC2)c1 ZINC000311694746 627691306 /nfs/dbraw/zinc/69/13/06/627691306.db2.gz SVOXSPGLBPRYOL-BMIGLBTASA-N 1 0 265.353 2.212 20 10 CECDRO CCCCC[N@H+](CC(N)=O)Cc1cccc(OCC)c1O ZINC000180802790 628094212 /nfs/dbraw/zinc/09/42/12/628094212.db2.gz CUKRKOSTUOTXDB-UHFFFAOYSA-N 1 0 294.395 2.268 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)c(O)c1OC ZINC000893285321 628243963 /nfs/dbraw/zinc/24/39/63/628243963.db2.gz NATCHUWBJIPYSX-AAEUAGOBSA-N 1 0 295.379 2.314 20 10 CECDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2O)CC1 ZINC000186354759 628250497 /nfs/dbraw/zinc/25/04/97/628250497.db2.gz RHXWIZRSYHBEQV-GFCCVEGCSA-N 1 0 292.379 2.349 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c(O)c1OC ZINC000893296863 628266067 /nfs/dbraw/zinc/26/60/67/628266067.db2.gz FRPYYYAIHOMXNY-NWDGAFQWSA-N 1 0 295.379 2.314 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCC(C)(C)O2)cc1OC ZINC000190253763 628329128 /nfs/dbraw/zinc/32/91/28/628329128.db2.gz NIXJENHKAYEHJL-GFCCVEGCSA-N 1 0 295.379 2.457 20 10 CECDRO CCCN(c1ccc(C[NH3+])cc1)C1CCN(C(C)=O)CC1 ZINC000194978248 628521666 /nfs/dbraw/zinc/52/16/66/628521666.db2.gz NAQUJLTVYVTTPA-UHFFFAOYSA-N 1 0 289.423 2.373 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn(C)cn2)c(O)c1 ZINC000313268394 628585698 /nfs/dbraw/zinc/58/56/98/628585698.db2.gz LVEURHFYIRZCSW-GFCCVEGCSA-N 1 0 259.353 2.327 20 10 CECDRO CCOC(C[NH2+][C@@H](C)c1ccccc1O)OCC ZINC000093447308 628659724 /nfs/dbraw/zinc/65/97/24/628659724.db2.gz SHDDDOBHMPNFQC-NSHDSACASA-N 1 0 253.342 2.442 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1([S@@](C)=O)CCC1 ZINC000840942595 628797725 /nfs/dbraw/zinc/79/77/25/628797725.db2.gz JFTOGJQFFCPUIE-HXUWFJFHSA-N 1 0 294.464 2.452 20 10 CECDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840949949 628844984 /nfs/dbraw/zinc/84/49/84/628844984.db2.gz DEIVAEOBTKNVSL-RDJZCZTQSA-N 1 0 292.423 2.202 20 10 CECDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840950800 628848668 /nfs/dbraw/zinc/84/86/68/628848668.db2.gz ODCIXEABQKFUHF-NHYWBVRUSA-N 1 0 299.798 2.495 20 10 CECDRO CCOc1cccc(C[NH2+]C(C)(C)COC)c1O ZINC000066995981 628887953 /nfs/dbraw/zinc/88/79/53/628887953.db2.gz ZNQBQSRKAFRJMR-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO C[C@@H]([NH2+]Cc1csc(N)n1)c1cc(F)ccc1O ZINC000902500430 634692578 /nfs/dbraw/zinc/69/25/78/634692578.db2.gz VKRBHDBESUUUMZ-SSDOTTSWSA-N 1 0 267.329 2.421 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCC(C)(C)O2)c(O)c1OC ZINC000893716843 628979257 /nfs/dbraw/zinc/97/92/57/628979257.db2.gz LBSZHEOTAIISGJ-GFCCVEGCSA-N 1 0 295.379 2.457 20 10 CECDRO COc1ccc(N2CC[NH+]([C@@H]3CC[C@H](OC)C3)CC2)cc1 ZINC000821386707 634706160 /nfs/dbraw/zinc/70/61/60/634706160.db2.gz MXPTUYABFQFZDN-WBVHZDCISA-N 1 0 290.407 2.385 20 10 CECDRO COc1ccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c(O)c1 ZINC000894185905 629196092 /nfs/dbraw/zinc/19/60/92/629196092.db2.gz UMBSDEGHUHAEAV-XOMBGVMMSA-N 1 0 277.364 2.448 20 10 CECDRO Cc1ccnc(N)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000894209165 629222313 /nfs/dbraw/zinc/22/23/13/629222313.db2.gz OTPUOZYCUZPKMG-UHFFFAOYSA-N 1 0 288.370 2.467 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCn2ccnc2C)c1O ZINC000894211207 629229599 /nfs/dbraw/zinc/22/95/99/629229599.db2.gz OQWINNGJLOQKTK-UHFFFAOYSA-N 1 0 275.352 2.004 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccnnc1 ZINC000924901255 629236234 /nfs/dbraw/zinc/23/62/34/629236234.db2.gz RGTSUFHWIOLLQQ-LLVKDONJSA-N 1 0 255.321 2.262 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000178900520 629265450 /nfs/dbraw/zinc/26/54/50/629265450.db2.gz BIFSFNSSMXSICC-MRXNPFEDSA-N 1 0 293.363 2.094 20 10 CECDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894532946 629517144 /nfs/dbraw/zinc/51/71/44/629517144.db2.gz LKVJZWPQBJNAGJ-INIZCTEOSA-N 1 0 279.380 2.446 20 10 CECDRO CN(Cc1ncc[nH]1)Cc1cc(Cl)ccc1O ZINC000894583482 629545641 /nfs/dbraw/zinc/54/56/41/629545641.db2.gz BHPYUKLHKJIAEB-UHFFFAOYSA-N 1 0 251.717 2.401 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000902629443 634752475 /nfs/dbraw/zinc/75/24/75/634752475.db2.gz DKFNVOHNVPPSFX-LBPRGKRZSA-N 1 0 279.380 2.265 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000894915993 629751864 /nfs/dbraw/zinc/75/18/64/629751864.db2.gz XZGTUGFRDZQWEM-LBPRGKRZSA-N 1 0 289.379 2.164 20 10 CECDRO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)N1Cc1cc(Cl)ccc1O ZINC000895113768 629913921 /nfs/dbraw/zinc/91/39/21/629913921.db2.gz KDCPPPUASINNGI-IVZWLZJFSA-N 1 0 282.771 2.143 20 10 CECDRO COC(=O)N1CCC(C[NH2+]Cc2cc(C)ccc2O)CC1 ZINC000796499951 629921295 /nfs/dbraw/zinc/92/12/95/629921295.db2.gz IZOLMIYTNRFKIN-UHFFFAOYSA-N 1 0 292.379 2.269 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCCCC[C@@H]2CO)c1 ZINC000895150219 629965285 /nfs/dbraw/zinc/96/52/85/629965285.db2.gz ICYCFIZLZFWMRL-CYBMUJFWSA-N 1 0 265.353 2.138 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCCCC[C@H]2CO)c1O ZINC000895151310 629967968 /nfs/dbraw/zinc/96/79/68/629967968.db2.gz SKYAXBZWXDIKCC-AWEZNQCLSA-N 1 0 279.380 2.446 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H](CO)CC2CC2)c1O ZINC000895278552 630075877 /nfs/dbraw/zinc/07/58/77/630075877.db2.gz MPUOCOHZCYOJFW-CYBMUJFWSA-N 1 0 279.380 2.207 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC(C)=NO2)c1 ZINC000895311845 630100255 /nfs/dbraw/zinc/10/02/55/630100255.db2.gz SFMRRQOGFHVQSK-ZDUSSCGKSA-N 1 0 264.325 2.045 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c1O ZINC000895345870 630127063 /nfs/dbraw/zinc/12/70/63/630127063.db2.gz WYTJJFAVKDWBDG-BLLLJJGKSA-N 1 0 279.380 2.160 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCOC2(C)C)c(O)c1OC ZINC000895455697 630199318 /nfs/dbraw/zinc/19/93/18/630199318.db2.gz CJIVLQVSPTWLNQ-GFCCVEGCSA-N 1 0 295.379 2.314 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000895571601 630252722 /nfs/dbraw/zinc/25/27/22/630252722.db2.gz JMQZPSXRVOYTHZ-OAHLLOKOSA-N 1 0 287.359 2.363 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000895586029 630261201 /nfs/dbraw/zinc/26/12/01/630261201.db2.gz PPJHZHJGVHJFDZ-CQSZACIVSA-N 1 0 275.348 2.234 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1F ZINC000895649451 630283834 /nfs/dbraw/zinc/28/38/34/630283834.db2.gz QPUFRZXMIHGVMF-CZUORRHYSA-N 1 0 278.371 2.239 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000895677197 630297036 /nfs/dbraw/zinc/29/70/36/630297036.db2.gz HVTQTFDEGKLLQE-SNVBAGLBSA-N 1 0 299.239 2.349 20 10 CECDRO Cc1ccc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c(O)c1 ZINC000895677329 630297140 /nfs/dbraw/zinc/29/71/40/630297140.db2.gz LKTKDLCFWHJXFH-SNVBAGLBSA-N 1 0 299.239 2.349 20 10 CECDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000895672157 630300287 /nfs/dbraw/zinc/30/02/87/630300287.db2.gz QHRYLWTZQPENDJ-MRXNPFEDSA-N 1 0 261.413 2.245 20 10 CECDRO Oc1cccc2c1C[N@@H+]([C@H]1CCC3(C[C@H]1F)OCCO3)C2 ZINC000895785421 630344175 /nfs/dbraw/zinc/34/41/75/630344175.db2.gz QJMZHMLGYULMBX-KGLIPLIRSA-N 1 0 293.338 2.342 20 10 CECDRO COC(OC)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000895790603 630345933 /nfs/dbraw/zinc/34/59/33/630345933.db2.gz SWSHEVBDCQCBIP-VIFPVBQESA-N 1 0 273.760 2.451 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000896556674 630597386 /nfs/dbraw/zinc/59/73/86/630597386.db2.gz ZGXDXQUQPLFMTL-CZUORRHYSA-N 1 0 261.413 2.243 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(OC(C)C)CCOC1 ZINC000896668143 630629244 /nfs/dbraw/zinc/62/92/44/630629244.db2.gz BQMXSNFDOFKUKG-INIZCTEOSA-N 1 0 279.380 2.374 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@]2(C)CCCCO2)cc1OC ZINC000896924848 630813702 /nfs/dbraw/zinc/81/37/02/630813702.db2.gz PMGMZWWBAKWPQB-MRXNPFEDSA-N 1 0 295.379 2.458 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000897020466 630887356 /nfs/dbraw/zinc/88/73/56/630887356.db2.gz GKRABMUBARKBNZ-CQSZACIVSA-N 1 0 290.363 2.021 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](CC)[C@@H](C)O)ccc1OC ZINC000824921470 635524808 /nfs/dbraw/zinc/52/48/08/635524808.db2.gz MHLUECNHJJYKNO-DOMZBBRYSA-N 1 0 281.396 2.481 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCNC2=O)cc1 ZINC000840827275 631137624 /nfs/dbraw/zinc/13/76/24/631137624.db2.gz GMTTUONEVDIXRV-ZFWWWQNUSA-N 1 0 289.423 2.320 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc1C(C)C ZINC000800861799 631149999 /nfs/dbraw/zinc/14/99/99/631149999.db2.gz FVUWBUSGMGIUPH-GASCZTMLSA-N 1 0 291.391 2.424 20 10 CECDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000897346071 631151174 /nfs/dbraw/zinc/15/11/74/631151174.db2.gz RCDPUMRSSONMCE-OAHLLOKOSA-N 1 0 290.407 2.403 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CC(C)(C)N(C)C)c1O ZINC000228669257 631213856 /nfs/dbraw/zinc/21/38/56/631213856.db2.gz WGFPEJJBNYRELV-UHFFFAOYSA-N 1 0 286.803 2.484 20 10 CECDRO CCC(CC)(CCO)[NH2+]Cc1cc(OC)ccc1O ZINC000802655709 631439509 /nfs/dbraw/zinc/43/95/09/631439509.db2.gz AKNTYQZEXBGZSF-UHFFFAOYSA-N 1 0 267.369 2.432 20 10 CECDRO COCCO[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000802652228 631440533 /nfs/dbraw/zinc/44/05/33/631440533.db2.gz ASJVPESJPQYLCM-OAHLLOKOSA-N 1 0 279.380 2.328 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(Cl)cc1O ZINC000841749092 631648923 /nfs/dbraw/zinc/64/89/23/631648923.db2.gz NEGSDDAYPPTWBW-MEBBXXQBSA-N 1 0 299.798 2.484 20 10 CECDRO C[C@H](CC(=O)Nc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC000237468198 631696180 /nfs/dbraw/zinc/69/61/80/631696180.db2.gz FKDRRVDWCAYFNR-NEPJUHHUSA-N 1 0 261.369 2.233 20 10 CECDRO CC[C@H]([NH2+]Cc1cnnn1C)c1cc(Cl)ccc1O ZINC000806660112 631762958 /nfs/dbraw/zinc/76/29/58/631762958.db2.gz QMUHEJVMKZFUPQ-LBPRGKRZSA-N 1 0 280.759 2.415 20 10 CECDRO C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843130011 631774252 /nfs/dbraw/zinc/77/42/52/631774252.db2.gz WODOWBATUACDEZ-YUMQZZPRSA-N 1 0 287.747 2.169 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@@H]1O ZINC000897681187 631865133 /nfs/dbraw/zinc/86/51/33/631865133.db2.gz YRUSVPLOFDNCNC-NHYWBVRUSA-N 1 0 257.333 2.358 20 10 CECDRO CC[N@H+](CCC(=O)NC)Cc1ccc(N(C)C)cc1C ZINC000897708931 631880586 /nfs/dbraw/zinc/88/05/86/631880586.db2.gz FTAWMPSXPXLTOS-UHFFFAOYSA-N 1 0 277.412 2.019 20 10 CECDRO CCc1cccc(C[NH2+]Cc2cnn(CCF)c2)c1O ZINC000897732309 631906743 /nfs/dbraw/zinc/90/67/43/631906743.db2.gz VJWAOTXAUORTOG-UHFFFAOYSA-N 1 0 277.343 2.410 20 10 CECDRO COCCOCC[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000808237133 631939676 /nfs/dbraw/zinc/93/96/76/631939676.db2.gz DJIZYYGUOZMKLZ-UHFFFAOYSA-N 1 0 267.369 2.104 20 10 CECDRO CN1CC[C@@H]2C[N@H+](Cc3cc4c(cc3O)CCC4)C[C@@H]21 ZINC000840133182 631945236 /nfs/dbraw/zinc/94/52/36/631945236.db2.gz PUUCCJJDUJBGBM-ZBFHGGJFSA-N 1 0 272.392 2.017 20 10 CECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cncs1 ZINC000897934297 631972064 /nfs/dbraw/zinc/97/20/64/631972064.db2.gz HDARWQVUAIXXRE-QMMMGPOBSA-N 1 0 278.333 2.428 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC(CCO)C2)c1 ZINC000898010570 632001281 /nfs/dbraw/zinc/00/12/81/632001281.db2.gz LVZCHZQRSKXRPP-UNXYVOJBSA-N 1 0 265.353 2.212 20 10 CECDRO COC[C@H](O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808709938 632004046 /nfs/dbraw/zinc/00/40/46/632004046.db2.gz JIMLKGZUGNTZQW-CMPLNLGQSA-N 1 0 287.787 2.402 20 10 CECDRO COC[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808717009 632005577 /nfs/dbraw/zinc/00/55/77/632005577.db2.gz BRDCSOWUGIKDBH-GXSJLCMTSA-N 1 0 273.760 2.012 20 10 CECDRO COc1nn(C)cc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000898028048 632022257 /nfs/dbraw/zinc/02/22/57/632022257.db2.gz HYFOJHQLTLWLTB-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCOC23CCOCC3)c1O ZINC000898116593 632056397 /nfs/dbraw/zinc/05/63/97/632056397.db2.gz RVBULDKTAWJYNQ-CQSZACIVSA-N 1 0 277.364 2.128 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CSC[C@@H]2C)cc1OC ZINC000809702971 632130423 /nfs/dbraw/zinc/13/04/23/632130423.db2.gz KUKPTVQOXKQUQH-ONGXEEELSA-N 1 0 283.393 2.251 20 10 CECDRO CCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000989834241 632248619 /nfs/dbraw/zinc/24/86/19/632248619.db2.gz SDIWDBWXGDIFBK-UHFFFAOYSA-N 1 0 290.407 2.494 20 10 CECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000898481801 632508709 /nfs/dbraw/zinc/50/87/09/632508709.db2.gz PTKYDHRDKIIBID-YPMHNXCESA-N 1 0 263.337 2.214 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH+]1CC(C2CC2)C1 ZINC000812775385 632575320 /nfs/dbraw/zinc/57/53/20/632575320.db2.gz LQEBFNKVRBDJFJ-UHFFFAOYSA-N 1 0 272.392 2.365 20 10 CECDRO CC[C@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000813885316 632751627 /nfs/dbraw/zinc/75/16/27/632751627.db2.gz SRANUMIRXQFOQA-ATZCPNFKSA-N 1 0 253.317 2.440 20 10 CECDRO Cc1cc(Cl)cc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c1O ZINC000814173407 632798690 /nfs/dbraw/zinc/79/86/90/632798690.db2.gz LDDRBYFARIUUOT-SMDDNHRTSA-N 1 0 280.799 2.490 20 10 CECDRO Cc1cc(Cl)cc(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1O ZINC000814173405 632799901 /nfs/dbraw/zinc/79/99/01/632799901.db2.gz LDDRBYFARIUUOT-FZMZJTMJSA-N 1 0 280.799 2.490 20 10 CECDRO CCOc1ccc(C[NH2+]C2(COC)CCOCC2)c(O)c1 ZINC000814302104 632822734 /nfs/dbraw/zinc/82/27/34/632822734.db2.gz OSXAYMYAYUHOJK-UHFFFAOYSA-N 1 0 295.379 2.076 20 10 CECDRO C[C@@](O)(C[NH2+]Cc1ccc(N2CC=CC2)cc1)C(F)F ZINC000905133952 635839864 /nfs/dbraw/zinc/83/98/64/635839864.db2.gz NBMYERXGPULEQN-OAHLLOKOSA-N 1 0 282.334 2.169 20 10 CECDRO CN(CCS(C)(=O)=O)Cc1ccc2ccccc2c1O ZINC000816487324 633398824 /nfs/dbraw/zinc/39/88/24/633398824.db2.gz JMTRVQFKMTXMQI-UHFFFAOYSA-N 1 0 293.388 2.022 20 10 CECDRO Oc1c(C[NH2+]CCN2CCC2)ccc2ccccc21 ZINC000816557922 633412179 /nfs/dbraw/zinc/41/21/79/633412179.db2.gz GUBXYFNWQSBFEZ-UHFFFAOYSA-N 1 0 256.349 2.341 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1O ZINC000817413143 633651766 /nfs/dbraw/zinc/65/17/66/633651766.db2.gz USJZTTXQUZTGMT-CHWSQXEVSA-N 1 0 279.380 2.241 20 10 CECDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000817413327 633651964 /nfs/dbraw/zinc/65/19/64/633651964.db2.gz WKPKYSJEJLZCIT-GHMZBOCLSA-N 1 0 269.772 2.496 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c1O ZINC000817414374 633653514 /nfs/dbraw/zinc/65/35/14/633653514.db2.gz IULUHMNHFIZVLI-BXKDBHETSA-N 1 0 285.771 2.399 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c(O)c1 ZINC000817587562 633702828 /nfs/dbraw/zinc/70/28/28/633702828.db2.gz YREDAIDAPLDKSX-LBPRGKRZSA-N 1 0 276.380 2.315 20 10 CECDRO CCCN1C[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)CC1=O ZINC000817589903 633703337 /nfs/dbraw/zinc/70/33/37/633703337.db2.gz RELKNDQVEJPLDC-JSGCOSHPSA-N 1 0 288.391 2.228 20 10 CECDRO CN(C)c1ccc(CN2CCC3(CC[NH2+]3)CC2)cc1 ZINC000817865965 633748045 /nfs/dbraw/zinc/74/80/45/633748045.db2.gz QEBNDVOVMKVGSP-UHFFFAOYSA-N 1 0 259.397 2.081 20 10 CECDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000817941459 633790162 /nfs/dbraw/zinc/79/01/62/633790162.db2.gz JVCWJZCDDNWFIC-GUYCJALGSA-N 1 0 291.439 2.157 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)N[C@@H]2CC[NH2+]C2)c1O ZINC000817945229 633792050 /nfs/dbraw/zinc/79/20/50/633792050.db2.gz XOXIXDMJNCOJSJ-GXSJLCMTSA-N 1 0 254.761 2.367 20 10 CECDRO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1cc(F)ccc1O ZINC000817950801 633795738 /nfs/dbraw/zinc/79/57/38/633795738.db2.gz ZGECGCNAYHRQBA-JQWIXIFHSA-N 1 0 252.333 2.324 20 10 CECDRO C[C@@H](NC1C[NH2+]C1)c1cc(Cl)c(Cl)cc1O ZINC000817956140 633799449 /nfs/dbraw/zinc/79/94/49/633799449.db2.gz RPLNHDNGTUDUEV-ZCFIWIBFSA-N 1 0 261.152 2.321 20 10 CECDRO COCCNCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000817964386 633806100 /nfs/dbraw/zinc/80/61/00/633806100.db2.gz AKVPLYHUCHPARG-ZDUSSCGKSA-N 1 0 292.423 2.158 20 10 CECDRO C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817968116 633812229 /nfs/dbraw/zinc/81/22/29/633812229.db2.gz PFGMEUWOGOBKFQ-JTQLQIEISA-N 1 0 250.317 2.102 20 10 CECDRO C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000817971296 633813457 /nfs/dbraw/zinc/81/34/57/633813457.db2.gz CATFFRHOYNMZMH-NKWVEPMBSA-N 1 0 291.164 2.292 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000817972655 633816042 /nfs/dbraw/zinc/81/60/42/633816042.db2.gz ZHJVJGDTMADSBO-FXPVBKGRSA-N 1 0 270.323 2.462 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)c(O)c1 ZINC000817976421 633819506 /nfs/dbraw/zinc/81/95/06/633819506.db2.gz LVBVKULVVBKKOG-SRVKXCTJSA-N 1 0 252.333 2.051 20 10 CECDRO CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000818984873 634029466 /nfs/dbraw/zinc/02/94/66/634029466.db2.gz IPKMDWOWIXOEPM-AWEZNQCLSA-N 1 0 298.402 2.157 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903098487 634967681 /nfs/dbraw/zinc/96/76/81/634967681.db2.gz PMMHCEJOJAKXDP-IAGOWNOFSA-N 1 0 290.407 2.099 20 10 CECDRO CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000903342996 635069987 /nfs/dbraw/zinc/06/99/87/635069987.db2.gz LVQTXLRGEYTREO-LSDHHAIUSA-N 1 0 292.423 2.462 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H]3COC[C@H]3C)CC2)cc1 ZINC000903394371 635090056 /nfs/dbraw/zinc/09/00/56/635090056.db2.gz AYNUBICSGGMUIH-DYVFJYSZSA-N 1 0 290.407 2.289 20 10 CECDRO Oc1ccccc1CN(C[C@H]1CCC[NH2+]1)C[C@@H]1CCCO1 ZINC000903427595 635113785 /nfs/dbraw/zinc/11/37/85/635113785.db2.gz YIOBWJFWARBQMJ-CVEARBPZSA-N 1 0 290.407 2.125 20 10 CECDRO C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(F)ccc1O ZINC000903421513 635122738 /nfs/dbraw/zinc/12/27/38/635122738.db2.gz VRLWYMHKBLQKJC-SNVBAGLBSA-N 1 0 291.326 2.109 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cc(C3CC3)nn2C)c1 ZINC000823872147 635297570 /nfs/dbraw/zinc/29/75/70/635297570.db2.gz ZXNQZMPKUDTMFW-UHFFFAOYSA-N 1 0 287.363 2.302 20 10 CECDRO COc1nccc(C[NH2+]CCCSc2nccs2)n1 ZINC000823937625 635309269 /nfs/dbraw/zinc/30/92/69/635309269.db2.gz DXPHFJSYAZMVLX-UHFFFAOYSA-N 1 0 296.421 2.214 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@]23CC[NH2+]C3)c1O ZINC000903864453 635313792 /nfs/dbraw/zinc/31/37/92/635313792.db2.gz VCJRNQADCHAGNN-INIZCTEOSA-N 1 0 292.354 2.062 20 10 CECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000841079239 635397042 /nfs/dbraw/zinc/39/70/42/635397042.db2.gz KGZBFHRLGNFYBT-LBPRGKRZSA-N 1 0 284.762 2.416 20 10 CECDRO COC[C@@](C)(O)CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000824559432 635449955 /nfs/dbraw/zinc/44/99/55/635449955.db2.gz UFBDDVUZOOWGLP-AWEZNQCLSA-N 1 0 287.787 2.231 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)C(F)F ZINC000824636240 635467010 /nfs/dbraw/zinc/46/70/10/635467010.db2.gz MZZQQQWBWRXHRS-YPMHNXCESA-N 1 0 271.307 2.116 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CO)[C@@H]2CC)c1 ZINC000824636528 635468618 /nfs/dbraw/zinc/46/86/18/635468618.db2.gz RPRDIJPATWRPTN-WFASDCNBSA-N 1 0 279.380 2.384 20 10 CECDRO COc1c(O)c(C[N@@H+]2CC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000824650684 635470023 /nfs/dbraw/zinc/47/00/23/635470023.db2.gz OWNJUDKOLDMEHA-NSHDSACASA-N 1 0 278.308 2.293 20 10 CECDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000824708875 635481609 /nfs/dbraw/zinc/48/16/09/635481609.db2.gz KZFHZAWRZCCVIX-RISCZKNCSA-N 1 0 299.798 2.495 20 10 CECDRO OC[C@@H]([C@@H]([NH2+]Cc1ccccc1O)C1CC1)C1CC1 ZINC000824845094 635509099 /nfs/dbraw/zinc/50/90/99/635509099.db2.gz HOMWBWCCNVISTP-ZBFHGGJFSA-N 1 0 261.365 2.279 20 10 CECDRO CCc1ncc(C[NH2+]Cc2cc(F)ccc2O)o1 ZINC000825079592 635559203 /nfs/dbraw/zinc/55/92/03/635559203.db2.gz WADKRQKXOMCCOR-UHFFFAOYSA-N 1 0 250.273 2.372 20 10 CECDRO COc1cc(O)c(C[NH2+]CCC[C@@H]2CCOC2)cc1OC ZINC000825144801 635578395 /nfs/dbraw/zinc/57/83/95/635578395.db2.gz RJPZDSMJJBAVGP-GFCCVEGCSA-N 1 0 295.379 2.316 20 10 CECDRO [NH3+]C1(CNCc2ccc3c(c2)CCCO3)CCCC1 ZINC000904376547 635602139 /nfs/dbraw/zinc/60/21/39/635602139.db2.gz BGILMEHJRAZSHX-UHFFFAOYSA-N 1 0 260.381 2.373 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CCC2)cc1Cl ZINC000825366050 635625218 /nfs/dbraw/zinc/62/52/18/635625218.db2.gz QSPOUEXVPFRVMS-UHFFFAOYSA-N 1 0 254.761 2.149 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825375687 635627595 /nfs/dbraw/zinc/62/75/95/635627595.db2.gz PMUFXXCWRKWZPD-UHFFFAOYSA-N 1 0 284.787 2.216 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2cn[nH]c2)cc1Cl ZINC000825944564 635737071 /nfs/dbraw/zinc/73/70/71/635737071.db2.gz YGAGZTAGRXPRKJ-UHFFFAOYSA-N 1 0 265.744 2.409 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1Cl ZINC000826120461 635763329 /nfs/dbraw/zinc/76/33/29/635763329.db2.gz DPUJLHPNBJNLRD-BXUZGUMPSA-N 1 0 299.798 2.231 20 10 CECDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000842754328 635769087 /nfs/dbraw/zinc/76/90/87/635769087.db2.gz NWJAWHQBIGVKRI-DGCLKSJQSA-N 1 0 267.369 2.288 20 10 CECDRO COC[C@H](CC[NH2+]Cc1ccc(N(C)C)cc1C)OC ZINC000826840808 635858231 /nfs/dbraw/zinc/85/82/31/635858231.db2.gz ZFLLPNNOJFYMCP-INIZCTEOSA-N 1 0 280.412 2.202 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000827165392 636243114 /nfs/dbraw/zinc/24/31/14/636243114.db2.gz YBMOOEAUAXSLLK-BXUZGUMPSA-N 1 0 297.420 2.010 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000827289799 636281900 /nfs/dbraw/zinc/28/19/00/636281900.db2.gz DCDJLRPROZBNPK-PIXXYMSQSA-N 1 0 272.392 2.223 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C1(CO)CCC1 ZINC000827903244 636456872 /nfs/dbraw/zinc/45/68/72/636456872.db2.gz GRORKDWGUWNCAF-UHFFFAOYSA-N 1 0 262.397 2.408 20 10 CECDRO CCc1cccc(C[NH+]2CCC(NC(=O)OC)CC2)c1O ZINC000827923902 636459613 /nfs/dbraw/zinc/45/96/13/636459613.db2.gz MTPAOQQOIYEKEW-UHFFFAOYSA-N 1 0 292.379 2.275 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCOCCF)cc1Cl ZINC000827951411 636467904 /nfs/dbraw/zinc/46/79/04/636467904.db2.gz YQCLKEMDFONRNT-UHFFFAOYSA-N 1 0 261.724 2.430 20 10 CECDRO COc1ccccc1[C@H](O)C[NH2+]Cc1cc(F)ccc1O ZINC000827951087 636467957 /nfs/dbraw/zinc/46/79/57/636467957.db2.gz WFUCQPPEJHVELV-OAHLLOKOSA-N 1 0 291.322 2.363 20 10 CECDRO CCC[C@](C)([NH3+])C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000828668211 636650957 /nfs/dbraw/zinc/65/09/57/636650957.db2.gz ZKYHZOXIQTVMEW-BONVTDFDSA-N 1 0 280.368 2.096 20 10 CECDRO Cc1ccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c(O)c1 ZINC000876521085 650301375 /nfs/dbraw/zinc/30/13/75/650301375.db2.gz GZQIFWUZZCVNKO-UHFFFAOYSA-N 1 0 288.391 2.191 20 10 CECDRO CCCC1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000832266503 637529190 /nfs/dbraw/zinc/52/91/90/637529190.db2.gz GRKZNTSCNHTSFK-OAHLLOKOSA-N 1 0 289.423 2.449 20 10 CECDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000832296759 637537429 /nfs/dbraw/zinc/53/74/29/637537429.db2.gz NRIABJGYBCUZMO-JTQLQIEISA-N 1 0 268.382 2.056 20 10 CECDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCc2cc(F)c(F)cc21 ZINC000876588435 650347021 /nfs/dbraw/zinc/34/70/21/650347021.db2.gz VFBWQLKCWGXQBS-UFFNRZRYSA-N 1 0 292.329 2.410 20 10 CECDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCc2cc(F)c(F)cc21 ZINC000876588433 650347257 /nfs/dbraw/zinc/34/72/57/650347257.db2.gz VFBWQLKCWGXQBS-DLRQAJBASA-N 1 0 292.329 2.410 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[NH2+]CC ZINC000876633827 650369306 /nfs/dbraw/zinc/36/93/06/650369306.db2.gz YCQTZLDFDBKSLE-GFCCVEGCSA-N 1 0 264.369 2.129 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCOC[C@H]1CCOC1)CC2 ZINC000834578565 637877180 /nfs/dbraw/zinc/87/71/80/637877180.db2.gz UWSVPAVFYQBSEI-JSGCOSHPSA-N 1 0 277.364 2.022 20 10 CECDRO CSC[C@H](CCO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834597491 637886308 /nfs/dbraw/zinc/88/63/08/637886308.db2.gz GGLLTAGXFZHHQO-RYUDHWBXSA-N 1 0 267.394 2.083 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCO[C@]3(CCOC3)C1)CC2 ZINC000834697450 637922098 /nfs/dbraw/zinc/92/20/98/637922098.db2.gz LHVOACUKANUMHX-JJRVBVJISA-N 1 0 289.375 2.307 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000834881015 637976736 /nfs/dbraw/zinc/97/67/36/637976736.db2.gz JONYWMNGCZLFMP-FRFSOERESA-N 1 0 292.423 2.455 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1ccc(N(C)C)cc1 ZINC000834892490 637980489 /nfs/dbraw/zinc/98/04/89/637980489.db2.gz VOKYCEZAZCRSMQ-GOEBONIOSA-N 1 0 289.423 2.414 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC(=O)N2)c2c1c(F)ccc2O ZINC000834909433 637984900 /nfs/dbraw/zinc/98/49/00/637984900.db2.gz RLWKKRBDSSANQA-ZYSBLVPFSA-N 1 0 292.354 2.338 20 10 CECDRO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(N(C)C)cc1 ZINC000834908147 637985159 /nfs/dbraw/zinc/98/51/59/637985159.db2.gz HGCWGJGBVGRLJR-BLLLJJGKSA-N 1 0 275.396 2.072 20 10 CECDRO CCn1cnnc1CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835033962 638032032 /nfs/dbraw/zinc/03/20/32/638032032.db2.gz YXLYXBCILYEOSD-AATRIKPKSA-N 1 0 299.422 2.210 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCCN(C)C2)cc1 ZINC000835036505 638032941 /nfs/dbraw/zinc/03/29/41/638032941.db2.gz QORWOLOIZHAUPI-DQOPKJQZSA-N 1 0 273.424 2.450 20 10 CECDRO C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC[C@@H]1O ZINC000835044875 638036499 /nfs/dbraw/zinc/03/64/99/638036499.db2.gz ACYOOHDDHUCNOS-ROHVMALMSA-N 1 0 274.408 2.469 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CO)CC(F)F)cc1 ZINC000835047980 638038884 /nfs/dbraw/zinc/03/88/84/638038884.db2.gz DLNQMZWRWNQIEZ-ITDFMYJTSA-N 1 0 284.350 2.372 20 10 CECDRO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCOCCO ZINC000835050145 638039117 /nfs/dbraw/zinc/03/91/17/638039117.db2.gz PIKBYSJLWFERSX-WAYWQWQTSA-N 1 0 292.423 2.097 20 10 CECDRO Cc1cnc(CC[NH2+]Cc2cccc(C)c2O)cn1 ZINC000835062468 638045133 /nfs/dbraw/zinc/04/51/33/638045133.db2.gz VKXYKPIDOSRLFZ-UHFFFAOYSA-N 1 0 257.337 2.131 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc1C ZINC000835073102 638048626 /nfs/dbraw/zinc/04/86/26/638048626.db2.gz KYJJEDBYRVMRGV-LSDHHAIUSA-N 1 0 288.391 2.252 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c(O)c1 ZINC000876680298 650396220 /nfs/dbraw/zinc/39/62/20/650396220.db2.gz ZFAXEFMKAYNDEM-CQSZACIVSA-N 1 0 277.364 2.428 20 10 CECDRO Nc1ccc(NC(=O)[C@@H]2[NH2+]CC[C@H]3CCCC[C@H]32)cc1 ZINC000911660526 638340435 /nfs/dbraw/zinc/34/04/35/638340435.db2.gz KKMZWJNGRKYAHB-KCPJHIHWSA-N 1 0 273.380 2.376 20 10 CECDRO Cc1ccc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(O)c1 ZINC000876796662 650437054 /nfs/dbraw/zinc/43/70/54/650437054.db2.gz HPORZRNHJOESFF-AWEZNQCLSA-N 1 0 285.391 2.499 20 10 CECDRO CCN(C(=O)C1=CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000912497721 638708171 /nfs/dbraw/zinc/70/81/71/638708171.db2.gz HEHWGRPFZKDTPC-UHFFFAOYSA-N 1 0 274.364 2.358 20 10 CECDRO COc1cccc(CNc2ccc(N(C)C)cn2)c1O ZINC000150914183 639004575 /nfs/dbraw/zinc/00/45/75/639004575.db2.gz YSFLHOYZOYSZIV-UHFFFAOYSA-N 1 0 273.336 2.474 20 10 CECDRO CC(C)COC[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000151421415 639297151 /nfs/dbraw/zinc/29/71/51/639297151.db2.gz CCKZNNJCKSZGOT-RHSMWYFYSA-N 1 0 294.439 2.437 20 10 CECDRO CC[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccccc1O ZINC000156368458 639346239 /nfs/dbraw/zinc/34/62/39/639346239.db2.gz YOOBBVQPEKGPGU-GDBMZVCRSA-N 1 0 279.380 2.222 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c1O ZINC000044684292 639353186 /nfs/dbraw/zinc/35/31/86/639353186.db2.gz ROHSCOACBWCSFK-CYBMUJFWSA-N 1 0 276.380 2.117 20 10 CECDRO COc1ccc(N(C)C(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1 ZINC000876944476 650499325 /nfs/dbraw/zinc/49/93/25/650499325.db2.gz MCRUBXOEQATPHT-OMPYUXFZSA-N 1 0 274.364 2.214 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840907795 639580689 /nfs/dbraw/zinc/58/06/89/639580689.db2.gz QYGDQBJREQWZST-MFKMUULPSA-N 1 0 296.798 2.358 20 10 CECDRO CC[S@](=O)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000168765934 639581401 /nfs/dbraw/zinc/58/14/01/639581401.db2.gz QPJAIIJCWRGOGF-APPDUMDISA-N 1 0 255.383 2.120 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000840911905 639582151 /nfs/dbraw/zinc/58/21/51/639582151.db2.gz CKGSCMMNRFWTFA-INIZCTEOSA-N 1 0 289.423 2.291 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H]2CN(C)CCO2)c(Cl)c1 ZINC000840909429 639582308 /nfs/dbraw/zinc/58/23/08/639582308.db2.gz RWINTVWJOFEOOQ-IAQYHMDHSA-N 1 0 298.814 2.163 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c(Cl)c1 ZINC000840909428 639583053 /nfs/dbraw/zinc/58/30/53/639583053.db2.gz RWINTVWJOFEOOQ-ABAIWWIYSA-N 1 0 298.814 2.163 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c(Cl)c1 ZINC000840916577 639584847 /nfs/dbraw/zinc/58/48/47/639584847.db2.gz KPYLJJHPPVWDCL-NSHDSACASA-N 1 0 296.798 2.441 20 10 CECDRO CN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000227440233 639590357 /nfs/dbraw/zinc/59/03/57/639590357.db2.gz JICOKJDODZEUND-GFCCVEGCSA-N 1 0 254.761 2.229 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]CCn1cccn1 ZINC000227438872 639590717 /nfs/dbraw/zinc/59/07/17/639590717.db2.gz SSGROHQETVKGPD-UHFFFAOYSA-N 1 0 296.168 2.141 20 10 CECDRO CN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000227440242 639590737 /nfs/dbraw/zinc/59/07/37/639590737.db2.gz JICOKJDODZEUND-LBPRGKRZSA-N 1 0 254.761 2.229 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H](O)CC(C)C)c1O ZINC000227442380 639590810 /nfs/dbraw/zinc/59/08/10/639590810.db2.gz BSBRYADPIYTDQI-CYBMUJFWSA-N 1 0 267.369 2.288 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](n3cncn3)C2)c(Cl)c1 ZINC000840937507 639591986 /nfs/dbraw/zinc/59/19/86/639591986.db2.gz ICVWLUGBPIKJCU-LLVKDONJSA-N 1 0 292.770 2.393 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000840938481 639592060 /nfs/dbraw/zinc/59/20/60/639592060.db2.gz GJRBAUYTKMJQGW-WBMJQRKESA-N 1 0 262.397 2.264 20 10 CECDRO COCCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840938952 639592646 /nfs/dbraw/zinc/59/26/46/639592646.db2.gz JYYXEVFIKAIPGK-KRWDZBQOSA-N 1 0 292.423 2.298 20 10 CECDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840938953 639592887 /nfs/dbraw/zinc/59/28/87/639592887.db2.gz JYYXEVFIKAIPGK-QGZVFWFLSA-N 1 0 292.423 2.298 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCc2cnn(C)n2)c(Cl)c1 ZINC000840948995 639598085 /nfs/dbraw/zinc/59/80/85/639598085.db2.gz LUCBGHGPZYJFGM-UHFFFAOYSA-N 1 0 294.786 2.205 20 10 CECDRO COC[C@](C)(O)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840950419 639599166 /nfs/dbraw/zinc/59/91/66/639599166.db2.gz IBXXSDCYVWIKBN-CQSZACIVSA-N 1 0 287.787 2.231 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc1OC ZINC000840963976 639602652 /nfs/dbraw/zinc/60/26/52/639602652.db2.gz PSINRNLSTQPAPH-WOPDTQHZSA-N 1 0 295.379 2.313 20 10 CECDRO COc1ccc2c(c1)CCN2C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841003100 639613871 /nfs/dbraw/zinc/61/38/71/639613871.db2.gz NKLCPRWZXTVCEW-OLZOCXBDSA-N 1 0 260.381 2.446 20 10 CECDRO CCCC[C@@H](C[NH3+])NCc1ccc(N2CCOCC2)cc1 ZINC000841029008 639621330 /nfs/dbraw/zinc/62/13/30/639621330.db2.gz LEITZRIPJBSUHV-INIZCTEOSA-N 1 0 291.439 2.130 20 10 CECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841033168 639625431 /nfs/dbraw/zinc/62/54/31/639625431.db2.gz OCXFELBSGAJXRS-SECBINFHSA-N 1 0 272.751 2.274 20 10 CECDRO Cc1cc(Cl)cc(CNC[C@@H]2CCC[NH2+]2)c1O ZINC000841036170 639628094 /nfs/dbraw/zinc/62/80/94/639628094.db2.gz PGDXMRSFDHQXKK-LBPRGKRZSA-N 1 0 254.761 2.196 20 10 CECDRO Nc1ccc(CC[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000841037827 639629006 /nfs/dbraw/zinc/62/90/06/639629006.db2.gz YBHMYZYUMJWKAQ-UHFFFAOYSA-N 1 0 284.359 2.372 20 10 CECDRO Cc1ncc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000841042497 639630008 /nfs/dbraw/zinc/63/00/08/639630008.db2.gz KVELKTKLGQVXLY-OAHLLOKOSA-N 1 0 290.436 2.307 20 10 CECDRO Cc1cc(Br)cc(CN[C@@H]2CCC[NH2+]C2)c1O ZINC000841042247 639630070 /nfs/dbraw/zinc/63/00/70/639630070.db2.gz HEKVCWAOVJEGSZ-GFCCVEGCSA-N 1 0 299.212 2.305 20 10 CECDRO Cc1noc(C)c1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044843 639631249 /nfs/dbraw/zinc/63/12/49/639631249.db2.gz YZRIPNWWLVGWPJ-INIZCTEOSA-N 1 0 288.395 2.147 20 10 CECDRO Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000841048960 639631960 /nfs/dbraw/zinc/63/19/60/639631960.db2.gz IDMPBVDBLRWYMN-LBPRGKRZSA-N 1 0 299.212 2.290 20 10 CECDRO CC[NH2+][C@H](C)CNCc1cc(Br)ccc1O ZINC000841065374 639641437 /nfs/dbraw/zinc/64/14/37/639641437.db2.gz JIZWXKXXKMTGEJ-SECBINFHSA-N 1 0 287.201 2.242 20 10 CECDRO CCOCc1cc(CN[C@@H](C)[C@H](C)[NH3+])ccc1OC ZINC000841079555 639648008 /nfs/dbraw/zinc/64/80/08/639648008.db2.gz KUXUJAQRNYQZTG-RYUDHWBXSA-N 1 0 266.385 2.057 20 10 CECDRO CCOCc1cc(CN[C@@H](C)[C@@H](C)[NH3+])ccc1OC ZINC000841079553 639648351 /nfs/dbraw/zinc/64/83/51/639648351.db2.gz KUXUJAQRNYQZTG-NEPJUHHUSA-N 1 0 266.385 2.057 20 10 CECDRO [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000841084948 639650331 /nfs/dbraw/zinc/65/03/31/639650331.db2.gz QTDLUFHCWMKKCP-KCJUWKMLSA-N 1 0 299.758 2.171 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C3CC3)C2)c1O ZINC000228673576 639651443 /nfs/dbraw/zinc/65/14/43/639651443.db2.gz PQFOIKVLPRPVEL-LBPRGKRZSA-N 1 0 296.798 2.381 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CN)C(C)(C)C)cc1C ZINC000841087921 639651448 /nfs/dbraw/zinc/65/14/48/639651448.db2.gz UBEQECNJOXHUSU-CQSZACIVSA-N 1 0 250.386 2.472 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H](CN)C2CCCC2)cc1OC ZINC000841087502 639651858 /nfs/dbraw/zinc/65/18/58/639651858.db2.gz OUPMIHZZCHLJPB-ZDUSSCGKSA-N 1 0 294.395 2.017 20 10 CECDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000228929777 639665908 /nfs/dbraw/zinc/66/59/08/639665908.db2.gz ILNVPJBTZVLAEC-OLZOCXBDSA-N 1 0 277.412 2.316 20 10 CECDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(N)cc2)C[C@H]1C ZINC000841297851 639731900 /nfs/dbraw/zinc/73/19/00/639731900.db2.gz IYEHVIURNQXSRK-VXGBXAGGSA-N 1 0 276.384 2.215 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000172478056 639767419 /nfs/dbraw/zinc/76/74/19/639767419.db2.gz NPBWGSOQRNNQLF-AWEZNQCLSA-N 1 0 289.375 2.266 20 10 CECDRO CCn1cnnc1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000230658822 639779994 /nfs/dbraw/zinc/77/99/94/639779994.db2.gz QDXRFDVGQTYNHB-LLVKDONJSA-N 1 0 260.341 2.163 20 10 CECDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(Cl)cc1O ZINC000841748367 639856806 /nfs/dbraw/zinc/85/68/06/639856806.db2.gz XBISIOMNDISBJQ-NWDGAFQWSA-N 1 0 298.814 2.417 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(Cl)cc1O ZINC000841748535 639857383 /nfs/dbraw/zinc/85/73/83/639857383.db2.gz AMMCJSMZCQNGEE-XPTSAGLGSA-N 1 0 295.770 2.163 20 10 CECDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(Cl)cc1O ZINC000841753367 639858067 /nfs/dbraw/zinc/85/80/67/639858067.db2.gz SKXUPLFQKOWSHO-IMSIIYSGSA-N 1 0 285.771 2.236 20 10 CECDRO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(Cl)cc1O ZINC000841752463 639859171 /nfs/dbraw/zinc/85/91/71/639859171.db2.gz TVKMKQGUWOHRDW-ZANVPECISA-N 1 0 295.770 2.163 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)CC2 ZINC000841762525 639859917 /nfs/dbraw/zinc/85/99/17/639859917.db2.gz PUPZDXMEUHUKPP-RYUDHWBXSA-N 1 0 282.334 2.309 20 10 CECDRO Cc1cccc(O)c1C[NH2+]Cc1cccc(CO)c1 ZINC000877015367 650531971 /nfs/dbraw/zinc/53/19/71/650531971.db2.gz NIMXQSJFXCXIKE-UHFFFAOYSA-N 1 0 257.333 2.483 20 10 CECDRO Cc1cc(CN(C)Cc2ccc(N(C)C)cc2)n(C)n1 ZINC000841828719 639874668 /nfs/dbraw/zinc/87/46/68/639874668.db2.gz ZLELMIYUHOFDSB-UHFFFAOYSA-N 1 0 272.396 2.427 20 10 CECDRO CCCN(Cc1cnnn1CC)c1ccc(C[NH3+])cc1 ZINC000841877627 639896314 /nfs/dbraw/zinc/89/63/14/639896314.db2.gz KRIOWRJDIGIQAL-UHFFFAOYSA-N 1 0 273.384 2.173 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@](C)(O)C2)c(Cl)c1 ZINC000841890987 639900843 /nfs/dbraw/zinc/90/08/43/639900843.db2.gz LNFZKBMOTUIIIS-SWZMTVOYSA-N 1 0 255.745 2.357 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]([NH3+])CC ZINC000842003430 639918387 /nfs/dbraw/zinc/91/83/87/639918387.db2.gz BOWVBTSUTYRYGU-ZDUSSCGKSA-N 1 0 279.384 2.051 20 10 CECDRO CO[C@@H](C[NH2+]Cc1ccc(C)cc1O)C(F)(F)F ZINC000877027080 650537566 /nfs/dbraw/zinc/53/75/66/650537566.db2.gz KCGMAIFKCOWVOX-NSHDSACASA-N 1 0 263.259 2.368 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[NH2+]C[C@H]2C)c1O ZINC000842474802 640073412 /nfs/dbraw/zinc/07/34/12/640073412.db2.gz XELFTLBFINUNGR-VHSXEESVSA-N 1 0 296.798 2.430 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC000842475824 640075459 /nfs/dbraw/zinc/07/54/59/640075459.db2.gz VBPVOLQPKCKLNS-AMIZOPFISA-N 1 0 282.771 2.027 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000842912063 640220411 /nfs/dbraw/zinc/22/04/11/640220411.db2.gz PLJPHZIXRMCLBL-XTWCZFFVSA-N 1 0 271.744 2.110 20 10 CECDRO CN(C(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(N)cc1 ZINC000877074259 650560188 /nfs/dbraw/zinc/56/01/88/650560188.db2.gz DYZSYYMFZBRKQF-GFCCVEGCSA-N 1 0 261.369 2.011 20 10 CECDRO CCOc1ccc(O)c(CN2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000843044652 640249372 /nfs/dbraw/zinc/24/93/72/640249372.db2.gz DOROVGJFKBZZIP-WFASDCNBSA-N 1 0 278.396 2.493 20 10 CECDRO CCN(CC)c1ccc(CN2CC[NH2+]CC2)cc1F ZINC000843043937 640249546 /nfs/dbraw/zinc/24/95/46/640249546.db2.gz DEGVIOULJQZBIG-UHFFFAOYSA-N 1 0 265.376 2.077 20 10 CECDRO C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C)[NH2+]1 ZINC000843049837 640253959 /nfs/dbraw/zinc/25/39/59/640253959.db2.gz WQRGFJHDQXPQPB-RYUDHWBXSA-N 1 0 265.376 2.074 20 10 CECDRO CCOc1ccc(O)c(CN2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000843051752 640254618 /nfs/dbraw/zinc/25/46/18/640254618.db2.gz LJUHNVOYJRBRIY-IUODEOHRSA-N 1 0 278.396 2.350 20 10 CECDRO CCOc1ccc(CN2CCC[C@H](C)[C@H]2C[NH3+])c(O)c1 ZINC000843051956 640255042 /nfs/dbraw/zinc/25/50/42/640255042.db2.gz NDEPWYXZZKBUHU-SWLSCSKDSA-N 1 0 278.396 2.350 20 10 CECDRO CCN(CC)c1ccc(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000843056919 640259876 /nfs/dbraw/zinc/25/98/76/640259876.db2.gz CAYZIMTZWAXRTM-RHSMWYFYSA-N 1 0 291.439 2.081 20 10 CECDRO COc1cc(N(C)C[C@]2(C)CC[NH2+]C2)cc(OC)c1OC ZINC000843068824 640267079 /nfs/dbraw/zinc/26/70/79/640267079.db2.gz MLGFINKEJBJWBF-MRXNPFEDSA-N 1 0 294.395 2.148 20 10 CECDRO COc1ccc2c(c1)CCCN2C[C@H]1CCC[NH2+]C1 ZINC000843069982 640267917 /nfs/dbraw/zinc/26/79/17/640267917.db2.gz UNEZKDPQCNNHQX-ZDUSSCGKSA-N 1 0 260.381 2.447 20 10 CECDRO Cc1ccc(O)c(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1 ZINC000843117802 640286982 /nfs/dbraw/zinc/28/69/82/640286982.db2.gz UBJAEAGYKFOVGC-MRXNPFEDSA-N 1 0 283.375 2.242 20 10 CECDRO Cc1cc(O)c(CN2C[C@@H](C)[C@H]([NH3+])C2)c(Cl)c1 ZINC000843120584 640289555 /nfs/dbraw/zinc/28/95/55/640289555.db2.gz QMWCCEPKDJFZQE-BXKDBHETSA-N 1 0 254.761 2.133 20 10 CECDRO CN(C)c1ccc(CN(C)C2(C[NH3+])CCC2)cc1F ZINC000843124828 640290610 /nfs/dbraw/zinc/29/06/10/640290610.db2.gz IHSNLGDDPSOYOT-UHFFFAOYSA-N 1 0 265.376 2.205 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c(O)c1 ZINC000877095207 650569949 /nfs/dbraw/zinc/56/99/49/650569949.db2.gz PPRXNXLFSDBKMB-DOMZBBRYSA-N 1 0 260.381 2.273 20 10 CECDRO C[NH2+]C[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000843349210 640398194 /nfs/dbraw/zinc/39/81/94/640398194.db2.gz LWWHZPSTGCLNFI-LLVKDONJSA-N 1 0 296.798 2.290 20 10 CECDRO CC(=O)c1cc(F)cc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1O ZINC000843361626 640404441 /nfs/dbraw/zinc/40/44/41/640404441.db2.gz MRUMVUBSZUUGBR-CQSZACIVSA-N 1 0 292.354 2.060 20 10 CECDRO COc1ccc2c(c1)C[C@H](C(C)C)CN2CCOCC[NH3+] ZINC000843390293 640414975 /nfs/dbraw/zinc/41/49/75/640414975.db2.gz SNKUVRRWSKEVKG-HNNXBMFYSA-N 1 0 292.423 2.305 20 10 CECDRO C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000844920055 640866455 /nfs/dbraw/zinc/86/64/55/640866455.db2.gz JGNHJPORZBZTGM-SNVBAGLBSA-N 1 0 279.340 2.080 20 10 CECDRO COC(=O)c1cnc(SC[C@@H]2CCC[N@@H+]2C)s1 ZINC000917778784 640916913 /nfs/dbraw/zinc/91/69/13/640916913.db2.gz UPIBNSMORMTGMM-QMMMGPOBSA-N 1 0 272.395 2.116 20 10 CECDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1CCCOC1 ZINC000846051621 641164610 /nfs/dbraw/zinc/16/46/10/641164610.db2.gz HMWCNSIEKJPOCL-CYBMUJFWSA-N 1 0 295.379 2.410 20 10 CECDRO Oc1c(C[NH2+]CC[C@]2(O)CCOC2)ccc2ccccc21 ZINC000846048414 641164668 /nfs/dbraw/zinc/16/46/68/641164668.db2.gz GQNNYUVMRYWEQO-KRWDZBQOSA-N 1 0 287.359 2.177 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)CCF)cc1F ZINC000846096636 641179675 /nfs/dbraw/zinc/17/96/75/641179675.db2.gz JGRVFHVJPHPKLF-ZDUSSCGKSA-N 1 0 286.366 2.482 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCCn2cccn2)c1O ZINC000846139756 641197112 /nfs/dbraw/zinc/19/71/12/641197112.db2.gz YZUNNLVJFLYPSR-GFCCVEGCSA-N 1 0 275.352 2.338 20 10 CECDRO CC[C@@H](COC)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846147489 641201795 /nfs/dbraw/zinc/20/17/95/641201795.db2.gz VUZDTHZVUJAPIQ-MNOVXSKESA-N 1 0 253.342 2.476 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@](C)(O)C2CC2)c1O ZINC000846148262 641202934 /nfs/dbraw/zinc/20/29/34/641202934.db2.gz YUUDXNJBGPZWAO-ZUZCIYMTSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC2(O)CCCC2)c1O ZINC000846148140 641202972 /nfs/dbraw/zinc/20/29/72/641202972.db2.gz XGDUQXABWMHXOD-LLVKDONJSA-N 1 0 265.353 2.357 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCOC(C)C)c1O ZINC000846162923 641209059 /nfs/dbraw/zinc/20/90/59/641209059.db2.gz JUUCQTMJLPLQIQ-NSHDSACASA-N 1 0 253.342 2.476 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c1O ZINC000846165904 641209714 /nfs/dbraw/zinc/20/97/14/641209714.db2.gz PGZMMEUHSNGPTL-WXHSDQCUSA-N 1 0 265.353 2.355 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCC[C@@H](C)O)c1O ZINC000846169290 641210911 /nfs/dbraw/zinc/21/09/11/641210911.db2.gz ZSTJJDRIDMZXIC-MNOVXSKESA-N 1 0 253.342 2.212 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1O ZINC000846205517 641220937 /nfs/dbraw/zinc/22/09/37/641220937.db2.gz HTCFKGFJSBZDRU-VXGBXAGGSA-N 1 0 274.364 2.054 20 10 CECDRO C[C@@H](NC(=O)/C=C\[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000877255845 650644109 /nfs/dbraw/zinc/64/41/09/650644109.db2.gz INZKWLPXKAIMCN-MPBQIQEOSA-N 1 0 274.364 2.125 20 10 CECDRO C[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1ccccc1O ZINC000877256315 650644293 /nfs/dbraw/zinc/64/42/93/650644293.db2.gz RZRFSGNXWJHJDE-MLGOLLRUSA-N 1 0 296.370 2.284 20 10 CECDRO C[C@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1O ZINC000877255876 650644335 /nfs/dbraw/zinc/64/43/35/650644335.db2.gz JIEISDHTQSDWFG-FZMZJTMJSA-N 1 0 276.380 2.348 20 10 CECDRO C[C@]1(C(=O)NCCCSc2nccs2)CCC[NH2+]C1 ZINC000237755798 641380268 /nfs/dbraw/zinc/38/02/68/641380268.db2.gz VVVYVKBHAOCDQU-ZDUSSCGKSA-N 1 0 299.465 2.131 20 10 CECDRO COCCCOCC[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000179798568 641383996 /nfs/dbraw/zinc/38/39/96/641383996.db2.gz PGZBHPDIQOSSPA-UHFFFAOYSA-N 1 0 293.407 2.366 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000846672718 641386203 /nfs/dbraw/zinc/38/62/03/641386203.db2.gz JKQXIGZVMKHZIQ-XJKSGUPXSA-N 1 0 289.423 2.195 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2(OC)CCC2)c1 ZINC000180792631 641485187 /nfs/dbraw/zinc/48/51/87/641485187.db2.gz GOZUOCSHHAWKRB-UHFFFAOYSA-N 1 0 251.326 2.060 20 10 CECDRO CSCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000070186544 641643979 /nfs/dbraw/zinc/64/39/79/641643979.db2.gz ZVCKRKIKVASCHS-UHFFFAOYSA-N 1 0 280.437 2.366 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(C)ccc1O ZINC000071408185 641762873 /nfs/dbraw/zinc/76/28/73/641762873.db2.gz UXFPDKUXUXSUQT-GFCCVEGCSA-N 1 0 264.369 2.095 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CCN(C)C[C@@H]2C(C)C)c1 ZINC000184739895 641898842 /nfs/dbraw/zinc/89/88/42/641898842.db2.gz YFJYPZWSSQFCPS-OAHLLOKOSA-N 1 0 262.397 2.473 20 10 CECDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877401159 650706747 /nfs/dbraw/zinc/70/67/47/650706747.db2.gz ZFSLQUXZSACEHY-CYBMUJFWSA-N 1 0 278.352 2.021 20 10 CECDRO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185330444 641965930 /nfs/dbraw/zinc/96/59/30/641965930.db2.gz ATHOBWJJPVMVBB-OCCSQVGLSA-N 1 0 296.386 2.293 20 10 CECDRO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185330161 641966272 /nfs/dbraw/zinc/96/62/72/641966272.db2.gz PZZLYERLCPPSJP-LSDHHAIUSA-N 1 0 292.423 2.462 20 10 CECDRO C[NH2+]CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000083457848 642072269 /nfs/dbraw/zinc/07/22/69/642072269.db2.gz XZHFSYMTBVPHSV-UHFFFAOYSA-N 1 0 263.168 2.398 20 10 CECDRO C[NH+]1CCN(c2ccc(CNCC(F)(F)F)cc2)CC1 ZINC000107797501 642103203 /nfs/dbraw/zinc/10/32/03/642103203.db2.gz DUSWSRGZXPEHPQ-UHFFFAOYSA-N 1 0 287.329 2.090 20 10 CECDRO CCc1cccc(C[N@H+](C)C[C@H](C)C(=O)OC)c1O ZINC000848882618 642169323 /nfs/dbraw/zinc/16/93/23/642169323.db2.gz VXCIVVAAJQKTTM-NSHDSACASA-N 1 0 265.353 2.196 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](COCCOC)C2)c1O ZINC000848890670 642174786 /nfs/dbraw/zinc/17/47/86/642174786.db2.gz TYINGAJXHDTXPS-AWEZNQCLSA-N 1 0 293.407 2.440 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCCN(C(=O)OC)C2)c1O ZINC000848894610 642175545 /nfs/dbraw/zinc/17/55/45/642175545.db2.gz LKPMPFHJGORRSU-AWEZNQCLSA-N 1 0 292.379 2.275 20 10 CECDRO CCc1cccc(C[N@H+](C)CCOCCCOC)c1O ZINC000848901225 642179421 /nfs/dbraw/zinc/17/94/21/642179421.db2.gz PPSNSIIMHJHHPA-UHFFFAOYSA-N 1 0 281.396 2.440 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](COC)[C@H]2CCCO2)c1O ZINC000848907178 642184101 /nfs/dbraw/zinc/18/41/01/642184101.db2.gz JTHKVJTYKUOKLX-LSDHHAIUSA-N 1 0 279.380 2.238 20 10 CECDRO CCc1cccc(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1O ZINC000848908383 642184183 /nfs/dbraw/zinc/18/41/83/642184183.db2.gz SHBWRCFMGLZWBO-SUMWQHHRSA-N 1 0 291.391 2.334 20 10 CECDRO CCc1cccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1O ZINC000848911953 642186577 /nfs/dbraw/zinc/18/65/77/642186577.db2.gz ZVHMURBJKCDFMA-KRWDZBQOSA-N 1 0 291.391 2.336 20 10 CECDRO CCc1cccc(C[N@@H+]2CCOC[C@H]2CCOC)c1O ZINC000848913072 642187570 /nfs/dbraw/zinc/18/75/70/642187570.db2.gz NOUWKEJMJQMVQD-OAHLLOKOSA-N 1 0 279.380 2.192 20 10 CECDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000921590121 642253555 /nfs/dbraw/zinc/25/35/55/642253555.db2.gz YDVFXFBHDKGRGC-GFCCVEGCSA-N 1 0 275.270 2.024 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000877480735 650741689 /nfs/dbraw/zinc/74/16/89/650741689.db2.gz GJLZRNPNXWEPRG-CYBMUJFWSA-N 1 0 297.420 2.100 20 10 CECDRO CCC(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998327386 642387962 /nfs/dbraw/zinc/38/79/62/642387962.db2.gz PLVVQLHHAFNVOG-UHFFFAOYSA-N 1 0 290.407 2.493 20 10 CECDRO CC(C)N(C)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921649742 642391049 /nfs/dbraw/zinc/39/10/49/642391049.db2.gz IKEPSGLWAHMETL-UHFFFAOYSA-N 1 0 262.397 2.441 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000877499930 650752532 /nfs/dbraw/zinc/75/25/32/650752532.db2.gz MIIJJMBUCOBOPV-ZDUSSCGKSA-N 1 0 297.420 2.100 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CO1 ZINC000850068964 642565108 /nfs/dbraw/zinc/56/51/08/642565108.db2.gz JVZSQVRIPVMDSW-DOTOQJQBSA-N 1 0 290.407 2.180 20 10 CECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CO1 ZINC000850068965 642565490 /nfs/dbraw/zinc/56/54/90/642565490.db2.gz JVZSQVRIPVMDSW-NVXWUHKLSA-N 1 0 290.407 2.180 20 10 CECDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000186456409 642570654 /nfs/dbraw/zinc/57/06/54/642570654.db2.gz NRAYLTUKMVDDST-CMPLNLGQSA-N 1 0 296.342 2.413 20 10 CECDRO c1cc2c(cc1C[NH2+]CCOC[C@H]1CCCO1)CCCO2 ZINC000921744576 642573591 /nfs/dbraw/zinc/57/35/91/642573591.db2.gz FFHDXURRKJTDBB-MRXNPFEDSA-N 1 0 291.391 2.297 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921746617 642575266 /nfs/dbraw/zinc/57/52/66/642575266.db2.gz GPCDLKVJULEQLV-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877530326 650770375 /nfs/dbraw/zinc/77/03/75/650770375.db2.gz SHHJZONRMVCSGY-HNNXBMFYSA-N 1 0 290.407 2.439 20 10 CECDRO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c(O)c1 ZINC000877530983 650770602 /nfs/dbraw/zinc/77/06/02/650770602.db2.gz HFDWRDIIQHJVIZ-HIFRSBDPSA-N 1 0 262.397 2.473 20 10 CECDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000186475858 642613059 /nfs/dbraw/zinc/61/30/59/642613059.db2.gz CUSWTPBQYZDYDY-ZDUSSCGKSA-N 1 0 278.352 2.021 20 10 CECDRO CCOCc1cc(C[NH2+][C@H](CO)C2CCC2)ccc1OC ZINC000850349516 642676431 /nfs/dbraw/zinc/67/64/31/642676431.db2.gz GSLIACHJOAQLBR-MRXNPFEDSA-N 1 0 293.407 2.482 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](C)n3ncnc32)cc1C ZINC000850352527 642678909 /nfs/dbraw/zinc/67/89/09/642678909.db2.gz ZSOJBHISONZIGT-AAEUAGOBSA-N 1 0 272.352 2.396 20 10 CECDRO CCn1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000850363712 642682907 /nfs/dbraw/zinc/68/29/07/642682907.db2.gz JPJBXVCAEMUHKB-UHFFFAOYSA-N 1 0 299.422 2.267 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1O ZINC000850388802 642695670 /nfs/dbraw/zinc/69/56/70/642695670.db2.gz PVKXGUVHNYLMQP-KBPBESRZSA-N 1 0 277.364 2.184 20 10 CECDRO C[C@](CO)([NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000921828745 642699427 /nfs/dbraw/zinc/69/94/27/642699427.db2.gz VASKBXUTUBLROX-MRXNPFEDSA-N 1 0 261.365 2.262 20 10 CECDRO CCCN(C)CC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850410245 642703812 /nfs/dbraw/zinc/70/38/12/642703812.db2.gz QOHLMRKCMICTRI-UHFFFAOYSA-N 1 0 294.395 2.331 20 10 CECDRO CC[C@@H]([NH2+]CCN(C)OC)c1ccc(N(C)C)cc1 ZINC000850479914 642727278 /nfs/dbraw/zinc/72/72/78/642727278.db2.gz FYLNWRJBZXUGHB-OAHLLOKOSA-N 1 0 265.401 2.287 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCSC3)C2)cc1 ZINC000850489941 642730609 /nfs/dbraw/zinc/73/06/09/642730609.db2.gz YMQXUNBGUSJFGN-STQMWFEESA-N 1 0 278.421 2.369 20 10 CECDRO COC[C@@H]([NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000850489974 642730783 /nfs/dbraw/zinc/73/07/83/642730783.db2.gz ZGDRAMIUHPMDLE-RHSMWYFYSA-N 1 0 290.407 2.289 20 10 CECDRO C[C@@H]([NH2+]C/C=C/CO)c1cc2c(cc1O)CCCC2 ZINC000850510216 642736236 /nfs/dbraw/zinc/73/62/36/642736236.db2.gz VWMHHDAPCRPLIT-ZYOFXKKJSA-N 1 0 261.365 2.470 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCC3)c1 ZINC000850545389 642747656 /nfs/dbraw/zinc/74/76/56/642747656.db2.gz GSHPEMWNUDQMGT-VQISRLSMSA-N 1 0 277.364 2.355 20 10 CECDRO OC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)CC1CC1 ZINC000850546422 642748623 /nfs/dbraw/zinc/74/86/23/642748623.db2.gz ZPSCJIIKKAXUTB-OCCSQVGLSA-N 1 0 261.365 2.378 20 10 CECDRO CC(C)C(=O)NCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921934630 642793416 /nfs/dbraw/zinc/79/34/16/642793416.db2.gz SVFUNASIMYBEDZ-UHFFFAOYSA-N 1 0 290.407 2.264 20 10 CECDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000921939612 642797560 /nfs/dbraw/zinc/79/75/60/642797560.db2.gz ULILMYUOLQLJNA-ZDUSSCGKSA-N 1 0 289.297 2.415 20 10 CECDRO Cc1cccc(O)c1C[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000877560150 650789540 /nfs/dbraw/zinc/78/95/40/650789540.db2.gz IOEALNGXYANTBD-UHFFFAOYSA-N 1 0 260.341 2.232 20 10 CECDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921996795 642831292 /nfs/dbraw/zinc/83/12/92/642831292.db2.gz IHAUCGGDDIVJBJ-RDJZCZTQSA-N 1 0 291.391 2.295 20 10 CECDRO C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000877584094 650800485 /nfs/dbraw/zinc/80/04/85/650800485.db2.gz CECGQNZWTTZSCR-NSHDSACASA-N 1 0 284.350 2.492 20 10 CECDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1c(O)cccc1F ZINC000922534063 643110291 /nfs/dbraw/zinc/11/02/91/643110291.db2.gz UEVMIGDAVCPCMF-LLVKDONJSA-N 1 0 297.374 2.059 20 10 CECDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000922641313 643180205 /nfs/dbraw/zinc/18/02/05/643180205.db2.gz KIFDXQZPJYHHBO-MFKMUULPSA-N 1 0 252.333 2.016 20 10 CECDRO Cc1cc(CC[NH2+]Cc2ccc(N(C)C)cc2)nn1C ZINC000922691920 643208047 /nfs/dbraw/zinc/20/80/47/643208047.db2.gz NFKVZTNDIBDPBD-UHFFFAOYSA-N 1 0 272.396 2.127 20 10 CECDRO CCc1cccc(C[NH2+]Cc2cc(OC)no2)c1O ZINC000877635111 650825839 /nfs/dbraw/zinc/82/58/39/650825839.db2.gz CLQWYDBLFPYCFQ-UHFFFAOYSA-N 1 0 262.309 2.241 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCCn2cccn2)cc1 ZINC000073870128 643341747 /nfs/dbraw/zinc/34/17/47/643341747.db2.gz RCWKQEVYWMDRGA-UHFFFAOYSA-N 1 0 258.369 2.129 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)ccc1N(C)C ZINC000852313812 643389947 /nfs/dbraw/zinc/38/99/47/643389947.db2.gz OCFWZCTUEGJIGZ-INIZCTEOSA-N 1 0 299.422 2.175 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000877657988 650836957 /nfs/dbraw/zinc/83/69/57/650836957.db2.gz SFPGGPNKOAWEHV-NQCMUKECSA-N 1 0 279.405 2.186 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CC3(CC3)C2)cc1 ZINC000852791735 643552688 /nfs/dbraw/zinc/55/26/88/643552688.db2.gz LGVLXYGJJPFTLZ-HNNXBMFYSA-N 1 0 287.407 2.059 20 10 CECDRO CCN(C(=O)C=C1CC[NH2+]CC1)c1ccc(OC)cc1 ZINC000852809241 643561813 /nfs/dbraw/zinc/56/18/13/643561813.db2.gz CCHCURWKZDBRGH-UHFFFAOYSA-N 1 0 274.364 2.358 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1O ZINC000877683595 650848698 /nfs/dbraw/zinc/84/86/98/650848698.db2.gz YXOKOXUZUCLNDY-NBFUAULTSA-N 1 0 273.376 2.468 20 10 CECDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cc1ccc(N)cc1 ZINC000852861325 643580664 /nfs/dbraw/zinc/58/06/64/643580664.db2.gz BOXDUJJYSNAZNB-CQSZACIVSA-N 1 0 289.423 2.048 20 10 CECDRO CN1CCCc2cc(C[NH2+]C[C@@H](O)c3ccccn3)ccc21 ZINC000853098585 643652772 /nfs/dbraw/zinc/65/27/72/643652772.db2.gz OAPWHAIOTKVUDU-GOSISDBHSA-N 1 0 297.402 2.287 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](SC)C2)c1 ZINC000877700248 650857591 /nfs/dbraw/zinc/85/75/91/650857591.db2.gz KFMOUDPBRCNHQL-UMSPYCQHSA-N 1 0 253.367 2.384 20 10 CECDRO Cc1cc(CN2CC[C@]3(CCC[NH2+]3)C2)ccc1N(C)C ZINC000923380527 643687439 /nfs/dbraw/zinc/68/74/39/643687439.db2.gz OQMZWKHWHIRGHB-QGZVFWFLSA-N 1 0 273.424 2.389 20 10 CECDRO OCc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703061 650859655 /nfs/dbraw/zinc/85/96/55/650859655.db2.gz PRCFYNUAVWQSPO-UHFFFAOYSA-N 1 0 255.317 2.400 20 10 CECDRO Cc1cc(CN2C[C@H]([NH3+])C(C)(C)C2)ccc1N(C)C ZINC000923432028 643710021 /nfs/dbraw/zinc/71/00/21/643710021.db2.gz ZVIGOWFFFOUXLA-HNNXBMFYSA-N 1 0 261.413 2.230 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000853247990 643721414 /nfs/dbraw/zinc/72/14/14/643721414.db2.gz IWXAFRQMJVETNA-OBMMGQTPSA-N 1 0 277.387 2.137 20 10 CECDRO CCOc1cccc(C[NH2+]CCOCC(F)(F)F)c1O ZINC000111607860 643907737 /nfs/dbraw/zinc/90/77/37/643907737.db2.gz RGLPSXMSSFROPO-UHFFFAOYSA-N 1 0 293.285 2.459 20 10 CECDRO CCOc1ccc(C[NH+]2CC3(C2)CCOCC3)c(O)c1 ZINC000839141731 644172777 /nfs/dbraw/zinc/17/27/77/644172777.db2.gz XPQHHYBPFFSEMR-UHFFFAOYSA-N 1 0 277.364 2.403 20 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RGWZWFNTZXZMAK-RYUDHWBXSA-N 1 0 293.367 2.293 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756577229 644670161 /nfs/dbraw/zinc/67/01/61/644670161.db2.gz QWVCETGBTNQRQR-ZVWUFJHRSA-N 1 0 283.343 2.067 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CC2(CO)CC2)c2c1c(F)ccc2O ZINC000756638150 644677106 /nfs/dbraw/zinc/67/71/06/644677106.db2.gz RSXCFCWHAIGNDF-ONGXEEELSA-N 1 0 265.328 2.442 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756731402 644687378 /nfs/dbraw/zinc/68/73/78/644687378.db2.gz ABWIPSRITWDOPL-QWRGUYRKSA-N 1 0 271.332 2.233 20 10 CECDRO C[C@@H]([NH2+]CCN1CCC1)c1cc(Cl)ccc1O ZINC000756771063 644691209 /nfs/dbraw/zinc/69/12/09/644691209.db2.gz ZFCTYEGNTLSITJ-SNVBAGLBSA-N 1 0 254.761 2.402 20 10 CECDRO COC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756780234 644691560 /nfs/dbraw/zinc/69/15/60/644691560.db2.gz XSJQCOYRFFDSGM-CKYFFXLPSA-N 1 0 283.343 2.067 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CCCn2cncn2)c2c1c(F)ccc2O ZINC000756830455 644696455 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Cc1cc(N(C)C)ccc1C[NH2+]Cc1cncn1C ZINC000115629144 644969661 /nfs/dbraw/zinc/96/96/61/644969661.db2.gz TXWYWCALHIJNTO-UHFFFAOYSA-N 1 0 258.369 2.084 20 10 CECDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000759173564 644991830 /nfs/dbraw/zinc/99/18/30/644991830.db2.gz QBOWMISSNDHGEC-ZBFHGGJFSA-N 1 0 279.380 2.287 20 10 CECDRO CCCNC(=O)CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858104319 645062716 /nfs/dbraw/zinc/06/27/16/645062716.db2.gz GMGLTCKWUAHNOQ-UHFFFAOYSA-N 1 0 299.365 2.037 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2Cc3ccccc3NC2=O)cc1 ZINC000858281578 645106214 /nfs/dbraw/zinc/10/62/14/645106214.db2.gz UXQVNIFIIYBBAN-KRWDZBQOSA-N 1 0 295.386 2.406 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000760884210 645206608 /nfs/dbraw/zinc/20/66/08/645206608.db2.gz FIXNYMICFTWSDV-NJZAAPMLSA-N 1 0 265.353 2.237 20 10 CECDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000858580164 645208900 /nfs/dbraw/zinc/20/89/00/645208900.db2.gz WQYBOWAAQVFWAV-IUCAKERBSA-N 1 0 286.759 2.105 20 10 CECDRO CCOc1cccc(C[N@H+](C)CC2(O)CCC2)c1O ZINC000761219370 645258061 /nfs/dbraw/zinc/25/80/61/645258061.db2.gz OYRJSBASRMZMEN-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccc(N(C)C)cc1 ZINC000859258671 645439414 /nfs/dbraw/zinc/43/94/14/645439414.db2.gz RQQDEWCUATYQEY-XJKSGUPXSA-N 1 0 292.423 2.069 20 10 CECDRO OCC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1CCOCC1 ZINC000763468366 645548899 /nfs/dbraw/zinc/54/88/99/645548899.db2.gz XOWBVQAJBZEVSE-CQSZACIVSA-N 1 0 299.798 2.313 20 10 CECDRO Oc1cccc2c1C[C@H]([NH2+]Cc1cc(F)ccc1O)C2 ZINC000763482283 645549635 /nfs/dbraw/zinc/54/96/35/645549635.db2.gz YJIHFSDWIZIKHC-CYBMUJFWSA-N 1 0 273.307 2.494 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC3(CC3)C(=O)O2)c1 ZINC000763728019 645570607 /nfs/dbraw/zinc/57/06/07/645570607.db2.gz CSJPBDWZCJZSBX-CMPLNLGQSA-N 1 0 291.347 2.147 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000860131331 645708521 /nfs/dbraw/zinc/70/85/21/645708521.db2.gz RSDYOMRDISKDMD-NUEKZKHPSA-N 1 0 260.381 2.098 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C2(COC)CC2)c1 ZINC000765270175 645751040 /nfs/dbraw/zinc/75/10/40/645751040.db2.gz JXYZVJTXKRBLOA-UHFFFAOYSA-N 1 0 251.326 2.060 20 10 CECDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000765789094 645810033 /nfs/dbraw/zinc/81/00/33/645810033.db2.gz OWVSXOMMYYTSJM-HUUCEWRRSA-N 1 0 291.439 2.124 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(N(C)C)cc1 ZINC000766531593 645899430 /nfs/dbraw/zinc/89/94/30/645899430.db2.gz PGKGHBBOEYHULA-GFCCVEGCSA-N 1 0 298.390 2.097 20 10 CECDRO COc1cccc(O)c1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000768257560 646102179 /nfs/dbraw/zinc/10/21/79/646102179.db2.gz MPLTVJGNLOREAR-LBPRGKRZSA-N 1 0 277.364 2.402 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1C ZINC000768465196 646128023 /nfs/dbraw/zinc/12/80/23/646128023.db2.gz YNNSFAYHGUBEGW-BFVZDQMLSA-N 1 0 263.337 2.048 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c(O)c1 ZINC000768537656 646136876 /nfs/dbraw/zinc/13/68/76/646136876.db2.gz RIQGHVZKIQCGOW-RYUDHWBXSA-N 1 0 265.353 2.400 20 10 CECDRO O=C1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)CCCN1 ZINC000769115960 646209360 /nfs/dbraw/zinc/20/93/60/646209360.db2.gz QRJBVYSBXFBZNU-UHFFFAOYSA-N 1 0 296.370 2.381 20 10 CECDRO CCOc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(O)c1 ZINC000769162261 646217845 /nfs/dbraw/zinc/21/78/45/646217845.db2.gz USFXDYVACJZXOR-HNNXBMFYSA-N 1 0 290.407 2.461 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CCOCC ZINC000769728423 646308105 /nfs/dbraw/zinc/30/81/05/646308105.db2.gz LLWSKVFTLGGIQS-OAHLLOKOSA-N 1 0 281.396 2.392 20 10 CECDRO CC[NH+]1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862211549 646364630 /nfs/dbraw/zinc/36/46/30/646364630.db2.gz JRPCZUAZUCXGJY-UHFFFAOYSA-N 1 0 283.366 2.168 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCSC[C@@H]2CCO)cc1 ZINC000770306359 646378065 /nfs/dbraw/zinc/37/80/65/646378065.db2.gz OWCBQNBJBKOWNT-HNNXBMFYSA-N 1 0 280.437 2.052 20 10 CECDRO CN(C)c1cc(F)c(C[N@H+](C)CC(C)(C)CO)cc1F ZINC000862385121 646430198 /nfs/dbraw/zinc/43/01/98/646430198.db2.gz PGESOYMWULBVPI-UHFFFAOYSA-N 1 0 286.366 2.481 20 10 CECDRO C[N@H+](Cc1c(O)cccc1Br)C1(CO)CC1 ZINC000862417731 646452715 /nfs/dbraw/zinc/45/27/15/646452715.db2.gz HLBJWVSRTAPOTH-UHFFFAOYSA-N 1 0 286.169 2.111 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000862465594 646470565 /nfs/dbraw/zinc/47/05/65/646470565.db2.gz RTMHLPCYNRSANN-GFCCVEGCSA-N 1 0 281.739 2.397 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCC1)c1ccc(N(C)C)cc1 ZINC000773091519 646705499 /nfs/dbraw/zinc/70/54/99/646705499.db2.gz HSUAQKRHKZAAPC-MRXNPFEDSA-N 1 0 261.413 2.499 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000773101146 646706563 /nfs/dbraw/zinc/70/65/63/646706563.db2.gz ANZKKUGLAARCRC-DOMZBBRYSA-N 1 0 298.452 2.226 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)cc1 ZINC000773822310 646777447 /nfs/dbraw/zinc/77/74/47/646777447.db2.gz UNLWISYFEIZJFK-MRXNPFEDSA-N 1 0 262.397 2.490 20 10 CECDRO C[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccccc1O ZINC000775135861 646926208 /nfs/dbraw/zinc/92/62/08/646926208.db2.gz GZUKVHLEEZHBKT-NHYWBVRUSA-N 1 0 270.332 2.269 20 10 CECDRO CCOC(=O)CC[N@H+](Cc1cc(OC)ccc1O)C1CC1 ZINC000775665017 646977757 /nfs/dbraw/zinc/97/77/57/646977757.db2.gz WPMPOZXNSPJBHQ-UHFFFAOYSA-N 1 0 293.363 2.318 20 10 CECDRO C[C@@H]([NH2+]CCC1OCCO1)c1ccc(N(C)C)cc1 ZINC000775830476 646997101 /nfs/dbraw/zinc/99/71/01/646997101.db2.gz JZVJUGKWQVIXIN-GFCCVEGCSA-N 1 0 264.369 2.166 20 10 CECDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc(F)ccc1O ZINC000775983638 647012981 /nfs/dbraw/zinc/01/29/81/647012981.db2.gz CGMZNZVTZXQKLF-GHMZBOCLSA-N 1 0 252.333 2.056 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)c1O ZINC000775981341 647013579 /nfs/dbraw/zinc/01/35/79/647013579.db2.gz PNLOAFFFRLBDNL-OLZOCXBDSA-N 1 0 278.396 2.315 20 10 CECDRO C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000775986906 647014689 /nfs/dbraw/zinc/01/46/89/647014689.db2.gz SNMLISOYSZIKOX-UONOGXRCSA-N 1 0 261.413 2.277 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCn3ccnc3C2)c1O ZINC000778187008 647206769 /nfs/dbraw/zinc/20/67/69/647206769.db2.gz CGKYHGRJGUJCDR-CYBMUJFWSA-N 1 0 287.363 2.092 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCn3ccnc3C2)c1 ZINC000778188722 647207150 /nfs/dbraw/zinc/20/71/50/647207150.db2.gz IDEYEZPSSXEIFK-CYBMUJFWSA-N 1 0 257.337 2.002 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(F)ccc1O ZINC000779067753 647284583 /nfs/dbraw/zinc/28/45/83/647284583.db2.gz ZOEQBHSIFMLRNV-CMPLNLGQSA-N 1 0 275.327 2.393 20 10 CECDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(F)ccc1O ZINC000779088639 647286686 /nfs/dbraw/zinc/28/66/86/647286686.db2.gz SPIJDKVWCPCRTD-ZWNOBZJWSA-N 1 0 255.333 2.418 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cnc3c(cnn3C)c2)c1 ZINC000865640867 647402282 /nfs/dbraw/zinc/40/22/82/647402282.db2.gz PWYGOYOLAATMIU-UHFFFAOYSA-N 1 0 282.347 2.272 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H](O)C(F)(F)F ZINC000865712469 647435078 /nfs/dbraw/zinc/43/50/78/647435078.db2.gz YHSMYVMMLVPYEX-QPUJVOFHSA-N 1 0 294.292 2.293 20 10 CECDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C)c(O)c1O ZINC000780944333 647483588 /nfs/dbraw/zinc/48/35/88/647483588.db2.gz LZRXTXTZZBDZPA-LBPRGKRZSA-N 1 0 292.379 2.010 20 10 CECDRO COc1cccc(C[N@@H+]2CCOCC3(CC3)C2)c1O ZINC000783598913 647735312 /nfs/dbraw/zinc/73/53/12/647735312.db2.gz FRFABMZSZYTQDV-UHFFFAOYSA-N 1 0 263.337 2.013 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c1O ZINC000783738381 647754916 /nfs/dbraw/zinc/75/49/16/647754916.db2.gz SYLMFSYUQAUFJL-SRVKXCTJSA-N 1 0 265.353 2.399 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1 ZINC000785987207 647975813 /nfs/dbraw/zinc/97/58/13/647975813.db2.gz GJJRDIGHVQWXPO-HUBLWGQQSA-N 1 0 279.380 2.382 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)COCC2CC2)c(O)c1 ZINC000788584284 648204685 /nfs/dbraw/zinc/20/46/85/648204685.db2.gz NIFVZRJSEJXWJR-HIFRSBDPSA-N 1 0 293.407 2.447 20 10 CECDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000791058216 648477972 /nfs/dbraw/zinc/47/79/72/648477972.db2.gz BRXJZHZVYPFAHJ-LBPRGKRZSA-N 1 0 282.409 2.304 20 10 CECDRO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000870988743 648971152 /nfs/dbraw/zinc/97/11/52/648971152.db2.gz YHISYCWJDHQPEZ-CHWSQXEVSA-N 1 0 276.380 2.349 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000872266527 649334844 /nfs/dbraw/zinc/33/48/44/649334844.db2.gz XAKZSQDHNFWTNK-ZOSBBBERSA-N 1 0 272.392 2.344 20 10 CECDRO CC[C@H]1COCCN1CC[NH2+]Cc1c(O)cccc1Cl ZINC000873187850 649582178 /nfs/dbraw/zinc/58/21/78/649582178.db2.gz BGPZUSJOWZQMBC-LBPRGKRZSA-N 1 0 298.814 2.246 20 10 CECDRO C[C@H]([NH2+]Cc1cccc(F)c1[O-])C1CC[NH2+]CC1 ZINC000873222499 649596943 /nfs/dbraw/zinc/59/69/43/649596943.db2.gz WSRHAQHQIYXSPQ-JTQLQIEISA-N 1 0 252.333 2.009 20 10 CECDRO CN(C)c1ccc(CN[C@@]23CCC[C@H]2[NH2+]CC3)cc1F ZINC000873230056 649601272 /nfs/dbraw/zinc/60/12/72/649601272.db2.gz LPTXTRAYQKUUQJ-HZPDHXFCSA-N 1 0 277.387 2.266 20 10 CECDRO COc1ccc(C[NH2+]Cc2cccc(C)c2O)cn1 ZINC000124693398 649726470 /nfs/dbraw/zinc/72/64/70/649726470.db2.gz OIYYOHVKUPOCDC-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[NH+](C)C ZINC000873967456 649733707 /nfs/dbraw/zinc/73/37/07/649733707.db2.gz GYFHSDQAUAMVSA-CYBMUJFWSA-N 1 0 289.423 2.194 20 10 CECDRO CO[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@](C)(CO)C1 ZINC000879261427 651272480 /nfs/dbraw/zinc/27/24/80/651272480.db2.gz KGBLYOSVXKSPMG-WBVHZDCISA-N 1 0 292.423 2.033 20 10 CECDRO CCCCCNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647972 651334967 /nfs/dbraw/zinc/33/49/67/651334967.db2.gz TYLCWRQPORWINB-GFCCVEGCSA-N 1 0 264.369 2.349 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCC[C@H]2NC1=O)c1ccccc1O ZINC000879649660 651335200 /nfs/dbraw/zinc/33/52/00/651335200.db2.gz BIDHWXKDJJIONL-CTHBEMJXSA-N 1 0 288.391 2.490 20 10 CECDRO C[C@@H]([NH2+]CCc1nnn(C(C)(C)C)n1)c1ccccc1O ZINC000879650098 651335746 /nfs/dbraw/zinc/33/57/46/651335746.db2.gz IPOOQPJPKQPNDL-LLVKDONJSA-N 1 0 289.383 2.027 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c1O ZINC000880145155 651392060 /nfs/dbraw/zinc/39/20/60/651392060.db2.gz HZCDCZPKGOHTCN-GFCCVEGCSA-N 1 0 295.354 2.327 20 10 CECDRO Cc1cc(Cn2cc([C@@H]([NH3+])C(C)C)nn2)ccc1N(C)C ZINC000881377966 651701969 /nfs/dbraw/zinc/70/19/69/651701969.db2.gz ZYMYUWUVPHGGKX-INIZCTEOSA-N 1 0 287.411 2.357 20 10 CECDRO Cc1cc(Cn2cc([C@H]([NH3+])C(C)C)nn2)ccc1N(C)C ZINC000881377967 651702057 /nfs/dbraw/zinc/70/20/57/651702057.db2.gz ZYMYUWUVPHGGKX-MRXNPFEDSA-N 1 0 287.411 2.357 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccncc3N)C2)cc1 ZINC000883165938 652385792 /nfs/dbraw/zinc/38/57/92/652385792.db2.gz PEFOWVVQJBAPCJ-AWEZNQCLSA-N 1 0 298.390 2.041 20 10 CECDRO OC[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccoc1 ZINC000883268694 652419296 /nfs/dbraw/zinc/41/92/96/652419296.db2.gz QMVXDXTTYVLTPZ-HNNXBMFYSA-N 1 0 287.359 2.155 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1cnn2ccccc12 ZINC000134397945 652832595 /nfs/dbraw/zinc/83/25/95/652832595.db2.gz DQTYWXZHRVOSGX-UHFFFAOYSA-N 1 0 253.305 2.330 20 10 CECDRO CC(C)NC(=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000134652458 652868298 /nfs/dbraw/zinc/86/82/98/652868298.db2.gz AZAGHSGWNMTSPI-UHFFFAOYSA-N 1 0 270.760 2.050 20 10 CECDRO COCC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000134906141 652886971 /nfs/dbraw/zinc/88/69/71/652886971.db2.gz FHZLZXXPBSEVSC-MRVPVSSYSA-N 1 0 274.158 2.452 20 10 CECDRO CN(CC[NH+]1CCCC1)Cc1cc(F)c(F)cc1O ZINC001142527141 806619463 /nfs/dbraw/zinc/61/94/63/806619463.db2.gz MCRCDMYUOJZBGB-UHFFFAOYSA-N 1 0 270.323 2.198 20 10 CECDRO CC[C@@H]([NH2+]C[C@]1(OC)CCOC1)c1ccccc1O ZINC000160140991 806856540 /nfs/dbraw/zinc/85/65/40/806856540.db2.gz GFXSMNUTQTYWTF-UKRRQHHQSA-N 1 0 265.353 2.238 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(Br)cc1O ZINC000382327557 802632964 /nfs/dbraw/zinc/63/29/64/802632964.db2.gz VNASZFKZKGIVHR-AVPPRXQKSA-N 1 0 286.169 2.329 20 10 CECDRO C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1[O-])[NH+](C)C ZINC000703379318 809645562 /nfs/dbraw/zinc/64/55/62/809645562.db2.gz HZKBJPPGVVMHQE-SECBINFHSA-N 1 0 258.312 2.100 20 10 CECDRO C[C@@]1([NH2+]Cc2c(O)cccc2Br)CCOC1 ZINC000706868316 802847028 /nfs/dbraw/zinc/84/70/28/802847028.db2.gz FADBNYHLLXNXIV-GFCCVEGCSA-N 1 0 286.169 2.423 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000724604415 803194634 /nfs/dbraw/zinc/19/46/34/803194634.db2.gz PQRUIKKWDGNGMO-VLXAULBPSA-N 1 0 277.364 2.155 20 10 CECDRO COc1cccc(C[NH2+][C@H](CCO)C2CCCC2)c1O ZINC000725076717 803420849 /nfs/dbraw/zinc/42/08/49/803420849.db2.gz JSNAWMZKBCNWEH-CQSZACIVSA-N 1 0 279.380 2.432 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](CCO)C2CCCC2)c1 ZINC000725075693 803422300 /nfs/dbraw/zinc/42/23/00/803422300.db2.gz AMKLLNZWZFVPEM-HNNXBMFYSA-N 1 0 279.380 2.432 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(O)c1 ZINC000724814321 803489549 /nfs/dbraw/zinc/48/95/49/803489549.db2.gz NAKPKNHEBWDAEK-IUODEOHRSA-N 1 0 263.337 2.012 20 10 CECDRO COC[C@H](CC[NH2+][C@@H](C)c1ccccc1O)OC ZINC000694239157 803522021 /nfs/dbraw/zinc/52/20/21/803522021.db2.gz XPANRNQTVGDLIS-RYUDHWBXSA-N 1 0 253.342 2.094 20 10 CECDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000694329040 803534235 /nfs/dbraw/zinc/53/42/35/803534235.db2.gz HEURKECEPHMLAR-NEPJUHHUSA-N 1 0 286.169 2.422 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccccc1O ZINC000694515737 803560268 /nfs/dbraw/zinc/56/02/68/803560268.db2.gz QUEGGZPVRODAIP-VXGBXAGGSA-N 1 0 283.393 2.010 20 10 CECDRO CCCN(C[C@@]1(OC)CCOC1)c1ccc(C[NH3+])cc1 ZINC000692493636 803595850 /nfs/dbraw/zinc/59/58/50/803595850.db2.gz DBMSZGAGHCIONW-INIZCTEOSA-N 1 0 278.396 2.167 20 10 CECDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921641 803606408 /nfs/dbraw/zinc/60/64/08/803606408.db2.gz LJRNDDXAVSPIFZ-MFKMUULPSA-N 1 0 268.788 2.361 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001118269366 814999391 /nfs/dbraw/zinc/99/93/91/814999391.db2.gz DLKNCTRPRPKJMR-ZKYQVNSYSA-N 1 0 292.379 2.096 20 10 CECDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000037126597 815012349 /nfs/dbraw/zinc/01/23/49/815012349.db2.gz FREOPVUQABEYJX-RYUDHWBXSA-N 1 0 294.395 2.308 20 10 CECDRO Oc1c(CN2CCC[NH2+]CC2)ccc2ccccc21 ZINC001204675659 804537001 /nfs/dbraw/zinc/53/70/01/804537001.db2.gz TZGMUCWODOIAQC-UHFFFAOYSA-N 1 0 256.349 2.341 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CO[C@H](C)C2)c1O ZINC000402008576 804641953 /nfs/dbraw/zinc/64/19/53/804641953.db2.gz RIYOXBRVZOEFBJ-LDYMZIIASA-N 1 0 271.744 2.321 20 10 CECDRO CCC[N@@H+]1CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC001118995634 815062832 /nfs/dbraw/zinc/06/28/32/815062832.db2.gz INKKJAQQKBVWLA-HNNXBMFYSA-N 1 0 288.391 2.499 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1 ZINC000696063726 807131443 /nfs/dbraw/zinc/13/14/43/807131443.db2.gz PDHNDDBKTYQRIL-QWRGUYRKSA-N 1 0 265.353 2.212 20 10 CECDRO CCOc1cccc(C[NH2+]CCO[C@@H]2CC2(F)F)c1O ZINC000690732131 807248323 /nfs/dbraw/zinc/24/83/23/807248323.db2.gz PQUIDGJHXFAGDY-GFCCVEGCSA-N 1 0 287.306 2.305 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC001119517299 815124237 /nfs/dbraw/zinc/12/42/37/815124237.db2.gz RHQDKJCOWDIXNP-OAHLLOKOSA-N 1 0 291.391 2.064 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)C2CCCC2)cc1C ZINC001122486662 807695737 /nfs/dbraw/zinc/69/57/37/807695737.db2.gz MUZIPNSPRCNLAP-UHFFFAOYSA-N 1 0 290.407 2.400 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nccnc2C)c1 ZINC000699907634 807905698 /nfs/dbraw/zinc/90/56/98/807905698.db2.gz CGDYZUYJOSZEGH-SNVBAGLBSA-N 1 0 273.336 2.350 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCS(=O)CC1 ZINC001119947473 815175658 /nfs/dbraw/zinc/17/56/58/815175658.db2.gz SUKRUQMQDYDFHL-UHFFFAOYSA-N 1 0 280.437 2.062 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2CCCCCCO ZINC000700831559 809358698 /nfs/dbraw/zinc/35/86/98/809358698.db2.gz RZRBIVGIBANXFT-UHFFFAOYSA-N 1 0 262.397 2.451 20 10 CECDRO Cc1cc(CN2CCCc3cc(C[NH3+])ccc32)on1 ZINC000700923893 809373902 /nfs/dbraw/zinc/37/39/02/809373902.db2.gz JJHAXEQJEMTYHM-UHFFFAOYSA-N 1 0 257.337 2.395 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)c1O ZINC000701567176 809443238 /nfs/dbraw/zinc/44/32/38/809443238.db2.gz HNGBHNYMFBPJRZ-AAEUAGOBSA-N 1 0 265.353 2.448 20 10 CECDRO C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703327110 809638305 /nfs/dbraw/zinc/63/83/05/809638305.db2.gz GGTZPVWCGNBQNP-JTQLQIEISA-N 1 0 270.323 2.102 20 10 CECDRO COc1cncc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000704139498 809723313 /nfs/dbraw/zinc/72/33/13/809723313.db2.gz BGCGYPILOVJZAY-UHFFFAOYSA-N 1 0 270.332 2.315 20 10 CECDRO C[C@](O)(C[NH2+]Cc1ccc(N2CCCC2)cc1)C(F)F ZINC000704947151 809762365 /nfs/dbraw/zinc/76/23/65/809762365.db2.gz OWQNDJXHQOZNCJ-HNNXBMFYSA-N 1 0 284.350 2.393 20 10 CECDRO COCCC[NH2+]Cc1c(O)cccc1Br ZINC000706829122 809855285 /nfs/dbraw/zinc/85/52/85/809855285.db2.gz LQCLQXUWQXZNCG-UHFFFAOYSA-N 1 0 274.158 2.281 20 10 CECDRO CN1CCC[C@@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000706855614 809857404 /nfs/dbraw/zinc/85/74/04/809857404.db2.gz IFLZOTOYDDSCBR-SNVBAGLBSA-N 1 0 299.212 2.339 20 10 CECDRO CN1CCC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706855626 809857925 /nfs/dbraw/zinc/85/79/25/809857925.db2.gz IOKZQZZPXAZRJW-JTQLQIEISA-N 1 0 299.212 2.339 20 10 CECDRO CC[N@@H+]1CCN(Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000708397967 809928723 /nfs/dbraw/zinc/92/87/23/809928723.db2.gz DQPHJUPGPOCJOB-JTQLQIEISA-N 1 0 270.323 2.196 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@@H](OC)C2)c1 ZINC000708664240 809933196 /nfs/dbraw/zinc/93/31/96/809933196.db2.gz AHJHUHIAVRICPF-WZRBSPASSA-N 1 0 265.353 2.476 20 10 CECDRO C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708516489 809944333 /nfs/dbraw/zinc/94/43/33/809944333.db2.gz IVJCGBMKGZLYDF-UHFFFAOYSA-N 1 0 272.339 2.348 20 10 CECDRO c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)cc2c1OCC2 ZINC001172219847 815336434 /nfs/dbraw/zinc/33/64/34/815336434.db2.gz PDWOJYNSLODFHO-GOOCMWNKSA-N 1 0 259.349 2.421 20 10 CECDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)CO1 ZINC000711220638 810050229 /nfs/dbraw/zinc/05/02/29/810050229.db2.gz UKTNMKBOMIAIQA-NEPJUHHUSA-N 1 0 251.326 2.058 20 10 CECDRO COC(=O)C1(C)CCC([NH2+]Cc2cccc(O)c2O)CC1 ZINC001168763999 810164074 /nfs/dbraw/zinc/16/40/74/810164074.db2.gz JYMAFTRPINDNNM-UHFFFAOYSA-N 1 0 293.363 2.309 20 10 CECDRO CC[C@@H](C)OCC[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172323158 815372806 /nfs/dbraw/zinc/37/28/06/815372806.db2.gz GISUKJWJTCWNNO-VXGBXAGGSA-N 1 0 295.379 2.464 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(Br)ccc1O ZINC000378720499 810666406 /nfs/dbraw/zinc/66/64/06/810666406.db2.gz FVGTWFMTADDOAH-NYRNMGCKSA-N 1 0 286.169 2.329 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3CC3)C2)cc1C ZINC001019916692 810749812 /nfs/dbraw/zinc/74/98/12/810749812.db2.gz MULKYGYXCKLHHV-SHTZXODSSA-N 1 0 288.391 2.150 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(C)=O)C2)cc1C ZINC001086009075 811004035 /nfs/dbraw/zinc/00/40/35/811004035.db2.gz RUTOTESIQNFDRY-GASCZTMLSA-N 1 0 276.380 2.008 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1O ZINC001168982091 811309606 /nfs/dbraw/zinc/30/96/06/811309606.db2.gz IKVJRLGUQSKPPG-WOPDTQHZSA-N 1 0 264.325 2.488 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000691464454 811899188 /nfs/dbraw/zinc/89/91/88/811899188.db2.gz RCQJYNIZBRGBRL-WFASDCNBSA-N 1 0 263.337 2.058 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001172778319 815518261 /nfs/dbraw/zinc/51/82/61/815518261.db2.gz ULFWYGVNWNQFEY-CHWSQXEVSA-N 1 0 293.363 2.309 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2O)CCO1 ZINC001170176530 812323855 /nfs/dbraw/zinc/32/38/55/812323855.db2.gz YALKFPDCCZFAAW-DGCLKSJQSA-N 1 0 251.326 2.145 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CCO1 ZINC001170178958 812325321 /nfs/dbraw/zinc/32/53/21/812325321.db2.gz RVHLZODEAIWGIS-VXGBXAGGSA-N 1 0 251.326 2.145 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2C[C@@H]2C)cc1C ZINC001133357362 813035627 /nfs/dbraw/zinc/03/56/27/813035627.db2.gz XEJDDESSABZSTA-WFASDCNBSA-N 1 0 290.407 2.256 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(C)=O)cc1C ZINC001133431898 813055589 /nfs/dbraw/zinc/05/55/89/813055589.db2.gz LQTHRYNXIAOGRY-OLZOCXBDSA-N 1 0 278.396 2.396 20 10 CECDRO CC(C)(CO)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000385923822 813148098 /nfs/dbraw/zinc/14/80/98/813148098.db2.gz TYEDGVSXDVTQNI-UHFFFAOYSA-N 1 0 292.423 2.021 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H](C)O ZINC000386742854 813188904 /nfs/dbraw/zinc/18/89/04/813188904.db2.gz YVRSUHPZBSMSIU-KCJUWKMLSA-N 1 0 273.760 2.303 20 10 CECDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccccc1O ZINC000387604829 813216633 /nfs/dbraw/zinc/21/66/33/813216633.db2.gz WYUFSJSCPFWUFR-LBPRGKRZSA-N 1 0 264.369 2.033 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000387939195 813226164 /nfs/dbraw/zinc/22/61/64/813226164.db2.gz CVFUOCIPHFVCQU-MRXNPFEDSA-N 1 0 296.370 2.238 20 10 CECDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1cc(Br)ccc1O ZINC000390594164 813267017 /nfs/dbraw/zinc/26/70/17/813267017.db2.gz TYLJKEONMWQSFY-KWQFWETISA-N 1 0 285.185 2.076 20 10 CECDRO CCN1C[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000391552897 813285986 /nfs/dbraw/zinc/28/59/86/813285986.db2.gz UUYHGPAROUKKCV-JSGCOSHPSA-N 1 0 275.396 2.024 20 10 CECDRO C[C@@H](CC[NH+](C)C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001135689504 813502760 /nfs/dbraw/zinc/50/27/60/813502760.db2.gz GFLHACXHIQRWHG-AWEZNQCLSA-N 1 0 291.439 2.299 20 10 CECDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cccc(O)c2O)CC1 ZINC001136056626 813595749 /nfs/dbraw/zinc/59/57/49/813595749.db2.gz VLGBOKPSZDIONH-UHFFFAOYSA-N 1 0 292.379 2.043 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2conc2C)c1O ZINC000397963802 813649489 /nfs/dbraw/zinc/64/94/89/813649489.db2.gz WKZJKCRGVQFRKS-UHFFFAOYSA-N 1 0 262.309 2.377 20 10 CECDRO COCCC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000398062090 813654613 /nfs/dbraw/zinc/65/46/13/813654613.db2.gz KLGGIYUVOUFBEP-UHFFFAOYSA-N 1 0 267.325 2.026 20 10 CECDRO C[C@]1(F)CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]1F ZINC001144504099 814092148 /nfs/dbraw/zinc/09/21/48/814092148.db2.gz LSPFYFGBVALFLJ-OLZOCXBDSA-N 1 0 273.279 2.075 20 10 CECDRO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144507887 814094208 /nfs/dbraw/zinc/09/42/08/814094208.db2.gz DWPQFFDLDQROST-RSAASHCRSA-N 1 0 293.363 2.050 20 10 CECDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144514925 814098319 /nfs/dbraw/zinc/09/83/19/814098319.db2.gz XYSMWWSGMFGBSR-NXEZZACHSA-N 1 0 251.326 2.281 20 10 CECDRO CC(C)[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137831453 815691114 /nfs/dbraw/zinc/69/11/14/815691114.db2.gz ACFMTWYJWLGIDV-UHFFFAOYSA-N 1 0 252.333 2.057 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@@]3(CCNC3=O)C2)c2ccccc2n1C ZINC001138254029 815754359 /nfs/dbraw/zinc/75/43/59/815754359.db2.gz OEWRHZVKTRGKLV-SFHVURJKSA-N 1 0 297.402 2.199 20 10 CECDRO Cc1c(C[N@@H+]2CCOC[C@@](C)(O)C2)c2ccccc2n1C ZINC001138252965 815754835 /nfs/dbraw/zinc/75/48/35/815754835.db2.gz YKRWRRATUOQVLF-KRWDZBQOSA-N 1 0 288.391 2.070 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCC[C@H](O)C3)ccc21 ZINC001138354397 815773263 /nfs/dbraw/zinc/77/32/63/815773263.db2.gz IBRKUQRHPYKUPU-HNNXBMFYSA-N 1 0 260.381 2.026 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H](O)C3)ccc21 ZINC001138354398 815773353 /nfs/dbraw/zinc/77/33/53/815773353.db2.gz IBRKUQRHPYKUPU-OAHLLOKOSA-N 1 0 260.381 2.026 20 10 CECDRO COCC[NH+](CCOC)Cc1ccc2c(c1)CCCN2C ZINC001138354856 815774190 /nfs/dbraw/zinc/77/41/90/815774190.db2.gz WWSUFFWKIDUQMM-UHFFFAOYSA-N 1 0 292.423 2.164 20 10 CECDRO COc1cc(CN2CC[C@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139255631 815996877 /nfs/dbraw/zinc/99/68/77/815996877.db2.gz QZLLIBLHNBUTLI-ZDUSSCGKSA-N 1 0 282.359 2.006 20 10 CECDRO O=C1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H]12 ZINC001140056404 816179482 /nfs/dbraw/zinc/17/94/82/816179482.db2.gz VWLYPTIJRCPVEL-GWCFXTLKSA-N 1 0 263.312 2.332 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1O ZINC001140058094 816181301 /nfs/dbraw/zinc/18/13/01/816181301.db2.gz SNKPMVFNJVSFGP-MFKMUULPSA-N 1 0 253.317 2.124 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCCC3(C2)OCCO3)c1O ZINC001140184488 816206118 /nfs/dbraw/zinc/20/61/18/816206118.db2.gz WGTPNJIUUUOUNV-UHFFFAOYSA-N 1 0 277.364 2.348 20 10 CECDRO CC(=O)N1CCC([N@H+](C)Cc2c(O)cccc2Cl)CC1 ZINC001140341550 816237500 /nfs/dbraw/zinc/23/75/00/816237500.db2.gz VVHIIQJXDHMRNP-UHFFFAOYSA-N 1 0 296.798 2.488 20 10 CECDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001140338558 816238862 /nfs/dbraw/zinc/23/88/62/816238862.db2.gz LKLMIDPRODCZBG-DGCLKSJQSA-N 1 0 253.729 2.409 20 10 CECDRO CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140461604 816259591 /nfs/dbraw/zinc/25/95/91/816259591.db2.gz NFAVKZUVWOPCQX-UHFFFAOYSA-N 1 0 282.771 2.146 20 10 CECDRO Oc1cc(Cl)ccc1C[N@H+]1CCc2nccn2CC1 ZINC001140465236 816261056 /nfs/dbraw/zinc/26/10/56/816261056.db2.gz JFEHWSVLOXLJLJ-UHFFFAOYSA-N 1 0 277.755 2.300 20 10 CECDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(Cl)cc1O ZINC001140468464 816261800 /nfs/dbraw/zinc/26/18/00/816261800.db2.gz LXTXUBURUKNLLM-STQMWFEESA-N 1 0 266.772 2.324 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140619489 816305474 /nfs/dbraw/zinc/30/54/74/816305474.db2.gz FIEDUEXGEDWVFV-CHWSQXEVSA-N 1 0 277.364 2.474 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(O)C2)c(O)c1 ZINC001140850513 816383416 /nfs/dbraw/zinc/38/34/16/816383416.db2.gz NOIQFRXZHUXGHE-INIZCTEOSA-N 1 0 278.396 2.195 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)c(O)c1 ZINC001140850145 816383930 /nfs/dbraw/zinc/38/39/30/816383930.db2.gz DXXFVLAXTVOREK-QGZVFWFLSA-N 1 0 292.423 2.443 20 10 CECDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1ccc(C)cc1O ZINC001140955434 816424162 /nfs/dbraw/zinc/42/41/62/816424162.db2.gz WXDALYJWLGKFDQ-ZLDLUXBVSA-N 1 0 275.348 2.227 20 10 CECDRO c1c(C[NH+]2CC3(COC3)C2)cc2c3c1CCCN3CCC2 ZINC001141074787 816469644 /nfs/dbraw/zinc/46/96/44/816469644.db2.gz SPSVAHUKAYZXBA-UHFFFAOYSA-N 1 0 284.403 2.218 20 10 CECDRO COCC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141158696 816490440 /nfs/dbraw/zinc/49/04/40/816490440.db2.gz KICGJSSDPYZGHN-ZDUSSCGKSA-N 1 0 265.353 2.489 20 10 CECDRO CCOc1cccc(C[NH2+]C2(CO)CCSCC2)c1O ZINC000839177436 816567110 /nfs/dbraw/zinc/56/71/10/816567110.db2.gz KXUMGJDVMSUUGG-UHFFFAOYSA-N 1 0 297.420 2.139 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CC[C@]1(C)O ZINC001142508915 816677626 /nfs/dbraw/zinc/67/76/26/816677626.db2.gz PRVWSDSHPMYDQW-XPTSAGLGSA-N 1 0 271.307 2.263 20 10 CECDRO Cc1nnc(CC[NH2+][C@H]2CCc3cccc(O)c32)s1 ZINC000297470143 282313415 /nfs/dbraw/zinc/31/34/15/282313415.db2.gz YMYZLFXNSRLVMI-NSHDSACASA-N 1 0 275.377 2.372 20 10 CECDRO Cc1nnsc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297424936 282374169 /nfs/dbraw/zinc/37/41/69/282374169.db2.gz UXJTVGGXRBGMJP-JTQLQIEISA-N 1 0 261.350 2.329 20 10 CECDRO Oc1ccccc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000062183915 362713190 /nfs/dbraw/zinc/71/31/90/362713190.db2.gz IXXREPDAKPCIFM-UHFFFAOYSA-N 1 0 269.348 2.109 20 10 CECDRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccccc2O)C1 ZINC000000245139 361151386 /nfs/dbraw/zinc/15/13/86/361151386.db2.gz BGTJGEQBHLWNGX-DZGCQCFKSA-N 1 0 296.370 2.173 20 10 CECDRO COCC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000156034834 366825870 /nfs/dbraw/zinc/82/58/70/366825870.db2.gz OSGBEBYGUNLWRZ-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(c3nncn3C)CC2)cc1 ZINC000091794729 364072531 /nfs/dbraw/zinc/07/25/31/364072531.db2.gz DZXMTLSYUKSMOS-UHFFFAOYSA-N 1 0 299.422 2.261 20 10 CECDRO CC[N@H+](Cc1cnn(C)c1)Cc1cccc(OC)c1O ZINC000092438025 364076646 /nfs/dbraw/zinc/07/66/46/364076646.db2.gz UQYLONNFPNAYNK-UHFFFAOYSA-N 1 0 275.352 2.156 20 10 CECDRO CC[C@@H]([NH2+]CC[C@@H](O)COC)c1ccc(N(C)C)cc1 ZINC000090951331 364067983 /nfs/dbraw/zinc/06/79/83/364067983.db2.gz AYRHNWSCECDKID-HZPDHXFCSA-N 1 0 280.412 2.191 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)Cc2cnccn2)cc1C ZINC000092591116 364086393 /nfs/dbraw/zinc/08/63/93/364086393.db2.gz SCGWAPOTKSDPJO-UHFFFAOYSA-N 1 0 257.337 2.431 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000093813698 364231256 /nfs/dbraw/zinc/23/12/56/364231256.db2.gz UEGBENAQPXNLES-CQSZACIVSA-N 1 0 283.755 2.431 20 10 CECDRO COc1cccc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000171829351 367624175 /nfs/dbraw/zinc/62/41/75/367624175.db2.gz QMSGROHMCUJADE-UHFFFAOYSA-N 1 0 258.321 2.428 20 10 CECDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(C)c3O)[C@@H]2C1 ZINC000245871581 370882656 /nfs/dbraw/zinc/88/26/56/370882656.db2.gz RUESITPTPINVBL-BZUAXINKSA-N 1 0 291.391 2.469 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c(O)c1 ZINC000180195643 368371294 /nfs/dbraw/zinc/37/12/94/368371294.db2.gz UOHHTYXRPGCUIU-OAHLLOKOSA-N 1 0 265.353 2.138 20 10 CECDRO Oc1ccc(F)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000180005797 368363070 /nfs/dbraw/zinc/36/30/70/368363070.db2.gz GRVFWLADEFWJFN-CQSZACIVSA-N 1 0 264.344 2.201 20 10 CECDRO COCC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180078990 368366298 /nfs/dbraw/zinc/36/62/98/368366298.db2.gz VCOATTXKQMGODU-UHFFFAOYSA-N 1 0 253.317 2.390 20 10 CECDRO C[C@H]([C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O)N1CCOCC1 ZINC000185376515 368799792 /nfs/dbraw/zinc/79/97/92/368799792.db2.gz YGBFPSJMJKAGQU-RWMBFGLXSA-N 1 0 296.386 2.291 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1cc(F)ccc1O ZINC000185376535 368800004 /nfs/dbraw/zinc/80/00/04/368800004.db2.gz YGBFPSJMJKAGQU-YNEHKIRRSA-N 1 0 296.386 2.291 20 10 CECDRO Cc1noc(CC[NH2+][C@@H](C)c2ccc(C)cc2O)n1 ZINC000185972534 368895956 /nfs/dbraw/zinc/89/59/56/368895956.db2.gz CXRQQQUSXYASSK-JTQLQIEISA-N 1 0 261.325 2.285 20 10 CECDRO CCOCCOCC[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000189237047 369481755 /nfs/dbraw/zinc/48/17/55/369481755.db2.gz TZHIDIRWEXUTJB-UHFFFAOYSA-N 1 0 281.396 2.494 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)ccc1OC ZINC000189328143 369498507 /nfs/dbraw/zinc/49/85/07/369498507.db2.gz NCCGSAJJAKZNGH-HOTGVXAUSA-N 1 0 293.407 2.481 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000189341995 369501201 /nfs/dbraw/zinc/50/12/01/369501201.db2.gz SXURMZXJZGQVJH-WOPDTQHZSA-N 1 0 265.353 2.212 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c(O)c1 ZINC000189346590 369501528 /nfs/dbraw/zinc/50/15/28/369501528.db2.gz YXXVVGSRVMLFET-CABCVRRESA-N 1 0 279.380 2.430 20 10 CECDRO Cc1cccc(CN2CCN(CC(C)C)C(=O)C2)c1O ZINC000190097281 369594935 /nfs/dbraw/zinc/59/49/35/369594935.db2.gz ZMLCVJPYBNYXKS-UHFFFAOYSA-N 1 0 276.380 2.001 20 10 CECDRO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(C)ccc1O ZINC000191673731 369732322 /nfs/dbraw/zinc/73/23/22/369732322.db2.gz WCHMKTPZKPUJMS-IVMMDQJWSA-N 1 0 289.375 2.474 20 10 CECDRO CC(C)Oc1ccc(N(C)C(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638324398 370446785 /nfs/dbraw/zinc/44/67/85/370446785.db2.gz PVLZJEOEGWJADH-CYBMUJFWSA-N 1 0 274.364 2.484 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1OC ZINC000249132453 371298892 /nfs/dbraw/zinc/29/88/92/371298892.db2.gz DGIKIDRBKCJNIE-SCRDCRAPSA-N 1 0 293.363 2.067 20 10 CECDRO COc1cccc(C[N@H+](CCO)C2CCCC2)c1O ZINC000270978244 373045354 /nfs/dbraw/zinc/04/53/54/373045354.db2.gz CAYQSTVDIXBAMQ-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO COc1cc(O)c(C[N@H+](C)CC(C)C)cc1OC ZINC000271121034 373130569 /nfs/dbraw/zinc/13/05/69/373130569.db2.gz XWVQLYSRUHQQOM-UHFFFAOYSA-N 1 0 253.342 2.497 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN([C@H](C)CO)CC1 ZINC000367306775 373147555 /nfs/dbraw/zinc/14/75/55/373147555.db2.gz AMPCXIISNYKRNS-ZBFHGGJFSA-N 1 0 292.423 2.232 20 10 CECDRO OC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1O ZINC000271194163 373174889 /nfs/dbraw/zinc/17/48/89/373174889.db2.gz HICVXOAMHWCAET-HNNXBMFYSA-N 1 0 275.323 2.225 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccccc1O ZINC000367785882 373188141 /nfs/dbraw/zinc/18/81/41/373188141.db2.gz XEPVDVDTWKCWMC-OLZOCXBDSA-N 1 0 286.379 2.055 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccccc1O ZINC000367785883 373188438 /nfs/dbraw/zinc/18/84/38/373188438.db2.gz XEPVDVDTWKCWMC-QWHCGFSZSA-N 1 0 286.379 2.055 20 10 CECDRO COc1cc(O)c(C[NH+]2CCC(C)(OC)CC2)cc1OC ZINC000271630458 373198557 /nfs/dbraw/zinc/19/85/57/373198557.db2.gz OUBFDXMPGYQEKC-UHFFFAOYSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CCCSC2)cc1OC ZINC000271804221 373202817 /nfs/dbraw/zinc/20/28/17/373202817.db2.gz JMPZCQYAYOUKEX-NSHDSACASA-N 1 0 283.393 2.395 20 10 CECDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000271872498 373204770 /nfs/dbraw/zinc/20/47/70/373204770.db2.gz NBDFVFCPWLSLBM-OAHLLOKOSA-N 1 0 283.368 2.050 20 10 CECDRO COC(=O)C1=C(C)O[C@@H](C[N@H+](C)Cc2ccccc2O)C1 ZINC000272563469 373554230 /nfs/dbraw/zinc/55/42/30/373554230.db2.gz PXOOLEUNJZMEFK-CYBMUJFWSA-N 1 0 291.347 2.060 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](COC)OC)cc1 ZINC000272642453 373596291 /nfs/dbraw/zinc/59/62/91/373596291.db2.gz CXSHJFBFPAHGRT-CJNGLKHVSA-N 1 0 280.412 2.455 20 10 CECDRO COCCCCCN(C)c1ccc(OCC(=O)OC)cc1 ZINC000273078791 373746346 /nfs/dbraw/zinc/74/63/46/373746346.db2.gz KUZXKSOJYDECIT-UHFFFAOYSA-N 1 0 295.379 2.491 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)C2CC2)c(O)c1C ZINC000273386967 373753640 /nfs/dbraw/zinc/75/36/40/373753640.db2.gz JSQKHBDSUITMIA-LBPRGKRZSA-N 1 0 276.380 2.186 20 10 CECDRO COCCOCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273391995 373755577 /nfs/dbraw/zinc/75/55/77/373755577.db2.gz LAZDOULSUFWFMK-CYBMUJFWSA-N 1 0 267.369 2.323 20 10 CECDRO COC[C@H](C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273412852 373755818 /nfs/dbraw/zinc/75/58/18/373755818.db2.gz QEOACELHXIYXJF-GHMZBOCLSA-N 1 0 281.352 2.112 20 10 CECDRO CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273424984 373757064 /nfs/dbraw/zinc/75/70/64/373757064.db2.gz TVQFBAYAOHWKTA-VXGBXAGGSA-N 1 0 293.367 2.293 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1 ZINC000273450705 373758226 /nfs/dbraw/zinc/75/82/26/373758226.db2.gz FYTNCGNWXBFCRK-UFBFGSQYSA-N 1 0 293.285 2.365 20 10 CECDRO COC[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000273561422 373765142 /nfs/dbraw/zinc/76/51/42/373765142.db2.gz IHHXLFPNGYJTGG-KOLCDFICSA-N 1 0 273.760 2.094 20 10 CECDRO C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273570618 373765411 /nfs/dbraw/zinc/76/54/11/373765411.db2.gz KNGITJUFLHKYAE-MNOVXSKESA-N 1 0 281.356 2.291 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000273552440 373765548 /nfs/dbraw/zinc/76/55/48/373765548.db2.gz GDFJRVAODNKBNY-IINYFYTJSA-N 1 0 267.369 2.458 20 10 CECDRO COCCN(C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273597420 373766516 /nfs/dbraw/zinc/76/65/16/373766516.db2.gz QZJGNQSJUFTJCV-AWEZNQCLSA-N 1 0 280.412 2.238 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccccc1O ZINC000371684848 373947740 /nfs/dbraw/zinc/94/77/40/373947740.db2.gz HWDKZKIOBPISDL-CMPLNLGQSA-N 1 0 257.337 2.323 20 10 CECDRO Cc1n[nH]c(C2CC[NH+](Cc3cccc(F)c3[O-])CC2)n1 ZINC000371533476 373915237 /nfs/dbraw/zinc/91/52/37/373915237.db2.gz HHYIMLOWRNQFLB-UHFFFAOYSA-N 1 0 290.342 2.337 20 10 CECDRO COC[C@@H](C)[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000371796191 373980921 /nfs/dbraw/zinc/98/09/21/373980921.db2.gz LINIHIHSULBFTC-CYBMUJFWSA-N 1 0 278.396 2.289 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2([S@](C)=O)CC2)c(O)c1 ZINC000282187416 375423147 /nfs/dbraw/zinc/42/31/47/375423147.db2.gz GAUHKKWQJCDNPA-VOJFVSQTSA-N 1 0 267.394 2.262 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1O ZINC000283963445 375788412 /nfs/dbraw/zinc/78/84/12/375788412.db2.gz FBXJAAGVYPNIAF-GXTWGEPZSA-N 1 0 297.420 2.258 20 10 CECDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000285216169 375835614 /nfs/dbraw/zinc/83/56/14/375835614.db2.gz RMQJKMISFOPILS-CQSZACIVSA-N 1 0 276.380 2.273 20 10 CECDRO CC(C)[C@@H]([NH2+]Cc1ccccc1O)c1nncn1C ZINC000285517402 375840302 /nfs/dbraw/zinc/84/03/02/375840302.db2.gz OAAGFPCYIWSBFV-CYBMUJFWSA-N 1 0 260.341 2.008 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1 ZINC000288507094 376378564 /nfs/dbraw/zinc/37/85/64/376378564.db2.gz ILPRUTUVFDXGPK-WMLDXEAASA-N 1 0 285.343 2.285 20 10 CECDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000289203857 376389499 /nfs/dbraw/zinc/38/94/99/376389499.db2.gz BOAWTQJZWVJNOU-CQSZACIVSA-N 1 0 294.370 2.412 20 10 CECDRO C[C@H]([NH2+]CCCc1cnn(C)n1)c1cc(Cl)ccc1O ZINC000293593573 377647550 /nfs/dbraw/zinc/64/75/50/377647550.db2.gz CWGPAYFELUQSLE-JTQLQIEISA-N 1 0 294.786 2.458 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cnccc2OC)c1 ZINC000294024755 377874997 /nfs/dbraw/zinc/87/49/97/377874997.db2.gz VCVAQVPFTBSFBS-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H](C)CCCCO)cc1OC ZINC000294953448 378031456 /nfs/dbraw/zinc/03/14/56/378031456.db2.gz DERIQYMGWFMHOR-LLVKDONJSA-N 1 0 283.368 2.050 20 10 CECDRO CCC[N@H+](CC(=O)NC)Cc1cc(Cl)c(F)cc1[O-] ZINC000295415567 378146881 /nfs/dbraw/zinc/14/68/81/378146881.db2.gz RVPZVZDAORPUDG-UHFFFAOYSA-N 1 0 288.750 2.143 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc(C)cc1O ZINC000296272337 378472466 /nfs/dbraw/zinc/47/24/66/378472466.db2.gz DQQVTQRFWFTUMR-STQMWFEESA-N 1 0 262.353 2.020 20 10 CECDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)C(=O)N1CCCC1 ZINC000529682615 380184346 /nfs/dbraw/zinc/18/43/46/380184346.db2.gz VHMGCUQCOZFVGM-UHFFFAOYSA-N 1 0 294.370 2.270 20 10 CECDRO COCCOC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000093339653 394664771 /nfs/dbraw/zinc/66/47/71/394664771.db2.gz CPKRKMAKNCHBNI-UHFFFAOYSA-N 1 0 279.380 2.328 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1C ZINC000270460569 394734667 /nfs/dbraw/zinc/73/46/67/394734667.db2.gz FNDSYJKUCPTQFV-GFCCVEGCSA-N 1 0 277.286 2.412 20 10 CECDRO C[NH2+]CCCNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000120927471 394787962 /nfs/dbraw/zinc/78/79/62/394787962.db2.gz TZHRGSNFPZGHIW-UHFFFAOYSA-N 1 0 285.391 2.433 20 10 CECDRO CCN(CC)C(=[NH2+])NCc1ccc2c(c1)CCN2C ZINC000364414253 394899527 /nfs/dbraw/zinc/89/95/27/394899527.db2.gz IAYMYLFZNCJECY-UHFFFAOYSA-N 1 0 260.385 2.045 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1O ZINC000364447159 394904064 /nfs/dbraw/zinc/90/40/64/394904064.db2.gz KIRPEVSTEUPTHE-GFCCVEGCSA-N 1 0 267.756 2.311 20 10 CECDRO COCC[C@H](CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000282247675 394914944 /nfs/dbraw/zinc/91/49/44/394914944.db2.gz OKLQFTPDXCROBP-MRXNPFEDSA-N 1 0 292.423 2.164 20 10 CECDRO CC[C@@H](C)[NH+]1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000133821869 394955598 /nfs/dbraw/zinc/95/55/98/394955598.db2.gz HUVPOMRJNBDBQX-CYBMUJFWSA-N 1 0 278.396 2.317 20 10 CECDRO COc1ccc([C@H](O)C[NH2+]Cc2ccccc2O)cc1 ZINC000134226123 394956316 /nfs/dbraw/zinc/95/63/16/394956316.db2.gz PXSFACZTKYFICQ-MRXNPFEDSA-N 1 0 273.332 2.224 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1C ZINC000151120470 394975099 /nfs/dbraw/zinc/97/50/99/394975099.db2.gz VOVXDVVKZDKCGS-IRXDYDNUSA-N 1 0 291.391 2.389 20 10 CECDRO C[N@H+](Cc1ccccc1O)C1CCN(c2ncccn2)CC1 ZINC000374281323 395078921 /nfs/dbraw/zinc/07/89/21/395078921.db2.gz AQXSOLJIUOMSQM-UHFFFAOYSA-N 1 0 298.390 2.283 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](COC(C)C)C2)c1 ZINC000372124877 395035055 /nfs/dbraw/zinc/03/50/55/395035055.db2.gz WGKOYMOBWOSHRL-HNNXBMFYSA-N 1 0 279.380 2.326 20 10 CECDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)cn1 ZINC000376534869 395124161 /nfs/dbraw/zinc/12/41/61/395124161.db2.gz IQPNZIIKLHBNCH-LBPRGKRZSA-N 1 0 289.354 2.329 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293342908 395229876 /nfs/dbraw/zinc/22/98/76/395229876.db2.gz DFLBNWKTGQHRPO-CQSZACIVSA-N 1 0 276.380 2.056 20 10 CECDRO COc1cccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1O ZINC000293051295 395215824 /nfs/dbraw/zinc/21/58/24/395215824.db2.gz ROFZXTVBLPTHPK-NHYWBVRUSA-N 1 0 265.353 2.042 20 10 CECDRO COCCN1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183448878 395256609 /nfs/dbraw/zinc/25/66/09/395256609.db2.gz VBKKIGXBIHAZTI-CYBMUJFWSA-N 1 0 278.396 2.154 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000183523597 395259071 /nfs/dbraw/zinc/25/90/71/395259071.db2.gz UPOCURAGKFBPOV-OUJBWJOFSA-N 1 0 255.383 2.155 20 10 CECDRO CC(C)(C)OC(=O)NCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297877899 395349853 /nfs/dbraw/zinc/34/98/53/395349853.db2.gz UXLOFONYQVQFSF-LBPRGKRZSA-N 1 0 292.379 2.494 20 10 CECDRO C[C@@H]([NH2+]CCCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000194223408 395428640 /nfs/dbraw/zinc/42/86/40/395428640.db2.gz SYPMOSNFLUTOMB-CYBMUJFWSA-N 1 0 296.386 2.085 20 10 CECDRO COCC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCOCC1 ZINC000297453365 292250204 /nfs/dbraw/zinc/25/02/04/292250204.db2.gz XGGIRYLYINILBW-AWEZNQCLSA-N 1 0 291.391 2.412 20 10 CECDRO Cn1cccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000153303449 261076571 /nfs/dbraw/zinc/07/65/71/261076571.db2.gz SUMPRZMORHJSAB-UHFFFAOYSA-N 1 0 299.418 2.494 20 10 CECDRO C[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000154699169 261094178 /nfs/dbraw/zinc/09/41/78/261094178.db2.gz WGNIKLUYFOZAGH-CQSZACIVSA-N 1 0 289.423 2.195 20 10 CECDRO CC[C@H]([NH2+][C@H](C)Cn1cncn1)c1ccccc1O ZINC000155435062 261102081 /nfs/dbraw/zinc/10/20/81/261102081.db2.gz FDHDLQSIZWWIDL-YPMHNXCESA-N 1 0 260.341 2.113 20 10 CECDRO CCOC(C)(C)C[NH2+]Cc1cccc(OC)c1O ZINC000159157376 261179139 /nfs/dbraw/zinc/17/91/39/261179139.db2.gz BUFDLJMTRWMQFY-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO CCCN(CC(=O)OCC)Cc1ccccc1O ZINC000160160714 261206621 /nfs/dbraw/zinc/20/66/21/261206621.db2.gz DKCMAVONTCUPOP-UHFFFAOYSA-N 1 0 251.326 2.167 20 10 CECDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000160382600 261212535 /nfs/dbraw/zinc/21/25/35/261212535.db2.gz RUUITOTZUWMONO-WFASDCNBSA-N 1 0 299.422 2.318 20 10 CECDRO CCN(CC[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000101931705 261252961 /nfs/dbraw/zinc/25/29/61/261252961.db2.gz CUONXEFXXFUYDT-UHFFFAOYSA-N 1 0 260.381 2.195 20 10 CECDRO CN(C)c1ccc(CNC(=O)CCCCCC[NH3+])cc1F ZINC000166457141 261389413 /nfs/dbraw/zinc/38/94/13/261389413.db2.gz HVYIRCWLPCYHMD-UHFFFAOYSA-N 1 0 295.402 2.417 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c(O)c1 ZINC000185505274 262057901 /nfs/dbraw/zinc/05/79/01/262057901.db2.gz CFFYKTKPCBHKPE-HUUCEWRRSA-N 1 0 292.423 2.320 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185510828 262058106 /nfs/dbraw/zinc/05/81/06/262058106.db2.gz ASDMJINHUITFHY-COPLHBTASA-N 1 0 269.410 2.464 20 10 CECDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1=O ZINC000186048788 262077043 /nfs/dbraw/zinc/07/70/43/262077043.db2.gz DXLLWGGYJQNATR-GWCFXTLKSA-N 1 0 280.343 2.191 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000186088366 262078977 /nfs/dbraw/zinc/07/89/77/262078977.db2.gz DJRSHICQWRIMAP-NEPJUHHUSA-N 1 0 274.364 2.115 20 10 CECDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000186109417 262079918 /nfs/dbraw/zinc/07/99/18/262079918.db2.gz LVNIOANKYQMDTD-STQMWFEESA-N 1 0 291.395 2.155 20 10 CECDRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1cc(Cl)ccc1O ZINC000186505072 262095597 /nfs/dbraw/zinc/09/55/97/262095597.db2.gz XXUTUSRTLOCXRN-VIFPVBQESA-N 1 0 282.771 2.222 20 10 CECDRO C[C@H]([NH2+]CCCOCCO)c1cc2c(cc1O)CCCC2 ZINC000186514349 262096119 /nfs/dbraw/zinc/09/61/19/262096119.db2.gz XQNKZLGJGJBFDG-ZDUSSCGKSA-N 1 0 293.407 2.321 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCN2C)c1 ZINC000185141906 262302920 /nfs/dbraw/zinc/30/29/20/262302920.db2.gz TWXDGJBHYKEHIE-VXGBXAGGSA-N 1 0 264.369 2.146 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H](CO)SC)c1 ZINC000185511150 262305819 /nfs/dbraw/zinc/30/58/19/262305819.db2.gz RMNQWWXXRQMGQT-IMSIIYSGSA-N 1 0 285.409 2.164 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](C)CN(C)C)ccc1OC ZINC000290210678 263115419 /nfs/dbraw/zinc/11/54/19/263115419.db2.gz VVSSEERHDNVKPJ-ZDUSSCGKSA-N 1 0 280.412 2.271 20 10 CECDRO Cc1cc(C[NH2+][C@H]2CCc3cccc(O)c32)n(C)n1 ZINC000296581203 263193265 /nfs/dbraw/zinc/19/32/65/263193265.db2.gz WBCJTPPBICXDGC-ZDUSSCGKSA-N 1 0 257.337 2.211 20 10 CECDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000188494583 264012625 /nfs/dbraw/zinc/01/26/25/264012625.db2.gz VNCAPQCYUJVBIB-NXEZZACHSA-N 1 0 268.332 2.049 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)OCCO)c(O)c1 ZINC000294114731 265007285 /nfs/dbraw/zinc/00/72/85/265007285.db2.gz KGTVHSHGIAJMOB-CYBMUJFWSA-N 1 0 281.396 2.447 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)c1O ZINC000369212018 267225973 /nfs/dbraw/zinc/22/59/73/267225973.db2.gz CDTUPTQQZSRRRC-QWHCGFSZSA-N 1 0 263.337 2.012 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@]2(CCOC2)O1 ZINC000376635525 268004250 /nfs/dbraw/zinc/00/42/50/268004250.db2.gz WYFYEAXGEKGHOA-HOCLYGCPSA-N 1 0 295.354 2.301 20 10 CECDRO CC(C)(O)C[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000189946724 277314421 /nfs/dbraw/zinc/31/44/21/277314421.db2.gz NMDKNLKJXOYFFK-UHFFFAOYSA-N 1 0 253.317 2.267 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccccc1O ZINC000367203196 290000416 /nfs/dbraw/zinc/00/04/16/290000416.db2.gz CHZYEBDIWKFSHM-YUTCNCBUSA-N 1 0 274.364 2.196 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)c(O)c1C ZINC000527959835 313220620 /nfs/dbraw/zinc/22/06/20/313220620.db2.gz ZIILHJPCHHQMQN-NWANDNLSSA-N 1 0 279.380 2.200 20 10 CECDRO CCOc1cccc(C[NH2+]C2(COC)CCC2)c1O ZINC000283827702 328132813 /nfs/dbraw/zinc/13/28/13/328132813.db2.gz DUMALINXHFXFJA-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000090181697 327177448 /nfs/dbraw/zinc/17/74/48/327177448.db2.gz COCMTYZNVRRTET-OCCSQVGLSA-N 1 0 287.407 2.167 20 10 CECDRO Oc1cccc(Cl)c1CN1CC[NH+]2CCC1CC2 ZINC000377632171 329022202 /nfs/dbraw/zinc/02/22/02/329022202.db2.gz VJNCFIPAQUCVOV-UHFFFAOYSA-N 1 0 266.772 2.326 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2O)CC1(C)C ZINC000378443965 329050363 /nfs/dbraw/zinc/05/03/63/329050363.db2.gz ODVKICAPLIGYFP-CYBMUJFWSA-N 1 0 277.364 2.332 20 10 CECDRO OC[C@]1([NH2+]Cc2cc(F)ccc2O)CCc2ccccc21 ZINC000378489874 329052698 /nfs/dbraw/zinc/05/26/98/329052698.db2.gz CRHDMQJXFBNBFX-QGZVFWFLSA-N 1 0 287.334 2.455 20 10 CECDRO COCCC1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226615872 329262338 /nfs/dbraw/zinc/26/23/38/329262338.db2.gz DKGQHJPVISUKKH-UHFFFAOYSA-N 1 0 253.317 2.438 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(F)cc1[O-] ZINC000186115035 329338248 /nfs/dbraw/zinc/33/82/48/329338248.db2.gz KHFJJLONKLMDMN-BXKDBHETSA-N 1 0 275.327 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NVAGTUBFNUOXCP-KRWDZBQOSA-N 1 0 292.423 2.164 20 10 CECDRO CCOC(=O)N1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296307949 520968784 /nfs/dbraw/zinc/96/87/84/520968784.db2.gz DXIZCHZQJLHJFG-STQMWFEESA-N 1 0 290.363 2.200 20 10 CECDRO CCOc1ccc(O)c(CN2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000289577973 521142743 /nfs/dbraw/zinc/14/27/43/521142743.db2.gz JVQBDGBTSMGZLS-ZDUSSCGKSA-N 1 0 278.396 2.317 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1 ZINC000289783523 521143687 /nfs/dbraw/zinc/14/36/87/521143687.db2.gz RUQXRNWNZPZFJD-UKRRQHHQSA-N 1 0 265.353 2.136 20 10 CECDRO CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1O ZINC000126642096 521345382 /nfs/dbraw/zinc/34/53/82/521345382.db2.gz QRFUTLMFIQRRRM-PBWFPOADSA-N 1 0 277.364 2.279 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1O ZINC000275862318 521346564 /nfs/dbraw/zinc/34/65/64/521346564.db2.gz JELGDTUHUAQCFB-AWEZNQCLSA-N 1 0 279.380 2.384 20 10 CECDRO CCOc1cccc(C[NH2+]CCC[C@H](C)O)c1O ZINC000227959772 521361489 /nfs/dbraw/zinc/36/14/89/521361489.db2.gz QIGGKAFDIYPRIF-NSHDSACASA-N 1 0 253.342 2.042 20 10 CECDRO CCOC1CC(O)(C[NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000278753150 521653239 /nfs/dbraw/zinc/65/32/39/521653239.db2.gz SFPADQAKCGVOEB-UHFFFAOYSA-N 1 0 299.798 2.374 20 10 CECDRO CCNC(=O)[C@@H]([NH2+]Cc1cc(OCC)ccc1O)C(C)C ZINC000292890002 521744514 /nfs/dbraw/zinc/74/45/14/521744514.db2.gz FTFJFINUYLKQLM-HNNXBMFYSA-N 1 0 294.395 2.041 20 10 CECDRO COc1c(O)c(C[N@@H+]2CCS[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278323485 521870616 /nfs/dbraw/zinc/87/06/16/521870616.db2.gz YJJVKXZYHHHKAB-SECBINFHSA-N 1 0 298.364 2.246 20 10 CECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCC[NH+](C)C)c1 ZINC000273464232 522136194 /nfs/dbraw/zinc/13/61/94/522136194.db2.gz DIOUWAVHYZSHOJ-GFCCVEGCSA-N 1 0 294.395 2.171 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000275988886 522174340 /nfs/dbraw/zinc/17/43/40/522174340.db2.gz MQJMFVSRONRKGL-WKILWMFISA-N 1 0 262.397 2.488 20 10 CECDRO CC[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccccc1O ZINC000274879188 522626078 /nfs/dbraw/zinc/62/60/78/522626078.db2.gz HFQFIHIGFJERBE-HOCLYGCPSA-N 1 0 279.380 2.220 20 10 CECDRO COC1(C[NH2+]Cc2ccc(N(C)C)cc2)CCOCC1 ZINC000123140699 522631136 /nfs/dbraw/zinc/63/11/36/522631136.db2.gz RKWYKPFPZSXBNL-UHFFFAOYSA-N 1 0 278.396 2.038 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@H]1CCCO1 ZINC000278616626 522750926 /nfs/dbraw/zinc/75/09/26/522750926.db2.gz JHFJRBJULNNSFE-GOEBONIOSA-N 1 0 279.380 2.287 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H](CO)C2CCCC2)cc1OC ZINC000291010241 522782429 /nfs/dbraw/zinc/78/24/29/522782429.db2.gz WTQOFIFUVFWOEL-ZDUSSCGKSA-N 1 0 295.379 2.050 20 10 CECDRO CC[C@@H]([NH2+]CCOCCOC)c1ccccc1O ZINC000044693699 522837749 /nfs/dbraw/zinc/83/77/49/522837749.db2.gz JPRCUQASKYBTOB-CYBMUJFWSA-N 1 0 253.342 2.096 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc(C)cc1O ZINC000280263805 522912375 /nfs/dbraw/zinc/91/23/75/522912375.db2.gz XJJHEXLGXUUGKH-GXTWGEPZSA-N 1 0 274.368 2.422 20 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WBEBTJVJICXZDN-QGZVFWFLSA-N 1 0 291.391 2.471 20 10 CECDRO COc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000128741716 524745503 /nfs/dbraw/zinc/74/55/03/524745503.db2.gz JGUFZJYISLBBAB-PHIMTYICSA-N 1 0 251.326 2.010 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2nccs2)c1 ZINC000041012396 524751666 /nfs/dbraw/zinc/75/16/66/524751666.db2.gz DVKHVYJDQSXPNO-UHFFFAOYSA-N 1 0 250.323 2.147 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2nccs2)c1 ZINC000063133602 524753236 /nfs/dbraw/zinc/75/32/36/524753236.db2.gz BUEMSASPKUEOOF-UHFFFAOYSA-N 1 0 264.350 2.190 20 10 CECDRO COc1ccc(O)c([C@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000364988980 524768097 /nfs/dbraw/zinc/76/80/97/524768097.db2.gz YQOVIVQVSIUCFN-WCFLWFBJSA-N 1 0 263.337 2.325 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000071407908 525344806 /nfs/dbraw/zinc/34/48/06/525344806.db2.gz GLBHOFRGTRJLLY-UHFFFAOYSA-N 1 0 260.381 2.417 20 10 CECDRO C[C@@H]([NH2+]CCc1cnn(C)c1)c1cc(F)ccc1O ZINC000128081497 525467089 /nfs/dbraw/zinc/46/70/89/525467089.db2.gz CDSVPEQGEFRAIB-SNVBAGLBSA-N 1 0 263.316 2.158 20 10 CECDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000037282686 525605993 /nfs/dbraw/zinc/60/59/93/525605993.db2.gz VPZRJARNOYWIMO-WFASDCNBSA-N 1 0 275.396 2.072 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cc(F)ccc1O ZINC000228855085 525635985 /nfs/dbraw/zinc/63/59/85/525635985.db2.gz IXGFHPQNMLKXCR-AQUOVQTQSA-N 1 0 253.317 2.341 20 10 CECDRO COc1cccc(C[NH2+]Cc2nc(C)ccc2O)c1O ZINC000265089061 526026644 /nfs/dbraw/zinc/02/66/44/526026644.db2.gz MFUGROVVGOYBTA-UHFFFAOYSA-N 1 0 274.320 2.100 20 10 CECDRO Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccccc2O)cn1 ZINC000275687147 527324754 /nfs/dbraw/zinc/32/47/54/527324754.db2.gz WTQGADHQCZCLTE-GOEBONIOSA-N 1 0 287.363 2.136 20 10 CECDRO OCC[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000128114449 527550093 /nfs/dbraw/zinc/55/00/93/527550093.db2.gz DSTZQAIVHRKAEG-UHFFFAOYSA-N 1 0 286.169 2.111 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CCCO1 ZINC000738159206 574492495 /nfs/dbraw/zinc/49/24/95/574492495.db2.gz ATDJTKMKFXRDJZ-LBPRGKRZSA-N 1 0 261.365 2.492 20 10 CECDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1=CC(=O)CS1 ZINC000732258616 574616175 /nfs/dbraw/zinc/61/61/75/574616175.db2.gz WPTLFHYMERLBPH-NSHDSACASA-N 1 0 282.409 2.448 20 10 CECDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000742723362 575031420 /nfs/dbraw/zinc/03/14/20/575031420.db2.gz JVFPKNUPDJIPLB-GFCCVEGCSA-N 1 0 269.348 2.132 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C)nc2C)c1 ZINC000125532200 649936393 /nfs/dbraw/zinc/93/63/93/649936393.db2.gz RQCUOKAARUADGO-NSHDSACASA-N 1 0 275.352 2.294 20 10 CECDRO COc1ccc(C[NH2+]CCCOC(C)C)c(O)c1OC ZINC000892439334 625436307 /nfs/dbraw/zinc/43/63/07/625436307.db2.gz FLDGVXCXUFKHSM-UHFFFAOYSA-N 1 0 283.368 2.314 20 10 CECDRO C[N@H+](CC(=O)NCc1cccc(Cl)c1O)C1CCC1 ZINC000890761765 622933550 /nfs/dbraw/zinc/93/35/50/622933550.db2.gz WZQNKQRLSRZXBN-UHFFFAOYSA-N 1 0 282.771 2.146 20 10 CECDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000091985888 625615747 /nfs/dbraw/zinc/61/57/47/625615747.db2.gz FEJAGXHXBUPGKP-SECBINFHSA-N 1 0 271.744 2.287 20 10 CECDRO NC(=O)c1cccc(C[NH2+]Cc2c(O)cccc2Cl)c1 ZINC000083551669 623224965 /nfs/dbraw/zinc/22/49/65/623224965.db2.gz YPWIBLIAIMYXMP-UHFFFAOYSA-N 1 0 290.750 2.434 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C(C)(C)CN(C)C)c1O ZINC000308612751 623903798 /nfs/dbraw/zinc/90/37/98/623903798.db2.gz HKFXDFYATLBSSR-UHFFFAOYSA-N 1 0 286.803 2.484 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2O)C[C@@H](C)O1 ZINC000891806055 623983925 /nfs/dbraw/zinc/98/39/25/623983925.db2.gz VSTXHFZACINORZ-DGCLKSJQSA-N 1 0 295.379 2.409 20 10 CECDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)c(O)c1OC ZINC000891948497 624133143 /nfs/dbraw/zinc/13/31/43/624133143.db2.gz JSZNQNUFKYQVIN-LBPRGKRZSA-N 1 0 295.379 2.268 20 10 CECDRO CCC(C)(C)OCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000308762896 624193075 /nfs/dbraw/zinc/19/30/75/624193075.db2.gz YXDNKCCHFVYXKR-UHFFFAOYSA-N 1 0 281.352 2.416 20 10 CECDRO C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1O ZINC000892090618 624310399 /nfs/dbraw/zinc/31/03/99/624310399.db2.gz WZAODFGDGQJJJL-QJPTWQEYSA-N 1 0 277.368 2.022 20 10 CECDRO C[C@@H](NC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1O ZINC000892090624 624310614 /nfs/dbraw/zinc/31/06/14/624310614.db2.gz WZAODFGDGQJJJL-WOPDTQHZSA-N 1 0 277.368 2.022 20 10 CECDRO CN(C(=O)C[N@H+](C)CC(C)(C)C)c1ccc(N)cc1 ZINC000045065118 624484604 /nfs/dbraw/zinc/48/46/04/624484604.db2.gz YYVUILGRHSLBKS-UHFFFAOYSA-N 1 0 263.385 2.210 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCCS2)c1O ZINC000122033368 624743934 /nfs/dbraw/zinc/74/39/34/624743934.db2.gz BPUZIQKLNWVPAB-LLVKDONJSA-N 1 0 253.367 2.386 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C)c(O)c1OC ZINC000892569721 627278623 /nfs/dbraw/zinc/27/86/23/627278623.db2.gz BBUJYDQRQPRKIO-KOLCDFICSA-N 1 0 251.326 2.155 20 10 CECDRO CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001019909613 627922348 /nfs/dbraw/zinc/92/23/48/627922348.db2.gz RCIGWHRERIOGGH-HDJSIYSDSA-N 1 0 276.380 2.150 20 10 CECDRO CCC[C@H]1C[N@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000180318795 628077867 /nfs/dbraw/zinc/07/78/67/628077867.db2.gz DOYDBFMORKZNPE-AWEZNQCLSA-N 1 0 265.353 2.402 20 10 CECDRO COCCOC[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180525650 628084237 /nfs/dbraw/zinc/08/42/37/628084237.db2.gz DMMZVWQUJSGLSF-AWEZNQCLSA-N 1 0 279.380 2.186 20 10 CECDRO C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccccc1O ZINC000183525336 628185620 /nfs/dbraw/zinc/18/56/20/628185620.db2.gz YSWSEWDWNTZPGL-KGLIPLIRSA-N 1 0 279.380 2.486 20 10 CECDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185530651 628233320 /nfs/dbraw/zinc/23/33/20/628233320.db2.gz SANWJUCVFRHXRJ-RYUDHWBXSA-N 1 0 269.410 2.465 20 10 CECDRO C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000053201291 628250679 /nfs/dbraw/zinc/25/06/79/628250679.db2.gz JQYDFMVFBNCICX-LBPRGKRZSA-N 1 0 254.761 2.229 20 10 CECDRO C[C@H]([NH2+]CCCON)c1cc2c(cc1O)CCCC2 ZINC000902424815 634647050 /nfs/dbraw/zinc/64/70/50/634647050.db2.gz LVMCVLBDEMBRKM-NSHDSACASA-N 1 0 264.369 2.202 20 10 CECDRO C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(N(C)C)cc1 ZINC000841654886 628385435 /nfs/dbraw/zinc/38/54/35/628385435.db2.gz QGAGAVDROPESMZ-CYBMUJFWSA-N 1 0 292.427 2.069 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)CC[C@H](C)[NH3+])cc1F ZINC000193311709 628472673 /nfs/dbraw/zinc/47/26/73/628472673.db2.gz VMQDMGAVNRVKBK-LBPRGKRZSA-N 1 0 295.402 2.416 20 10 CECDRO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1O ZINC000902475962 634667476 /nfs/dbraw/zinc/66/74/76/634667476.db2.gz KNXOWKRSVVRPNC-HMHPOGMRSA-N 1 0 250.317 2.075 20 10 CECDRO C[NH2+]CCc1ccccc1C(=O)N(C)Cc1ccccc1O ZINC000317474209 628834302 /nfs/dbraw/zinc/83/43/02/628834302.db2.gz CTSRRQULWJIEBR-UHFFFAOYSA-N 1 0 298.386 2.426 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN(C)C(C)C)c1 ZINC000054110846 628879666 /nfs/dbraw/zinc/87/96/66/628879666.db2.gz YEQXFBIRTUIEAW-GFCCVEGCSA-N 1 0 266.385 2.392 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c1 ZINC000840979499 628988041 /nfs/dbraw/zinc/98/80/41/628988041.db2.gz SNBNACUPFKTNBY-TZMCWYRMSA-N 1 0 279.380 2.432 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](CO)C2)c1 ZINC000840979496 628988275 /nfs/dbraw/zinc/98/82/75/628988275.db2.gz SNBNACUPFKTNBY-GXTWGEPZSA-N 1 0 279.380 2.432 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c(O)c1OC ZINC000893884131 629029764 /nfs/dbraw/zinc/02/97/64/629029764.db2.gz AQZQVPPYJCJIRU-CYBMUJFWSA-N 1 0 295.379 2.002 20 10 CECDRO COc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c(O)c1OC ZINC000893889128 629038387 /nfs/dbraw/zinc/03/83/87/629038387.db2.gz VBCPVHMIEOHHJK-SDDRHHMPSA-N 1 0 295.379 2.407 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCOCC23CCC3)c1O ZINC000894036562 629092342 /nfs/dbraw/zinc/09/23/42/629092342.db2.gz ZMDIRCVTQLGHES-UHFFFAOYSA-N 1 0 277.364 2.464 20 10 CECDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC000894086801 629112907 /nfs/dbraw/zinc/11/29/07/629112907.db2.gz NEDSZQPFUDINPZ-LLVKDONJSA-N 1 0 284.350 2.444 20 10 CECDRO CC[C@@H]([NH2+]CCOCCOC)c1ccc(N(C)C)cc1 ZINC000178632511 629122755 /nfs/dbraw/zinc/12/27/55/629122755.db2.gz CSEPVURLRWEBOY-MRXNPFEDSA-N 1 0 280.412 2.456 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCc2ccccn2)c1O ZINC000894145048 629168691 /nfs/dbraw/zinc/16/86/91/629168691.db2.gz DXIZZRWKZJJADW-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000877527772 629179190 /nfs/dbraw/zinc/17/91/90/629179190.db2.gz VNUUJMOVQPJBPR-NSHDSACASA-N 1 0 263.259 2.104 20 10 CECDRO COCCC1([NH2+]Cc2ccc(OC)c(OC)c2O)CCC1 ZINC000894169456 629183647 /nfs/dbraw/zinc/18/36/47/629183647.db2.gz JJSYYSBTRXKEEV-UHFFFAOYSA-N 1 0 295.379 2.458 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccc(OC)cc2O)nc1 ZINC000894185239 629197450 /nfs/dbraw/zinc/19/74/50/629197450.db2.gz KMZZQHANQVUEJU-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H](OC)C(C)C)c1O ZINC000894309448 629335678 /nfs/dbraw/zinc/33/56/78/629335678.db2.gz YMVUREOZMXERJS-AWEZNQCLSA-N 1 0 267.369 2.470 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1O ZINC000894313000 629343573 /nfs/dbraw/zinc/34/35/73/629343573.db2.gz QCUGOQAKEVVCED-GXTWGEPZSA-N 1 0 278.396 2.282 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CC[C@H](O)CC2)c1O ZINC000894358793 629390324 /nfs/dbraw/zinc/39/03/24/629390324.db2.gz JMXLNYYHDVMISG-JOCQHMNTSA-N 1 0 265.353 2.102 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CSC[C@H]2C)c(O)c1OC ZINC000894411923 629444300 /nfs/dbraw/zinc/44/43/00/629444300.db2.gz BTTSEUYOFIBFJL-KOLCDFICSA-N 1 0 283.393 2.251 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1O ZINC000894423537 629452584 /nfs/dbraw/zinc/45/25/84/629452584.db2.gz TWGDOJXZDNZBFF-OLZOCXBDSA-N 1 0 279.380 2.302 20 10 CECDRO CC[C@]1(O)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000894502961 629498994 /nfs/dbraw/zinc/49/89/94/629498994.db2.gz DHEHMKWQEADENY-HNNXBMFYSA-N 1 0 265.353 2.056 20 10 CECDRO CC[C@]1([NH2+]Cc2cc(C)cc(OC)c2O)CCOC1 ZINC000894551448 629530153 /nfs/dbraw/zinc/53/01/53/629530153.db2.gz WRUIUIBZQRSDOA-HNNXBMFYSA-N 1 0 265.353 2.368 20 10 CECDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2C)c(O)c1OC ZINC000894627533 629561837 /nfs/dbraw/zinc/56/18/37/629561837.db2.gz IXBKSJXYWAJFLY-NXEZZACHSA-N 1 0 251.326 2.250 20 10 CECDRO CC[C@]1([NH2+]Cc2cc(OC)c(OC)cc2O)CCOC1 ZINC000792193242 629608556 /nfs/dbraw/zinc/60/85/56/629608556.db2.gz SNFSWFJRRMNIOW-HNNXBMFYSA-N 1 0 281.352 2.068 20 10 CECDRO CCOc1cccc(C[NH2+]CCO[C@@H]2CCCCO2)c1O ZINC000894801148 629647344 /nfs/dbraw/zinc/64/73/44/629647344.db2.gz WBCULWFDMQXHIT-OAHLLOKOSA-N 1 0 295.379 2.424 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CO)CC2)c1O ZINC000894866034 629703318 /nfs/dbraw/zinc/70/33/18/629703318.db2.gz FDPPAKLHFHGLBN-ZDUSSCGKSA-N 1 0 279.380 2.304 20 10 CECDRO Cc1nnc([C@H]2CC[N@H+](Cc3c(C)cccc3O)C2)[nH]1 ZINC000895011327 629794802 /nfs/dbraw/zinc/79/48/02/629794802.db2.gz DDXIYRWJDVRGCQ-LBPRGKRZSA-N 1 0 272.352 2.117 20 10 CECDRO OC[C@@H](CC1CCC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000793321855 629860914 /nfs/dbraw/zinc/86/09/14/629860914.db2.gz LAZYPBZAUFXKHW-OAHLLOKOSA-N 1 0 261.365 2.262 20 10 CECDRO COC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160193683 629876452 /nfs/dbraw/zinc/87/64/52/629876452.db2.gz WJYXQFIDCUJCPB-LBPRGKRZSA-N 1 0 295.379 2.268 20 10 CECDRO COc1cccc(C[NH2+][C@H](c2nccn2C)C2CC2)c1O ZINC000796465617 629913039 /nfs/dbraw/zinc/91/30/39/629913039.db2.gz LXTLLXZXLCOOAH-AWEZNQCLSA-N 1 0 287.363 2.375 20 10 CECDRO C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1O ZINC000797069549 630123726 /nfs/dbraw/zinc/12/37/26/630123726.db2.gz GDJFSHNIVSOAGX-GHMZBOCLSA-N 1 0 283.393 2.009 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1O ZINC000797071304 630124650 /nfs/dbraw/zinc/12/46/50/630124650.db2.gz RFDUDFZXJYRDEU-WCQYABFASA-N 1 0 297.420 2.399 20 10 CECDRO COc1ccc(C[N@H+](C)CC2=CCCOC2)c(O)c1OC ZINC000895371714 630145627 /nfs/dbraw/zinc/14/56/27/630145627.db2.gz SYPVHHRQQCGUBH-UHFFFAOYSA-N 1 0 293.363 2.188 20 10 CECDRO Cc1cc(Cl)cc(CN[C@@H](CC[NH3+])C(F)F)c1O ZINC000841074060 634784915 /nfs/dbraw/zinc/78/49/15/634784915.db2.gz LKOAIIJKJYHQNT-JTQLQIEISA-N 1 0 278.730 2.426 20 10 CECDRO Cc1cc(Br)cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1O ZINC000895654536 630290286 /nfs/dbraw/zinc/29/02/86/630290286.db2.gz SIULTKMKBOGMPL-ZWNOBZJWSA-N 1 0 298.180 2.030 20 10 CECDRO COc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c(O)c1OC ZINC000895728230 630318170 /nfs/dbraw/zinc/31/81/70/630318170.db2.gz TWEFIQKXWIMGMI-CHWSQXEVSA-N 1 0 295.379 2.145 20 10 CECDRO COC(=O)C1CC([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000895830679 630369244 /nfs/dbraw/zinc/36/92/44/630369244.db2.gz GBSSVPSOYYNBHD-UHFFFAOYSA-N 1 0 275.348 2.053 20 10 CECDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC000896448387 630563177 /nfs/dbraw/zinc/56/31/77/630563177.db2.gz INGMBYBQRJHGAG-VNHYZAJKSA-N 1 0 275.348 2.023 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H](C)CC(C)(C)O ZINC000824695677 635478655 /nfs/dbraw/zinc/47/86/55/635478655.db2.gz BCIMPDQOKYHTJJ-JTQLQIEISA-N 1 0 253.342 2.040 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1C ZINC000824726263 635485529 /nfs/dbraw/zinc/48/55/29/635485529.db2.gz JYUQKDHPTJKLLL-AWEZNQCLSA-N 1 0 271.307 2.211 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CO)CCOC)c1cc(Cl)ccc1O ZINC000798941195 630955433 /nfs/dbraw/zinc/95/54/33/630955433.db2.gz WNIJPNBLCDFFNU-DGCLKSJQSA-N 1 0 287.787 2.484 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC000985839865 631187869 /nfs/dbraw/zinc/18/78/69/631187869.db2.gz UZRQXQKYSIEXPQ-DZGCQCFKSA-N 1 0 290.407 2.493 20 10 CECDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)Cc1ccccc1O ZINC000897478084 631550555 /nfs/dbraw/zinc/55/05/55/631550555.db2.gz KEBCOLNEAIZCQS-CYBMUJFWSA-N 1 0 291.395 2.018 20 10 CECDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000806644967 631762296 /nfs/dbraw/zinc/76/22/96/631762296.db2.gz OLPIFRCBAWTTQS-AWEZNQCLSA-N 1 0 291.395 2.066 20 10 CECDRO CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000806662245 631763142 /nfs/dbraw/zinc/76/31/42/631763142.db2.gz AYVSNIBVADTKFL-YPMHNXCESA-N 1 0 296.436 2.219 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000897563544 631784562 /nfs/dbraw/zinc/78/45/62/631784562.db2.gz WSDNLHJATNDEPY-MRXNPFEDSA-N 1 0 287.363 2.008 20 10 CECDRO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@H](C)N1C ZINC000840088567 631827918 /nfs/dbraw/zinc/82/79/18/631827918.db2.gz ODRGZARPIDUOQV-BETUJISGSA-N 1 0 274.408 2.405 20 10 CECDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000808421660 631960631 /nfs/dbraw/zinc/96/06/31/631960631.db2.gz OZQDQJVVPDMADY-CYBMUJFWSA-N 1 0 268.376 2.246 20 10 CECDRO COC[C@@H](CC(C)C)[NH2+]CCc1ccc(N)cc1 ZINC000841036543 631978283 /nfs/dbraw/zinc/97/82/83/631978283.db2.gz UUXDOHYOVJFHII-OAHLLOKOSA-N 1 0 250.386 2.462 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOCCO)c1O ZINC000808672130 631998487 /nfs/dbraw/zinc/99/84/87/631998487.db2.gz DNXNADWOGXKZTK-SNVBAGLBSA-N 1 0 273.760 2.014 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCOCCO)c1O ZINC000808714087 632004555 /nfs/dbraw/zinc/00/45/55/632004555.db2.gz SGCRWDSSIXZERA-LLVKDONJSA-N 1 0 287.787 2.404 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)cc1Cl ZINC000825732070 635703375 /nfs/dbraw/zinc/70/33/75/635703375.db2.gz OCQAPBRWFBNEIN-OAHLLOKOSA-N 1 0 294.782 2.066 20 10 CECDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000840179322 632094013 /nfs/dbraw/zinc/09/40/13/632094013.db2.gz ALEDMKATFAEJNE-IINYFYTJSA-N 1 0 277.364 2.438 20 10 CECDRO CCOc1cccc(C[N@H+](C)[C@H](CO)COC(C)C)c1O ZINC000809768832 632143168 /nfs/dbraw/zinc/14/31/68/632143168.db2.gz YAGNXELHBAGOTP-CQSZACIVSA-N 1 0 297.395 2.009 20 10 CECDRO CCOCc1cc(CN[C@@H]2CCC[NH2+]C2)ccc1OC ZINC000841043457 632339149 /nfs/dbraw/zinc/33/91/49/632339149.db2.gz RNCUQCOHKVHDQR-OAHLLOKOSA-N 1 0 278.396 2.073 20 10 CECDRO CCO[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)CN(C)C ZINC000926962647 632390093 /nfs/dbraw/zinc/39/00/93/632390093.db2.gz RKLABNPWMXQYBD-UONOGXRCSA-N 1 0 280.412 2.318 20 10 CECDRO CCO[C@H](C[NH2+][C@H](C)c1cccc(OC)c1O)CN(C)C ZINC000926964304 632392240 /nfs/dbraw/zinc/39/22/40/632392240.db2.gz WYDQZNBCEIOSEU-CHWSQXEVSA-N 1 0 296.411 2.018 20 10 CECDRO CC[N@H+](Cc1cc(C)cc(OC)c1O)[C@H]1CCOC1 ZINC000812297173 632503970 /nfs/dbraw/zinc/50/39/70/632503970.db2.gz YASPQPGLHMQPKW-ZDUSSCGKSA-N 1 0 265.353 2.320 20 10 CECDRO CC[N@H+](Cc1cc(OC)c(C)cc1O)[C@@H]1CCOC1 ZINC000812298773 632504015 /nfs/dbraw/zinc/50/40/15/632504015.db2.gz SFVIRIJTIGNSQE-CYBMUJFWSA-N 1 0 265.353 2.320 20 10 CECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000898481490 632508806 /nfs/dbraw/zinc/50/88/06/632508806.db2.gz LQWVYVRDOPJKSK-NEPJUHHUSA-N 1 0 293.363 2.222 20 10 CECDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000899133805 632710435 /nfs/dbraw/zinc/71/04/35/632710435.db2.gz QHPYCDUHMBXEGZ-ZDUSSCGKSA-N 1 0 276.380 2.190 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899267131 632765902 /nfs/dbraw/zinc/76/59/02/632765902.db2.gz JFYHJNIHSFBKPI-GFCCVEGCSA-N 1 0 274.412 2.473 20 10 CECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cc[nH]c(=O)c1 ZINC000815148478 632972758 /nfs/dbraw/zinc/97/27/58/632972758.db2.gz XDKCYSTYUNOGKJ-VIFPVBQESA-N 1 0 288.303 2.072 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H](CC(N)=O)c2ccccc2)c1 ZINC000815154055 632973281 /nfs/dbraw/zinc/97/32/81/632973281.db2.gz JVIRAHHNXGZUKY-OAHLLOKOSA-N 1 0 284.359 2.407 20 10 CECDRO CN(C)C(=O)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816481917 633397204 /nfs/dbraw/zinc/39/72/04/633397204.db2.gz NGDZORJCWZRLFK-UHFFFAOYSA-N 1 0 272.348 2.065 20 10 CECDRO CCc1nocc1C[NH2+]Cc1cccc(OC)c1O ZINC000816610721 633422087 /nfs/dbraw/zinc/42/20/87/633422087.db2.gz VXBUXXCOXDTEOB-UHFFFAOYSA-N 1 0 262.309 2.241 20 10 CECDRO COc1cc(Cl)cc(CN2CCC3(CC[NH2+]3)CC2)c1O ZINC000817865558 633747841 /nfs/dbraw/zinc/74/78/41/633747841.db2.gz LGQKGQYIRMHDRC-UHFFFAOYSA-N 1 0 296.798 2.382 20 10 CECDRO C[C@H](NCc1ccc2c(c1)CCO2)[C@H]1CCCC[NH2+]1 ZINC000817902849 633764144 /nfs/dbraw/zinc/76/41/44/633764144.db2.gz ZKQSRGFBQONGEZ-SWLSCSKDSA-N 1 0 260.381 2.242 20 10 CECDRO C[C@@H](NCC[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000817934262 633786903 /nfs/dbraw/zinc/78/69/03/633786903.db2.gz FGTQYXVFIKLIIE-GFCCVEGCSA-N 1 0 265.376 2.425 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CN1C1CC1 ZINC000817955934 633799427 /nfs/dbraw/zinc/79/94/27/633799427.db2.gz LTIUMFAXFLNWCA-IUODEOHRSA-N 1 0 259.397 2.026 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817959844 633801163 /nfs/dbraw/zinc/80/11/63/633801163.db2.gz JREXJMCJCDWLFS-COPLHBTASA-N 1 0 293.367 2.469 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CN)CC(C)C)c1 ZINC000817959148 633801679 /nfs/dbraw/zinc/80/16/79/633801679.db2.gz PTWPTJPZAROCHO-RYUDHWBXSA-N 1 0 266.385 2.425 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@@H](CN)C2CC2)c2c1c(F)ccc2O ZINC000817961313 633802922 /nfs/dbraw/zinc/80/29/22/633802922.db2.gz XCSPGXHTZJNTHN-FXAINCCUSA-N 1 0 264.344 2.407 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000817970446 633813521 /nfs/dbraw/zinc/81/35/21/633813521.db2.gz VQKVHVNDHREJHG-WCFLWFBJSA-N 1 0 292.379 2.099 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817977288 633819999 /nfs/dbraw/zinc/81/99/99/633819999.db2.gz GSBQWPLCSUFZEM-VHSXEESVSA-N 1 0 267.329 2.078 20 10 CECDRO C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1cc(F)ccc1O ZINC000817984444 633826679 /nfs/dbraw/zinc/82/66/79/633826679.db2.gz SUUMWGRKAXASEY-ZYHUDNBSSA-N 1 0 252.333 2.324 20 10 CECDRO Cc1cc(C(=O)N(C)CC[NH3+])c(C)n1-c1ccccc1C ZINC000818010664 633834159 /nfs/dbraw/zinc/83/41/59/633834159.db2.gz RCDAKQBNNWYZRD-UHFFFAOYSA-N 1 0 285.391 2.433 20 10 CECDRO CCn1nc(C)c(C[NH2+]Cc2cc(C)c(C)cc2O)n1 ZINC000818221004 633887617 /nfs/dbraw/zinc/88/76/17/633887617.db2.gz MDOYPYWLNFOVNE-UHFFFAOYSA-N 1 0 274.368 2.219 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCCS(C)(=O)=O)c(O)c1C ZINC000818351526 633914894 /nfs/dbraw/zinc/91/48/94/633914894.db2.gz TUKGKSLHWSYZLF-CYBMUJFWSA-N 1 0 299.436 2.484 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901055244 633940826 /nfs/dbraw/zinc/94/08/26/633940826.db2.gz LBVBMYVLINBUME-HUUCEWRRSA-N 1 0 288.391 2.368 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)CCOC(C)C ZINC000819076435 634062042 /nfs/dbraw/zinc/06/20/42/634062042.db2.gz BYXKPGUYMKRRHI-KRWDZBQOSA-N 1 0 294.439 2.327 20 10 CECDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C1=CC(=O)CS1 ZINC000819922959 634284327 /nfs/dbraw/zinc/28/43/27/634284327.db2.gz QFWOEMSIXIKARO-SNVBAGLBSA-N 1 0 282.409 2.256 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC000903286771 635050367 /nfs/dbraw/zinc/05/03/67/635050367.db2.gz NVTTWHBQYKGIRT-MWDKANPLSA-N 1 0 257.333 2.145 20 10 CECDRO COc1nn(C)cc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000903337149 635067691 /nfs/dbraw/zinc/06/76/91/635067691.db2.gz STWYSRQALCOTBF-LBPRGKRZSA-N 1 0 288.395 2.346 20 10 CECDRO CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000903342480 635069764 /nfs/dbraw/zinc/06/97/64/635069764.db2.gz FIDMTBLLZQQGCL-GJZGRUSLSA-N 1 0 292.423 2.462 20 10 CECDRO CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccccc1O ZINC000903343203 635071415 /nfs/dbraw/zinc/07/14/15/635071415.db2.gz NMUCIGPNYHIDTD-UONOGXRCSA-N 1 0 278.396 2.154 20 10 CECDRO COc1cc(N(C)C[C@@H]2CC[C@H]([NH3+])C2)cc(OC)c1OC ZINC000903439553 635118684 /nfs/dbraw/zinc/11/86/84/635118684.db2.gz KIIFKSMTOOEJRH-NEPJUHHUSA-N 1 0 294.395 2.276 20 10 CECDRO C[C@@H]1C[NH2+]C[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000903960379 635371096 /nfs/dbraw/zinc/37/10/96/635371096.db2.gz HKLIFNOFIPKYJN-RHSMWYFYSA-N 1 0 273.424 2.374 20 10 CECDRO COc1nccc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000824195524 635374448 /nfs/dbraw/zinc/37/44/48/635374448.db2.gz HOBDRZJLTSRNLI-GFCCVEGCSA-N 1 0 286.379 2.402 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903954538 635388046 /nfs/dbraw/zinc/38/80/46/635388046.db2.gz DSNJBSYYMUGBFV-SNVBAGLBSA-N 1 0 290.741 2.380 20 10 CECDRO C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000903968697 635400796 /nfs/dbraw/zinc/40/07/96/635400796.db2.gz ZFNKPJJYAGZMGG-SCZZXKLOSA-N 1 0 272.751 2.130 20 10 CECDRO COC[C@](C)(O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000824559597 635450285 /nfs/dbraw/zinc/45/02/85/635450285.db2.gz WDTPCFQUNDJKJH-QGZVFWFLSA-N 1 0 289.375 2.423 20 10 CECDRO COc1cc(O)c(C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)cc1OC ZINC000824815319 635502970 /nfs/dbraw/zinc/50/29/70/635502970.db2.gz LRHBUMJNLOWLKT-SMDDNHRTSA-N 1 0 295.379 2.266 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CCC[C@H]2OC)cc1OC ZINC000824903392 635521421 /nfs/dbraw/zinc/52/14/21/635521421.db2.gz FYSKWAGFZDUHLZ-DGCLKSJQSA-N 1 0 281.352 2.067 20 10 CECDRO c1cc2c(cc1CN[C@H]1CCCC[NH2+]C1)CCCO2 ZINC000904358550 635590149 /nfs/dbraw/zinc/59/01/49/635590149.db2.gz PGRMYUMYVCACPW-HNNXBMFYSA-N 1 0 260.381 2.243 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CCCO)C2)c1 ZINC000825339080 635620317 /nfs/dbraw/zinc/62/03/17/635620317.db2.gz ZXPRJESDIMRWEI-CYBMUJFWSA-N 1 0 279.380 2.385 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CCCOCC2)cc1Cl ZINC000825927499 635733849 /nfs/dbraw/zinc/73/38/49/635733849.db2.gz DGXFCFVEJSCDLM-UHFFFAOYSA-N 1 0 298.814 2.166 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)[NH3+])cc1 ZINC000826020535 635747602 /nfs/dbraw/zinc/74/76/02/635747602.db2.gz UUUZJYVQUPKIKV-UHFFFAOYSA-N 1 0 277.412 2.229 20 10 CECDRO Cc1cccc(C[NH2+]CC[S@](=O)CC(F)(F)F)c1O ZINC000826868020 635866533 /nfs/dbraw/zinc/86/65/33/635866533.db2.gz ONSJAPDTQBMGOP-IBGZPJMESA-N 1 0 295.326 2.101 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2COCCO2)c(Cl)c1 ZINC000827139468 636231425 /nfs/dbraw/zinc/23/14/25/636231425.db2.gz BBQMLTPCYMZNSY-NSHDSACASA-N 1 0 285.771 2.201 20 10 CECDRO COc1cc(O)c(C[NH2+]CCc2ccoc2)cc1OC ZINC000827229913 636262732 /nfs/dbraw/zinc/26/27/32/636262732.db2.gz ONOGFKIEHBXTLB-UHFFFAOYSA-N 1 0 277.320 2.335 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000827341245 636298749 /nfs/dbraw/zinc/29/87/49/636298749.db2.gz YEANBUULJTUFSW-MRXNPFEDSA-N 1 0 289.423 2.276 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000827341003 636298839 /nfs/dbraw/zinc/29/88/39/636298839.db2.gz OXNQCOYIZFFXRP-XJKSGUPXSA-N 1 0 289.423 2.147 20 10 CECDRO Cc1cncc(CC[NH2+]Cc2ccc(N(C)C)cc2C)n1 ZINC000827376823 636310581 /nfs/dbraw/zinc/31/05/81/636310581.db2.gz IINWLSWWIAVCPB-UHFFFAOYSA-N 1 0 284.407 2.492 20 10 CECDRO CN(C)c1ccc(C[N@H+](CC[S@](C)=O)C2CC2)cc1 ZINC000827443152 636321878 /nfs/dbraw/zinc/32/18/78/636321878.db2.gz XYZUTYTWIAKTGL-IBGZPJMESA-N 1 0 280.437 2.096 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c1O ZINC000827633696 636370711 /nfs/dbraw/zinc/37/07/11/636370711.db2.gz BVRBZFNOBYFOLP-CQSZACIVSA-N 1 0 288.391 2.145 20 10 CECDRO CC(C)[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](C)[NH3+] ZINC000827901607 636455123 /nfs/dbraw/zinc/45/51/23/636455123.db2.gz RYLHNBXKNMEFLS-NHYWBVRUSA-N 1 0 295.402 2.127 20 10 CECDRO CC(C)[C@H](C(=O)N[C@H](C)c1ccccc1O)[NH+](C)C ZINC000827937294 636463765 /nfs/dbraw/zinc/46/37/65/636463765.db2.gz QVVGPYDZIXDCEA-BXUZGUMPSA-N 1 0 264.369 2.156 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCSc1nccs1 ZINC000829528619 636875425 /nfs/dbraw/zinc/87/54/25/636875425.db2.gz UFACECIGFJDNMQ-MNOVXSKESA-N 1 0 299.465 2.130 20 10 CECDRO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)Cc2ccccc2O)C1 ZINC000906991417 636913045 /nfs/dbraw/zinc/91/30/45/636913045.db2.gz NHTRULLNWPLQBF-OAHLLOKOSA-N 1 0 290.407 2.473 20 10 CECDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)cc1C ZINC000829764061 636924281 /nfs/dbraw/zinc/92/42/81/636924281.db2.gz FJQNKNOTAYJFGB-HZPDHXFCSA-N 1 0 289.423 2.065 20 10 CECDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000830180244 637000932 /nfs/dbraw/zinc/00/09/32/637000932.db2.gz JTNWZWBERKZYAB-ZDUSSCGKSA-N 1 0 280.343 2.020 20 10 CECDRO CC/C=C(\C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279249 637532294 /nfs/dbraw/zinc/53/22/94/637532294.db2.gz HWRBPGXYAZHCIG-MFMIUCCHSA-N 1 0 275.396 2.225 20 10 CECDRO C[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000832281592 637533074 /nfs/dbraw/zinc/53/30/74/637533074.db2.gz UNXOVSDFYAYCNB-WBMJQRKESA-N 1 0 289.423 2.305 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](CN)C(C)(C)C)c1O ZINC000841088092 637672657 /nfs/dbraw/zinc/67/26/57/637672657.db2.gz WUUZNOXCNJJEBV-CYBMUJFWSA-N 1 0 266.385 2.254 20 10 CECDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCc2ccc(F)cc21 ZINC000876630796 650367394 /nfs/dbraw/zinc/36/73/94/650367394.db2.gz KVKMCRITAUCKAR-UXONFWTHSA-N 1 0 274.339 2.271 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000834849863 637969252 /nfs/dbraw/zinc/96/92/52/637969252.db2.gz GXADWZNCPJBIPG-HUUCEWRRSA-N 1 0 292.423 2.198 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2CCO)c(O)c1 ZINC000834850585 637970838 /nfs/dbraw/zinc/97/08/38/637970838.db2.gz NCWNNQVIZSXWPL-LSDHHAIUSA-N 1 0 292.423 2.198 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cc(F)ccc1O ZINC000834849995 637971061 /nfs/dbraw/zinc/97/10/61/637971061.db2.gz ICRSLOXTMRWXTK-OCCSQVGLSA-N 1 0 296.386 2.029 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)cc1 ZINC000834906338 637983600 /nfs/dbraw/zinc/98/36/00/637983600.db2.gz DGONNEQMEPCXSS-AEGPPILISA-N 1 0 289.423 2.447 20 10 CECDRO CC[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccccc1O ZINC000834908860 637984603 /nfs/dbraw/zinc/98/46/03/637984603.db2.gz MJHMPXJNDGTMFB-DOMZBBRYSA-N 1 0 262.353 2.102 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)CC)cc1)C(=O)NC ZINC000834913050 637986001 /nfs/dbraw/zinc/98/60/01/637986001.db2.gz OESIEUYTTBTVGD-DOMZBBRYSA-N 1 0 277.412 2.318 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c(O)c1C ZINC000834910210 637986267 /nfs/dbraw/zinc/98/62/67/637986267.db2.gz VWTDKYSCOXNKMW-LRDDRELGSA-N 1 0 276.380 2.328 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH+]2CCC(CO)CC2)cc1 ZINC000835025964 638028686 /nfs/dbraw/zinc/02/86/86/638028686.db2.gz PDIYWIFOQSVPRJ-ARJAWSKDSA-N 1 0 274.408 2.470 20 10 CECDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCCCSc1nccs1 ZINC000876662986 650385840 /nfs/dbraw/zinc/38/58/40/650385840.db2.gz UWHCLHZHNFYFBH-VHSXEESVSA-N 1 0 299.465 2.115 20 10 CECDRO CCc1nncn1CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835040101 638034006 /nfs/dbraw/zinc/03/40/06/638034006.db2.gz OCKXCFYUXZESFL-AATRIKPKSA-N 1 0 299.422 2.210 20 10 CECDRO CC[S@@](=O)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835040020 638034058 /nfs/dbraw/zinc/03/40/58/638034058.db2.gz OTUOIUCMXZAHGX-SFFCAUCYSA-N 1 0 280.437 2.124 20 10 CECDRO C[C@@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N(C)C ZINC000835042825 638035287 /nfs/dbraw/zinc/03/52/87/638035287.db2.gz MJCSWIYGSXDECO-UZYOAWRESA-N 1 0 261.413 2.306 20 10 CECDRO Cc1cnc(CC[NH2+]Cc2ccc(N(C)C)cc2)cn1 ZINC000835062574 638044240 /nfs/dbraw/zinc/04/42/40/638044240.db2.gz DBMKFARYLUXKRL-UHFFFAOYSA-N 1 0 270.380 2.183 20 10 CECDRO C[N@H+](CCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C1CC1 ZINC000835061570 638044451 /nfs/dbraw/zinc/04/44/51/638044451.db2.gz IBVQXNLMAVVZKX-UHFFFAOYSA-N 1 0 293.367 2.264 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCc2cnc(C)cn2)c1 ZINC000835062746 638044630 /nfs/dbraw/zinc/04/46/30/638044630.db2.gz WVPQEXJFUNFHLF-UHFFFAOYSA-N 1 0 257.337 2.131 20 10 CECDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000835076693 638049817 /nfs/dbraw/zinc/04/98/17/638049817.db2.gz UMMDDHZBFWXIKK-UHFFFAOYSA-N 1 0 264.369 2.013 20 10 CECDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC000876739622 650415309 /nfs/dbraw/zinc/41/53/09/650415309.db2.gz DQLMPTPWKIEOOR-AWEZNQCLSA-N 1 0 289.375 2.476 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876767147 650425451 /nfs/dbraw/zinc/42/54/51/650425451.db2.gz CFQCTILSIRQLNS-GJZGRUSLSA-N 1 0 289.423 2.051 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000876900244 650478567 /nfs/dbraw/zinc/47/85/67/650478567.db2.gz WPXBRDJFUPMVJR-AWEZNQCLSA-N 1 0 279.380 2.376 20 10 CECDRO COCCC[N@H+](CCOC)Cc1cc(C)cc(C)c1O ZINC000164211757 639354221 /nfs/dbraw/zinc/35/42/21/639354221.db2.gz OOEUYSHLYCIGSS-UHFFFAOYSA-N 1 0 281.396 2.494 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCNC(=O)C2)cc1 ZINC000876944462 650499362 /nfs/dbraw/zinc/49/93/62/650499362.db2.gz LUHFGZJJBOHDJG-OAHLLOKOSA-N 1 0 289.423 2.291 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000226611447 639555732 /nfs/dbraw/zinc/55/57/32/639555732.db2.gz OUUIPSQCGNKDSD-GXFFZTMASA-N 1 0 253.317 2.172 20 10 CECDRO COCCOCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840884021 639572230 /nfs/dbraw/zinc/57/22/30/639572230.db2.gz IYXWFQCJSJDSLH-UHFFFAOYSA-N 1 0 273.760 2.107 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000840908038 639581400 /nfs/dbraw/zinc/58/14/00/639581400.db2.gz NGFLCHZFTZVXLR-AWEZNQCLSA-N 1 0 262.397 2.265 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c(Cl)c1 ZINC000840916575 639583754 /nfs/dbraw/zinc/58/37/54/639583754.db2.gz KPYLJJHPPVWDCL-LLVKDONJSA-N 1 0 296.798 2.441 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000840914628 639584780 /nfs/dbraw/zinc/58/47/80/639584780.db2.gz FRRKNYDBVZVPFX-IYBDPMFKSA-N 1 0 260.381 2.424 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000840930632 639590265 /nfs/dbraw/zinc/59/02/65/639590265.db2.gz NGGLNOKXZLHILX-GFCCVEGCSA-N 1 0 276.302 2.074 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCSCC1 ZINC000840936528 639591229 /nfs/dbraw/zinc/59/12/29/639591229.db2.gz KBOFSBFKBWFRRC-UHFFFAOYSA-N 1 0 293.480 2.199 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C[C@@H](C)O ZINC000840936506 639591406 /nfs/dbraw/zinc/59/14/06/639591406.db2.gz KKXZDKFMQNWTMY-CHWSQXEVSA-N 1 0 250.386 2.310 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC(C)(C)O ZINC000840937041 639592687 /nfs/dbraw/zinc/59/26/87/639592687.db2.gz FLKPURKKBHQPOJ-UHFFFAOYSA-N 1 0 250.386 2.312 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC[C@H](C)O ZINC000840940608 639594186 /nfs/dbraw/zinc/59/41/86/639594186.db2.gz HUONDMQGFVZJPV-ZDUSSCGKSA-N 1 0 250.386 2.312 20 10 CECDRO CC[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000169089288 639596517 /nfs/dbraw/zinc/59/65/17/639596517.db2.gz NISMZYSQBSQPFL-NSHDSACASA-N 1 0 273.760 2.305 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH+]1CC(C(C)(C)O)C1 ZINC000840953325 639598979 /nfs/dbraw/zinc/59/89/79/639598979.db2.gz PWIFAKGYXVQCFR-UHFFFAOYSA-N 1 0 262.397 2.264 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000840953827 639599286 /nfs/dbraw/zinc/59/92/86/639599286.db2.gz BAYLISAWGXSTDZ-INIZCTEOSA-N 1 0 277.364 2.402 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000840957843 639601085 /nfs/dbraw/zinc/60/10/85/639601085.db2.gz GKJPUTWIOZGMQQ-NXEZZACHSA-N 1 0 253.367 2.384 20 10 CECDRO Cc1cccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c1O ZINC000840960771 639601304 /nfs/dbraw/zinc/60/13/04/639601304.db2.gz UNBPCWKRMHISGR-UHFFFAOYSA-N 1 0 285.409 2.004 20 10 CECDRO Cc1cccc(C[N@@H+](C)C(C)(C)CN2CCOCC2)c1O ZINC000840976012 639606946 /nfs/dbraw/zinc/60/69/46/639606946.db2.gz CLWYOJQQSSTDMG-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO CC(C)[N@@H+](Cc1cc(F)ccc1O)C[C@H]1CCC(=O)N1 ZINC000840976686 639607343 /nfs/dbraw/zinc/60/73/43/639607343.db2.gz PXGNJGBGMXNGKH-CYBMUJFWSA-N 1 0 280.343 2.020 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CN)CC(C)C)c(O)c1 ZINC000841037957 639628995 /nfs/dbraw/zinc/62/89/95/639628995.db2.gz DPXCHZAUIVLHIZ-CYBMUJFWSA-N 1 0 266.385 2.254 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCSC2)c(O)c1 ZINC000228554910 639642716 /nfs/dbraw/zinc/64/27/16/639642716.db2.gz TWYQFEFNLJKUHL-SNVBAGLBSA-N 1 0 253.367 2.244 20 10 CECDRO C[C@@H](CCC[NH3+])[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841080046 639648343 /nfs/dbraw/zinc/64/83/43/639648343.db2.gz NFTVXPFSOJFBIQ-QMMMGPOBSA-N 1 0 260.740 2.402 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@H]1C[NH2+]CCC1(F)F ZINC000841080985 639649427 /nfs/dbraw/zinc/64/94/27/639649427.db2.gz RPNJERXFSOHMAM-AWEZNQCLSA-N 1 0 283.366 2.148 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[NH2+]C1(C)C ZINC000841086635 639652350 /nfs/dbraw/zinc/65/23/50/639652350.db2.gz OVNHBVCPSFYSDR-OAHLLOKOSA-N 1 0 261.413 2.291 20 10 CECDRO Cc1cc(O)c(CN[C@H](CC[NH3+])C(F)(F)F)cc1C ZINC000841090745 639653684 /nfs/dbraw/zinc/65/36/84/639653684.db2.gz MRCSQRXLXHOLPZ-GFCCVEGCSA-N 1 0 276.302 2.378 20 10 CECDRO CCOc1ccc(CN[C@@H]2CCCC[NH2+]C2)c(O)c1 ZINC000841089160 639653948 /nfs/dbraw/zinc/65/39/48/639653948.db2.gz FUGCQTNVQBXMGM-CYBMUJFWSA-N 1 0 264.369 2.023 20 10 CECDRO Cc1csc(CC[NH2+]Cc2cc3c(cc2O)OCO3)n1 ZINC000060942050 639663625 /nfs/dbraw/zinc/66/36/25/639663625.db2.gz ZFTPFCPRHGAHBU-UHFFFAOYSA-N 1 0 292.360 2.218 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C[NH3+] ZINC000841101118 639667504 /nfs/dbraw/zinc/66/75/04/639667504.db2.gz OJLIOPZBTSCBJZ-CMPLNLGQSA-N 1 0 268.788 2.462 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)C(=O)NC(C)C)cc1C ZINC000228941857 639665407 /nfs/dbraw/zinc/66/54/07/639665407.db2.gz VKDHVIDGTWFWJR-GFCCVEGCSA-N 1 0 264.369 2.006 20 10 CECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(N)cc2)[C@H](C)C1 ZINC000841298924 639731663 /nfs/dbraw/zinc/73/16/63/639731663.db2.gz URZUCUSXAKXWFP-DOMZBBRYSA-N 1 0 290.411 2.463 20 10 CECDRO CCOc1cccc(C[NH2+][C@@]2(C)CCO[C@H]2C)c1O ZINC000230153090 639742965 /nfs/dbraw/zinc/74/29/65/639742965.db2.gz KHFYYFRPNDHFIN-NHYWBVRUSA-N 1 0 265.353 2.448 20 10 CECDRO COC1CC([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000230690741 639783285 /nfs/dbraw/zinc/78/32/85/639783285.db2.gz RRJRISPTJRNGBO-UHFFFAOYSA-N 1 0 286.169 2.422 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2nc(C)cs2)c1 ZINC000063132612 639832153 /nfs/dbraw/zinc/83/21/53/639832153.db2.gz CSLWEVVNAKJHSS-UHFFFAOYSA-N 1 0 278.377 2.498 20 10 CECDRO CC1(C)[C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]21 ZINC000172942030 639832275 /nfs/dbraw/zinc/83/22/75/639832275.db2.gz CDGWHYDTQSACLG-PHIMTYICSA-N 1 0 261.321 2.209 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)N(C)[C@@H](C)C[NH3+])cc1 ZINC000841717873 639848079 /nfs/dbraw/zinc/84/80/79/639848079.db2.gz NSFMWLZYLIILFX-ZDUSSCGKSA-N 1 0 292.427 2.021 20 10 CECDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841744681 639854781 /nfs/dbraw/zinc/85/47/81/639854781.db2.gz JYIJYAFKKYIYNF-NEPJUHHUSA-N 1 0 298.814 2.417 20 10 CECDRO CCCNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841744178 639855764 /nfs/dbraw/zinc/85/57/64/639855764.db2.gz MQBPCWMEHAXHAQ-VIFPVBQESA-N 1 0 270.760 2.222 20 10 CECDRO COCCOCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841745227 639855784 /nfs/dbraw/zinc/85/57/84/639855784.db2.gz OEZMSHTUHOPLRS-SNVBAGLBSA-N 1 0 273.760 2.359 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841752547 639858021 /nfs/dbraw/zinc/85/80/21/639858021.db2.gz UFNJJZXDNOUCPB-RKDXNWHRSA-N 1 0 291.800 2.129 20 10 CECDRO C[C@H]([NH2+]CC1(C)OCCO1)c1ccc(Cl)cc1O ZINC000841751417 639858757 /nfs/dbraw/zinc/85/87/57/639858757.db2.gz MRYLUJONJBOXGO-VIFPVBQESA-N 1 0 271.744 2.459 20 10 CECDRO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841756235 639859638 /nfs/dbraw/zinc/85/96/38/639859638.db2.gz WGLNTGOCVXSTQT-MWLCHTKSSA-N 1 0 273.760 2.094 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c1O ZINC000841893473 639901529 /nfs/dbraw/zinc/90/15/29/639901529.db2.gz FXNIUNZFAFISBI-GFCCVEGCSA-N 1 0 270.323 2.130 20 10 CECDRO CO[C@@H](C[NH2+]Cc1c(C)cccc1O)C(F)(F)F ZINC000877028011 650537452 /nfs/dbraw/zinc/53/74/52/650537452.db2.gz UVRZKNXGSHIIKQ-NSHDSACASA-N 1 0 263.259 2.368 20 10 CECDRO CC[C@H](C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1)OC ZINC000842153939 639967883 /nfs/dbraw/zinc/96/78/83/639967883.db2.gz XHLZRGLTRBOJCO-CQSZACIVSA-N 1 0 296.386 2.381 20 10 CECDRO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cc(F)ccc1O ZINC000842921385 640221137 /nfs/dbraw/zinc/22/11/37/640221137.db2.gz YFXCRDQDKKZVBN-ZBEGNZNMSA-N 1 0 297.370 2.360 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843046348 640250987 /nfs/dbraw/zinc/25/09/87/640250987.db2.gz XCUASCRFQZALRG-SWLSCSKDSA-N 1 0 278.371 2.495 20 10 CECDRO [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843047496 640252212 /nfs/dbraw/zinc/25/22/12/640252212.db2.gz PZVMNTMZORIINX-JTQLQIEISA-N 1 0 299.212 2.325 20 10 CECDRO CCOc1cccc(CN(C2CC2)[C@H]2CC[NH2+]C2)c1O ZINC000843055398 640257652 /nfs/dbraw/zinc/25/76/52/640257652.db2.gz ITLIVDQWMQPKEE-AWEZNQCLSA-N 1 0 276.380 2.117 20 10 CECDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(N(C)C)cc1C ZINC000843056122 640258560 /nfs/dbraw/zinc/25/85/60/640258560.db2.gz TXYUCDBLRAUHEC-INIZCTEOSA-N 1 0 261.413 2.245 20 10 CECDRO [NH3+]CCN(Cc1ccccc1)Cc1cccc(F)c1O ZINC000843060239 640262949 /nfs/dbraw/zinc/26/29/49/640262949.db2.gz YWKGOHUHCZANGA-UHFFFAOYSA-N 1 0 274.339 2.492 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000843119902 640288388 /nfs/dbraw/zinc/28/83/88/640288388.db2.gz LZHMNELCAFSCSQ-ZIAGYGMSSA-N 1 0 261.413 2.243 20 10 CECDRO CCN(CC)C(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349898 640399127 /nfs/dbraw/zinc/39/91/27/640399127.db2.gz LWIJTDIDZJXKQN-CYBMUJFWSA-N 1 0 289.423 2.155 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000914435592 640406541 /nfs/dbraw/zinc/40/65/41/640406541.db2.gz HSEDXUDQEZWFJI-STQMWFEESA-N 1 0 251.301 2.046 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000843414483 640419373 /nfs/dbraw/zinc/41/93/73/640419373.db2.gz GBWJDXDRBURYOI-CQSZACIVSA-N 1 0 284.363 2.177 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000843487473 640440946 /nfs/dbraw/zinc/44/09/46/640440946.db2.gz GUFUYADNBMCCOY-HNNXBMFYSA-N 1 0 289.423 2.099 20 10 CECDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C2 ZINC000915228892 640532824 /nfs/dbraw/zinc/53/28/24/640532824.db2.gz FGSAGUNJPOERKX-MRXNPFEDSA-N 1 0 296.418 2.498 20 10 CECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(N)cc2)C[C@@H]1C ZINC000844184970 640625831 /nfs/dbraw/zinc/62/58/31/640625831.db2.gz BAFKKNMDHLRLBX-BBRMVZONSA-N 1 0 289.423 2.143 20 10 CECDRO COCCCOCC[N@H+](C)Cc1ccc(C)cc1O ZINC000877172846 650610237 /nfs/dbraw/zinc/61/02/37/650610237.db2.gz URORYGUUCPRWND-UHFFFAOYSA-N 1 0 267.369 2.186 20 10 CECDRO COc1ccc(N2CCC[N@H+](C[C@H]3CCOC3)CC2)cc1 ZINC000917087832 640848110 /nfs/dbraw/zinc/84/81/10/640848110.db2.gz JUYDXYGKPCEAJE-OAHLLOKOSA-N 1 0 290.407 2.244 20 10 CECDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cn1cccn1 ZINC000917397703 640881340 /nfs/dbraw/zinc/88/13/40/640881340.db2.gz ZVXMMCLGRLLVHK-CYBMUJFWSA-N 1 0 271.364 2.244 20 10 CECDRO CCN(CC)c1ccc(CN2CC[NH+](C)CC2)cc1F ZINC000154407065 640887164 /nfs/dbraw/zinc/88/71/64/640887164.db2.gz ZIRLAKZUYWOWAG-UHFFFAOYSA-N 1 0 279.403 2.419 20 10 CECDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000846019520 641154243 /nfs/dbraw/zinc/15/42/43/641154243.db2.gz ZRFRHRURFPBZRN-RISCZKNCSA-N 1 0 267.369 2.288 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000846144308 641200843 /nfs/dbraw/zinc/20/08/43/641200843.db2.gz CDWHGHDNLPQIRU-NEPJUHHUSA-N 1 0 292.379 2.062 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCCc2cnn(C)c2)c1O ZINC000846148326 641203338 /nfs/dbraw/zinc/20/33/38/641203338.db2.gz ZNZOJVLDKCOOFY-GFCCVEGCSA-N 1 0 289.379 2.418 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000846156548 641206126 /nfs/dbraw/zinc/20/61/26/641206126.db2.gz FYDOUQYCNLUUFC-QPUJVOFHSA-N 1 0 293.285 2.365 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)c1O ZINC000846162249 641208360 /nfs/dbraw/zinc/20/83/60/641208360.db2.gz CGFOPBWEZALINY-VXGBXAGGSA-N 1 0 287.363 2.263 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCC2(C)OCCO2)c1O ZINC000846161664 641208604 /nfs/dbraw/zinc/20/86/04/641208604.db2.gz ADYWRYQHEGYMGE-LLVKDONJSA-N 1 0 281.352 2.205 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCn3ccnc32)c1O ZINC000846168497 641210505 /nfs/dbraw/zinc/21/05/05/641210505.db2.gz AEWDQBWZPYVFHV-JQWIXIFHSA-N 1 0 273.336 2.393 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2COCC2(C)C)c1O ZINC000846167992 641210660 /nfs/dbraw/zinc/21/06/60/641210660.db2.gz FYFOZFKSHKQKNR-GWCFXTLKSA-N 1 0 265.353 2.476 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC2(N(C)C)CC2)c1O ZINC000846171240 641211798 /nfs/dbraw/zinc/21/17/98/641211798.db2.gz FHSHTYRQJXNQTD-NSHDSACASA-N 1 0 264.369 2.146 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)C2CCC2)c1O ZINC000846170298 641212071 /nfs/dbraw/zinc/21/20/71/641212071.db2.gz WKVRVXZNYISYRH-MFKMUULPSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1O ZINC000846188682 641218048 /nfs/dbraw/zinc/21/80/48/641218048.db2.gz IJBRXKUBDVZMAD-WFFHOREQSA-N 1 0 263.337 2.371 20 10 CECDRO CC[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000846193742 641218758 /nfs/dbraw/zinc/21/87/58/641218758.db2.gz KTTQUKHOPRCZMU-IAGOWNOFSA-N 1 0 292.423 2.335 20 10 CECDRO C[C@H]([NH2+]CCN1CCCC1=O)c1cc(Cl)ccc1O ZINC000846206229 641220805 /nfs/dbraw/zinc/22/08/05/641220805.db2.gz ODNVQCXCJSPCEQ-JTQLQIEISA-N 1 0 282.771 2.319 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](CO)CCF)c(O)c1 ZINC000846208406 641221688 /nfs/dbraw/zinc/22/16/88/641221688.db2.gz JOWLDIACHJMNJH-NEPJUHHUSA-N 1 0 255.333 2.380 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@H](CO)CCF)c2c1c(F)ccc2O ZINC000846208772 641223228 /nfs/dbraw/zinc/22/32/28/641223228.db2.gz KYMFSHUSDDSEOP-YWVKMMECSA-N 1 0 271.307 2.390 20 10 CECDRO COCCC[N@H+](CCOC)Cc1cc2c(cc1O)CCC2 ZINC000921055343 641223821 /nfs/dbraw/zinc/22/38/21/641223821.db2.gz NTWPHKOCKGHVPK-UHFFFAOYSA-N 1 0 293.407 2.366 20 10 CECDRO Cc1cc(C[NH3+])oc1C(=O)N[C@@H](C)c1ccccc1O ZINC000877256645 650644412 /nfs/dbraw/zinc/64/44/12/650644412.db2.gz BOERMMBOINGMQN-JTQLQIEISA-N 1 0 274.320 2.243 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccccc1O ZINC000179874063 641389077 /nfs/dbraw/zinc/38/90/77/641389077.db2.gz IALLMQMISAYQPR-NSHDSACASA-N 1 0 270.332 2.342 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn3cccnc3n2)c1 ZINC000182429444 641658374 /nfs/dbraw/zinc/65/83/74/641658374.db2.gz QUYWBZTZGAMKJH-NSHDSACASA-N 1 0 298.346 2.294 20 10 CECDRO C[N@H+](CCNC(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000071379513 641754534 /nfs/dbraw/zinc/75/45/34/641754534.db2.gz QPTWGCKYTPGIMV-UHFFFAOYSA-N 1 0 276.384 2.265 20 10 CECDRO CC(C)[C@@H]1CN(C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000184740061 641898556 /nfs/dbraw/zinc/89/85/56/641898556.db2.gz BXJLZGRUOWPOND-AWEZNQCLSA-N 1 0 266.360 2.303 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COCC(C)C)c1 ZINC000185116918 641938545 /nfs/dbraw/zinc/93/85/45/641938545.db2.gz JRIJOKSETXZEFT-ZIAGYGMSSA-N 1 0 281.396 2.385 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)CSC)c1 ZINC000185530333 641989886 /nfs/dbraw/zinc/98/98/86/641989886.db2.gz BIRAITGTEBUKGF-MNOVXSKESA-N 1 0 285.409 2.165 20 10 CECDRO CO[C@](C)(CO)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000848556424 642052024 /nfs/dbraw/zinc/05/20/24/642052024.db2.gz XNHGEMIJDDMGJW-ZANVPECISA-N 1 0 273.760 2.094 20 10 CECDRO COC1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CCOCC1 ZINC000186147225 642072599 /nfs/dbraw/zinc/07/25/99/642072599.db2.gz UMMRRVQBMCVCOL-NSHDSACASA-N 1 0 283.343 2.378 20 10 CECDRO CCc1cccc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1O ZINC000848880505 642167696 /nfs/dbraw/zinc/16/76/96/642167696.db2.gz PEOMSFBZNLGSQB-UHFFFAOYSA-N 1 0 290.407 2.255 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O)c1O ZINC000848886419 642172242 /nfs/dbraw/zinc/17/22/42/642172242.db2.gz FGROLYTUMQTHSD-RYUDHWBXSA-N 1 0 299.436 2.208 20 10 CECDRO CCc1cccc(C[NH2+]C2COC(C)(C)OC2)c1O ZINC000848902104 642180446 /nfs/dbraw/zinc/18/04/46/642180446.db2.gz KQFSHXGUQFVCSE-UHFFFAOYSA-N 1 0 265.353 2.196 20 10 CECDRO CCc1cccc(C[NH2+][C@](C)(COC)CC(=O)OC)c1O ZINC000848902114 642180665 /nfs/dbraw/zinc/18/06/65/642180665.db2.gz KTGNSGPIMZSFRR-INIZCTEOSA-N 1 0 295.379 2.012 20 10 CECDRO CCc1cccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c1O ZINC000848904870 642181917 /nfs/dbraw/zinc/18/19/17/642181917.db2.gz CBYILWNOCAXZAC-UHFFFAOYSA-N 1 0 290.363 2.029 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000848908082 642183646 /nfs/dbraw/zinc/18/36/46/642183646.db2.gz MRKSVAVDTTWLQI-GUYCJALGSA-N 1 0 291.391 2.334 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[S@@](=O)C[C@@H](C)C2)c1O ZINC000848907306 642184009 /nfs/dbraw/zinc/18/40/09/642184009.db2.gz LDFJJORYLUQPLV-HXPMCKFVSA-N 1 0 281.421 2.155 20 10 CECDRO CCc1cccc(CN(C)CC[N@H+](C)C2CC2)c1O ZINC000848912408 642186312 /nfs/dbraw/zinc/18/63/12/642186312.db2.gz QSWNZGDKBYUHTD-UHFFFAOYSA-N 1 0 262.397 2.481 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1O ZINC000848916847 642190963 /nfs/dbraw/zinc/19/09/63/642190963.db2.gz XVXLSALLPHDBKA-AWEZNQCLSA-N 1 0 271.307 2.157 20 10 CECDRO C[C@@H](O)C[N@H+](Cc1c(O)cccc1Cl)C1CC1 ZINC000848928607 642199341 /nfs/dbraw/zinc/19/93/41/642199341.db2.gz IQNMGCRICRLGHH-SECBINFHSA-N 1 0 255.745 2.391 20 10 CECDRO C[C@H](C[NH2+]Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000320154113 642278036 /nfs/dbraw/zinc/27/80/36/642278036.db2.gz JTGWYFQWVJHVQL-LLVKDONJSA-N 1 0 265.353 2.460 20 10 CECDRO Cc1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)c(O)c1 ZINC000877476329 650739705 /nfs/dbraw/zinc/73/97/05/650739705.db2.gz AVQWVILYBGPIOS-UHFFFAOYSA-N 1 0 298.390 2.249 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000877480736 650741755 /nfs/dbraw/zinc/74/17/55/650741755.db2.gz GJLZRNPNXWEPRG-ZDUSSCGKSA-N 1 0 297.420 2.100 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2c(C3CC3)cnn2C)c1 ZINC000850136970 642590732 /nfs/dbraw/zinc/59/07/32/642590732.db2.gz HOFBDWQXIOXCRS-UHFFFAOYSA-N 1 0 287.363 2.302 20 10 CECDRO CCCn1nccc1C[NH2+]Cc1cc(OC)ccc1O ZINC000850137517 642591291 /nfs/dbraw/zinc/59/12/91/642591291.db2.gz PXDRJAMJKOQNQI-UHFFFAOYSA-N 1 0 275.352 2.297 20 10 CECDRO CO[C@@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)[C@@H]1CCOC1 ZINC000850342853 642673345 /nfs/dbraw/zinc/67/33/45/642673345.db2.gz NYILMFJZHBVWRL-ABAIWWIYSA-N 1 0 299.798 2.495 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000877528572 650769166 /nfs/dbraw/zinc/76/91/66/650769166.db2.gz DUSURNLQBXJJRQ-CYBMUJFWSA-N 1 0 271.364 2.424 20 10 CECDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000850360656 642682499 /nfs/dbraw/zinc/68/24/99/642682499.db2.gz LPDRIOATIRDNSW-HAQNSBGRSA-N 1 0 251.326 2.058 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1C ZINC000850368357 642684222 /nfs/dbraw/zinc/68/42/22/642684222.db2.gz LJNDZWHQAGSGJV-GXTWGEPZSA-N 1 0 297.420 2.064 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1C ZINC000850368359 642684350 /nfs/dbraw/zinc/68/43/50/642684350.db2.gz LJNDZWHQAGSGJV-OCCSQVGLSA-N 1 0 297.420 2.064 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1C ZINC000850367776 642684422 /nfs/dbraw/zinc/68/44/22/642684422.db2.gz DHBRCFAUTKZXDR-GXTWGEPZSA-N 1 0 297.420 2.059 20 10 CECDRO CCOc1ccc(C[NH2+]CCc2cncc(C)n2)c(O)c1 ZINC000850390447 642697462 /nfs/dbraw/zinc/69/74/62/642697462.db2.gz HQZOHIHFOLZYMU-UHFFFAOYSA-N 1 0 287.363 2.222 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000850396259 642699860 /nfs/dbraw/zinc/69/98/60/642699860.db2.gz IKFQIUKNDRNZCT-CYBMUJFWSA-N 1 0 290.407 2.437 20 10 CECDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921831463 642705946 /nfs/dbraw/zinc/70/59/46/642705946.db2.gz WIYVHAMWXUXNGI-BLVKFPJESA-N 1 0 281.421 2.258 20 10 CECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1c(C)cccc1O ZINC000877550151 650782209 /nfs/dbraw/zinc/78/22/09/650782209.db2.gz UJVBXESKBLKNAP-CYBMUJFWSA-N 1 0 278.396 2.343 20 10 CECDRO CON(C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000850479282 642725761 /nfs/dbraw/zinc/72/57/61/642725761.db2.gz PFJZLCZNAVNXKB-MWLCHTKSSA-N 1 0 268.332 2.162 20 10 CECDRO CCOC[C@@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489958 642730644 /nfs/dbraw/zinc/73/06/44/642730644.db2.gz YWXYTHJGVNDUAK-KGLIPLIRSA-N 1 0 278.396 2.289 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921848436 642738460 /nfs/dbraw/zinc/73/84/60/642738460.db2.gz MLZUPUQYMYRVFJ-OAHLLOKOSA-N 1 0 288.391 2.112 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)cc1 ZINC000850547588 642748137 /nfs/dbraw/zinc/74/81/37/642748137.db2.gz UZLJRGOSDKZVHJ-OCCSQVGLSA-N 1 0 275.396 2.072 20 10 CECDRO OC1(CC[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000922113122 642885157 /nfs/dbraw/zinc/88/51/57/642885157.db2.gz IJXGVFNWKGJSIM-UHFFFAOYSA-N 1 0 261.365 2.406 20 10 CECDRO CN(Cc1ccccc1O)[C@H](C(N)=O)c1ccccc1 ZINC000109770585 642925276 /nfs/dbraw/zinc/92/52/76/642925276.db2.gz VNQUJVKGSGUZQP-HNNXBMFYSA-N 1 0 270.332 2.051 20 10 CECDRO Cc1ccc(C[NH2+]C2(CO)CCSCC2)c(O)c1 ZINC000877585272 650801571 /nfs/dbraw/zinc/80/15/71/650801571.db2.gz RCNATZXDOWAVRQ-UHFFFAOYSA-N 1 0 267.394 2.048 20 10 CECDRO CN(CC[NH2+]Cc1ccc2c(c1)CCCO2)CC(F)F ZINC000922300364 643009612 /nfs/dbraw/zinc/00/96/12/643009612.db2.gz WUWBKUOQDNQIMC-UHFFFAOYSA-N 1 0 284.350 2.298 20 10 CECDRO CCCN1C[C@@H](C[NH2+]Cc2c(C)cccc2O)CC1=O ZINC000877594680 650805929 /nfs/dbraw/zinc/80/59/29/650805929.db2.gz ISEUGPDHWOEKJE-CYBMUJFWSA-N 1 0 276.380 2.049 20 10 CECDRO O[C@@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)C(F)F ZINC000922303951 643012379 /nfs/dbraw/zinc/01/23/79/643012379.db2.gz GXZBQCLPXSKAAQ-LBPRGKRZSA-N 1 0 271.307 2.117 20 10 CECDRO C[C@@H]([NH2+]Cc1c2c(nn1C)CCOC2)c1ccccc1O ZINC000922329625 643030422 /nfs/dbraw/zinc/03/04/22/643030422.db2.gz OSCREMGQXULLBL-LLVKDONJSA-N 1 0 287.363 2.049 20 10 CECDRO COCCN1[C@H](C)C[N@@H+](Cc2c(C)cccc2O)C[C@@H]1C ZINC000877605795 650810369 /nfs/dbraw/zinc/81/03/69/650810369.db2.gz JJDZRLSXGLGWPP-GASCZTMLSA-N 1 0 292.423 2.242 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c(O)c1 ZINC000877604735 650810561 /nfs/dbraw/zinc/81/05/61/650810561.db2.gz QANBGLJGCJHFQF-HNNXBMFYSA-N 1 0 279.405 2.409 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C2CC(CC(N)=O)C2)cc1 ZINC000922515080 643103211 /nfs/dbraw/zinc/10/32/11/643103211.db2.gz VRNIJFIWAPYMIY-ARJAWSKDSA-N 1 0 287.407 2.009 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2CCN(C)[C@H]2C)ccc1OC ZINC000922556350 643125580 /nfs/dbraw/zinc/12/55/80/643125580.db2.gz GHESGGJDMLHAMJ-BBRMVZONSA-N 1 0 292.423 2.414 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c(O)c1 ZINC000877620098 650816866 /nfs/dbraw/zinc/81/68/66/650816866.db2.gz PGSMEJOYLYMOSX-UHFFFAOYSA-N 1 0 272.348 2.070 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CCC(=O)O1 ZINC000851792779 643164316 /nfs/dbraw/zinc/16/43/16/643164316.db2.gz SRJQOHQBUUMDNQ-CYBMUJFWSA-N 1 0 263.337 2.310 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H]2COC[C@H]2C)ccc1OC ZINC000922643500 643175545 /nfs/dbraw/zinc/17/55/45/643175545.db2.gz QQXBAHNJZYLDGS-IUODEOHRSA-N 1 0 279.380 2.356 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922809673 643275645 /nfs/dbraw/zinc/27/56/45/643275645.db2.gz NCEMKCCISMPWBH-CQSZACIVSA-N 1 0 277.364 2.210 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000877636014 650827058 /nfs/dbraw/zinc/82/70/58/650827058.db2.gz KKFOIPRYJGEHGT-ZDUSSCGKSA-N 1 0 290.407 2.437 20 10 CECDRO Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c(O)c1 ZINC000877636497 650827637 /nfs/dbraw/zinc/82/76/37/650827637.db2.gz YTQZSIBNMSYXRO-CYBMUJFWSA-N 1 0 290.407 2.437 20 10 CECDRO Cc1cc(C[NH2+][C@@H](CO)C2CCC2)ccc1N(C)C ZINC000852321110 643394137 /nfs/dbraw/zinc/39/41/37/643394137.db2.gz RMPDKNKQZPGAFS-HNNXBMFYSA-N 1 0 262.397 2.312 20 10 CECDRO C/C=C\C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877656876 650836599 /nfs/dbraw/zinc/83/65/99/650836599.db2.gz CJVJPESWFGSUHF-IHWYPQMZSA-N 1 0 260.381 2.313 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000852413339 643418023 /nfs/dbraw/zinc/41/80/23/643418023.db2.gz TWCOJVISBIUCRH-CYBMUJFWSA-N 1 0 291.395 2.064 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCO[C@H]2CCOC2)c(Cl)c1 ZINC000922936791 643463845 /nfs/dbraw/zinc/46/38/45/643463845.db2.gz MYYCHNNZIFTGEO-NSHDSACASA-N 1 0 285.771 2.249 20 10 CECDRO COc1ccc(C[NH2+]Cc2cncc(O)c2)cc1C ZINC000922977012 643492570 /nfs/dbraw/zinc/49/25/70/643492570.db2.gz MEDFSXCNUODWRP-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1O ZINC000877683593 650848979 /nfs/dbraw/zinc/84/89/79/650848979.db2.gz YXOKOXUZUCLNDY-JGFGOLAASA-N 1 0 273.376 2.468 20 10 CECDRO O=C(C=C1CC[NH2+]CC1)N1CCc2c1cccc2F ZINC000852886144 643589190 /nfs/dbraw/zinc/58/91/90/643589190.db2.gz YCGBRYDQHBTWPP-UHFFFAOYSA-N 1 0 260.312 2.025 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccccn2)cc1F ZINC000853099541 643653388 /nfs/dbraw/zinc/65/33/88/643653388.db2.gz XCKWNMUSYFFZDP-MRXNPFEDSA-N 1 0 289.354 2.110 20 10 CECDRO Cc1cc(CN2CC[C@@]3(CCC[NH2+]3)C2)ccc1N(C)C ZINC000923380526 643687085 /nfs/dbraw/zinc/68/70/85/643687085.db2.gz OQMZWKHWHIRGHB-KRWDZBQOSA-N 1 0 273.424 2.389 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c1 ZINC000853541101 643808703 /nfs/dbraw/zinc/80/87/03/643808703.db2.gz PAMNAFYTNITEKY-AWEZNQCLSA-N 1 0 290.363 2.036 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC3(COC3)C1)CCCC2 ZINC000853596906 643827915 /nfs/dbraw/zinc/82/79/15/643827915.db2.gz BHVRMLNGIDLOCF-UHFFFAOYSA-N 1 0 273.376 2.493 20 10 CECDRO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1ccc(N)cc1 ZINC000854014126 643968222 /nfs/dbraw/zinc/96/82/22/643968222.db2.gz ORMXKDRESHWVLX-UHFFFAOYSA-N 1 0 277.412 2.048 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000839147051 644158205 /nfs/dbraw/zinc/15/82/05/644158205.db2.gz CBXATOPBUPBKFO-TXEJJXNPSA-N 1 0 265.353 2.446 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2cn(C)cn2)cc1 ZINC000839149199 644158489 /nfs/dbraw/zinc/15/84/89/644158489.db2.gz OUAKWJVDCFNTPQ-SNAWJCMRSA-N 1 0 284.407 2.332 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CC(c3nc(C)no3)C2)c1 ZINC000839131698 644169232 /nfs/dbraw/zinc/16/92/32/644169232.db2.gz YRIPIFWKNNGBQY-UHFFFAOYSA-N 1 0 289.335 2.082 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH+]2CC(C(C)(C)O)C2)cc1 ZINC000839140134 644171515 /nfs/dbraw/zinc/17/15/15/644171515.db2.gz OGESFVZXVFXDOZ-WAYWQWQTSA-N 1 0 274.408 2.469 20 10 CECDRO CCOc1cccc(C[NH+]2CC3(C2)CCOCC3)c1O ZINC000839141767 644172680 /nfs/dbraw/zinc/17/26/80/644172680.db2.gz ZKNLSAKOXJFHQH-UHFFFAOYSA-N 1 0 277.364 2.403 20 10 CECDRO COc1cccc(O)c1C[NH+]1CC2(C1)CCOCC2 ZINC000839141642 644173047 /nfs/dbraw/zinc/17/30/47/644173047.db2.gz USFPVFIMFSRICN-UHFFFAOYSA-N 1 0 263.337 2.013 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC2(O)CCOCC2)cc1 ZINC000112717001 644184125 /nfs/dbraw/zinc/18/41/25/644184125.db2.gz RPEDKOMGVAESLX-UHFFFAOYSA-N 1 0 292.423 2.164 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)c2ccn(C)n2)c1O ZINC000839189678 644185549 /nfs/dbraw/zinc/18/55/49/644185549.db2.gz BPFGVPZPWZFOTE-NSHDSACASA-N 1 0 275.352 2.375 20 10 CECDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2O)on1 ZINC000877755872 650898810 /nfs/dbraw/zinc/89/88/10/650898810.db2.gz PSVCULVSBOXVCE-SECBINFHSA-N 1 0 276.292 2.018 20 10 CECDRO COCCCn1nccc1C[NH2+][C@H](C)c1ccccc1O ZINC000877755789 650898950 /nfs/dbraw/zinc/89/89/50/650898950.db2.gz MYYNXHCCMYVUHJ-CYBMUJFWSA-N 1 0 289.379 2.476 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)c1ccccc1O ZINC000877755644 650899241 /nfs/dbraw/zinc/89/92/41/650899241.db2.gz JNEJWZZLYUNATF-XQQFMLRXSA-N 1 0 276.380 2.490 20 10 CECDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H](C)c1ccccc1O ZINC000877758116 650899857 /nfs/dbraw/zinc/89/98/57/650899857.db2.gz JNEJWZZLYUNATF-FRRDWIJNSA-N 1 0 276.380 2.490 20 10 CECDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2cc(OC)ccc2O)C1 ZINC000877830929 650925896 /nfs/dbraw/zinc/92/58/96/650925896.db2.gz RDKMBGLKKMUYFV-LLVKDONJSA-N 1 0 293.363 2.032 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C(C)(C)O)C2)cc1OC ZINC000877836065 650928968 /nfs/dbraw/zinc/92/89/68/650928968.db2.gz MAWJZCHBKCIFAS-LBPRGKRZSA-N 1 0 295.379 2.002 20 10 CECDRO COCCOCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756462679 644651868 /nfs/dbraw/zinc/65/18/68/644651868.db2.gz YPCKEVUJOZSPIO-CMPLNLGQSA-N 1 0 283.343 2.332 20 10 CECDRO C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756546573 644662278 /nfs/dbraw/zinc/66/22/78/644662278.db2.gz SEWJPITZBZOSII-LLVKDONJSA-N 1 0 293.367 2.293 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCO[C@H](C)C2)c(O)c1C ZINC000756544475 644662772 /nfs/dbraw/zinc/66/27/72/644662772.db2.gz ISDYYOKZPGSMFO-UKRRQHHQSA-N 1 0 292.423 2.380 20 10 CECDRO O=C(NCC1CC[NH+](CC2CC2)CC1)C1=CC(=O)CS1 ZINC000856414545 644665130 /nfs/dbraw/zinc/66/51/30/644665130.db2.gz MUSWSWXWZWRSLJ-UHFFFAOYSA-N 1 0 294.420 2.306 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)CN(C)C)c1ccc2ccccc2c1O ZINC000756557843 644665770 /nfs/dbraw/zinc/66/57/70/644665770.db2.gz WQQGIXCHHBKDPL-JSGCOSHPSA-N 1 0 288.391 2.119 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc2ccccc2c1O ZINC000756557847 644665988 /nfs/dbraw/zinc/66/59/88/644665988.db2.gz WQQGIXCHHBKDPL-TZMCWYRMSA-N 1 0 288.391 2.119 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(=O)N(C)C ZINC000756735460 644688020 /nfs/dbraw/zinc/68/80/20/644688020.db2.gz DGOVIDMLXGAOSZ-DTWKUNHWSA-N 1 0 270.760 2.173 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c1 ZINC000756757756 644689352 /nfs/dbraw/zinc/68/93/52/644689352.db2.gz DGCXRHKQJOHDKG-XEZPLFJOSA-N 1 0 278.396 2.070 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)CC2CC2)c1 ZINC000756768668 644690394 /nfs/dbraw/zinc/69/03/94/644690394.db2.gz FXXLYPGOPZJIIW-JQWIXIFHSA-N 1 0 265.353 2.212 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)n1 ZINC000757636467 644828383 /nfs/dbraw/zinc/82/83/83/644828383.db2.gz HIKCFSCLVKVPCH-LDYMZIIASA-N 1 0 290.342 2.338 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCCSCC1 ZINC000757874563 644852443 /nfs/dbraw/zinc/85/24/43/644852443.db2.gz KJKBZDMUJWSCRX-UHFFFAOYSA-N 1 0 253.367 2.340 20 10 CECDRO COc1cc(Cl)cc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226738 644859875 /nfs/dbraw/zinc/85/98/75/644859875.db2.gz YGXJSOSILQBGOV-XHDPSFHLSA-N 1 0 296.798 2.367 20 10 CECDRO CC[NH+](CC)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000115489709 644959340 /nfs/dbraw/zinc/95/93/40/644959340.db2.gz XAZVGUKJLJFGEE-UHFFFAOYSA-N 1 0 277.412 2.019 20 10 CECDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858142451 645072904 /nfs/dbraw/zinc/07/29/04/645072904.db2.gz BBSOOADGMGQEMV-VHSXEESVSA-N 1 0 272.339 2.137 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](O)C2CCC2)cc1F ZINC000858174530 645080851 /nfs/dbraw/zinc/08/08/51/645080851.db2.gz TUTYTVGQBKQFOE-HNNXBMFYSA-N 1 0 284.350 2.281 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC[C@H]1CCCOC1 ZINC000858205689 645087193 /nfs/dbraw/zinc/08/71/93/645087193.db2.gz CSMGKSFOSZDMRC-GFCCVEGCSA-N 1 0 265.353 2.307 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@]23C[C@H]2COC3(C)C)cc1 ZINC000858229117 645093805 /nfs/dbraw/zinc/09/38/05/645093805.db2.gz PEXBZSSJQNRWIJ-XJKSGUPXSA-N 1 0 260.381 2.410 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCN(C)CC(F)F)cc1F ZINC000858336334 645124253 /nfs/dbraw/zinc/12/42/53/645124253.db2.gz DFNBJRUVVYYXJN-UHFFFAOYSA-N 1 0 289.345 2.178 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2ccnn2C)c(O)c1C ZINC000858435143 645158698 /nfs/dbraw/zinc/15/86/98/645158698.db2.gz XCFXLWMBDDBVHC-GXTWGEPZSA-N 1 0 289.379 2.127 20 10 CECDRO CC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000858494148 645180719 /nfs/dbraw/zinc/18/07/19/645180719.db2.gz DNXOKBLKLVXGQE-PEXQALLHSA-N 1 0 282.771 2.350 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2COCCN2C)c1O ZINC000858523786 645190942 /nfs/dbraw/zinc/19/09/42/645190942.db2.gz UYDFZGJFTHPRIQ-WCQYABFASA-N 1 0 298.814 2.335 20 10 CECDRO CC[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(Cl)ccc1O ZINC000858602388 645218316 /nfs/dbraw/zinc/21/83/16/645218316.db2.gz XZDGYTDVTUEYTG-GXTWGEPZSA-N 1 0 298.814 2.153 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+](C)C2CC(O)C2)c1O ZINC000761223423 645259601 /nfs/dbraw/zinc/25/96/01/645259601.db2.gz QWYWGZXSRJMOEB-UHFFFAOYSA-N 1 0 255.745 2.309 20 10 CECDRO COC(=O)CCCC[N@H+](C)Cc1ccccc1O ZINC000859189928 645408899 /nfs/dbraw/zinc/40/88/99/645408899.db2.gz YLXKXVIEDNWXQY-UHFFFAOYSA-N 1 0 251.326 2.167 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccc(N(C)C)cc1 ZINC000859258667 645439335 /nfs/dbraw/zinc/43/93/35/645439335.db2.gz RQQDEWCUATYQEY-CJNGLKHVSA-N 1 0 292.423 2.069 20 10 CECDRO CCOc1ccc(C[NH+]2CCC(C)(CO)CC2)c(O)c1 ZINC000762791865 645452221 /nfs/dbraw/zinc/45/22/21/645452221.db2.gz YVSINFNFFCPVMV-UHFFFAOYSA-N 1 0 279.380 2.385 20 10 CECDRO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000765716357 645801452 /nfs/dbraw/zinc/80/14/52/645801452.db2.gz GMLNRBPVUYPTCX-OAHLLOKOSA-N 1 0 299.374 2.041 20 10 CECDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000765796555 645810856 /nfs/dbraw/zinc/81/08/56/645810856.db2.gz OJPDYWQJHXJIJM-CABZTGNLSA-N 1 0 282.771 2.050 20 10 CECDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441713 646122464 /nfs/dbraw/zinc/12/24/64/646122464.db2.gz GPDILEMOADUJQJ-DZGCQCFKSA-N 1 0 277.364 2.438 20 10 CECDRO CCC[N@H+](CC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768444568 646123766 /nfs/dbraw/zinc/12/37/66/646123766.db2.gz MIDWOCUIQGQWDO-ZDUSSCGKSA-N 1 0 251.326 2.050 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768444583 646124024 /nfs/dbraw/zinc/12/40/24/646124024.db2.gz MNJANGOANKXSCW-IAQYHMDHSA-N 1 0 277.364 2.440 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCCOCC1)CCCC2 ZINC000768443105 646124057 /nfs/dbraw/zinc/12/40/57/646124057.db2.gz AOSCCBBPLIEHRH-UHFFFAOYSA-N 1 0 261.365 2.493 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCS1 ZINC000768465617 646128084 /nfs/dbraw/zinc/12/80/84/646128084.db2.gz JCRAVYHGFYBPGT-BXUZGUMPSA-N 1 0 295.404 2.145 20 10 CECDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464965 646128110 /nfs/dbraw/zinc/12/81/10/646128110.db2.gz CYFPAXZRQTYXBI-IXPVHAAZSA-N 1 0 277.364 2.438 20 10 CECDRO CC[N@@H+](Cc1cccc(OC)c1O)C[C@@H]1CCOC1 ZINC000768522102 646134762 /nfs/dbraw/zinc/13/47/62/646134762.db2.gz YPRMLNZOHCJMIM-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO CC[N@@H+](Cc1c(O)cccc1OC)C[C@H]1CCCO1 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COc1cccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c1O ZINC000770285342 646376906 /nfs/dbraw/zinc/37/69/06/646376906.db2.gz GBFWIYHXBKYFCY-UONOGXRCSA-N 1 0 277.364 2.402 20 10 CECDRO OCC[C@H]1CSCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000770304217 646378733 /nfs/dbraw/zinc/37/87/33/646378733.db2.gz KYJSWWKEFGDLOW-JTQLQIEISA-N 1 0 287.812 2.345 20 10 CECDRO CCOCCO[C@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000770383153 646384937 /nfs/dbraw/zinc/38/49/37/646384937.db2.gz CHICRUVDXXCTAZ-ZDUSSCGKSA-N 1 0 295.379 2.028 20 10 CECDRO C[N@H+](CCCCO)Cc1c(O)cccc1Br ZINC000862339463 646404589 /nfs/dbraw/zinc/40/45/89/646404589.db2.gz VCODBWJKRZWSCV-UHFFFAOYSA-N 1 0 288.185 2.359 20 10 CECDRO C[C@@H]1C[NH+](Cc2cc(F)c(N(C)C)cc2F)C[C@@H](C)C1O ZINC000862414110 646449659 /nfs/dbraw/zinc/44/96/59/646449659.db2.gz MNQNGQCAOWZMIP-GHMZBOCLSA-N 1 0 298.377 2.480 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1F ZINC000862529242 646484599 /nfs/dbraw/zinc/48/45/99/646484599.db2.gz QIIADTRYIRHLNA-WMLDXEAASA-N 1 0 292.398 2.486 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QAYXRFAVTWUHGE-DGCLKSJQSA-N 1 0 265.353 2.400 20 10 CECDRO CCC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267117589 803140933 /nfs/dbraw/zinc/14/09/33/803140933.db2.gz UMIIKQREOFJPQG-CYBMUJFWSA-N 1 0 278.396 2.398 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c1O ZINC001140747474 803513494 /nfs/dbraw/zinc/51/34/94/803513494.db2.gz AXXQQDGBVVVOQH-LLVKDONJSA-N 1 0 283.368 2.436 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](CCO)C2)c1O ZINC001140748788 803514343 /nfs/dbraw/zinc/51/43/43/803514343.db2.gz JZNWAVHSNXIISZ-LBPRGKRZSA-N 1 0 265.353 2.001 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC001141158646 803760761 /nfs/dbraw/zinc/76/07/61/803760761.db2.gz IFYFPHCZOGOJBL-LBPRGKRZSA-N 1 0 270.332 2.482 20 10 CECDRO c1cc(C[NH2+][C@H]2CCCC23OCCO3)cc2c1OCC2 ZINC000715636767 814979445 /nfs/dbraw/zinc/97/94/45/814979445.db2.gz VCJAXBKDHJVLIU-HNNXBMFYSA-N 1 0 275.348 2.007 20 10 CECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccns1 ZINC000715930036 815007427 /nfs/dbraw/zinc/00/74/27/815007427.db2.gz GJTJPDTWVBLXGD-MRVPVSSYSA-N 1 0 278.333 2.428 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167893332 804583584 /nfs/dbraw/zinc/58/35/84/804583584.db2.gz GFUBLHIZVBSCSA-ZSHCYNCHSA-N 1 0 272.392 2.411 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CCCF)cc1C ZINC001268658937 804914462 /nfs/dbraw/zinc/91/44/62/804914462.db2.gz ICFXHCQQQOZYDL-CYBMUJFWSA-N 1 0 296.386 2.348 20 10 CECDRO C[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1O ZINC000716758432 815145894 /nfs/dbraw/zinc/14/58/94/815145894.db2.gz MJAVYJKQWFODHR-AAEUAGOBSA-N 1 0 274.364 2.054 20 10 CECDRO CN1CC[C@@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC001272636962 807837781 /nfs/dbraw/zinc/83/77/81/807837781.db2.gz HYICZPFSIVMEBK-HNNXBMFYSA-N 1 0 294.782 2.100 20 10 CECDRO [NH3+][C@@H]1CCN(Cc2cc(F)c(Cl)cc2O)CC[C@H]1F ZINC001206197118 815638261 /nfs/dbraw/zinc/63/82/61/815638261.db2.gz GETTVOPRFWTRSD-ZYHUDNBSSA-N 1 0 290.741 2.446 20 10 CECDRO [NH3+][C@H]1CCN(Cc2cc(F)c(Cl)cc2O)CC[C@H]1F ZINC001206197115 815638888 /nfs/dbraw/zinc/63/88/88/815638888.db2.gz GETTVOPRFWTRSD-PWSUYJOCSA-N 1 0 290.741 2.446 20 10 CECDRO Oc1ccccc1C[NH+]1CCN(CCc2ccccn2)CC1 ZINC001203556739 808700885 /nfs/dbraw/zinc/70/08/85/808700885.db2.gz VSOLISILMQYFDD-UHFFFAOYSA-N 1 0 297.402 2.148 20 10 CECDRO [NH3+][C@H]1CN(Cc2cc(F)c(Cl)cc2O)CC(F)(F)C1 ZINC001206145870 815234363 /nfs/dbraw/zinc/23/43/63/815234363.db2.gz KTCGWWFAVNWMDY-MRVPVSSYSA-N 1 0 294.704 2.353 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C2CC(CC(N)=O)C2)cc1 ZINC000922509706 809162143 /nfs/dbraw/zinc/16/21/43/809162143.db2.gz AXGCLQZRWDPARG-UHFFFAOYSA-N 1 0 289.423 2.276 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CC[C@@H]1CC1(F)F)OCO2 ZINC000701950898 809478530 /nfs/dbraw/zinc/47/85/30/809478530.db2.gz LHGLLRBHTUFSKR-SECBINFHSA-N 1 0 271.263 2.256 20 10 CECDRO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000704370987 809730932 /nfs/dbraw/zinc/73/09/32/809730932.db2.gz JFLJFPXRXNYNAY-WFASDCNBSA-N 1 0 275.396 2.024 20 10 CECDRO C[C@@H]([NH2+]CCOCCF)c1ccc(N(C)C)cc1 ZINC000705781261 809789700 /nfs/dbraw/zinc/78/97/00/809789700.db2.gz RZZLXHGSQBHMBM-GFCCVEGCSA-N 1 0 254.349 2.389 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCN2C(=O)CC[C@H]2C1)c1ccccc1O ZINC001172157998 815323437 /nfs/dbraw/zinc/32/34/37/815323437.db2.gz BIDDXRQBMDGASI-AGIUHOORSA-N 1 0 274.364 2.196 20 10 CECDRO CO[C@H](C)C[NH2+]Cc1c(O)cccc1Br ZINC000706846428 809857678 /nfs/dbraw/zinc/85/76/78/809857678.db2.gz ICIPTIRILCNQQB-MRVPVSSYSA-N 1 0 274.158 2.279 20 10 CECDRO CC[NH+]1CCN(Cc2c(O)cccc2Br)CC1 ZINC000707154080 809886013 /nfs/dbraw/zinc/88/60/13/809886013.db2.gz DCPWOVUFJOBUGO-UHFFFAOYSA-N 1 0 299.212 2.292 20 10 CECDRO COc1ccc(O)c(C[NH2+]C2CC(SC)C2)c1 ZINC000708316200 809925953 /nfs/dbraw/zinc/92/59/53/809925953.db2.gz KFMOUDPBRCNHQL-UHFFFAOYSA-N 1 0 253.367 2.384 20 10 CECDRO CCOc1cccc(CN2CCCCC[C@@H]([NH3+])C2)c1O ZINC000708995418 809939992 /nfs/dbraw/zinc/93/99/92/809939992.db2.gz DZNKWHJCTFVMSB-CQSZACIVSA-N 1 0 278.396 2.494 20 10 CECDRO Cc1ccc(O)c(CN2CCc3sc(C[NH3+])nc3C2)c1 ZINC000710190395 809984142 /nfs/dbraw/zinc/98/41/42/809984142.db2.gz TZRIICRDPRQITG-UHFFFAOYSA-N 1 0 289.404 2.174 20 10 CECDRO [NH3+][C@H]1CCN(c2cc(F)c(OC(F)(F)F)c(F)c2)C1 ZINC001164282600 810338245 /nfs/dbraw/zinc/33/82/45/810338245.db2.gz YWTKPFQQHRTJOY-LURJTMIESA-N 1 0 282.212 2.401 20 10 CECDRO CCOc1ccccc1N(C)C(=O)C1=CCC[NH2+]CC1 ZINC001121979464 815373240 /nfs/dbraw/zinc/37/32/40/815373240.db2.gz XDZTWTQQBGDXBG-UHFFFAOYSA-N 1 0 274.364 2.358 20 10 CECDRO CC(C)C[C@@](C)(C[NH3+])C(=O)NCc1ccccc1O ZINC001122026975 815378757 /nfs/dbraw/zinc/37/87/57/815378757.db2.gz GZOFINPKRHRPFM-HNNXBMFYSA-N 1 0 264.369 2.020 20 10 CECDRO CC[NH+](CC)CC[C@H](C)NC(=O)NCc1ccccc1O ZINC001122445732 815412447 /nfs/dbraw/zinc/41/24/47/815412447.db2.gz YYTIKZKUWBYUTM-ZDUSSCGKSA-N 1 0 293.411 2.312 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)c2nnc(C)[nH]2)c1O ZINC000691460811 811860154 /nfs/dbraw/zinc/86/01/54/811860154.db2.gz SJAXWKQHJUOKDQ-VIFPVBQESA-N 1 0 260.341 2.232 20 10 CECDRO Cc1cc(NCc2ccc(O)c(O)c2)nc2c1C[NH2+]CC2 ZINC001169993387 811860680 /nfs/dbraw/zinc/86/06/80/811860680.db2.gz NIQJXRHATIRJFW-UHFFFAOYSA-N 1 0 285.347 2.059 20 10 CECDRO CCc1cccc(C[NH2+]CC2([S@@](C)=O)CCC2)c1O ZINC000691465404 811899243 /nfs/dbraw/zinc/89/92/43/811899243.db2.gz LEDRKEHLXBZDGW-LJQANCHMSA-N 1 0 281.421 2.345 20 10 CECDRO C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1C)c1ccccc1O ZINC001123746855 815551691 /nfs/dbraw/zinc/55/16/91/815551691.db2.gz NAFHYKFROSFPIO-CHWSQXEVSA-N 1 0 291.395 2.237 20 10 CECDRO COCC(COC)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000388509839 813239443 /nfs/dbraw/zinc/23/94/43/813239443.db2.gz QKLHJSDKAYPKBC-GFCCVEGCSA-N 1 0 266.385 2.065 20 10 CECDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000389066130 813247193 /nfs/dbraw/zinc/24/71/93/813247193.db2.gz USHGSASJALYAHH-CZUORRHYSA-N 1 0 260.381 2.411 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)C(C)C)c1O ZINC000394028360 813334603 /nfs/dbraw/zinc/33/46/03/813334603.db2.gz DHAMBUIBEWJZKC-NSHDSACASA-N 1 0 287.787 2.408 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@H](C)O2)c1 ZINC000398118634 813656690 /nfs/dbraw/zinc/65/66/90/813656690.db2.gz ADXOPCLWVNDLCV-GWCFXTLKSA-N 1 0 251.326 2.058 20 10 CECDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000398572648 813677427 /nfs/dbraw/zinc/67/74/27/813677427.db2.gz MDZBRNYBFSBXDH-KRWDZBQOSA-N 1 0 292.423 2.020 20 10 CECDRO c1cc(N2CCCC2)ccc1CN[C@@H]1CCC[NH2+]C1 ZINC001246173434 813718225 /nfs/dbraw/zinc/71/82/25/813718225.db2.gz HBLPUJGYGHIDPX-OAHLLOKOSA-N 1 0 259.397 2.128 20 10 CECDRO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000825006108 813810282 /nfs/dbraw/zinc/81/02/82/813810282.db2.gz YDRYLIJAONSXJA-LLVKDONJSA-N 1 0 275.352 2.468 20 10 CECDRO C[C@H]1CCCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500494 814091467 /nfs/dbraw/zinc/09/14/67/814091467.db2.gz VAQCRJXWWZJAFJ-JTQLQIEISA-N 1 0 251.326 2.425 20 10 CECDRO C[C@@]1(F)CCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144503809 814092361 /nfs/dbraw/zinc/09/23/61/814092361.db2.gz DMNFHUNPQBLMJY-CYBMUJFWSA-N 1 0 255.289 2.127 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccccc1O ZINC000694778786 814636098 /nfs/dbraw/zinc/63/60/98/814636098.db2.gz YIOUTEFJQHGMPY-NEPJUHHUSA-N 1 0 283.393 2.010 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)cc1)C(=O)NC ZINC000697835688 814652874 /nfs/dbraw/zinc/65/28/74/814652874.db2.gz GKXZNWHULBJIRI-HNNXBMFYSA-N 1 0 277.412 2.147 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001116444086 814854089 /nfs/dbraw/zinc/85/40/89/814854089.db2.gz QDYJVIYBEUIIAG-IUODEOHRSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c1 ZINC000714352754 814897488 /nfs/dbraw/zinc/89/74/88/814897488.db2.gz UZIQUGDHTZXEKY-OLZOCXBDSA-N 1 0 297.420 2.319 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)c(O)c1 ZINC000714353661 814897568 /nfs/dbraw/zinc/89/75/68/814897568.db2.gz ZOCXKACUGWGOKB-CHWSQXEVSA-N 1 0 297.420 2.319 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c1 ZINC000714352756 814898048 /nfs/dbraw/zinc/89/80/48/814898048.db2.gz UZIQUGDHTZXEKY-STQMWFEESA-N 1 0 297.420 2.319 20 10 CECDRO O=c1[nH]cccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000714954087 814923237 /nfs/dbraw/zinc/92/32/37/814923237.db2.gz LODCJVJTNKQYSD-UHFFFAOYSA-N 1 0 256.305 2.012 20 10 CECDRO CCSC[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001173294415 815653895 /nfs/dbraw/zinc/65/38/95/815653895.db2.gz IFEHKACDVVYROS-SECBINFHSA-N 1 0 269.366 2.012 20 10 CECDRO CC[NH+](CC)CCN(C)Cc1c(O)cccc1F ZINC001137832067 815690985 /nfs/dbraw/zinc/69/09/85/815690985.db2.gz ZIZNOZBCSIUZMD-UHFFFAOYSA-N 1 0 254.349 2.305 20 10 CECDRO CN1CCCc2cc(C[N@H+](C)[C@@H]3CCOC3)ccc21 ZINC001138358776 815775111 /nfs/dbraw/zinc/77/51/11/815775111.db2.gz ZNKNQZHOFDBTCP-OAHLLOKOSA-N 1 0 260.381 2.290 20 10 CECDRO COC(=O)CC1C[NH+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138357769 815775334 /nfs/dbraw/zinc/77/53/34/815775334.db2.gz JRKSMBCZITWZOE-UHFFFAOYSA-N 1 0 288.391 2.064 20 10 CECDRO COc1ccc(N2CC[NH+](Cc3ncccc3O)CC2)cc1 ZINC001138391783 815786106 /nfs/dbraw/zinc/78/61/06/815786106.db2.gz YAQKZSVMJJOZHP-UHFFFAOYSA-N 1 0 299.374 2.118 20 10 CECDRO Cc1cc(C[N@H+](C)[C@H]2CCN(C)C2)ccc1N(C)C ZINC001139672801 816075508 /nfs/dbraw/zinc/07/55/08/816075508.db2.gz GIVINCXLRJOFJW-HNNXBMFYSA-N 1 0 261.413 2.197 20 10 CECDRO CCCC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140055874 816179525 /nfs/dbraw/zinc/17/95/25/816179525.db2.gz YYROKOSWGDCBRJ-UHFFFAOYSA-N 1 0 266.360 2.449 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2C[C@H](F)C[C@H](CO)C2)c1O ZINC001140178547 816204092 /nfs/dbraw/zinc/20/40/92/816204092.db2.gz OALMPUGQIAVFSH-QWHCGFSZSA-N 1 0 267.344 2.161 20 10 CECDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(C)ccc(C)c3O)C[C@@H]21 ZINC001140184033 816205937 /nfs/dbraw/zinc/20/59/37/816205937.db2.gz KRHZIAKIZLBEPP-FICVDOATSA-N 1 0 289.375 2.250 20 10 CECDRO Cc1ccc(C)c(C[N@H+](C)Cc2ccncn2)c1O ZINC001140184997 816207363 /nfs/dbraw/zinc/20/73/63/816207363.db2.gz NSAYQCUXEGAGEC-UHFFFAOYSA-N 1 0 257.337 2.431 20 10 CECDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2c(C)ccc(C)c2O)C1 ZINC001140185365 816207573 /nfs/dbraw/zinc/20/75/73/816207573.db2.gz UDEIBXBLGPLRCH-HNNXBMFYSA-N 1 0 290.407 2.452 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CC(N3CCC(F)CC3)C2)c1 ZINC001140623422 816306141 /nfs/dbraw/zinc/30/61/41/816306141.db2.gz RNSDEWHUFWXOBU-UHFFFAOYSA-N 1 0 278.371 2.319 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCN(c3nccc(C)n3)CC2)c1 ZINC001140624451 816308782 /nfs/dbraw/zinc/30/87/82/816308782.db2.gz XECVBDSECBZXQD-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO CC[NH+](CC)CCN(C)Cc1ccc(O)c(C)c1O ZINC001140742032 816338626 /nfs/dbraw/zinc/33/86/26/816338626.db2.gz HQAQROOKJGOXBA-UHFFFAOYSA-N 1 0 266.385 2.180 20 10 CECDRO Cc1c(O)ccc(C[N@H+](C)CCc2ccccn2)c1O ZINC001140742370 816339315 /nfs/dbraw/zinc/33/93/15/816339315.db2.gz LWRQWBXCRSXNMH-UHFFFAOYSA-N 1 0 272.348 2.476 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140743999 816339553 /nfs/dbraw/zinc/33/95/53/816339553.db2.gz HNYNTJSCYKVZFV-ZWNOBZJWSA-N 1 0 293.363 2.180 20 10 CECDRO Cc1c(O)ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC001140747975 816341588 /nfs/dbraw/zinc/34/15/88/816341588.db2.gz PVJURACRISOIMW-KGLIPLIRSA-N 1 0 276.380 2.075 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)c1O ZINC001140748018 816341963 /nfs/dbraw/zinc/34/19/63/816341963.db2.gz RHKRKEJCZWKJNY-CQSZACIVSA-N 1 0 265.353 2.263 20 10 CECDRO Cc1c(O)ccc(C[N@@H+](C)[C@@H]2CCCOC2)c1O ZINC001140749548 816343877 /nfs/dbraw/zinc/34/38/77/816343877.db2.gz DKODQTWQZPNALW-GFCCVEGCSA-N 1 0 251.326 2.017 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](CO)C2)c(O)c1 ZINC001140851507 816382213 /nfs/dbraw/zinc/38/22/13/816382213.db2.gz KELYSOARBMPCLK-AWEZNQCLSA-N 1 0 292.423 2.443 20 10 CECDRO CCN(CC)c1ccc(C[NH+]2CC(C)(CO)C2)c(O)c1 ZINC001140850178 816383243 /nfs/dbraw/zinc/38/32/43/816383243.db2.gz FXVGEPKSVSRNLZ-UHFFFAOYSA-N 1 0 278.396 2.053 20 10 CECDRO CCN(CC)c1ccc(C[NH+]2CCC(O)CC2)c(O)c1 ZINC001140851501 816383736 /nfs/dbraw/zinc/38/37/36/816383736.db2.gz JWKKHSMLUCRLKN-UHFFFAOYSA-N 1 0 278.396 2.195 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCN3CC[C@@H]3C2)c(O)c1 ZINC001140856834 816384587 /nfs/dbraw/zinc/38/45/87/816384587.db2.gz OAOKJNWDNJFXIJ-MRXNPFEDSA-N 1 0 289.423 2.128 20 10 CECDRO COc1ccc(N2CCN(Cc3cnco3)CC2)c(C)c1 ZINC001140933345 816415832 /nfs/dbraw/zinc/41/58/32/816415832.db2.gz SZJUHNOZJUSIMK-UHFFFAOYSA-N 1 0 287.363 2.314 20 10 CECDRO Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c(O)c1 ZINC001140954071 816424409 /nfs/dbraw/zinc/42/44/09/816424409.db2.gz KQCUYPDIZXMPHZ-DZGCQCFKSA-N 1 0 288.391 2.143 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)CC1 ZINC001140954470 816424498 /nfs/dbraw/zinc/42/44/98/816424498.db2.gz SWUMQMCCRCZEJI-CYBMUJFWSA-N 1 0 277.364 2.476 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC3(CC3)C2)c(OC)c1 ZINC001141026454 816449253 /nfs/dbraw/zinc/44/92/53/816449253.db2.gz QXAULCULSSEEAI-UHFFFAOYSA-N 1 0 263.337 2.395 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CO)CC2)c(OC)c1 ZINC001141032116 816453160 /nfs/dbraw/zinc/45/31/60/816453160.db2.gz SZENDXLGUBEUCT-LBPRGKRZSA-N 1 0 295.379 2.004 20 10 CECDRO CN(Cc1cc2c3c(c1)CCCN3CCC2)C1COC1 ZINC001141075890 816471423 /nfs/dbraw/zinc/47/14/23/816471423.db2.gz FKQNATKTJJECMB-UHFFFAOYSA-N 1 0 272.392 2.216 20 10 CECDRO c1c(CN2CCO[C@@H]3C[C@@H]32)cc2c3c1CCCN3CCC2 ZINC001141077852 816471654 /nfs/dbraw/zinc/47/16/54/816471654.db2.gz CKELBMLKOAFBNR-DLBZAZTESA-N 1 0 284.403 2.359 20 10 CECDRO CN1CCOc2cc(CN3CCC[C@@H]([NH+](C)C)C3)ccc21 ZINC001141143361 816485579 /nfs/dbraw/zinc/48/55/79/816485579.db2.gz VZXLBVCBKHHBFA-OAHLLOKOSA-N 1 0 289.423 2.041 20 10 CECDRO CCOc1cccc(C[NH+]2CC(C)(COC)C2)c1O ZINC000839144970 816563804 /nfs/dbraw/zinc/56/38/04/816563804.db2.gz FFHCJTQMFVHYBV-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCOC2)cc1F ZINC001177548871 816582699 /nfs/dbraw/zinc/58/26/99/816582699.db2.gz VLCAATFQSNDRKM-CYBMUJFWSA-N 1 0 266.360 2.408 20 10 CECDRO CN1CC2(C1)C[NH+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143117151 816787913 /nfs/dbraw/zinc/78/79/13/816787913.db2.gz VLIOLYQPQXEVMZ-UHFFFAOYSA-N 1 0 274.408 2.437 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[NH+](CC)CC ZINC000063683499 343681015 /nfs/dbraw/zinc/68/10/15/343681015.db2.gz ZPFLBTHXTCOCJN-UHFFFAOYSA-N 1 0 291.439 2.443 20 10 CECDRO C[C@H]([NH3+])C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166470546 344476300 /nfs/dbraw/zinc/47/63/00/344476300.db2.gz RERFLIOPZIZFEJ-ZDUSSCGKSA-N 1 0 289.423 2.419 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@](C)(CC)CCO)c1 ZINC000134471232 366327746 /nfs/dbraw/zinc/32/77/46/366327746.db2.gz BIEPIEZOTZWFGF-HNNXBMFYSA-N 1 0 267.369 2.432 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@](C)(CC)CCO)c1 ZINC000134471253 366327880 /nfs/dbraw/zinc/32/78/80/366327880.db2.gz BIEPIEZOTZWFGF-OAHLLOKOSA-N 1 0 267.369 2.432 20 10 CECDRO C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(N(C)C)cc1 ZINC000282390092 299285410 /nfs/dbraw/zinc/28/54/10/299285410.db2.gz RDBCQVOEJZYBHV-BUXKBTBVSA-N 1 0 280.437 2.314 20 10 CECDRO CCN(CC)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000019919480 361567047 /nfs/dbraw/zinc/56/70/47/361567047.db2.gz TZECVXSRSGFAKP-GFCCVEGCSA-N 1 0 266.385 2.393 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000091855630 364073821 /nfs/dbraw/zinc/07/38/21/364073821.db2.gz QHLHAPBHPGJOGN-HOTGVXAUSA-N 1 0 292.448 2.459 20 10 CECDRO C[N@H+](CC(=O)NCCC(C)(C)C)Cc1ccccc1O ZINC000111235600 364724450 /nfs/dbraw/zinc/72/44/50/364724450.db2.gz CNIQCEKWNFTBFD-UHFFFAOYSA-N 1 0 278.396 2.376 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)CCOC)c1O ZINC000112018226 364769311 /nfs/dbraw/zinc/76/93/11/364769311.db2.gz IDAVTXABASAIRT-LLVKDONJSA-N 1 0 253.342 2.306 20 10 CECDRO CN(C)C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCC1 ZINC000112016939 364769674 /nfs/dbraw/zinc/76/96/74/364769674.db2.gz WBZYVAPMEJBICV-UHFFFAOYSA-N 1 0 292.379 2.085 20 10 CECDRO COCCN1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113328763 364889448 /nfs/dbraw/zinc/88/94/48/364889448.db2.gz HPGPXSSBEALMML-UHFFFAOYSA-N 1 0 298.814 2.246 20 10 CECDRO C[N@H+](Cc1ccccc1O)[C@H]1Cc2ccccc2[C@H]1O ZINC000245868980 370882581 /nfs/dbraw/zinc/88/25/81/370882581.db2.gz RBSQWFADHBJVNR-DOTOQJQBSA-N 1 0 269.344 2.482 20 10 CECDRO C[N@H+](Cc1cc(F)ccc1O)CC1(O)CCCC1 ZINC000180172721 368370045 /nfs/dbraw/zinc/37/00/45/368370045.db2.gz OKRRPDHDAQXBGN-UHFFFAOYSA-N 1 0 253.317 2.268 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(O)C2)cc1 ZINC000180199428 368371468 /nfs/dbraw/zinc/37/14/68/368371468.db2.gz JFIHHJOOMYJGFE-INIZCTEOSA-N 1 0 262.397 2.490 20 10 CECDRO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000179631486 368344298 /nfs/dbraw/zinc/34/42/98/368344298.db2.gz BTELBUGPAZDWSO-CYBMUJFWSA-N 1 0 263.337 2.228 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2CC(=O)OC)c1 ZINC000179895483 368357404 /nfs/dbraw/zinc/35/74/04/368357404.db2.gz LOLMQXYCROKZRG-ZDUSSCGKSA-N 1 0 293.363 2.318 20 10 CECDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000179981392 368361698 /nfs/dbraw/zinc/36/16/98/368361698.db2.gz IISKKMNJWMIFSX-LLVKDONJSA-N 1 0 281.327 2.306 20 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CECDRO C[C@H]1Cc2ccccc2N(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637982237 370215565 /nfs/dbraw/zinc/21/55/65/370215565.db2.gz BGAQXGWGDQYMIH-FZMZJTMJSA-N 1 0 256.349 2.259 20 10 CECDRO COc1cccc(C[NH2+]Cc2cccc(CO)c2)c1O ZINC000222110789 370250621 /nfs/dbraw/zinc/25/06/21/370250621.db2.gz PQOMVWQNOIXOET-UHFFFAOYSA-N 1 0 273.332 2.183 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCSCC2)c1 ZINC000223740302 370270315 /nfs/dbraw/zinc/27/03/15/370270315.db2.gz WGSCDTLVVLWRDX-GFCCVEGCSA-N 1 0 296.436 2.100 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000226953522 370354877 /nfs/dbraw/zinc/35/48/77/370354877.db2.gz JNEORTWVXLJAGK-LBPRGKRZSA-N 1 0 286.169 2.015 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000226610895 370349465 /nfs/dbraw/zinc/34/94/65/370349465.db2.gz INRNHCALACEULP-GXFFZTMASA-N 1 0 253.317 2.172 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC3(C1)CCOCC3)OCO2 ZINC000266476390 372048198 /nfs/dbraw/zinc/04/81/98/372048198.db2.gz UGYZUGVIJRQMFR-UHFFFAOYSA-N 1 0 291.347 2.123 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2ccn(C)c2)c1 ZINC000267068358 372055697 /nfs/dbraw/zinc/05/56/97/372055697.db2.gz IDGICORUYMCLQC-UHFFFAOYSA-N 1 0 260.337 2.419 20 10 CECDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000267153221 372057733 /nfs/dbraw/zinc/05/77/33/372057733.db2.gz NCQWUVWQZNOKRX-ZDUSSCGKSA-N 1 0 250.386 2.345 20 10 CECDRO CC[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[NH+](C)C ZINC000268831570 372244946 /nfs/dbraw/zinc/24/49/46/372244946.db2.gz WPKHNTVBAWAVGU-HNNXBMFYSA-N 1 0 289.423 2.025 20 10 CECDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000270720323 372918745 /nfs/dbraw/zinc/91/87/45/372918745.db2.gz NZWGISVOJMMDAR-JTQLQIEISA-N 1 0 254.349 2.141 20 10 CECDRO c1cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc2c1OCC2 ZINC000367424000 373150719 /nfs/dbraw/zinc/15/07/19/373150719.db2.gz YFRGQFXHTSSFBZ-RDJZCZTQSA-N 1 0 289.375 2.049 20 10 CECDRO CN1CCc2cc(C[NH2+]Cc3c[nH]c4nccnc34)ccc21 ZINC000368116470 373219987 /nfs/dbraw/zinc/21/99/87/373219987.db2.gz UOCFKBWNEKWCAM-UHFFFAOYSA-N 1 0 293.374 2.192 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CCCSC2)cc1OC ZINC000271804219 373202870 /nfs/dbraw/zinc/20/28/70/373202870.db2.gz JMPZCQYAYOUKEX-LLVKDONJSA-N 1 0 283.393 2.395 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](O)C(F)(F)F ZINC000271876156 373204650 /nfs/dbraw/zinc/20/46/50/373204650.db2.gz ZLKYJIRESIGLRT-CMPLNLGQSA-N 1 0 293.285 2.192 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000272242694 373380511 /nfs/dbraw/zinc/38/05/11/373380511.db2.gz AWDAFGNSUGVBEV-GFCCVEGCSA-N 1 0 261.300 2.422 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000272564347 373553324 /nfs/dbraw/zinc/55/33/24/373553324.db2.gz ODCVRBGZTMXTLB-LLVKDONJSA-N 1 0 273.384 2.072 20 10 CECDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2O)[nH]1 ZINC000272766114 373649431 /nfs/dbraw/zinc/64/94/31/373649431.db2.gz RHHCVYXCNWDWOZ-UHFFFAOYSA-N 1 0 274.320 2.139 20 10 CECDRO C[C@@H]([NH2+]Cc1nncn1C)c1cc2c(cc1O)CCCC2 ZINC000273368732 373754059 /nfs/dbraw/zinc/75/40/59/373754059.db2.gz FOHIBUOOFPWELT-LLVKDONJSA-N 1 0 286.379 2.250 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2cc(Cl)ccc2O)n1 ZINC000273499058 373760121 /nfs/dbraw/zinc/76/01/21/373760121.db2.gz YKGORZBAHYYAPQ-MRVPVSSYSA-N 1 0 280.759 2.365 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273520450 373762080 /nfs/dbraw/zinc/76/20/80/373762080.db2.gz UAZZDMWTMZWWFD-STQMWFEESA-N 1 0 276.380 2.361 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273520448 373762543 /nfs/dbraw/zinc/76/25/43/373762543.db2.gz UAZZDMWTMZWWFD-QWHCGFSZSA-N 1 0 276.380 2.361 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000273552436 373765079 /nfs/dbraw/zinc/76/50/79/373765079.db2.gz GDFJRVAODNKBNY-HZMBPMFUSA-N 1 0 267.369 2.458 20 10 CECDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000273604696 373767324 /nfs/dbraw/zinc/76/73/24/373767324.db2.gz SVOUTIAQPNFXPD-ZIAGYGMSSA-N 1 0 278.396 2.072 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc1 ZINC000371489303 373901031 /nfs/dbraw/zinc/90/10/31/373901031.db2.gz OGRCSAHKSDTKAO-WBVHZDCISA-N 1 0 273.424 2.279 20 10 CECDRO Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C)[C@H]3C2)c1O ZINC000371554991 373919465 /nfs/dbraw/zinc/91/94/65/373919465.db2.gz RWUYQOXBVNBOCM-ZFWWWQNUSA-N 1 0 260.381 2.227 20 10 CECDRO C[NH+](C)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000277406894 374508176 /nfs/dbraw/zinc/50/81/76/374508176.db2.gz IBUVLFCVACRFQW-CYBMUJFWSA-N 1 0 292.379 2.037 20 10 CECDRO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1O ZINC000374872749 374632872 /nfs/dbraw/zinc/63/28/72/374632872.db2.gz FHZMKZZZAMLHNW-INIZCTEOSA-N 1 0 296.370 2.065 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000375331408 374653497 /nfs/dbraw/zinc/65/34/97/374653497.db2.gz KDKIWVZTEUBBPM-MRXNPFEDSA-N 1 0 260.381 2.363 20 10 CECDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cccc(F)c3O)C[C@@H]21 ZINC000378488717 375114689 /nfs/dbraw/zinc/11/46/89/375114689.db2.gz BIFCYWKXWBFESD-RISCZKNCSA-N 1 0 264.344 2.057 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)cc1 ZINC000282650404 375539830 /nfs/dbraw/zinc/53/98/30/375539830.db2.gz HZUGZOCBGPNEHY-CHWSQXEVSA-N 1 0 295.402 2.268 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282984396 375629587 /nfs/dbraw/zinc/62/95/87/375629587.db2.gz ZVWRJXZTACDRNA-GOEBONIOSA-N 1 0 291.391 2.050 20 10 CECDRO C[C@@H](CO)[N@@H+](Cc1cc2c(cc1O)OCO2)CC1CCC1 ZINC000289345036 376393374 /nfs/dbraw/zinc/39/33/74/376393374.db2.gz IJTYYIOYBMLHRJ-NSHDSACASA-N 1 0 293.363 2.104 20 10 CECDRO Nc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000294764990 378018774 /nfs/dbraw/zinc/01/87/74/378018774.db2.gz MCDUTFQNRRBCEI-HONMWMINSA-N 1 0 259.353 2.128 20 10 CECDRO COc1cccc(C[NH2+]CCc2scnc2C)c1O ZINC000295062685 378038104 /nfs/dbraw/zinc/03/81/04/378038104.db2.gz QLMHDZFPGVZDSK-UHFFFAOYSA-N 1 0 278.377 2.498 20 10 CECDRO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000294817035 378021101 /nfs/dbraw/zinc/02/11/01/378021101.db2.gz ONXPXXXYXOCQCZ-ZDUSSCGKSA-N 1 0 296.342 2.194 20 10 CECDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295497263 378183991 /nfs/dbraw/zinc/18/39/91/378183991.db2.gz YBMINVIBHRSVAF-QMMMGPOBSA-N 1 0 289.734 2.426 20 10 CECDRO COCCn1cc(C[NH2+][C@H]2CCc3cccc(O)c32)cn1 ZINC000296367997 378506183 /nfs/dbraw/zinc/50/61/83/378506183.db2.gz IMWBYDVMGVEDPR-AWEZNQCLSA-N 1 0 287.363 2.012 20 10 CECDRO CCNC(=O)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000296452214 378537576 /nfs/dbraw/zinc/53/75/76/378537576.db2.gz NJGLFBJBPCLUBU-CYBMUJFWSA-N 1 0 288.391 2.276 20 10 CECDRO CC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000298168279 378694747 /nfs/dbraw/zinc/69/47/47/378694747.db2.gz QFTMVFVESPDKMR-UHFFFAOYSA-N 1 0 277.412 2.099 20 10 CECDRO CCOC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2O)CCO1 ZINC000529666381 380183097 /nfs/dbraw/zinc/18/30/97/380183097.db2.gz KFFAUCRSVUIGSN-HNNXBMFYSA-N 1 0 279.380 2.246 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CCc3nccn3C1)CC2 ZINC000296253521 285397570 /nfs/dbraw/zinc/39/75/70/285397570.db2.gz BJYHTYLRPFJZGU-GXTWGEPZSA-N 1 0 283.375 2.428 20 10 CECDRO COC(=O)CC[N@H+](Cc1cc(C)ccc1O)C(C)C ZINC000093384058 394666359 /nfs/dbraw/zinc/66/63/59/394666359.db2.gz QDSAETIJYSBXTC-UHFFFAOYSA-N 1 0 265.353 2.474 20 10 CECDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000093481988 394666936 /nfs/dbraw/zinc/66/69/36/394666936.db2.gz GBKHNOHONYHFIY-CZUORRHYSA-N 1 0 262.397 2.488 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H]2CCOC2)c1 ZINC000093840296 394668558 /nfs/dbraw/zinc/66/85/58/394668558.db2.gz GZHVBEFBSYBSTM-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO Cc1c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cnn1C ZINC000119907367 394772696 /nfs/dbraw/zinc/77/26/96/394772696.db2.gz DGXNJYCHCYYMSV-UHFFFAOYSA-N 1 0 272.396 2.427 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@]2(C)CCOC2)c1 ZINC000120159469 394776115 /nfs/dbraw/zinc/77/61/15/394776115.db2.gz MYTUKSVJHJJVMW-CQSZACIVSA-N 1 0 251.326 2.060 20 10 CECDRO CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000133627978 394954172 /nfs/dbraw/zinc/95/41/72/394954172.db2.gz WKGGRXJTFDGYAW-SNVBAGLBSA-N 1 0 274.158 2.015 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CN2CCCC[C@H]2CO1)c1ccccc1O ZINC000372933070 395050434 /nfs/dbraw/zinc/05/04/34/395050434.db2.gz YILLLNAQPXPUKV-SOUVJXGZSA-N 1 0 290.407 2.296 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000373177299 395056190 /nfs/dbraw/zinc/05/61/90/395056190.db2.gz ORKIJDKAKQBHAQ-HOCLYGCPSA-N 1 0 277.364 2.448 20 10 CECDRO COc1ccc(N2CCC([NH2+]C3(CO)CCC3)CC2)cc1 ZINC000373199133 395056935 /nfs/dbraw/zinc/05/69/35/395056935.db2.gz WKFKIXGKJBTADQ-UHFFFAOYSA-N 1 0 290.407 2.169 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1C ZINC000373318602 395058482 /nfs/dbraw/zinc/05/84/82/395058482.db2.gz MBVZYXGQJTYSKM-MRXNPFEDSA-N 1 0 261.365 2.356 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372493048 395042232 /nfs/dbraw/zinc/04/22/32/395042232.db2.gz UFTSUVWYZNMDJU-WMLDXEAASA-N 1 0 288.391 2.130 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1 ZINC000174640982 395126482 /nfs/dbraw/zinc/12/64/82/395126482.db2.gz PDEKCLQDQCQOBD-UHFFFAOYSA-N 1 0 285.409 2.004 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000178711805 395171886 /nfs/dbraw/zinc/17/18/86/395171886.db2.gz QPUFAUMGHFUXOT-INIZCTEOSA-N 1 0 289.423 2.291 20 10 CECDRO COc1cccc(C[NH2+]Cc2cnn(CC(F)F)c2)c1O ZINC000293848438 395253592 /nfs/dbraw/zinc/25/35/92/395253592.db2.gz HPINJDULGOTKPP-UHFFFAOYSA-N 1 0 297.305 2.152 20 10 CECDRO C[C@@H]1CN=C(N2CC[NH+](Cc3ccccc3O)CC2)S1 ZINC000179579990 395196572 /nfs/dbraw/zinc/19/65/72/395196572.db2.gz JHYRBPCEXMLIGX-GFCCVEGCSA-N 1 0 291.420 2.001 20 10 CECDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296436055 395320330 /nfs/dbraw/zinc/32/03/30/395320330.db2.gz MITBVVJTRXGBIJ-UMVBOHGHSA-N 1 0 293.407 2.127 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nnc3n2CCCC3)c1 ZINC000183847653 395264873 /nfs/dbraw/zinc/26/48/73/395264873.db2.gz IFGINLCENNUGIM-LBPRGKRZSA-N 1 0 286.379 2.479 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCN1CCCCC1)CC2 ZINC000296113951 296592943 /nfs/dbraw/zinc/59/29/43/296592943.db2.gz UZKDFYPBIZBMAP-AWEZNQCLSA-N 1 0 260.381 2.455 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1 ZINC000273562961 286339381 /nfs/dbraw/zinc/33/93/81/286339381.db2.gz IQKKBMWVZMSRST-NSHDSACASA-N 1 0 292.379 2.097 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297794711 286713252 /nfs/dbraw/zinc/71/32/52/286713252.db2.gz QBMMJPIAADOBRT-IRUJWGPZSA-N 1 0 267.394 2.082 20 10 CECDRO CN(C)C(C)(C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000020125837 171009071 /nfs/dbraw/zinc/00/90/71/171009071.db2.gz NEIDOCMWWIJWDT-UHFFFAOYSA-N 1 0 256.777 2.475 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCOC(C)(C)C2)cc1OC ZINC000367221714 228108784 /nfs/dbraw/zinc/10/87/84/228108784.db2.gz PSFBXFZJMVRDTL-UHFFFAOYSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cccc(C[NH2+]CC(C)(C)CCCO)c1O ZINC000221396104 419465534 /nfs/dbraw/zinc/46/55/34/419465534.db2.gz GSYIYUNLKVGGQI-UHFFFAOYSA-N 1 0 267.369 2.289 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)c(O)c1 ZINC000036932530 260052165 /nfs/dbraw/zinc/05/21/65/260052165.db2.gz MCRDXJBHDAOPEN-UONOGXRCSA-N 1 0 278.396 2.072 20 10 CECDRO c1ccc(CC[NH2+]Cc2ccc3c(c2)CCO3)nc1 ZINC000037362596 260095015 /nfs/dbraw/zinc/09/50/15/260095015.db2.gz KGUMFVBDTPYNTA-UHFFFAOYSA-N 1 0 254.333 2.349 20 10 CECDRO C[C@H](CCO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000151989929 261057883 /nfs/dbraw/zinc/05/78/83/261057883.db2.gz ICOHEOSWTODZBO-CHWSQXEVSA-N 1 0 296.386 2.084 20 10 CECDRO C[C@@H](C[NH2+]Cc1cc(Br)ccc1O)N(C)C ZINC000163888948 261333989 /nfs/dbraw/zinc/33/39/89/261333989.db2.gz PPNSKYLRDJPJBO-VIFPVBQESA-N 1 0 287.201 2.194 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCOCCO)cc1 ZINC000180244764 261849386 /nfs/dbraw/zinc/84/93/86/261849386.db2.gz YTYDAYJWGWZEBY-CQSZACIVSA-N 1 0 280.412 2.192 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@H](C[NH+](C)C)C2)c1O ZINC000184693380 262026234 /nfs/dbraw/zinc/02/62/34/262026234.db2.gz NQVLTMOVFFOIBU-LLVKDONJSA-N 1 0 298.814 2.438 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccnc(C)n3)CC2)c1 ZINC000184766388 262028975 /nfs/dbraw/zinc/02/89/75/262028975.db2.gz NVYZKFYMHJNXSI-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCCCCS(C)(=O)=O)cc1 ZINC000185213981 262045861 /nfs/dbraw/zinc/04/58/61/262045861.db2.gz HPGDMTWYWLCFKE-UHFFFAOYSA-N 1 0 298.452 2.057 20 10 CECDRO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1=O ZINC000186048841 262077528 /nfs/dbraw/zinc/07/75/28/262077528.db2.gz DXLLWGGYJQNATR-ZWNOBZJWSA-N 1 0 280.343 2.191 20 10 CECDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(O)c1O ZINC000276451266 263036785 /nfs/dbraw/zinc/03/67/85/263036785.db2.gz MPRNMLVXBJDTGM-UHFFFAOYSA-N 1 0 292.379 2.046 20 10 CECDRO COCC1(C[NH2+][C@H](C)c2ccccc2O)CCOCC1 ZINC000293865627 263151121 /nfs/dbraw/zinc/15/11/21/263151121.db2.gz YAHDDDKGEARCGU-CYBMUJFWSA-N 1 0 279.380 2.486 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000368028316 267137204 /nfs/dbraw/zinc/13/72/04/267137204.db2.gz CPLFLXXWTMOKAE-MRVWCRGKSA-N 1 0 293.363 2.106 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000368043499 267141051 /nfs/dbraw/zinc/14/10/51/267141051.db2.gz QBBRMMIKTAWDKT-NWDGAFQWSA-N 1 0 277.364 2.430 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCOC[C@@]12CCOC2 ZINC000370736813 267343173 /nfs/dbraw/zinc/34/31/73/267343173.db2.gz HCJLVHMEJJYBNH-HOCLYGCPSA-N 1 0 277.364 2.335 20 10 CECDRO CCOC(=O)CC[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373121163 267640299 /nfs/dbraw/zinc/64/02/99/267640299.db2.gz IEBSCJSZRIQBHK-UHFFFAOYSA-N 1 0 288.391 2.405 20 10 CECDRO COc1cc(O)c(C[N@H+]2CCC[C@@H](OC)CC2)cc1OC ZINC000377242722 268059050 /nfs/dbraw/zinc/05/90/50/268059050.db2.gz HVLUKYKDCAJXAE-CYBMUJFWSA-N 1 0 295.379 2.410 20 10 CECDRO CCN1CCC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296095299 276379603 /nfs/dbraw/zinc/37/96/03/276379603.db2.gz UBHLPRDTZSMVCI-KBPBESRZSA-N 1 0 260.381 2.453 20 10 CECDRO COc1ccc(N2CC[NH+](CC[C@H]3CCCO3)CC2)cc1 ZINC000188601245 277909220 /nfs/dbraw/zinc/90/92/20/277909220.db2.gz TZDKLRMNVCKYBQ-QGZVFWFLSA-N 1 0 290.407 2.386 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@@H](O)C(F)F ZINC000294927525 288080669 /nfs/dbraw/zinc/08/06/69/288080669.db2.gz BKGVJIQGWKBTEF-YDEJPDAXSA-N 1 0 289.322 2.456 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000264591446 279236699 /nfs/dbraw/zinc/23/66/99/279236699.db2.gz AVQGAWWUNSWFSW-INIZCTEOSA-N 1 0 289.423 2.195 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(Cl)cc1O ZINC000527956355 297767599 /nfs/dbraw/zinc/76/75/99/297767599.db2.gz VODYDTGBXCWSBH-QCZZGDTMSA-N 1 0 285.771 2.236 20 10 CECDRO CC[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccccc1O ZINC000287308378 328250647 /nfs/dbraw/zinc/25/06/47/328250647.db2.gz DWIWNAICPGEOSX-CQSZACIVSA-N 1 0 279.380 2.365 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@H](O)C2)c1O ZINC000187985373 328426651 /nfs/dbraw/zinc/42/66/51/328426651.db2.gz KNGNNEMKBUALRY-CABZTGNLSA-N 1 0 285.771 2.305 20 10 CECDRO Cc1cccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1O ZINC000377706849 329026261 /nfs/dbraw/zinc/02/62/61/329026261.db2.gz ZHRJAIVLNYIQDY-GJZGRUSLSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1cccc(C[NH2+]C2(CO)Cc3ccccc3C2)c1O ZINC000360058368 329070755 /nfs/dbraw/zinc/07/07/55/329070755.db2.gz MLZIHGUYAQCKKE-UHFFFAOYSA-N 1 0 283.371 2.320 20 10 CECDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(F)ccc3O)[C@@H]2C1 ZINC000180287390 329219319 /nfs/dbraw/zinc/21/93/19/329219319.db2.gz ZHQBDFUDNPYIQU-IIAWOOMASA-N 1 0 295.354 2.300 20 10 CECDRO O=C1Nc2ccccc2C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000527799105 330284035 /nfs/dbraw/zinc/28/40/35/330284035.db2.gz JWVCIJCMOSLILW-INIZCTEOSA-N 1 0 294.354 2.275 20 10 CECDRO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1ccccc1O ZINC000211568715 333091414 /nfs/dbraw/zinc/09/14/14/333091414.db2.gz CBSUAOHFZPUPPT-UKRRQHHQSA-N 1 0 260.381 2.451 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCO1 ZINC000219883851 333158659 /nfs/dbraw/zinc/15/86/59/333158659.db2.gz DHEOBSCUXLNUEZ-DOMZBBRYSA-N 1 0 260.381 2.336 20 10 CECDRO COc1cccc(C[NH2+][C@@H](CCO)C(C)(C)C)c1O ZINC000231074205 333324023 /nfs/dbraw/zinc/32/40/23/333324023.db2.gz NQNGIFHXDSJAFX-ZDUSSCGKSA-N 1 0 267.369 2.288 20 10 CECDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(F)c1O ZINC000252778044 334392373 /nfs/dbraw/zinc/39/23/73/334392373.db2.gz QRWBOWLVPZGMEJ-AAEUAGOBSA-N 1 0 264.344 2.200 20 10 CECDRO COC(=O)C1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000264421304 334678973 /nfs/dbraw/zinc/67/89/73/334678973.db2.gz RCJFOXQKLZWNKK-UHFFFAOYSA-N 1 0 263.337 2.214 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000274748902 520176377 /nfs/dbraw/zinc/17/63/77/520176377.db2.gz AENPNYDHHVXFAH-LBPRGKRZSA-N 1 0 264.369 2.138 20 10 CECDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000280939624 519539698 /nfs/dbraw/zinc/53/96/98/519539698.db2.gz IRVILVLIDOQSGH-YPMHNXCESA-N 1 0 294.370 2.440 20 10 CECDRO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042880109 519776100 /nfs/dbraw/zinc/77/61/00/519776100.db2.gz JHVGXCGYFFUGQS-ZDUSSCGKSA-N 1 0 294.395 2.187 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCC(C)(C)O)c1 ZINC000274786926 521151554 /nfs/dbraw/zinc/15/15/54/521151554.db2.gz XFGDZPFZIOGWAY-UHFFFAOYSA-N 1 0 253.342 2.042 20 10 CECDRO CCOc1cccc(C[NH2+]CCc2nnc(C)s2)c1O ZINC000289831535 521366051 /nfs/dbraw/zinc/36/60/51/521366051.db2.gz MQRCVBLCLQJGHO-UHFFFAOYSA-N 1 0 293.392 2.283 20 10 CECDRO CCOC(CC[NH2+]Cc1ccccc1O)OCC ZINC000228415144 521629923 /nfs/dbraw/zinc/62/99/23/521629923.db2.gz PHWWFTBFBKOUKE-UHFFFAOYSA-N 1 0 253.342 2.271 20 10 CECDRO CN(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1F ZINC000126625914 522185861 /nfs/dbraw/zinc/18/58/61/522185861.db2.gz ODAFCDLGKMIJGT-PBWFPOADSA-N 1 0 278.371 2.379 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)cc1 ZINC000063218009 522211370 /nfs/dbraw/zinc/21/13/70/522211370.db2.gz MWQHSIVSLBKSGA-QGZVFWFLSA-N 1 0 284.403 2.446 20 10 CECDRO CC[C@@H](CSC)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000163873131 522612590 /nfs/dbraw/zinc/61/25/90/522612590.db2.gz UMIGJSCYXXFRQN-JTQLQIEISA-N 1 0 269.366 2.352 20 10 CECDRO COC(=O)C(C)(C)CC[NH2+]Cc1cccc(C)c1O ZINC000289630394 522772128 /nfs/dbraw/zinc/77/21/28/522772128.db2.gz WUHBNXGSYKISRR-UHFFFAOYSA-N 1 0 265.353 2.380 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)Cn1cncn1)c1ccc(C)cc1O ZINC000280263814 522936434 /nfs/dbraw/zinc/93/64/34/522936434.db2.gz XJJHEXLGXUUGKH-TZMCWYRMSA-N 1 0 274.368 2.422 20 10 CECDRO CC[C@@H]([NH2+][C@H]1COC[C@@H]1OC)c1ccc(C)cc1O ZINC000290117168 522954408 /nfs/dbraw/zinc/95/44/08/522954408.db2.gz JACBOJSUWBZUGS-IPYPFGDCSA-N 1 0 265.353 2.155 20 10 CECDRO COc1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)cc1C ZINC000280626428 524069676 /nfs/dbraw/zinc/06/96/76/524069676.db2.gz LOZAGSUSPPDLAE-LJQANCHMSA-N 1 0 281.421 2.394 20 10 CECDRO C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000282062694 524335975 /nfs/dbraw/zinc/33/59/75/524335975.db2.gz MSCYQWVEDQHAPV-CJNGLKHVSA-N 1 0 289.423 2.147 20 10 CECDRO Cc1cccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c1O ZINC000277039112 524406477 /nfs/dbraw/zinc/40/64/77/524406477.db2.gz NOSKUMRJZFJCCW-UHFFFAOYSA-N 1 0 270.332 2.360 20 10 CECDRO C[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000285809093 524581685 /nfs/dbraw/zinc/58/16/85/524581685.db2.gz RIRRDMBNNOPBES-AWEZNQCLSA-N 1 0 289.423 2.134 20 10 CECDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C[NH+](C)C ZINC000293387641 524748413 /nfs/dbraw/zinc/74/84/13/524748413.db2.gz ISPHMYNNJISUTK-QWRGUYRKSA-N 1 0 254.349 2.380 20 10 CECDRO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1Cc1ccccc1O ZINC000289925655 525106798 /nfs/dbraw/zinc/10/67/98/525106798.db2.gz WAPAWFKKSZUNND-DZGCQCFKSA-N 1 0 260.381 2.451 20 10 CECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccn1 ZINC000042879410 525432972 /nfs/dbraw/zinc/43/29/72/525432972.db2.gz XVDYHZIHCKESRE-JTQLQIEISA-N 1 0 272.304 2.367 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N(C)C)c(O)c1C ZINC000273364176 525725326 /nfs/dbraw/zinc/72/53/26/525725326.db2.gz AXXOQCKIHYFSJW-GFCCVEGCSA-N 1 0 264.369 2.138 20 10 CECDRO COc1cccc(C[NH2+]C[C@](C)(O)c2cccs2)c1O ZINC000265780943 526023946 /nfs/dbraw/zinc/02/39/46/526023946.db2.gz OKAVDXNTDUJBRB-HNNXBMFYSA-N 1 0 293.388 2.460 20 10 CECDRO Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000275713175 527471756 /nfs/dbraw/zinc/47/17/56/527471756.db2.gz YMIAQDKZYSLKQZ-ZFWWWQNUSA-N 1 0 287.363 2.136 20 10 CECDRO CC[NH+](CC)[C@H](C)CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875072118 649884850 /nfs/dbraw/zinc/88/48/50/649884850.db2.gz YLQDLIGEGUXVOI-GFCCVEGCSA-N 1 0 291.395 2.148 20 10 CECDRO CN(C)c1ccc(CNC(=O)CCCC[NH+](C)C)cc1F ZINC000729286325 574484480 /nfs/dbraw/zinc/48/44/80/574484480.db2.gz MBKAZXLJPGVQOT-UHFFFAOYSA-N 1 0 295.402 2.240 20 10 CECDRO COC(=O)C1CCC([NH2+]Cc2c(O)cccc2OC)CC1 ZINC000730107493 574501899 /nfs/dbraw/zinc/50/18/99/574501899.db2.gz MEHJCXSQVLKOOC-UHFFFAOYSA-N 1 0 293.363 2.222 20 10 CECDRO CO[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000733329957 574665012 /nfs/dbraw/zinc/66/50/12/574665012.db2.gz MKVNHQGWKQGYDF-GFCCVEGCSA-N 1 0 275.270 2.288 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@H]2C)cc1C ZINC000742218428 575011203 /nfs/dbraw/zinc/01/12/03/575011203.db2.gz HOZPOLYMTPGJRK-CZUORRHYSA-N 1 0 290.407 2.350 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCSC2)c(O)c1 ZINC000742383072 575019295 /nfs/dbraw/zinc/01/92/95/575019295.db2.gz SMGLIQXAYMGZPB-NSHDSACASA-N 1 0 253.367 2.386 20 10 CECDRO CC[C@H](C(=O)NCc1cc(OC)ccc1O)[NH+](CC)CC ZINC000750023274 575244120 /nfs/dbraw/zinc/24/41/20/575244120.db2.gz XCIPHGHBQKWFHY-CQSZACIVSA-N 1 0 294.395 2.137 20 10 CECDRO CC(C)(C)[NH2+]CCC(=O)NCc1cccc(Cl)c1O ZINC000890763401 622935840 /nfs/dbraw/zinc/93/58/40/622935840.db2.gz VNINOJHSFAEEOG-UHFFFAOYSA-N 1 0 284.787 2.440 20 10 CECDRO C[NH2+]C1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000843351383 622943758 /nfs/dbraw/zinc/94/37/58/622943758.db2.gz MMLLSLHYTOKUMF-UHFFFAOYSA-N 1 0 296.798 2.432 20 10 CECDRO C/C=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247711 623324737 /nfs/dbraw/zinc/32/47/37/623324737.db2.gz UMGMOJLKGICFPP-LQYUOIDQSA-N 1 0 275.396 2.048 20 10 CECDRO COc1ccc(C[NH2+]C[C@H](O)c2ccco2)cc1C ZINC000078879397 623708054 /nfs/dbraw/zinc/70/80/54/623708054.db2.gz JHEKZLKLDBQBOX-ZDUSSCGKSA-N 1 0 261.321 2.420 20 10 CECDRO CC(C)(CN1CCCC1)[NH2+]Cc1cc(F)ccc1O ZINC000308627786 623902843 /nfs/dbraw/zinc/90/28/43/623902843.db2.gz JDRPSJKMZDIXCS-UHFFFAOYSA-N 1 0 266.360 2.495 20 10 CECDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(F)ccc1O ZINC000829208204 624839869 /nfs/dbraw/zinc/83/98/69/624839869.db2.gz GYGCUPPLXLMMQJ-UWVGGRQHSA-N 1 0 253.317 2.343 20 10 CECDRO CCn1cc[nH+]c1NCc1ccc(N2CCOCC2)cc1 ZINC000840886341 627352255 /nfs/dbraw/zinc/35/22/55/627352255.db2.gz CJWLQHCRGXTKDZ-UHFFFAOYSA-N 1 0 286.379 2.352 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1O ZINC000311520584 627675016 /nfs/dbraw/zinc/67/50/16/627675016.db2.gz VLSHYDNGTZJHOM-WCQYABFASA-N 1 0 265.353 2.306 20 10 CECDRO COc1ccc(C[NH2+]C[C@](C)(OC)C2CC2)c(O)c1 ZINC000311629228 627683337 /nfs/dbraw/zinc/68/33/37/627683337.db2.gz YTJMXMSBZYBEJT-HNNXBMFYSA-N 1 0 265.353 2.306 20 10 CECDRO COCC[C@@H](COC)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000311741988 627695360 /nfs/dbraw/zinc/69/53/60/627695360.db2.gz BKIAIBGGXITVES-PWSUYJOCSA-N 1 0 271.332 2.233 20 10 CECDRO COc1ccc(C[NH2+]CC2(O)CCCCC2)c(O)c1OC ZINC000892815671 627789915 /nfs/dbraw/zinc/78/99/15/627789915.db2.gz HNBATTZZNLQZFX-UHFFFAOYSA-N 1 0 295.379 2.194 20 10 CECDRO CCC1([NH3+])CCN(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000892919027 627851942 /nfs/dbraw/zinc/85/19/42/627851942.db2.gz YQEUDTZNEBSXBS-UHFFFAOYSA-N 1 0 291.395 2.147 20 10 CECDRO COc1ccc(C[NH2+]C[C@H](C)SC)c(O)c1OC ZINC000893183214 628101181 /nfs/dbraw/zinc/10/11/81/628101181.db2.gz TZEQOAYYLOZOIB-VIFPVBQESA-N 1 0 271.382 2.251 20 10 CECDRO CC[C@H]([NH2+][C@H](CCO)COC)c1cc(Cl)ccc1O ZINC000775509671 628266810 /nfs/dbraw/zinc/26/68/10/628266810.db2.gz OGAZRLRUMZKZDR-YPMHNXCESA-N 1 0 287.787 2.484 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCCOCC2)c(O)c1OC ZINC000893309211 628288277 /nfs/dbraw/zinc/28/82/77/628288277.db2.gz PBTHTHGIJXUMKZ-GFCCVEGCSA-N 1 0 281.352 2.068 20 10 CECDRO C[C@H](N)[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1 ZINC000925692502 628510411 /nfs/dbraw/zinc/51/04/11/628510411.db2.gz LPCYNFBNMXSUTP-SUMWQHHRSA-N 1 0 269.392 2.489 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000840938000 628756239 /nfs/dbraw/zinc/75/62/39/628756239.db2.gz YULWNZPNGRFNLW-BFUOFWGJSA-N 1 0 282.453 2.308 20 10 CECDRO C[NH2+]C[C@H]1CCCN1Cc1cc(Br)ccc1O ZINC000220321675 628825054 /nfs/dbraw/zinc/82/50/54/628825054.db2.gz MGQNPZZPDBXDOW-GFCCVEGCSA-N 1 0 299.212 2.339 20 10 CECDRO C[NH2+]CCCN(C)Cc1cc(Cl)cc(OC)c1O ZINC000229104515 628924515 /nfs/dbraw/zinc/92/45/15/628924515.db2.gz GRZRMIIMDIFYGN-UHFFFAOYSA-N 1 0 272.776 2.096 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CNOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000925863305 628964090 /nfs/dbraw/zinc/96/40/90/628964090.db2.gz AGINBDWXHYRZEG-TZMCWYRMSA-N 1 0 293.386 2.370 20 10 CECDRO CCC(=O)N1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893967146 629067172 /nfs/dbraw/zinc/06/71/72/629067172.db2.gz JFPCGKHFGGTTJI-UHFFFAOYSA-N 1 0 298.333 2.115 20 10 CECDRO Cc1cccc(O)c1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000877528299 629179713 /nfs/dbraw/zinc/17/97/13/629179713.db2.gz WWDGHWCBDPWJAQ-NSHDSACASA-N 1 0 263.259 2.056 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c1O ZINC000894181063 629195628 /nfs/dbraw/zinc/19/56/28/629195628.db2.gz PAACHJLQFBUVAO-GJZGRUSLSA-N 1 0 290.407 2.426 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCN3CCCC[C@H]23)c1O ZINC000894181067 629195698 /nfs/dbraw/zinc/19/56/98/629195698.db2.gz PAACHJLQFBUVAO-LSDHHAIUSA-N 1 0 290.407 2.426 20 10 CECDRO CCn1cc(C[NH2+]Cc2ccc(OC)cc2O)c(C)n1 ZINC000894185437 629197399 /nfs/dbraw/zinc/19/73/99/629197399.db2.gz NWCCDPBXCCKIDK-UHFFFAOYSA-N 1 0 275.352 2.215 20 10 CECDRO COc1ccc(N2CCC([NH2+]Cc3cnc[nH]3)CC2)cc1 ZINC000894216192 629231623 /nfs/dbraw/zinc/23/16/23/629231623.db2.gz JRYFRNDJMYSFDP-UHFFFAOYSA-N 1 0 286.379 2.177 20 10 CECDRO CC[C@H]([NH2+][C@H](C)CC(N)=O)c1ccc(C)cc1O ZINC000794810577 629326336 /nfs/dbraw/zinc/32/63/36/629326336.db2.gz LWONYQYUTMRRJN-PWSUYJOCSA-N 1 0 250.342 2.005 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(C)cc1O ZINC000794819664 629327194 /nfs/dbraw/zinc/32/71/94/629327194.db2.gz XBGHBDVXSJFHAL-DGCLKSJQSA-N 1 0 285.409 2.174 20 10 CECDRO CC(C)(C)NC(=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000312651264 629343590 /nfs/dbraw/zinc/34/35/90/629343590.db2.gz FNLNXBKJSVPHAC-LBPRGKRZSA-N 1 0 276.380 2.274 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1O ZINC000894359416 629391249 /nfs/dbraw/zinc/39/12/49/629391249.db2.gz ODYRMWLOQDKZJW-DGCLKSJQSA-N 1 0 265.353 2.366 20 10 CECDRO COc1ccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c(O)c1OC ZINC000894398251 629431207 /nfs/dbraw/zinc/43/12/07/629431207.db2.gz RWMZDYIRYYHIKS-TXEJJXNPSA-N 1 0 281.352 2.019 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H]2CCO)c1O ZINC000894499185 629494273 /nfs/dbraw/zinc/49/42/73/629494273.db2.gz GDTHSWXDKZQKSE-ZDUSSCGKSA-N 1 0 265.353 2.056 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCCC[C@@H]2O)c1O ZINC000894504260 629500012 /nfs/dbraw/zinc/50/00/12/629500012.db2.gz MPSDUUXSJXTNQV-STQMWFEESA-N 1 0 265.353 2.102 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCC(C)(C)CO)c1O ZINC000894877235 629712260 /nfs/dbraw/zinc/71/22/60/629712260.db2.gz SNUBTXDGEBOPHC-UHFFFAOYSA-N 1 0 267.369 2.207 20 10 CECDRO COCC[C@@H](C)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894897049 629735199 /nfs/dbraw/zinc/73/51/99/629735199.db2.gz WYVRMOCFFCEOHS-LLVKDONJSA-N 1 0 283.368 2.172 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@@H]3C1)[C@H](O)CO2 ZINC000902654438 634759638 /nfs/dbraw/zinc/75/96/38/634759638.db2.gz MIJNPPHXCUEMKI-JRPNMDOOSA-N 1 0 275.348 2.050 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](CCCO)C2)c1O ZINC000894956736 629766871 /nfs/dbraw/zinc/76/68/71/629766871.db2.gz LAOZJFPFFQFHMQ-CYBMUJFWSA-N 1 0 279.380 2.304 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c1O ZINC000895014903 629798780 /nfs/dbraw/zinc/79/87/80/629798780.db2.gz PZYNTWUJECFFDU-TZMCWYRMSA-N 1 0 279.380 2.350 20 10 CECDRO Cc1nnc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000895007514 629799235 /nfs/dbraw/zinc/79/92/35/629799235.db2.gz JTALZXLTVCZJIB-JTQLQIEISA-N 1 0 292.770 2.462 20 10 CECDRO COC(=O)N1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000237254087 630040835 /nfs/dbraw/zinc/04/08/35/630040835.db2.gz BFTLGNCHKQKMLW-UHFFFAOYSA-N 1 0 298.770 2.366 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ocnc3C)C2)cc1 ZINC000895227980 630042137 /nfs/dbraw/zinc/04/21/37/630042137.db2.gz HKNPAUMZDANNTG-CYBMUJFWSA-N 1 0 287.363 2.360 20 10 CECDRO Cc1cccc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1O ZINC000895678313 630297181 /nfs/dbraw/zinc/29/71/81/630297181.db2.gz SVZLDJYNUNLNIT-VIFPVBQESA-N 1 0 299.239 2.349 20 10 CECDRO Nc1nc(NCc2c(O)cccc2F)c2c([nH+]1)CCCC2 ZINC000895832844 630369899 /nfs/dbraw/zinc/36/98/99/630369899.db2.gz OBHPBCPGIYAXJY-UHFFFAOYSA-N 1 0 288.326 2.394 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c1O ZINC000895836559 630371637 /nfs/dbraw/zinc/37/16/37/630371637.db2.gz MMFLQYZBNGQGKX-CYBMUJFWSA-N 1 0 289.297 2.447 20 10 CECDRO Cc1cccc(C[N@@H+]2[C@H](C)C(=O)N(C)[C@H](C)[C@@H]2C)c1O ZINC000895919259 630403088 /nfs/dbraw/zinc/40/30/88/630403088.db2.gz DZTKFHKSXWQRBO-FRRDWIJNSA-N 1 0 276.380 2.140 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c(O)c1OC ZINC000895953759 630417357 /nfs/dbraw/zinc/41/73/57/630417357.db2.gz PRBDCBIUPWMROR-GFCCVEGCSA-N 1 0 295.379 2.002 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841897632 630477424 /nfs/dbraw/zinc/47/74/24/630477424.db2.gz HDBXYNIJUOQUTJ-CQSZACIVSA-N 1 0 297.393 2.490 20 10 CECDRO COC(=O)C[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@H]1C ZINC000896470452 630569715 /nfs/dbraw/zinc/56/97/15/630569715.db2.gz RIBSXCAQWXTILB-TZMCWYRMSA-N 1 0 277.364 2.332 20 10 CECDRO CCN1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1=O ZINC000896728554 630650130 /nfs/dbraw/zinc/65/01/30/630650130.db2.gz BGWSIHPKFXPDIN-MRXNPFEDSA-N 1 0 289.423 2.162 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC3(CCNC(=O)O3)CC2)c1 ZINC000897013232 630874736 /nfs/dbraw/zinc/87/47/36/630874736.db2.gz GROWEYGMCBOGSP-UHFFFAOYSA-N 1 0 290.363 2.165 20 10 CECDRO CCOc1ccc(C[NH2+]C2(CN(C)C)CCC2)c(O)c1 ZINC000798501459 630881227 /nfs/dbraw/zinc/88/12/27/630881227.db2.gz DEXOGCMPHOUNEJ-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c1O ZINC000897049784 630910389 /nfs/dbraw/zinc/91/03/89/630910389.db2.gz KACPGQMJFJIIAW-ZSOGYDGISA-N 1 0 277.364 2.473 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H](C)O ZINC000824921541 635526390 /nfs/dbraw/zinc/52/63/90/635526390.db2.gz MWDYVWIDAYRIJF-MFKMUULPSA-N 1 0 254.349 2.141 20 10 CECDRO CCc1cccc(C[NH2+]Cc2cncc(O)c2)c1O ZINC000897314722 631096516 /nfs/dbraw/zinc/09/65/16/631096516.db2.gz AKWREKJSTPGUTH-UHFFFAOYSA-N 1 0 258.321 2.345 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCN(C(C)=O)[C@@H]2C)cc1C ZINC000985871079 631191623 /nfs/dbraw/zinc/19/16/23/631191623.db2.gz NQKAQSJAVKYXJJ-DOMZBBRYSA-N 1 0 276.380 2.103 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(C)C2)c1O ZINC000228671964 631213903 /nfs/dbraw/zinc/21/39/03/631213903.db2.gz WPDIWFNVPHYGKM-GFCCVEGCSA-N 1 0 284.787 2.238 20 10 CECDRO Oc1ccc(Cl)cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843105607 631636515 /nfs/dbraw/zinc/63/65/15/631636515.db2.gz SHLUXBRHTZXHFF-BETUJISGSA-N 1 0 266.772 2.372 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC2(C3(O)CCC3)CC2)c1 ZINC000897530682 631676175 /nfs/dbraw/zinc/67/61/75/631676175.db2.gz PKXRSVMOYXSNDS-UHFFFAOYSA-N 1 0 261.365 2.485 20 10 CECDRO CC1(C)CC[N@H+](Cc2ccccc2O)CC[S@]1=O ZINC000322096424 631723392 /nfs/dbraw/zinc/72/33/92/631723392.db2.gz IHIKBVAYCOSOST-GOSISDBHSA-N 1 0 267.394 2.125 20 10 CECDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1O ZINC000806717508 631768274 /nfs/dbraw/zinc/76/82/74/631768274.db2.gz IMLQAJXWAMGYLA-CQSZACIVSA-N 1 0 276.380 2.273 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1C ZINC000897623358 631829490 /nfs/dbraw/zinc/82/94/90/631829490.db2.gz CYGDLSZQDOSTDQ-YOEHRIQHSA-N 1 0 288.391 2.096 20 10 CECDRO O=C1CCCN1C1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000897784454 631915213 /nfs/dbraw/zinc/91/52/13/631915213.db2.gz UGNTXRLMKOGUJE-UHFFFAOYSA-N 1 0 296.370 2.352 20 10 CECDRO Cn1cnc(C[NH2+]CCCSc2nccs2)c1 ZINC000808388166 631954938 /nfs/dbraw/zinc/95/49/38/631954938.db2.gz CCUCHMYLYIHNOP-UHFFFAOYSA-N 1 0 268.411 2.149 20 10 CECDRO COC(=O)C[C@@H]([NH2+]Cc1ccccc1O)C(C)(C)C ZINC000897888483 631962443 /nfs/dbraw/zinc/96/24/43/631962443.db2.gz CEDOIUQQIWLMQV-CYBMUJFWSA-N 1 0 265.353 2.460 20 10 CECDRO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccccc3O)[C@@H]2C1 ZINC000808445182 631963514 /nfs/dbraw/zinc/96/35/14/631963514.db2.gz AIIWYUARLCKPMM-ARFHVFGLSA-N 1 0 288.391 2.129 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CO)COC2)c1O ZINC000808708027 632002565 /nfs/dbraw/zinc/00/25/65/632002565.db2.gz FMLPNCVIAODTHN-SNVBAGLBSA-N 1 0 285.771 2.014 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(O)CCOC2)c1O ZINC000808708174 632003287 /nfs/dbraw/zinc/00/32/87/632003287.db2.gz IZTVRFNZKCYAAV-IINYFYTJSA-N 1 0 285.771 2.156 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2cn(C)cn2)cc1 ZINC000898043184 632035343 /nfs/dbraw/zinc/03/53/43/632035343.db2.gz HIKQGUPQFXMAKD-PLNGDYQASA-N 1 0 270.380 2.289 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CC[C@H](O)C2CC2)c1O ZINC000898202423 632083400 /nfs/dbraw/zinc/08/34/00/632083400.db2.gz BDTXVPJQXFNHKF-LBPRGKRZSA-N 1 0 285.771 2.305 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC[C@@H](O)C2CC2)cc1F ZINC000898202645 632083788 /nfs/dbraw/zinc/08/37/88/632083788.db2.gz KJDHVRYCNTVPGP-OAHLLOKOSA-N 1 0 266.360 2.142 20 10 CECDRO C[C@@H](O)c1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)s1 ZINC000809612549 632110814 /nfs/dbraw/zinc/11/08/14/632110814.db2.gz QILIADLFWJRGAI-SNVBAGLBSA-N 1 0 290.388 2.421 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)COC(C)C)c1O ZINC000809740297 632135698 /nfs/dbraw/zinc/13/56/98/632135698.db2.gz STLJHLZBAUYWSV-NSHDSACASA-N 1 0 253.342 2.304 20 10 CECDRO CCOC1CC([N@H+](C)Cc2c(O)cccc2OC)C1 ZINC000809773477 632144427 /nfs/dbraw/zinc/14/44/27/632144427.db2.gz DJAXYFNMBTXQFR-UHFFFAOYSA-N 1 0 265.353 2.400 20 10 CECDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000809778158 632144639 /nfs/dbraw/zinc/14/46/39/632144639.db2.gz LBFQDFFNHQNYHA-OAHLLOKOSA-N 1 0 290.407 2.439 20 10 CECDRO COCC[C@H](COC)[NH2+]Cc1cc(C)c(C)cc1O ZINC000810173992 632191960 /nfs/dbraw/zinc/19/19/60/632191960.db2.gz MLXIVYOEWULERZ-CQSZACIVSA-N 1 0 267.369 2.150 20 10 CECDRO CC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)OC ZINC000810176733 632192373 /nfs/dbraw/zinc/19/23/73/632192373.db2.gz TVDAOYVQNITSCY-CQSZACIVSA-N 1 0 296.386 2.177 20 10 CECDRO CCO[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)CN(C)C ZINC000926959244 632386200 /nfs/dbraw/zinc/38/62/00/632386200.db2.gz AOUJNJBYVSBQHB-RHSMWYFYSA-N 1 0 293.455 2.370 20 10 CECDRO CCO[C@@H](C[NH2+][C@@H](C)c1cccc(OC)c1O)CN(C)C ZINC000926964309 632392599 /nfs/dbraw/zinc/39/25/99/632392599.db2.gz WYDQZNBCEIOSEU-STQMWFEESA-N 1 0 296.411 2.018 20 10 CECDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000811583511 632403777 /nfs/dbraw/zinc/40/37/77/632403777.db2.gz LBAARMLLGVZNHO-JTQLQIEISA-N 1 0 270.398 2.304 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2NCCc3ccccc32)c1 ZINC000841068731 632461766 /nfs/dbraw/zinc/46/17/66/632461766.db2.gz IMNLFOFQCUPRLX-QGZVFWFLSA-N 1 0 298.386 2.377 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccnn2C)c(O)c1C ZINC000927136328 632532139 /nfs/dbraw/zinc/53/21/39/632532139.db2.gz QNBOLFOGVKRLLQ-WFASDCNBSA-N 1 0 289.379 2.127 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000813333330 632672152 /nfs/dbraw/zinc/67/21/52/632672152.db2.gz LOHHWWVCKCEWDX-AWEZNQCLSA-N 1 0 269.316 2.164 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]C2COCCOC2)c2c1c(F)ccc2O ZINC000813879002 632752086 /nfs/dbraw/zinc/75/20/86/632752086.db2.gz IFVXTIBXSOJOOD-BXKDBHETSA-N 1 0 281.327 2.085 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@]2(C)CO)ccc1N(C)C ZINC000815093033 632956919 /nfs/dbraw/zinc/95/69/19/632956919.db2.gz ZTBQAWFDQRBNHQ-MRXNPFEDSA-N 1 0 262.397 2.408 20 10 CECDRO COCC[C@]1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCOC1 ZINC000815103649 632959995 /nfs/dbraw/zinc/95/99/95/632959995.db2.gz XVSRFJIFOHQERH-KRWDZBQOSA-N 1 0 292.423 2.346 20 10 CECDRO CC[S@](=O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816551077 633411044 /nfs/dbraw/zinc/41/10/44/633411044.db2.gz NYXKAWCGTISYKZ-IBGZPJMESA-N 1 0 277.389 2.404 20 10 CECDRO OCCOCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816565962 633414299 /nfs/dbraw/zinc/41/42/99/633414299.db2.gz HPKXBQWCBLQMDD-UHFFFAOYSA-N 1 0 275.348 2.034 20 10 CECDRO COC1([C@@H](C)[NH2+]Cc2cc(F)ccc2O)CCOCC1 ZINC000817419261 633655779 /nfs/dbraw/zinc/65/57/79/633655779.db2.gz FCQKFVIDKSBUNV-LLVKDONJSA-N 1 0 283.343 2.205 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000817419912 633656320 /nfs/dbraw/zinc/65/63/20/633656320.db2.gz ZNANWCDAOBFLGB-CYBMUJFWSA-N 1 0 279.380 2.385 20 10 CECDRO CC[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000817586837 633702690 /nfs/dbraw/zinc/70/26/90/633702690.db2.gz SSCBCPNOATXIRF-HNNXBMFYSA-N 1 0 289.423 2.449 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCc3n[nH]cc32)cc1 ZINC000817941815 633789430 /nfs/dbraw/zinc/78/94/30/633789430.db2.gz LBBIIRQQCUUQCN-HZPDHXFCSA-N 1 0 299.422 2.143 20 10 CECDRO C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000817944426 633791204 /nfs/dbraw/zinc/79/12/04/633791204.db2.gz BSKMDTSUETVQDL-FXPVBKGRSA-N 1 0 250.317 2.031 20 10 CECDRO CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817952249 633795852 /nfs/dbraw/zinc/79/58/52/633795852.db2.gz CXSRYLCBSSWQJY-NSHDSACASA-N 1 0 281.356 2.339 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)c2nccn21 ZINC000817957801 633799331 /nfs/dbraw/zinc/79/93/31/633799331.db2.gz PGFAYDPOPIXJAG-SMDDNHRTSA-N 1 0 256.353 2.303 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972631 633815934 /nfs/dbraw/zinc/81/59/34/633815934.db2.gz YVPDWSDZUXVXDP-GMTAPVOTSA-N 1 0 279.340 2.092 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(N(C)C)cc1 ZINC000817976387 633819052 /nfs/dbraw/zinc/81/90/52/633819052.db2.gz KZMLFDAJMPGDEB-UBHSHLNASA-N 1 0 265.376 2.103 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)c(O)c1 ZINC000817976799 633819927 /nfs/dbraw/zinc/81/99/27/633819927.db2.gz ULDCZUWBKWSINN-AGIUHOORSA-N 1 0 266.360 2.360 20 10 CECDRO C[C@@H]([NH3+])[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817977751 633821905 /nfs/dbraw/zinc/82/19/05/633821905.db2.gz OCIQQWVBASRZCU-UPJWGTAASA-N 1 0 295.402 2.049 20 10 CECDRO C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817984780 633828222 /nfs/dbraw/zinc/82/82/22/633828222.db2.gz ZWXZCMQDOKQYTQ-SECBINFHSA-N 1 0 270.323 2.463 20 10 CECDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(C)cc2O)n1 ZINC000818344233 633912849 /nfs/dbraw/zinc/91/28/49/633912849.db2.gz AJLPJFGPDNWEEM-NSHDSACASA-N 1 0 274.368 2.471 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000818608176 633958360 /nfs/dbraw/zinc/95/83/60/633958360.db2.gz QIBGHBLIPDKBRH-KBPBESRZSA-N 1 0 291.439 2.473 20 10 CECDRO O[C@@H](C[NH2+]Cc1ccc(N2CC=CC2)cc1)C(F)(F)F ZINC000819096546 634067306 /nfs/dbraw/zinc/06/73/06/634067306.db2.gz QEOONSGSQKGBTP-ZDUSSCGKSA-N 1 0 286.297 2.076 20 10 CECDRO COc1cccc(C[NH+]2CC(CC(F)F)C2)c1O ZINC000822520889 634934352 /nfs/dbraw/zinc/93/43/52/634934352.db2.gz RCJRZQXCODTZGK-UHFFFAOYSA-N 1 0 257.280 2.488 20 10 CECDRO CC(C)[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1nncn1C ZINC000903066482 634952658 /nfs/dbraw/zinc/95/26/58/634952658.db2.gz VKOVODOKTCWHEX-IUODEOHRSA-N 1 0 286.379 2.495 20 10 CECDRO COc1ccc(CN[C@H]2C[NH2+]CCC2(F)F)cc1C ZINC000841075657 634996725 /nfs/dbraw/zinc/99/67/25/634996725.db2.gz UELLQKUIRFXWPX-ZDUSSCGKSA-N 1 0 270.323 2.090 20 10 CECDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000903299191 635046433 /nfs/dbraw/zinc/04/64/33/635046433.db2.gz HIGAPYSIQGGLOT-XIDUGBJDSA-N 1 0 295.354 2.473 20 10 CECDRO CC[C@@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000903342993 635070479 /nfs/dbraw/zinc/07/04/79/635070479.db2.gz LVQTXLRGEYTREO-CABCVRRESA-N 1 0 292.423 2.462 20 10 CECDRO CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000903342994 635070586 /nfs/dbraw/zinc/07/05/86/635070586.db2.gz LVQTXLRGEYTREO-GJZGRUSLSA-N 1 0 292.423 2.462 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC[C@H](O)C2CC2)c1O ZINC000903410186 635104506 /nfs/dbraw/zinc/10/45/06/635104506.db2.gz DPFKPQNIAVOLFT-GWCFXTLKSA-N 1 0 265.353 2.212 20 10 CECDRO CCN(C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)c1ccc(OC)cc1 ZINC000903722700 635235939 /nfs/dbraw/zinc/23/59/39/635235939.db2.gz DFYODSGTVJVONL-IAGOWNOFSA-N 1 0 290.407 2.290 20 10 CECDRO COc1ccc(N(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903763431 635257106 /nfs/dbraw/zinc/25/71/06/635257106.db2.gz JTQQMJZEGHZJQO-MRXNPFEDSA-N 1 0 290.407 2.290 20 10 CECDRO Cc1cc(CN(C)C2(C[NH3+])CCOCC2)ccc1N(C)C ZINC000903809613 635283499 /nfs/dbraw/zinc/28/34/99/635283499.db2.gz HPGUGCSYARWQLS-UHFFFAOYSA-N 1 0 291.439 2.001 20 10 CECDRO C[N@@H+]1CC[C@@H](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000824213513 635376711 /nfs/dbraw/zinc/37/67/11/635376711.db2.gz QBUAHUAXAFFAPH-JTQLQIEISA-N 1 0 282.771 2.004 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2cc(N)ccn2)c1O ZINC000903950180 635383298 /nfs/dbraw/zinc/38/32/98/635383298.db2.gz JRQWOGXUNWICLH-UHFFFAOYSA-N 1 0 273.336 2.058 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903987040 635405314 /nfs/dbraw/zinc/40/53/14/635405314.db2.gz XGYPUDWTTHRHAK-OAHLLOKOSA-N 1 0 261.413 2.230 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCC(C(N)=O)CC2)cc1Cl ZINC000824490770 635434928 /nfs/dbraw/zinc/43/49/28/635434928.db2.gz JYDNITDFLYZLOI-UHFFFAOYSA-N 1 0 282.771 2.051 20 10 CECDRO CCNC(=O)C[N@H+](CC)Cc1cc(Cl)c(C)cc1O ZINC000824529083 635443587 /nfs/dbraw/zinc/44/35/87/635443587.db2.gz HFAIEKKZTRHNQN-UHFFFAOYSA-N 1 0 284.787 2.312 20 10 CECDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000824533867 635444275 /nfs/dbraw/zinc/44/42/75/635444275.db2.gz RHIWEWCVVGVQKU-LBPRGKRZSA-N 1 0 254.349 2.094 20 10 CECDRO Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1O ZINC000824653946 635471206 /nfs/dbraw/zinc/47/12/06/635471206.db2.gz JSDVBNNLCRPBMJ-XHSDSOJGSA-N 1 0 291.391 2.062 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000824708882 635481693 /nfs/dbraw/zinc/48/16/93/635481693.db2.gz KZFHZAWRZCCVIX-SMDDNHRTSA-N 1 0 299.798 2.495 20 10 CECDRO COc1cccc(C[N@H+]2CC[C@H](OC)[C@H](C)C2)c1O ZINC000824814716 635503095 /nfs/dbraw/zinc/50/30/95/635503095.db2.gz DUNRWSBJLLUGNF-YPMHNXCESA-N 1 0 265.353 2.258 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCC(=O)NC(C)C)cc1Cl ZINC000825096780 635566170 /nfs/dbraw/zinc/56/61/70/635566170.db2.gz INAISUMWDSYQOI-UHFFFAOYSA-N 1 0 284.787 2.358 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@]3(CCOC3)C1)OCO2 ZINC000825134039 635575961 /nfs/dbraw/zinc/57/59/61/635575961.db2.gz SYAOGJGBUXVXPE-MRXNPFEDSA-N 1 0 291.347 2.123 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2nccn2C2CC2)cc1 ZINC000904354021 635585519 /nfs/dbraw/zinc/58/55/19/635585519.db2.gz UHUUHUZPESDAIW-INIZCTEOSA-N 1 0 299.422 2.074 20 10 CECDRO [NH3+]CC[C@@H](NCc1ccc2c(c1)CCCO2)C(F)F ZINC000904355468 635586476 /nfs/dbraw/zinc/58/64/76/635586476.db2.gz RZRSZDPOAQWVBH-GFCCVEGCSA-N 1 0 270.323 2.084 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C)C2)cc1Cl ZINC000825247908 635599224 /nfs/dbraw/zinc/59/92/24/635599224.db2.gz ZNVPHNMOOLPVGT-LLVKDONJSA-N 1 0 254.761 2.148 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ncccc2OC)c1 ZINC000825249610 635599592 /nfs/dbraw/zinc/59/95/92/635599592.db2.gz JVXXUWZRYAAFQY-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCC(=O)N(C)C2)cc1Cl ZINC000825298167 635608225 /nfs/dbraw/zinc/60/82/25/635608225.db2.gz VQDKMHSGNGHFGU-NSHDSACASA-N 1 0 282.771 2.064 20 10 CECDRO [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000904405118 635612183 /nfs/dbraw/zinc/61/21/83/635612183.db2.gz DLNNLZDHFOCRPL-SNVBAGLBSA-N 1 0 299.212 2.325 20 10 CECDRO COCCC[N@H+](CCO)Cc1cc(Cl)c(C)cc1O ZINC000825628994 635681198 /nfs/dbraw/zinc/68/11/98/635681198.db2.gz OVQKYMAADMISPB-UHFFFAOYSA-N 1 0 287.787 2.185 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2([S@@](C)=O)CC2)cc1Cl ZINC000825773741 635710980 /nfs/dbraw/zinc/71/09/80/635710980.db2.gz OUQIISHAXPLDNK-GOSISDBHSA-N 1 0 287.812 2.355 20 10 CECDRO Cc1cc(O)c(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)cc1Cl ZINC000826096980 635760931 /nfs/dbraw/zinc/76/09/31/635760931.db2.gz KRSAEOYARMCVQM-BXUZGUMPSA-N 1 0 299.798 2.326 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]C3CC(OC)C3)C2)cc1 ZINC000826846094 635859784 /nfs/dbraw/zinc/85/97/84/635859784.db2.gz PMZRWGLJYCIFSG-VEAWUBTESA-N 1 0 276.380 2.041 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000826878327 635870037 /nfs/dbraw/zinc/87/00/37/635870037.db2.gz WYTHGTHTNOLESP-INIZCTEOSA-N 1 0 277.364 2.402 20 10 CECDRO CO[C@]1(CO)CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826952975 636170437 /nfs/dbraw/zinc/17/04/37/636170437.db2.gz YFSDSDKQQZYGAH-OAHLLOKOSA-N 1 0 299.798 2.327 20 10 CECDRO O=C1OCCN1[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000827001409 636185606 /nfs/dbraw/zinc/18/56/06/636185606.db2.gz VUFFEXUJTFCRMZ-JTQLQIEISA-N 1 0 296.754 2.072 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)C[C@H]2COCCO2)cc1Cl ZINC000827139806 636233485 /nfs/dbraw/zinc/23/34/85/636233485.db2.gz FMDPJSWQOQLBDN-LBPRGKRZSA-N 1 0 285.771 2.201 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c1O ZINC000827282797 636280041 /nfs/dbraw/zinc/28/00/41/636280041.db2.gz NICJETHUWHXDEM-BBRMVZONSA-N 1 0 277.364 2.259 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1O ZINC000827282801 636280097 /nfs/dbraw/zinc/28/00/97/636280097.db2.gz NICJETHUWHXDEM-CZUORRHYSA-N 1 0 277.364 2.259 20 10 CECDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000827501104 636338934 /nfs/dbraw/zinc/33/89/34/636338934.db2.gz QOJMJVVESJHVGW-DTORHVGOSA-N 1 0 269.728 2.087 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c1 ZINC000827699837 636398201 /nfs/dbraw/zinc/39/82/01/636398201.db2.gz MTPGZEOVMKMTFV-BLLLJJGKSA-N 1 0 279.380 2.241 20 10 CECDRO COC(=O)[C@H]1C[C@H]([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000827812732 636431443 /nfs/dbraw/zinc/43/14/43/636431443.db2.gz WNCSTBSCBIDXKB-ITDXWKSLSA-N 1 0 288.391 2.307 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)OC)c(O)c1 ZINC000827844387 636441342 /nfs/dbraw/zinc/44/13/42/636441342.db2.gz NBTKPCDMEGVYBO-UONOGXRCSA-N 1 0 293.363 2.222 20 10 CECDRO CCCNC(=O)C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876561637 650329975 /nfs/dbraw/zinc/32/99/75/650329975.db2.gz QABIYFIHDLMGCN-UHFFFAOYSA-N 1 0 290.407 2.439 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000876578796 650343532 /nfs/dbraw/zinc/34/35/32/650343532.db2.gz BLHVMMQBFFAKOO-UHFFFAOYSA-N 1 0 290.407 2.437 20 10 CECDRO C[C@H](NC(=O)C1([NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000832431577 637575369 /nfs/dbraw/zinc/57/53/69/637575369.db2.gz RCVJJSHJUKOSIP-LBPRGKRZSA-N 1 0 275.396 2.024 20 10 CECDRO COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834562669 637868152 /nfs/dbraw/zinc/86/81/52/637868152.db2.gz UYGPOJZGWYVXJM-HUUCEWRRSA-N 1 0 290.407 2.080 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCOc1cccnc1)CC2 ZINC000834585155 637881683 /nfs/dbraw/zinc/88/16/83/637881683.db2.gz HLOYGSFZFNMPDX-AWEZNQCLSA-N 1 0 270.332 2.443 20 10 CECDRO O=C(NCCC[NH2+][C@H]1CCc2cccc(O)c21)C1CCC1 ZINC000834675651 637915478 /nfs/dbraw/zinc/91/54/78/637915478.db2.gz KNQHITIKHIUZRB-AWEZNQCLSA-N 1 0 288.391 2.276 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000834880808 637976697 /nfs/dbraw/zinc/97/66/97/637976697.db2.gz ROJLTCSPXNBOSX-WOSRLPQWSA-N 1 0 279.380 2.403 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccccc1O ZINC000834880661 637977234 /nfs/dbraw/zinc/97/72/34/637977234.db2.gz ASQCXFWDNHIMPA-TYNCELHUSA-N 1 0 265.353 2.094 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC000834888021 637978643 /nfs/dbraw/zinc/97/86/43/637978643.db2.gz CIVVIWWLSSGBLZ-KFWWJZLASA-N 1 0 290.407 2.214 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000834906877 637983641 /nfs/dbraw/zinc/98/36/41/637983641.db2.gz IRMJHVOAVOLQAY-SQWLQELKSA-N 1 0 289.423 2.447 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c(O)c1C ZINC000834906752 637983908 /nfs/dbraw/zinc/98/39/08/637983908.db2.gz GXXWTSCTZOWAOR-RWMBFGLXSA-N 1 0 276.380 2.314 20 10 CECDRO CCN(C/C=C/c1ccc(N(C)C)cc1)CC(=O)OC ZINC000835024884 638029089 /nfs/dbraw/zinc/02/90/89/638029089.db2.gz AKMCOABEFYVPTB-VOTSOKGWSA-N 1 0 276.380 2.261 20 10 CECDRO CO[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835028506 638030991 /nfs/dbraw/zinc/03/09/91/638030991.db2.gz KVDDAKLRBVPNML-APHBUQMISA-N 1 0 260.381 2.487 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCN2CCCC2)cc1 ZINC000835043044 638034773 /nfs/dbraw/zinc/03/47/73/638034773.db2.gz OKLHIKIEDMIYRS-WAYWQWQTSA-N 1 0 273.424 2.451 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(C)OCCO2)cc1 ZINC000835041410 638034847 /nfs/dbraw/zinc/03/48/47/638034847.db2.gz LKKIMBPJAHDNGN-PLNGDYQASA-N 1 0 276.380 2.118 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCNc2cnccn2)cc1 ZINC000835043652 638034923 /nfs/dbraw/zinc/03/49/23/638034923.db2.gz UASUAZSKKHFKIT-ONEGZZNKSA-N 1 0 297.406 2.258 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2cnccn2)cc1 ZINC000835043233 638035013 /nfs/dbraw/zinc/03/50/13/638035013.db2.gz RGSMGYWAOPBIFM-ONEGZZNKSA-N 1 0 282.391 2.388 20 10 CECDRO COC[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)OC ZINC000835046985 638037669 /nfs/dbraw/zinc/03/76/69/638037669.db2.gz BGJQTKKBNPKEOP-JFDDCEBESA-N 1 0 278.396 2.017 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCc2ccn(C)n2)cc1 ZINC000835047997 638038564 /nfs/dbraw/zinc/03/85/64/638038564.db2.gz XQCQYROEPYBLHM-SNAWJCMRSA-N 1 0 284.407 2.332 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@H+](C)CCCCO)cc1 ZINC000835049494 638038786 /nfs/dbraw/zinc/03/87/86/638038786.db2.gz GKHOCWVJUGSHGA-SREVYHEPSA-N 1 0 262.397 2.470 20 10 CECDRO C[C@@H]1C[C@H](O)C[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835050629 638039494 /nfs/dbraw/zinc/03/94/94/638039494.db2.gz QQEULYGWFKFGEF-DUIDPNDXSA-N 1 0 260.381 2.221 20 10 CECDRO C[C@@H]1C[C@H](O)C[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835054036 638041190 /nfs/dbraw/zinc/04/11/90/638041190.db2.gz GVSMSNYHIYLSNI-DSLFPGPSSA-N 1 0 274.408 2.469 20 10 CECDRO COCC[C@H](COC)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835056018 638041942 /nfs/dbraw/zinc/04/19/42/638041942.db2.gz RCCIMPAHGVNRDG-SQRWCISFSA-N 1 0 292.423 2.407 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)cc1 ZINC000835061723 638045062 /nfs/dbraw/zinc/04/50/62/638045062.db2.gz NLBWEEFODPRTMN-KRWDZBQOSA-N 1 0 289.423 2.291 20 10 CECDRO O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C[C@H]2CCCCN12 ZINC000835074282 638048607 /nfs/dbraw/zinc/04/86/07/638048607.db2.gz RIRYXUHCRIWKOR-OLZOCXBDSA-N 1 0 294.782 2.289 20 10 CECDRO CCNC(=O)C(C)(C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835076610 638049603 /nfs/dbraw/zinc/04/96/03/638049603.db2.gz SNCGDNGMGAGOHR-FPLPWBNLSA-N 1 0 289.423 2.270 20 10 CECDRO CCOc1ccc(N(C)C(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000876674175 650393753 /nfs/dbraw/zinc/39/37/53/650393753.db2.gz CEHHLNRMSHRNLJ-GFCCVEGCSA-N 1 0 260.337 2.096 20 10 CECDRO Cc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)c(O)c1 ZINC000876690887 650401581 /nfs/dbraw/zinc/40/15/81/650401581.db2.gz UOOKBNSFZXJRHT-UHFFFAOYSA-N 1 0 288.391 2.287 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000876715136 650408467 /nfs/dbraw/zinc/40/84/67/650408467.db2.gz JLEHGVVYQUZWNV-CQSZACIVSA-N 1 0 288.391 2.287 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(O)c1 ZINC000876806930 650440645 /nfs/dbraw/zinc/44/06/45/650440645.db2.gz WHDYAVMKKBNUQC-JKSUJKDBSA-N 1 0 277.364 2.080 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]([NH3+])CCC(C)C)c1 ZINC000876878736 650469715 /nfs/dbraw/zinc/46/97/15/650469715.db2.gz JTGSRCXDJOOZKG-RISCZKNCSA-N 1 0 294.395 2.342 20 10 CECDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCc2c1cccc2F ZINC000876881581 650471539 /nfs/dbraw/zinc/47/15/39/650471539.db2.gz KGODNTUITAXIEU-ZHRWSRJISA-N 1 0 274.339 2.271 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)c1 ZINC000044684596 639352347 /nfs/dbraw/zinc/35/23/47/639352347.db2.gz KKJKXXVIDBPJAT-RYUDHWBXSA-N 1 0 276.380 2.288 20 10 CECDRO Cc1ccc(C[NH2+]Cc2cccnc2N(C)C)c(O)c1 ZINC000876928574 650489488 /nfs/dbraw/zinc/48/94/88/650489488.db2.gz JGFHWYOROJPABW-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO COc1cc(C)nc(C[NH2+]Cc2ccccc2O)c1 ZINC000165380630 639425256 /nfs/dbraw/zinc/42/52/56/639425256.db2.gz FTRHZNWUOIRYRY-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)C2(C[NH3+])CCCC2)cc1 ZINC000165556875 639434397 /nfs/dbraw/zinc/43/43/97/639434397.db2.gz JZMXZWATVCFQGK-UHFFFAOYSA-N 1 0 289.423 2.230 20 10 CECDRO COCC[C@](C)(O)C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840897576 639576356 /nfs/dbraw/zinc/57/63/56/639576356.db2.gz MFXLHRDBGNFWJI-AWEZNQCLSA-N 1 0 287.787 2.231 20 10 CECDRO Cc1cc(O)c(CN2CC[NH+](C)CC2)c(Cl)c1 ZINC000840907348 639581108 /nfs/dbraw/zinc/58/11/08/639581108.db2.gz CZKXVIXGIQKJFY-UHFFFAOYSA-N 1 0 254.761 2.101 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000840911906 639582630 /nfs/dbraw/zinc/58/26/30/639582630.db2.gz CKGSCMMNRFWTFA-MRXNPFEDSA-N 1 0 289.423 2.291 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000840915017 639584420 /nfs/dbraw/zinc/58/44/20/639584420.db2.gz ZADCHUBGMXVOEH-INIZCTEOSA-N 1 0 289.423 2.017 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCSC[C@H]1CCO ZINC000840919836 639585334 /nfs/dbraw/zinc/58/53/34/639585334.db2.gz POBXYGJWLKMEEL-MRXNPFEDSA-N 1 0 294.464 2.361 20 10 CECDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936271 639590926 /nfs/dbraw/zinc/59/09/26/639590926.db2.gz HYNJZFZFWNNGGL-UONOGXRCSA-N 1 0 291.439 2.454 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)C(C)C ZINC000840933839 639591148 /nfs/dbraw/zinc/59/11/48/639591148.db2.gz IOSDNKSFDXQAAZ-HNNXBMFYSA-N 1 0 250.386 2.168 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CO[C@H]1CCOC1 ZINC000840936802 639591242 /nfs/dbraw/zinc/59/12/42/639591242.db2.gz GOZKOPSYGHIFQM-YOEHRIQHSA-N 1 0 292.423 2.345 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000840938202 639592836 /nfs/dbraw/zinc/59/28/36/639592836.db2.gz LTLUDTHOGDUNBF-BBRMVZONSA-N 1 0 262.397 2.264 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840939584 639593987 /nfs/dbraw/zinc/59/39/87/639593987.db2.gz ZKKGNOMOUFUXKD-UHFFFAOYSA-N 1 0 290.407 2.494 20 10 CECDRO CCN1CCC[N@H+](Cc2ccc(N(C)C)cc2C)CC1=O ZINC000840942334 639594927 /nfs/dbraw/zinc/59/49/27/639594927.db2.gz ZMDMFWIDASAYLT-UHFFFAOYSA-N 1 0 289.423 2.115 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH+]1CC(O)(C(C)C)C1 ZINC000840953753 639598736 /nfs/dbraw/zinc/59/87/36/639598736.db2.gz YPNOACSBCXJMPL-UHFFFAOYSA-N 1 0 262.397 2.264 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc1OC ZINC000840963973 639602440 /nfs/dbraw/zinc/60/24/40/639602440.db2.gz PSINRNLSTQPAPH-SRVKXCTJSA-N 1 0 295.379 2.313 20 10 CECDRO CO[C@](C)([C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000840961773 639602674 /nfs/dbraw/zinc/60/26/74/639602674.db2.gz ZEDCBUQRMFPLNL-MGPLVRAMSA-N 1 0 293.363 2.414 20 10 CECDRO Cc1ncc(CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000841042495 639629660 /nfs/dbraw/zinc/62/96/60/639629660.db2.gz KVELKTKLGQVXLY-HNNXBMFYSA-N 1 0 290.436 2.307 20 10 CECDRO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCSC2)cc1 ZINC000841044554 639630753 /nfs/dbraw/zinc/63/07/53/639630753.db2.gz CZILCHZNYSYMBF-DZGCQCFKSA-N 1 0 279.453 2.238 20 10 CECDRO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCSC2)cc1 ZINC000841044556 639631340 /nfs/dbraw/zinc/63/13/40/639631340.db2.gz CZILCHZNYSYMBF-UKRRQHHQSA-N 1 0 279.453 2.238 20 10 CECDRO COc1cc(Cl)cc(CN[C@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841059174 639636807 /nfs/dbraw/zinc/63/68/07/639636807.db2.gz LZRFHCVFRABZOR-SKDRFNHKSA-N 1 0 284.787 2.142 20 10 CECDRO C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841065228 639641322 /nfs/dbraw/zinc/64/13/22/639641322.db2.gz ZFOQCLZYMSMPLK-CABZTGNLSA-N 1 0 254.761 2.133 20 10 CECDRO COc1ccc(CN[C@@H]2C[NH2+]CCC2(F)F)cc1C ZINC000841075652 639646142 /nfs/dbraw/zinc/64/61/42/639646142.db2.gz UELLQKUIRFXWPX-CYBMUJFWSA-N 1 0 270.323 2.090 20 10 CECDRO F[C@@H]1CN[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000841079650 639648386 /nfs/dbraw/zinc/64/83/86/639648386.db2.gz NZKSBJZQTYGKOF-HOTGVXAUSA-N 1 0 291.414 2.467 20 10 CECDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000228929751 639665919 /nfs/dbraw/zinc/66/59/19/639665919.db2.gz ILNVPJBTZVLAEC-STQMWFEESA-N 1 0 277.412 2.316 20 10 CECDRO COC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000876996888 650525298 /nfs/dbraw/zinc/52/52/98/650525298.db2.gz HHRBYYIRVKFDFM-LBPRGKRZSA-N 1 0 278.352 2.021 20 10 CECDRO CO[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CCOCC1 ZINC000876995300 650524151 /nfs/dbraw/zinc/52/41/51/650524151.db2.gz DJKAMKRBMOUNOR-QGZVFWFLSA-N 1 0 291.391 2.153 20 10 CECDRO COc1ccc(C[NH2+]CCc2ccn(C)n2)cc1C ZINC000230882524 639798005 /nfs/dbraw/zinc/79/80/05/639798005.db2.gz SQCQXOBSIFYREM-UHFFFAOYSA-N 1 0 259.353 2.069 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]Cc2cnn(C)c2C)c1O ZINC000230935464 639805069 /nfs/dbraw/zinc/80/50/69/639805069.db2.gz ZPWHHQFYCTZCOU-UHFFFAOYSA-N 1 0 295.770 2.386 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000841716953 639848392 /nfs/dbraw/zinc/84/83/92/639848392.db2.gz HKAHXGUVKAOTAE-CHWSQXEVSA-N 1 0 292.427 2.068 20 10 CECDRO C[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(Cl)cc1O ZINC000841748369 639856539 /nfs/dbraw/zinc/85/65/39/639856539.db2.gz XBISIOMNDISBJQ-VXGBXAGGSA-N 1 0 298.814 2.417 20 10 CECDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)OC ZINC000841755003 639858273 /nfs/dbraw/zinc/85/82/73/639858273.db2.gz XHTWKQXWUULLOT-MWLCHTKSSA-N 1 0 273.760 2.358 20 10 CECDRO CC[NH2+][C@H](C)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841881774 639898297 /nfs/dbraw/zinc/89/82/97/639898297.db2.gz UTFQUKZYUCBPRX-CHWSQXEVSA-N 1 0 292.427 2.111 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[NH3+] ZINC000841968599 639913260 /nfs/dbraw/zinc/91/32/60/639913260.db2.gz BKSUNKNBAMUGHF-GFCCVEGCSA-N 1 0 279.384 2.051 20 10 CECDRO CC[C@@H]([NH3+])CNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000842008291 639918275 /nfs/dbraw/zinc/91/82/75/639918275.db2.gz TUJYZAROCQHSMQ-CQSZACIVSA-N 1 0 292.427 2.021 20 10 CECDRO CC[C@@H](C[NH+]1CCN(c2ccc(OC)cc2)CC1)OC ZINC000842146939 639965820 /nfs/dbraw/zinc/96/58/20/639965820.db2.gz FMRUTPUTVIUORV-HNNXBMFYSA-N 1 0 278.396 2.242 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(C)CCCO2)c1 ZINC000152936369 639999970 /nfs/dbraw/zinc/99/99/70/639999970.db2.gz JNJDJVQGFRWSBH-HNNXBMFYSA-N 1 0 265.353 2.450 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(O)c1 ZINC000877049537 650548312 /nfs/dbraw/zinc/54/83/12/650548312.db2.gz GRFFXTQBOZMGMA-UONOGXRCSA-N 1 0 297.420 2.146 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c1O ZINC000842478595 640078432 /nfs/dbraw/zinc/07/84/32/640078432.db2.gz LDCOACARPABGLJ-GWCFXTLKSA-N 1 0 294.370 2.151 20 10 CECDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000842674454 640145865 /nfs/dbraw/zinc/14/58/65/640145865.db2.gz PIYADFCZDMCMRO-IJEWVQPXSA-N 1 0 290.407 2.351 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@@H]([NH2+]C)C2)cc1F ZINC000843045561 640250608 /nfs/dbraw/zinc/25/06/08/640250608.db2.gz VDFUEQLOZNJKGN-CQSZACIVSA-N 1 0 279.403 2.466 20 10 CECDRO CCOc1ccc(CN2CCCC[C@H]2[C@@H](C)[NH3+])c(O)c1 ZINC000843045862 640251552 /nfs/dbraw/zinc/25/15/52/640251552.db2.gz LHTNHQJKIBBPQM-DOMZBBRYSA-N 1 0 278.396 2.493 20 10 CECDRO C[NH2+][C@H]1CCCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000843048711 640253425 /nfs/dbraw/zinc/25/34/25/640253425.db2.gz SCICYKBCCSHVCK-HNNXBMFYSA-N 1 0 261.413 2.245 20 10 CECDRO CCOc1ccc(O)c(CN2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000843051751 640254786 /nfs/dbraw/zinc/25/47/86/640254786.db2.gz LJUHNVOYJRBRIY-DOMZBBRYSA-N 1 0 278.396 2.350 20 10 CECDRO C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000843056878 640260179 /nfs/dbraw/zinc/26/01/79/640260179.db2.gz BIJRZTCMVKMMQT-BDAKNGLRSA-N 1 0 272.751 2.354 20 10 CECDRO Cc1cccc(CN2CC[NH2+]C[C@@H]2c2cccnc2)c1O ZINC000843114706 640285727 /nfs/dbraw/zinc/28/57/27/640285727.db2.gz GBCPGIYRRZOTAH-MRXNPFEDSA-N 1 0 283.375 2.242 20 10 CECDRO Cc1cc(Br)cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC000843120542 640289423 /nfs/dbraw/zinc/28/94/23/640289423.db2.gz PCSGUYIKDKKTQX-BXKDBHETSA-N 1 0 299.212 2.242 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CC[NH2+]C[C@H]2C(F)F)cc1 ZINC000843124434 640290378 /nfs/dbraw/zinc/29/03/78/640290378.db2.gz AGRQTPWIJWHIIU-JZIMQPMSSA-N 1 0 295.377 2.305 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000843125262 640292299 /nfs/dbraw/zinc/29/22/99/640292299.db2.gz QCDUTWJWKMUBHM-MRXNPFEDSA-N 1 0 279.403 2.194 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c(O)c1 ZINC000843129872 640296431 /nfs/dbraw/zinc/29/64/31/640296431.db2.gz SHIIGFHECYENIL-WDEREUQCSA-N 1 0 252.358 2.006 20 10 CECDRO C[C@@H]([NH3+])CN1CCCc2cc(OC(F)F)ccc21 ZINC000843358794 640402620 /nfs/dbraw/zinc/40/26/20/640402620.db2.gz OXSVWGJXVCGUNN-SECBINFHSA-N 1 0 256.296 2.388 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000153157240 640410587 /nfs/dbraw/zinc/41/05/87/640410587.db2.gz KNWPPZISFUBDKX-GASCZTMLSA-N 1 0 262.397 2.393 20 10 CECDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000843426819 640426854 /nfs/dbraw/zinc/42/68/54/640426854.db2.gz BKEJVTOAEPWHCS-DGCLKSJQSA-N 1 0 297.395 2.296 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000843427960 640427057 /nfs/dbraw/zinc/42/70/57/640427057.db2.gz DSYJJFPNRFWJCG-OAHLLOKOSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCN(c3ccccn3)C2)c(O)c1 ZINC000877121222 650581650 /nfs/dbraw/zinc/58/16/50/650581650.db2.gz LTETXLBSQDXVKB-HNNXBMFYSA-N 1 0 283.375 2.464 20 10 CECDRO C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc(F)cc(F)c1[O-] ZINC000844921689 640866201 /nfs/dbraw/zinc/86/62/01/640866201.db2.gz RKNRTPPCFLZPMH-VIFPVBQESA-N 1 0 270.323 2.450 20 10 CECDRO C[C@H](CC[NH+](C)C)NC(=O)NCc1cc(Cl)ccc1O ZINC000844932080 640868744 /nfs/dbraw/zinc/86/87/44/640868744.db2.gz CAHIUHKQNOMNIR-SNVBAGLBSA-N 1 0 299.802 2.185 20 10 CECDRO CC[C@H]([NH2+]Cc1cnn(CC)n1)c1ccccc1O ZINC000845991282 641145914 /nfs/dbraw/zinc/14/59/14/641145914.db2.gz AKSVUIDUHYCYDC-ZDUSSCGKSA-N 1 0 260.341 2.245 20 10 CECDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000846019519 641154549 /nfs/dbraw/zinc/15/45/49/641154549.db2.gz ZRFRHRURFPBZRN-FZMZJTMJSA-N 1 0 267.369 2.288 20 10 CECDRO CCN1C[C@@H](C[NH2+]Cc2c(O)cc(C)cc2Cl)CC1=O ZINC000846090966 641177369 /nfs/dbraw/zinc/17/73/69/641177369.db2.gz GZCKVKUZXWYBIJ-LLVKDONJSA-N 1 0 296.798 2.312 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)CCF)cc1 ZINC000846095530 641179328 /nfs/dbraw/zinc/17/93/28/641179328.db2.gz AYMUFICFTPSWRF-CQSZACIVSA-N 1 0 268.376 2.343 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@@]2(O)CCCOC2)c(Cl)c1 ZINC000846106285 641183758 /nfs/dbraw/zinc/18/37/58/641183758.db2.gz DSSQDNFQUGCMII-HNNXBMFYSA-N 1 0 299.798 2.375 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846142689 641199022 /nfs/dbraw/zinc/19/90/22/641199022.db2.gz GKWNAMWIRJJTKL-VXGBXAGGSA-N 1 0 294.395 2.356 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)CCO)c1O ZINC000846149127 641202714 /nfs/dbraw/zinc/20/27/14/641202714.db2.gz VZZVNLFLUAZHNG-MNOVXSKESA-N 1 0 253.342 2.070 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](CCO)C(C)C)c1O ZINC000846149430 641203331 /nfs/dbraw/zinc/20/33/31/641203331.db2.gz ZJDSCKZRVMVWIQ-YPMHNXCESA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1O ZINC000846156310 641205545 /nfs/dbraw/zinc/20/55/45/641205545.db2.gz DIZRAMLHOFOELZ-SRVKXCTJSA-N 1 0 265.353 2.355 20 10 CECDRO COc1cccc([C@H](C)[NH2+]Cc2cc(C)ncn2)c1O ZINC000846157958 641206682 /nfs/dbraw/zinc/20/66/82/641206682.db2.gz QBANTBPXAGZACO-NSHDSACASA-N 1 0 273.336 2.350 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCCCCO)c1O ZINC000846166606 641209721 /nfs/dbraw/zinc/20/97/21/641209721.db2.gz AWZZSDPYGYPTBW-LLVKDONJSA-N 1 0 253.342 2.214 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2OC)c1O ZINC000846170738 641211719 /nfs/dbraw/zinc/21/17/19/641211719.db2.gz ZFANGVDXMVWEAY-SLEUVZQESA-N 1 0 295.379 2.103 20 10 CECDRO CC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(C)cc1O ZINC000846187509 641215955 /nfs/dbraw/zinc/21/59/55/641215955.db2.gz ANALSRYRDFMGNL-LOWVWBTDSA-N 1 0 262.353 2.005 20 10 CECDRO CN(C)C(C)(C)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921475685 641290465 /nfs/dbraw/zinc/29/04/65/641290465.db2.gz GCBPKKGXKQUNEP-UHFFFAOYSA-N 1 0 262.397 2.441 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@H](C)C(C)C)c1 ZINC000182406083 641655600 /nfs/dbraw/zinc/65/56/00/641655600.db2.gz MTXOGXRCCGHPTO-NEPJUHHUSA-N 1 0 294.395 2.212 20 10 CECDRO C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccccc1O ZINC000183602761 641770182 /nfs/dbraw/zinc/77/01/82/641770182.db2.gz FBXJBYUWLHHKHH-NSHDSACASA-N 1 0 285.409 2.256 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2(C)OCCO2)c1 ZINC000183893728 641810927 /nfs/dbraw/zinc/81/09/27/641810927.db2.gz QWBWRLPZPYHCFV-LLVKDONJSA-N 1 0 281.352 2.205 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CN(C(C)=O)CC2(C)C)cc1C ZINC000995304361 641877907 /nfs/dbraw/zinc/87/79/07/641877907.db2.gz UCZPNZGCDLMPMV-MRXNPFEDSA-N 1 0 290.407 2.350 20 10 CECDRO CCOC(=O)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000081545515 641903089 /nfs/dbraw/zinc/90/30/89/641903089.db2.gz SWHUHZPZRLVYAC-NSHDSACASA-N 1 0 251.326 2.386 20 10 CECDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1=CC(=O)CS1 ZINC000848392139 641975273 /nfs/dbraw/zinc/97/52/73/641975273.db2.gz VIJOFVITTRAPGC-RYUDHWBXSA-N 1 0 280.393 2.200 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cc3n(n2)CCCC3)c1 ZINC000848535016 642040776 /nfs/dbraw/zinc/04/07/76/642040776.db2.gz AQZYWJOXLJGQST-UHFFFAOYSA-N 1 0 287.363 2.223 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(N(C)C)cc1 ZINC000848563996 642056297 /nfs/dbraw/zinc/05/62/97/642056297.db2.gz GKWZWYMDUCOYIS-TZMCWYRMSA-N 1 0 299.422 2.089 20 10 CECDRO CCC1(CO)CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000769469488 642135161 /nfs/dbraw/zinc/13/51/61/642135161.db2.gz ZEKHQDFAXPAZAT-UHFFFAOYSA-N 1 0 279.380 2.385 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@H](C)[C@@H]2C)cc1OC ZINC000816648689 642162022 /nfs/dbraw/zinc/16/20/22/642162022.db2.gz NOZVOTPBVISFNM-UWVGGRQHSA-N 1 0 251.326 2.250 20 10 CECDRO CCc1cccc(C[NH+]2CCC(N(C)C(C)=O)CC2)c1O ZINC000848883648 642168823 /nfs/dbraw/zinc/16/88/23/642168823.db2.gz PNSIUQXJZUPMRD-UHFFFAOYSA-N 1 0 290.407 2.397 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](CO)Cc2ccco2)c1O ZINC000848898442 642178404 /nfs/dbraw/zinc/17/84/04/642178404.db2.gz CMTCCTPLHGEQHG-ZDUSSCGKSA-N 1 0 289.375 2.488 20 10 CECDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cccc(CC)c2O)C1 ZINC000848903156 642181766 /nfs/dbraw/zinc/18/17/66/642181766.db2.gz NONVRGRCDABQDB-CQSZACIVSA-N 1 0 292.379 2.275 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O ZINC000848905805 642183233 /nfs/dbraw/zinc/18/32/33/642183233.db2.gz OKRVOMPNYNQXHA-QEJZJMRPSA-N 1 0 288.391 2.040 20 10 CECDRO CCc1cccc(C[N@H+](CCOC)[C@H]2CCOC2)c1O ZINC000848906941 642183982 /nfs/dbraw/zinc/18/39/82/642183982.db2.gz FLJMYJJLZWJKKY-HNNXBMFYSA-N 1 0 279.380 2.192 20 10 CECDRO C[C@@H](O)C[N@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000848928836 642198801 /nfs/dbraw/zinc/19/88/01/642198801.db2.gz PBTCRSWFHGNEEV-SECBINFHSA-N 1 0 255.745 2.391 20 10 CECDRO C[C@H](Cn1ccnc1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921527832 642206906 /nfs/dbraw/zinc/20/69/06/642206906.db2.gz OWRPOAOQFASDLS-CYBMUJFWSA-N 1 0 271.364 2.386 20 10 CECDRO COc1ccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)c(O)c1 ZINC000849025151 642238594 /nfs/dbraw/zinc/23/85/94/642238594.db2.gz QBXRPYUKGBDTTC-LLVKDONJSA-N 1 0 277.368 2.157 20 10 CECDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)Cn1cncn1 ZINC000877477752 650739905 /nfs/dbraw/zinc/73/99/05/650739905.db2.gz GVWGCPGFOYLMCV-CYBMUJFWSA-N 1 0 273.384 2.042 20 10 CECDRO CS(=O)(=O)C1(C[NH2+]Cc2ccccc2O)CCCCC1 ZINC000850376702 642689485 /nfs/dbraw/zinc/68/94/85/642689485.db2.gz KRTSSMICPGVCCR-UHFFFAOYSA-N 1 0 297.420 2.229 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000850388678 642695599 /nfs/dbraw/zinc/69/55/99/642695599.db2.gz OSLIUMBXDBTBBS-QWHCGFSZSA-N 1 0 267.756 2.439 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCOC1(C)C ZINC000850409071 642703615 /nfs/dbraw/zinc/70/36/15/642703615.db2.gz JPCFJLSGEFTJJG-LLVKDONJSA-N 1 0 265.353 2.306 20 10 CECDRO CON(C)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000850477459 642724751 /nfs/dbraw/zinc/72/47/51/642724751.db2.gz GVQMCJWIBLECKB-SNVBAGLBSA-N 1 0 272.776 2.498 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)c1ccccc1O ZINC000850485160 642728591 /nfs/dbraw/zinc/72/85/91/642728591.db2.gz YCDBVEORJZBNSN-IVMMDQJWSA-N 1 0 279.380 2.484 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCCOCC3)C2)cc1 ZINC000850487732 642730109 /nfs/dbraw/zinc/73/01/09/642730109.db2.gz JDAKHUOHCKMDBI-LSDHHAIUSA-N 1 0 290.407 2.433 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ncc[nH]3)C2)cc1 ZINC000850489734 642730675 /nfs/dbraw/zinc/73/06/75/642730675.db2.gz WNNZYBOHZUTBLZ-CHWSQXEVSA-N 1 0 286.379 2.348 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCOC[C@H]3C)C2)cc1 ZINC000850489388 642730978 /nfs/dbraw/zinc/73/09/78/642730978.db2.gz SUKPMRCEJXXAGN-KEYYUXOJSA-N 1 0 290.407 2.289 20 10 CECDRO C[C@H]([NH2+]C/C=C/CO)c1cc(Br)ccc1O ZINC000850507857 642734954 /nfs/dbraw/zinc/73/49/54/642734954.db2.gz IJRGBSFOLWUEFH-HPOULIHZSA-N 1 0 286.169 2.354 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(Br)cc1O ZINC000850578270 642756218 /nfs/dbraw/zinc/75/62/18/642756218.db2.gz IVBQDXXDKDEVHR-HGNGGELXSA-N 1 0 286.169 2.329 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)c(O)c1 ZINC000877568640 650793279 /nfs/dbraw/zinc/79/32/79/650793279.db2.gz TVQFBVOIMJBHBP-CQSZACIVSA-N 1 0 297.420 2.100 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(O)c1 ZINC000877572351 650795173 /nfs/dbraw/zinc/79/51/73/650795173.db2.gz POSWPTJTBBYQKD-WCQYABFASA-N 1 0 289.297 2.446 20 10 CECDRO CN(CC(=O)Nc1ccccc1)Cc1ccccc1O ZINC000109771932 642925199 /nfs/dbraw/zinc/92/51/99/642925199.db2.gz GRGFBYJROMZEOA-UHFFFAOYSA-N 1 0 270.332 2.463 20 10 CECDRO C[N@H+](Cc1cc(=O)n2ccccc2n1)Cc1ccccc1O ZINC000109772867 642926164 /nfs/dbraw/zinc/92/61/64/642926164.db2.gz ZYSLATKOFWTDIO-UHFFFAOYSA-N 1 0 295.342 2.032 20 10 CECDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCC2 ZINC000922249008 642979564 /nfs/dbraw/zinc/97/95/64/642979564.db2.gz MJQRSZLBYXPCSQ-CVEARBPZSA-N 1 0 273.376 2.405 20 10 CECDRO COc1ccc(N2CC[NH+]([C@@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000851713331 643121141 /nfs/dbraw/zinc/12/11/41/643121141.db2.gz BJSZUWGILIISLK-GDBMZVCRSA-N 1 0 290.407 2.385 20 10 CECDRO CCN1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1=O ZINC000922638028 643171822 /nfs/dbraw/zinc/17/18/22/643171822.db2.gz CQHKMQLTMDLQMZ-HNNXBMFYSA-N 1 0 288.391 2.112 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000877629338 650822527 /nfs/dbraw/zinc/82/25/27/650822527.db2.gz TXMSDVDUXIKXGN-MRXNPFEDSA-N 1 0 261.365 2.438 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c(O)c1 ZINC000877629576 650822633 /nfs/dbraw/zinc/82/26/33/650822633.db2.gz VYYSQCRUTAZZFE-INIZCTEOSA-N 1 0 261.365 2.438 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000877657035 650837263 /nfs/dbraw/zinc/83/72/63/650837263.db2.gz FUVNZCCTSXUOFJ-GFCCVEGCSA-N 1 0 253.317 2.261 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000852502082 643447164 /nfs/dbraw/zinc/44/71/64/643447164.db2.gz ZJHRRNMIPRLEST-KRWDZBQOSA-N 1 0 274.408 2.490 20 10 CECDRO Cc1cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)ccc1N(C)C ZINC000852580182 643480468 /nfs/dbraw/zinc/48/04/68/643480468.db2.gz BGDZMXLUBGIDMA-CVEARBPZSA-N 1 0 274.408 2.454 20 10 CECDRO CN(Cc1ccccc1O)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000852816978 643563165 /nfs/dbraw/zinc/56/31/65/643563165.db2.gz LWBUJQYORFGWQZ-UHFFFAOYSA-N 1 0 274.364 2.025 20 10 CECDRO Cc1ccc2c(c1)O[C@H](C)CN2C(=O)C=C1CC[NH2+]CC1 ZINC000852841678 643573553 /nfs/dbraw/zinc/57/35/53/643573553.db2.gz IRFSNBRVPOOGCP-CYBMUJFWSA-N 1 0 286.375 2.419 20 10 CECDRO CC[C@@]1(O)CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000877691698 650853133 /nfs/dbraw/zinc/85/31/33/650853133.db2.gz SRBSERKBYNHHTO-OAHLLOKOSA-N 1 0 265.353 2.138 20 10 CECDRO COc1ccc(N(C)CCC[NH2+]C2CC2)cc1OC ZINC000923308505 643657193 /nfs/dbraw/zinc/65/71/93/643657193.db2.gz KTXBYZIUILKDNK-UHFFFAOYSA-N 1 0 264.369 2.282 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1N(C)C ZINC000923392225 643691427 /nfs/dbraw/zinc/69/14/27/643691427.db2.gz ITRCPSYPQKBMEU-HIFRSBDPSA-N 1 0 261.413 2.373 20 10 CECDRO Cn1nnc2cc(C[N@@H+]3Cc4cccc(O)c4C3)ccc21 ZINC000877703143 650859187 /nfs/dbraw/zinc/85/91/87/650859187.db2.gz SZZCMERJRCQJOA-UHFFFAOYSA-N 1 0 280.331 2.190 20 10 CECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C2 ZINC000877723065 650871155 /nfs/dbraw/zinc/87/11/55/650871155.db2.gz ROAPKZUUXUBRKC-KEYYUXOJSA-N 1 0 289.375 2.435 20 10 CECDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(F)ccc3O)CC[C@@H]21 ZINC000877740973 650883834 /nfs/dbraw/zinc/88/38/34/650883834.db2.gz LQCKYKDOHHGJFE-FZMZJTMJSA-N 1 0 264.344 2.057 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cnc(C3CC3)nc2)c1 ZINC000838946232 644078774 /nfs/dbraw/zinc/07/87/74/644078774.db2.gz BYSOMNSPMIVVQN-UHFFFAOYSA-N 1 0 285.347 2.358 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)[C@H]1SC ZINC000838948543 644079659 /nfs/dbraw/zinc/07/96/59/644079659.db2.gz UDVCEJSMYQOADF-NWANDNLSSA-N 1 0 297.420 2.399 20 10 CECDRO COc1ccc(O)c(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c1 ZINC000877751243 650893232 /nfs/dbraw/zinc/89/32/32/650893232.db2.gz ZPIXILFBCRGALP-OAHLLOKOSA-N 1 0 278.396 2.173 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@H](O)CC(C)(C)C2)cc1OC ZINC000877752156 650895977 /nfs/dbraw/zinc/89/59/77/650895977.db2.gz NWQZHSDYXKDSJB-GFCCVEGCSA-N 1 0 295.379 2.002 20 10 CECDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1O)[C@H]1CCOC1 ZINC000877755579 650898830 /nfs/dbraw/zinc/89/88/30/650898830.db2.gz GKEYJPUYBQXPCU-XUJVJEKNSA-N 1 0 265.353 2.094 20 10 CECDRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)c1ccccc1O ZINC000877758115 650900009 /nfs/dbraw/zinc/90/00/09/650900009.db2.gz JNEJWZZLYUNATF-AVGNSLFASA-N 1 0 276.380 2.490 20 10 CECDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000877758183 650900150 /nfs/dbraw/zinc/90/01/50/650900150.db2.gz LVXKAIMYSOWZSE-XRRVDJEJSA-N 1 0 263.337 2.240 20 10 CECDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000877777757 650906932 /nfs/dbraw/zinc/90/69/32/650906932.db2.gz DOMXNWDMGLQXTR-JQWIXIFHSA-N 1 0 283.368 2.049 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC[C@H](O)C2CCCC2)c1 ZINC000877778694 650907608 /nfs/dbraw/zinc/90/76/08/650907608.db2.gz RADOWJMDCYHZTN-INIZCTEOSA-N 1 0 279.380 2.432 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)c1 ZINC000877806919 650916720 /nfs/dbraw/zinc/91/67/20/650916720.db2.gz SVFKJDLCNOZKRC-DIOULYMOSA-N 1 0 277.364 2.448 20 10 CECDRO CCOC(=O)[C@@H](C)C1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000877829894 650925442 /nfs/dbraw/zinc/92/54/42/650925442.db2.gz DYXXKLLUIZDWNR-JTQLQIEISA-N 1 0 281.327 2.162 20 10 CECDRO CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756344282 644632095 /nfs/dbraw/zinc/63/20/95/644632095.db2.gz SXLLIYFCAQYRFV-FXPVBKGRSA-N 1 0 253.317 2.440 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCNC2=O)c2c1c(F)ccc2O ZINC000756395818 644643213 /nfs/dbraw/zinc/64/32/13/644643213.db2.gz JJNSDZCZXRILHF-YUSALJHKSA-N 1 0 292.354 2.338 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1COCCO1)c1cc(Cl)ccc1O ZINC000756434958 644648650 /nfs/dbraw/zinc/64/86/50/644648650.db2.gz RXLKDBZFEPZWGB-KOLCDFICSA-N 1 0 271.744 2.112 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COCC2CC2)c1 ZINC000756511934 644656978 /nfs/dbraw/zinc/65/69/78/644656978.db2.gz SLIALROZVLCBKW-GXTWGEPZSA-N 1 0 279.380 2.139 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCOC[C@H]2C)c(O)c1C ZINC000756534462 644659415 /nfs/dbraw/zinc/65/94/15/644659415.db2.gz KVQLKUZPKTXBFG-UKRRQHHQSA-N 1 0 292.423 2.380 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756578586 644671401 /nfs/dbraw/zinc/67/14/01/644671401.db2.gz WXZYXXLMUYNJBH-IUODEOHRSA-N 1 0 267.369 2.057 20 10 CECDRO C[C@@H]([NH2+]CC1(CO)CC1)c1cc(Cl)ccc1O ZINC000756638004 644676626 /nfs/dbraw/zinc/67/66/26/644676626.db2.gz PWJUEBNQSXDABU-SECBINFHSA-N 1 0 255.745 2.469 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CCN2CCC2)c2c1c(F)ccc2O ZINC000756769922 644690343 /nfs/dbraw/zinc/69/03/43/644690343.db2.gz RVRHNZKEOVTUJO-CMPLNLGQSA-N 1 0 264.344 2.375 20 10 CECDRO COC[C@H](O)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756780235 644691033 /nfs/dbraw/zinc/69/10/33/644691033.db2.gz XSJQCOYRFFDSGM-FOGDFJRCSA-N 1 0 283.343 2.067 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c1 ZINC000857061140 644806246 /nfs/dbraw/zinc/80/62/46/644806246.db2.gz KPPBDYZPACLYJW-GXTWGEPZSA-N 1 0 279.380 2.241 20 10 CECDRO C[C@H]([NH2+]Cc1cn(C)nn1)c1cc2c(cc1O)CCCC2 ZINC000757658104 644832824 /nfs/dbraw/zinc/83/28/24/644832824.db2.gz UWWBVXHYGAJUFN-NSHDSACASA-N 1 0 286.379 2.250 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)cc1C ZINC000757911664 644855827 /nfs/dbraw/zinc/85/58/27/644855827.db2.gz YTZZXKQTYSNGSH-UONOGXRCSA-N 1 0 276.380 2.137 20 10 CECDRO CN(C)c1ccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1F ZINC000857225907 644858824 /nfs/dbraw/zinc/85/88/24/644858824.db2.gz AFIKYEQGVHFBQB-CZUORRHYSA-N 1 0 277.387 2.205 20 10 CECDRO Oc1cccc2c1C[C@H]([NH2+]Cc1ccccc1O)C2 ZINC000758560555 644940279 /nfs/dbraw/zinc/94/02/79/644940279.db2.gz MRPGFZHGPXUWLX-CYBMUJFWSA-N 1 0 255.317 2.355 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000759173946 644992452 /nfs/dbraw/zinc/99/24/52/644992452.db2.gz SCHLYNMGHGYLJV-GDBMZVCRSA-N 1 0 296.386 2.175 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000759173948 644992656 /nfs/dbraw/zinc/99/26/56/644992656.db2.gz SCHLYNMGHGYLJV-GOEBONIOSA-N 1 0 296.386 2.175 20 10 CECDRO CN(C)c1cc(F)c(CNCCC[NH+](C)C)cc1F ZINC000858086588 645056114 /nfs/dbraw/zinc/05/61/14/645056114.db2.gz KYNWVHVUMVEQCU-UHFFFAOYSA-N 1 0 271.355 2.072 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C[C@H](O)c2ccco2)cc1F ZINC000858092563 645058421 /nfs/dbraw/zinc/05/84/21/645058421.db2.gz FTKBYMSFBIGFFX-AWEZNQCLSA-N 1 0 296.317 2.447 20 10 CECDRO CN(C)c1cc(F)c(CNC[C@H]2CCC[N@H+](C)C2)cc1F ZINC000858132193 645070567 /nfs/dbraw/zinc/07/05/67/645070567.db2.gz VZURBURXGJJFMY-GFCCVEGCSA-N 1 0 297.393 2.462 20 10 CECDRO CCC[C@@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858134416 645071923 /nfs/dbraw/zinc/07/19/23/645071923.db2.gz BXIVMBMHQCOJIK-LLVKDONJSA-N 1 0 272.339 2.281 20 10 CECDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858194954 645086114 /nfs/dbraw/zinc/08/61/14/645086114.db2.gz MTOIXQVSSKCOQP-KGLIPLIRSA-N 1 0 270.323 2.298 20 10 CECDRO CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc(C)ccc1O ZINC000858276185 645105358 /nfs/dbraw/zinc/10/53/58/645105358.db2.gz RJBXZLRLXYXMMF-CYBMUJFWSA-N 1 0 293.411 2.230 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2C[C@@H](O)C2)cc1 ZINC000858294773 645109425 /nfs/dbraw/zinc/10/94/25/645109425.db2.gz NTVNUTIWUYUSNC-GMCZLCDKSA-N 1 0 260.381 2.126 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1COCCN1C)c1cc(Cl)ccc1O ZINC000858522536 645190501 /nfs/dbraw/zinc/19/05/01/645190501.db2.gz FTRKZNCWEDNIHR-PWSUYJOCSA-N 1 0 284.787 2.027 20 10 CECDRO C[NH+](C)[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000760921071 645210781 /nfs/dbraw/zinc/21/07/81/645210781.db2.gz MFENKIURVKIAQY-SNVBAGLBSA-N 1 0 268.382 2.010 20 10 CECDRO CCOc1ccc(C[N@H+](C)CC2(O)CCC2)c(O)c1 ZINC000761220833 645258906 /nfs/dbraw/zinc/25/89/06/645258906.db2.gz YUZFTFKWIQXJOF-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO CN(C)c1ccc(C[N@H+](CCc2cn(C)nn2)C2CC2)cc1 ZINC000859082134 645354084 /nfs/dbraw/zinc/35/40/84/645354084.db2.gz OODOSFKFJQIHQW-UHFFFAOYSA-N 1 0 299.422 2.088 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)c(O)c1 ZINC000762504697 645422224 /nfs/dbraw/zinc/42/22/24/645422224.db2.gz VTPZCADTXBKAAW-FZMZJTMJSA-N 1 0 265.353 2.306 20 10 CECDRO Cc1cccc(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)c1O ZINC000763491061 645550919 /nfs/dbraw/zinc/55/09/19/645550919.db2.gz MKLUAOLWNWGYEE-KZULUSFZSA-N 1 0 267.394 2.044 20 10 CECDRO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cc(F)ccc1O ZINC000763559463 645557414 /nfs/dbraw/zinc/55/74/14/645557414.db2.gz QPGNUPFHWGBXJE-NHYWBVRUSA-N 1 0 297.370 2.360 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2COCCO2)cc1 ZINC000765251975 645747811 /nfs/dbraw/zinc/74/78/11/645747811.db2.gz QNJDPNJXUJFXGC-BBRMVZONSA-N 1 0 278.396 2.209 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(N(C)C)cc1 ZINC000765250306 645748097 /nfs/dbraw/zinc/74/80/97/645748097.db2.gz JCCMBIGQXUVDHI-HOTGVXAUSA-N 1 0 278.396 2.209 20 10 CECDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@H](O)C(F)(F)F ZINC000765785707 645810220 /nfs/dbraw/zinc/81/02/20/645810220.db2.gz CRXVBHNQZJMXNA-CABZTGNLSA-N 1 0 293.285 2.192 20 10 CECDRO C[C@@H](CO)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000766920975 645937332 /nfs/dbraw/zinc/93/73/32/645937332.db2.gz WUICVIPUOWCRAS-UKRRQHHQSA-N 1 0 279.380 2.002 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000767723303 646034101 /nfs/dbraw/zinc/03/41/01/646034101.db2.gz NFXVEQUPSBBGQW-OAHLLOKOSA-N 1 0 291.322 2.363 20 10 CECDRO CCOC(=O)C1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000768138475 646089766 /nfs/dbraw/zinc/08/97/66/646089766.db2.gz WZOVGUKQMGIELY-UHFFFAOYSA-N 1 0 293.363 2.176 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)c(O)c1 ZINC000768231546 646099064 /nfs/dbraw/zinc/09/90/64/646099064.db2.gz VWCGEQNMOBYWFS-CYBMUJFWSA-N 1 0 293.363 2.176 20 10 CECDRO COc1cc(CN2CCC[C@H]([NH+](C)C)C2)c(O)cc1C ZINC000768446386 646124292 /nfs/dbraw/zinc/12/42/92/646124292.db2.gz NOFGUVBOHGNCJR-AWEZNQCLSA-N 1 0 278.396 2.235 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768462033 646126785 /nfs/dbraw/zinc/12/67/85/646126785.db2.gz ZXHOXVUSMSETRH-VIFPVBQESA-N 1 0 269.728 2.041 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCOC[C@@H]2C)cc1OC ZINC000768462939 646127048 /nfs/dbraw/zinc/12/70/48/646127048.db2.gz OZXQJNNKIPHMGF-NSHDSACASA-N 1 0 281.352 2.020 20 10 CECDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464966 646127732 /nfs/dbraw/zinc/12/77/32/646127732.db2.gz CYFPAXZRQTYXBI-JVLSTEMRSA-N 1 0 277.364 2.438 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCS1 ZINC000768465620 646128397 /nfs/dbraw/zinc/12/83/97/646128397.db2.gz JCRAVYHGFYBPGT-SMDDNHRTSA-N 1 0 295.404 2.145 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768464450 646128616 /nfs/dbraw/zinc/12/86/16/646128616.db2.gz RUQOQPCOMIQUBH-OAHLLOKOSA-N 1 0 261.365 2.492 20 10 CECDRO CCOCC[N@H+](CC)Cc1c(O)cccc1OC ZINC000769138906 646214002 /nfs/dbraw/zinc/21/40/02/646214002.db2.gz CMVZEKQDZVFSSI-UHFFFAOYSA-N 1 0 253.342 2.259 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000769318099 646243929 /nfs/dbraw/zinc/24/39/29/646243929.db2.gz INRCQAYWEVZYMC-NSHDSACASA-N 1 0 251.326 2.012 20 10 CECDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000769935724 646336569 /nfs/dbraw/zinc/33/65/69/646336569.db2.gz PZVCAEINNFBMQK-DSYXLKISSA-N 1 0 266.360 2.308 20 10 CECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000769936075 646337079 /nfs/dbraw/zinc/33/70/79/646337079.db2.gz CYZGVMQQRURFFM-PBKGFPTLSA-N 1 0 255.745 2.462 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCSC[C@@H]2CCO)c1O ZINC000770305714 646377947 /nfs/dbraw/zinc/37/79/47/646377947.db2.gz JIYZEODFKBBEHM-ZDUSSCGKSA-N 1 0 297.420 2.091 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H]1CO ZINC000862425495 646455922 /nfs/dbraw/zinc/45/59/22/646455922.db2.gz YEBQUKAOYPJWKF-AAEUAGOBSA-N 1 0 298.377 2.481 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1CO ZINC000862425497 646456705 /nfs/dbraw/zinc/45/67/05/646456705.db2.gz YEBQUKAOYPJWKF-WCQYABFASA-N 1 0 298.377 2.481 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)[C@@]2(CO)CCOC2)cc1 ZINC000862426802 646456729 /nfs/dbraw/zinc/45/67/29/646456729.db2.gz OZEHLOLRKYVASA-QGZVFWFLSA-N 1 0 292.423 2.116 20 10 CECDRO CCOc1cccc(C[N@H+](C)CC2(C)COC2)c1O ZINC000862477601 646473349 /nfs/dbraw/zinc/47/33/49/646473349.db2.gz NZGJCENQHTYJPC-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@](C)(COC)C2)c1 ZINC000862552374 646496615 /nfs/dbraw/zinc/49/66/15/646496615.db2.gz XGHGPRKGRGYEJN-MRXNPFEDSA-N 1 0 295.379 2.028 20 10 CECDRO CC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862758974 646558891 /nfs/dbraw/zinc/55/88/91/646558891.db2.gz RPZLKGNUUGORCR-AWEZNQCLSA-N 1 0 276.380 2.191 20 10 CECDRO CCO[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000771935085 646572981 /nfs/dbraw/zinc/57/29/81/646572981.db2.gz KTWSIRJLSPGUBZ-GFCCVEGCSA-N 1 0 265.353 2.402 20 10 CECDRO COc1cc(Cl)cc(CN[C@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863485234 646740497 /nfs/dbraw/zinc/74/04/97/646740497.db2.gz WZAIUOALSRAKTD-CABZTGNLSA-N 1 0 284.787 2.284 20 10 CECDRO C[C@@H]1CC[C@@H](NCc2ccc(N(C)C)c(F)c2)C[NH2+]1 ZINC000863484250 646740529 /nfs/dbraw/zinc/74/05/29/646740529.db2.gz IOYIEKYRHGTKBV-DGCLKSJQSA-N 1 0 265.376 2.122 20 10 CECDRO C[C@H]1CC[C@H](NCc2ccc(N(C)C)c(F)c2)C[NH2+]1 ZINC000863484249 646740562 /nfs/dbraw/zinc/74/05/62/646740562.db2.gz IOYIEKYRHGTKBV-AAEUAGOBSA-N 1 0 265.376 2.122 20 10 CECDRO CCN(CC[NH3+])Cc1cc(Cl)cc(C(C)=O)c1O ZINC000863550609 646754565 /nfs/dbraw/zinc/75/45/65/646754565.db2.gz BNKQJBIFEMRLLV-UHFFFAOYSA-N 1 0 270.760 2.029 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H](C)C(=O)OC)cc1 ZINC000773728547 646770370 /nfs/dbraw/zinc/77/03/70/646770370.db2.gz DAUNONBCOULGRR-CYBMUJFWSA-N 1 0 278.396 2.384 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)OC)C2)cc1 ZINC000773729340 646770507 /nfs/dbraw/zinc/77/05/07/646770507.db2.gz JJBLVBHRHIUPAW-AWEZNQCLSA-N 1 0 276.380 2.138 20 10 CECDRO C[C@@H]1[NH2+]CC[C@H]1NC/C=C\c1ccc(N(C)C)cc1 ZINC000863651953 646777826 /nfs/dbraw/zinc/77/78/26/646777826.db2.gz MQWWOWNJFARQPS-WAXTVWTQSA-N 1 0 259.397 2.106 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccnn1C ZINC000774161430 646812089 /nfs/dbraw/zinc/81/20/89/646812089.db2.gz NBGIBFJAXKPGGZ-LLVKDONJSA-N 1 0 257.337 2.206 20 10 CECDRO C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000775402508 646950299 /nfs/dbraw/zinc/95/02/99/646950299.db2.gz DUDLSUAQDJCDGF-XJKSGUPXSA-N 1 0 289.423 2.414 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C(=O)NC)c1ccccc1O ZINC000775523915 646962593 /nfs/dbraw/zinc/96/25/93/646962593.db2.gz BAWQNVOWYZOJAP-HZSPNIEDSA-N 1 0 276.380 2.348 20 10 CECDRO CC[C@H]([NH2+]CCc1nncn1CC)c1ccccc1O ZINC000775522843 646962630 /nfs/dbraw/zinc/96/26/30/646962630.db2.gz BXFMHOSCYKVATD-ZDUSSCGKSA-N 1 0 274.368 2.287 20 10 CECDRO CC[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccccc1O ZINC000775551296 646964963 /nfs/dbraw/zinc/96/49/63/646964963.db2.gz LZNMFBUBJPAWQW-LSDHHAIUSA-N 1 0 279.380 2.220 20 10 CECDRO CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775836172 646997866 /nfs/dbraw/zinc/99/78/66/646997866.db2.gz KDLNASXLACMGQS-ZDUSSCGKSA-N 1 0 277.412 2.272 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)c1 ZINC000775985713 647013185 /nfs/dbraw/zinc/01/31/85/647013185.db2.gz NEYIFYGBNAPILA-CHWSQXEVSA-N 1 0 278.396 2.315 20 10 CECDRO COc1cc(O)c(C[NH2+][C@]2(C)CCCOC2)cc1OC ZINC000777508020 647142996 /nfs/dbraw/zinc/14/29/96/647142996.db2.gz WJJUJKQKZQYHPL-OAHLLOKOSA-N 1 0 281.352 2.068 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000778188551 647207142 /nfs/dbraw/zinc/20/71/42/647207142.db2.gz HSVQDFXBWNDJMI-JTQLQIEISA-N 1 0 277.755 2.347 20 10 CECDRO Cc1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000865296559 647236275 /nfs/dbraw/zinc/23/62/75/647236275.db2.gz ZWLWCDQQWBOJQB-UHFFFAOYSA-N 1 0 297.406 2.149 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000779152976 647292675 /nfs/dbraw/zinc/29/26/75/647292675.db2.gz IQENZDYLVIXXGS-JSGCOSHPSA-N 1 0 279.380 2.384 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@H]2CCO)c1O ZINC000779203148 647298254 /nfs/dbraw/zinc/29/82/54/647298254.db2.gz ZSIJFNOIASWLRP-ZDUSSCGKSA-N 1 0 265.353 2.138 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CC[C@H](O)C(F)F)cc1 ZINC000865688217 647423304 /nfs/dbraw/zinc/42/33/04/647423304.db2.gz VQLAWFKOZNRHJL-NQHOJNORSA-N 1 0 284.350 2.372 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](O)C(F)(F)F ZINC000865710588 647432143 /nfs/dbraw/zinc/43/21/43/647432143.db2.gz CBZYKNXSRQOMEQ-CABZTGNLSA-N 1 0 276.302 2.154 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)cc1C ZINC000865710707 647434280 /nfs/dbraw/zinc/43/42/80/647434280.db2.gz DIXNTWCMIAEBKS-SKDRFNHKSA-N 1 0 277.286 2.410 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1 ZINC000865780686 647462143 /nfs/dbraw/zinc/46/21/43/647462143.db2.gz PSIVTNMJFMUUQI-HNNXBMFYSA-N 1 0 291.391 2.376 20 10 CECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1c(O)cccc1OC ZINC000865871331 647513846 /nfs/dbraw/zinc/51/38/46/647513846.db2.gz BPVSKBJSCQSOGO-MNOVXSKESA-N 1 0 253.342 2.040 20 10 CECDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccccc1O ZINC000783506572 647722594 /nfs/dbraw/zinc/72/25/94/647722594.db2.gz YMDXVPKJKNECDE-NEPJUHHUSA-N 1 0 257.337 2.464 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1 ZINC000866445498 647789845 /nfs/dbraw/zinc/78/98/45/647789845.db2.gz PTVGPDRAZDDLDJ-NOCZFLDPSA-N 1 0 289.375 2.475 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H](O)C(F)(F)F ZINC000866463180 647795222 /nfs/dbraw/zinc/79/52/22/647795222.db2.gz KQJQQKOABFKFSC-CVJICSNFSA-N 1 0 281.249 2.494 20 10 CECDRO CCOc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C)c(O)c1 ZINC000784641320 647870962 /nfs/dbraw/zinc/87/09/62/647870962.db2.gz XKDNJWVPEOVHPS-NHYWBVRUSA-N 1 0 265.353 2.448 20 10 CECDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000785987789 647975600 /nfs/dbraw/zinc/97/56/00/647975600.db2.gz IMVHDZDISARFTL-NQBHXWOUSA-N 1 0 293.363 2.102 20 10 CECDRO CCn1cccc(C[NH2+]Cc2ccc(OC)c(C)c2)c1=O ZINC000788524405 648198664 /nfs/dbraw/zinc/19/86/64/648198664.db2.gz MYXROLKPPPOXPP-UHFFFAOYSA-N 1 0 286.375 2.475 20 10 CECDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc(O)c1O ZINC000790668899 648439873 /nfs/dbraw/zinc/43/98/73/648439873.db2.gz OSBZCCDLPRHDPP-TXEJJXNPSA-N 1 0 292.379 2.091 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@](C)(OC)C1 ZINC000793215599 648725043 /nfs/dbraw/zinc/72/50/43/648725043.db2.gz CEOZCUXPBIEYJB-HNNXBMFYSA-N 1 0 265.353 2.402 20 10 CECDRO COc1c(O)c(C[N@H+]2[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000793228725 648726929 /nfs/dbraw/zinc/72/69/29/648726929.db2.gz PVJZSUQLSUYWDO-DTORHVGOSA-N 1 0 266.297 2.292 20 10 CECDRO COc1ccc(C[NH2+]Cc2c(C)nn(C)c2Cl)c(O)c1 ZINC000793388080 648749302 /nfs/dbraw/zinc/74/93/02/648749302.db2.gz KZYBIXMQUGJADI-UHFFFAOYSA-N 1 0 295.770 2.386 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000794657565 648899910 /nfs/dbraw/zinc/89/99/10/648899910.db2.gz BGXPSEDQKSTCAO-RHSMWYFYSA-N 1 0 291.391 2.389 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1ccccc1O ZINC000870988476 648971140 /nfs/dbraw/zinc/97/11/40/648971140.db2.gz QPFKKVBWPMONMD-FFSVYQOJSA-N 1 0 276.380 2.477 20 10 CECDRO C[C@@H](NC(=O)[C@H]1CCCC[C@]1(C)[NH3+])c1ccccc1O ZINC000870988478 648971165 /nfs/dbraw/zinc/97/11/65/648971165.db2.gz QPFKKVBWPMONMD-KFNAQCHYSA-N 1 0 276.380 2.477 20 10 CECDRO COCCC1([NH2+]Cc2cccc(Cl)c2[O-])CC[NH2+]CC1 ZINC000873224741 649597639 /nfs/dbraw/zinc/59/76/39/649597639.db2.gz JHIUTRHIGNCJNQ-UHFFFAOYSA-N 1 0 298.814 2.294 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](OC)C[C@]2(C)CO)cc1 ZINC000879262682 651273008 /nfs/dbraw/zinc/27/30/08/651273008.db2.gz XTWRTBSNIYORMC-DLBZAZTESA-N 1 0 292.423 2.114 20 10 CECDRO Cc1csc(=O)n1CC[NH2+][C@H](C)c1ccccc1O ZINC000879647648 651334929 /nfs/dbraw/zinc/33/49/29/651334929.db2.gz HFLCFMXWBGPTPR-LLVKDONJSA-N 1 0 278.377 2.275 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccccc1O ZINC000879650858 651335605 /nfs/dbraw/zinc/33/56/05/651335605.db2.gz UHBPITKWCFLNLB-DTWKUNHWSA-N 1 0 263.259 2.356 20 10 CECDRO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000128689737 651550367 /nfs/dbraw/zinc/55/03/67/651550367.db2.gz USBHSVJQPNJIHP-CQSZACIVSA-N 1 0 276.380 2.110 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883366673 652445852 /nfs/dbraw/zinc/44/58/52/652445852.db2.gz YDSXVZILEJAROY-SECBINFHSA-N 1 0 285.212 2.040 20 10 CECDRO CCOc1cccc(CN2CCC([NH+](C)C)CC2)c1O ZINC000132211607 652505056 /nfs/dbraw/zinc/50/50/56/652505056.db2.gz AABJKFBVCZOIOI-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884113138 652713539 /nfs/dbraw/zinc/71/35/39/652713539.db2.gz HGUGHTSCSXVRSD-AWEZNQCLSA-N 1 0 276.380 2.258 20 10 CECDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000884223011 652756536 /nfs/dbraw/zinc/75/65/36/652756536.db2.gz HAJNHLIUKYXQLR-INIZCTEOSA-N 1 0 291.439 2.311 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000134228731 652796237 /nfs/dbraw/zinc/79/62/37/652796237.db2.gz AUQJCNLNKDFGTE-HNNXBMFYSA-N 1 0 261.296 2.355 20 10 CECDRO C[C@H]([NH2+]CCO)c1cc(Br)cc(Cl)c1[O-] ZINC000134911135 652887135 /nfs/dbraw/zinc/88/71/35/652887135.db2.gz VFPRFTVLSLWCJS-LURJTMIESA-N 1 0 294.576 2.451 20 10 CECDRO C[C@@]1([NH3+])CCN(Cc2ccc3ccccc3c2O)C1 ZINC001204790472 806001517 /nfs/dbraw/zinc/00/15/17/806001517.db2.gz JUIGZXMTVQGPJN-MRXNPFEDSA-N 1 0 256.349 2.469 20 10 CECDRO Cc1cc(O)c(CN2CCC[NH2+]CC2)cc1Br ZINC001204685209 806066761 /nfs/dbraw/zinc/06/67/61/806066761.db2.gz XHMPFRAYSWVOFQ-UHFFFAOYSA-N 1 0 299.212 2.258 20 10 CECDRO C[C@@]1([NH3+])CCN(Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001204801188 806107358 /nfs/dbraw/zinc/10/73/58/806107358.db2.gz LCJWXLIPBJWEDA-GFCCVEGCSA-N 1 0 290.285 2.214 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC001140056257 802549084 /nfs/dbraw/zinc/54/90/84/802549084.db2.gz OHVATKINRACXSV-NSHDSACASA-N 1 0 281.327 2.306 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)[C@@H]1CO ZINC001140057731 802550070 /nfs/dbraw/zinc/55/00/70/802550070.db2.gz LJOAXTFMIMDZBC-GXFFZTMASA-N 1 0 253.317 2.124 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)C2CC2)cc1C ZINC001125343609 802601395 /nfs/dbraw/zinc/60/13/95/802601395.db2.gz WTNPOEWRVVKLCC-ZDUSSCGKSA-N 1 0 290.407 2.256 20 10 CECDRO C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703330727 809639420 /nfs/dbraw/zinc/63/94/20/809639420.db2.gz YNBQXIDPCYICNN-SECBINFHSA-N 1 0 258.312 2.100 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CCOC2(C)C)c1O ZINC000693071662 802638190 /nfs/dbraw/zinc/63/81/90/802638190.db2.gz CFWIASCEQSIESM-LBPRGKRZSA-N 1 0 265.353 2.306 20 10 CECDRO Oc1cc(Cl)ccc1CN1CC[NH+](C2CC2)CC1 ZINC001140461200 802934136 /nfs/dbraw/zinc/93/41/36/802934136.db2.gz GZKGYPINWXXHOB-UHFFFAOYSA-N 1 0 266.772 2.326 20 10 CECDRO Oc1cc(Cl)ccc1CN1CC[NH+]2CCC1CC2 ZINC001140464870 802946036 /nfs/dbraw/zinc/94/60/36/802946036.db2.gz DFOLUYKPGQJJEF-UHFFFAOYSA-N 1 0 266.772 2.326 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)c1 ZINC000690732071 803079115 /nfs/dbraw/zinc/07/91/15/803079115.db2.gz OKTCELUTNXOTAZ-RNCFNFMXSA-N 1 0 287.306 2.476 20 10 CECDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724982060 803816556 /nfs/dbraw/zinc/81/65/56/803816556.db2.gz JNIQYBUQPFEXSD-PTXATLKXSA-N 1 0 270.376 2.490 20 10 CECDRO [NH3+][C@@H](CNCc1ccc(N2CCCC2)cc1)C1CC1 ZINC001118018309 814976572 /nfs/dbraw/zinc/97/65/72/814976572.db2.gz FXYMOUKMYMEBKF-INIZCTEOSA-N 1 0 259.397 2.114 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001118269365 814999279 /nfs/dbraw/zinc/99/92/79/814999279.db2.gz DLKNCTRPRPKJMR-VHRBIJSZSA-N 1 0 292.379 2.096 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c1O ZINC000722331128 804297205 /nfs/dbraw/zinc/29/72/05/804297205.db2.gz ARMGLCPYMAHOPI-KBPBESRZSA-N 1 0 277.364 2.448 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1ccccc1O ZINC000722362085 804383431 /nfs/dbraw/zinc/38/34/31/804383431.db2.gz XCWNRRRNTFHBIH-UONOGXRCSA-N 1 0 276.380 2.444 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)CC2(C)OCCO2)c1 ZINC000716023726 815015080 /nfs/dbraw/zinc/01/50/80/815015080.db2.gz WRBMJMXTMIEFQH-LBPRGKRZSA-N 1 0 295.379 2.280 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H](C)CC2(C)OCCO2)c1 ZINC000716023724 815015656 /nfs/dbraw/zinc/01/56/56/815015656.db2.gz WRBMJMXTMIEFQH-GFCCVEGCSA-N 1 0 295.379 2.280 20 10 CECDRO COc1cc(C[N@@H+]2CCN(C)C(C)(C)C2)c(O)cc1C ZINC001119330662 815093274 /nfs/dbraw/zinc/09/32/74/815093274.db2.gz JOTAHDQCEVXYHI-UHFFFAOYSA-N 1 0 278.396 2.235 20 10 CECDRO Cn1cc(C[N@H+](C)Cc2cc(Cl)c(O)cc2O)cn1 ZINC001232259977 807237185 /nfs/dbraw/zinc/23/71/85/807237185.db2.gz ODSSZDNBZMTUKU-UHFFFAOYSA-N 1 0 281.743 2.117 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCCOC2)c(O)c1 ZINC001232841456 807322588 /nfs/dbraw/zinc/32/25/88/807322588.db2.gz GZJRCYXZJCWLTQ-CQSZACIVSA-N 1 0 264.369 2.069 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC001119517298 815124042 /nfs/dbraw/zinc/12/40/42/815124042.db2.gz RHQDKJCOWDIXNP-HNNXBMFYSA-N 1 0 291.391 2.064 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)[C@H](OC)C2CC2)c1O ZINC000388240156 807589913 /nfs/dbraw/zinc/58/99/13/807589913.db2.gz QJRJWVJHONMUFP-BONVTDFDSA-N 1 0 265.353 2.304 20 10 CECDRO CCN(CC)c1ccc(CN2CCCC23C[NH2+]C3)cc1 ZINC001235094300 807771930 /nfs/dbraw/zinc/77/19/30/807771930.db2.gz JWPVDQZHUOQUER-UHFFFAOYSA-N 1 0 273.424 2.471 20 10 CECDRO CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccccc1O ZINC000716775031 815146346 /nfs/dbraw/zinc/14/63/46/815146346.db2.gz PSNRITTVXIRHTF-ZYHUDNBSSA-N 1 0 259.296 2.449 20 10 CECDRO Oc1ccc(Cl)c(Cl)c1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236297936 808056502 /nfs/dbraw/zinc/05/65/02/808056502.db2.gz UELSVFNSGHLVPT-XVKPBYJWSA-N 1 0 273.163 2.103 20 10 CECDRO Oc1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@H](O)C1 ZINC001237121052 808193989 /nfs/dbraw/zinc/19/39/89/808193989.db2.gz KBSQDKBOGSWNTC-MRVPVSSYSA-N 1 0 259.708 2.141 20 10 CECDRO CC[N@@H+]1CCCN(Cc2cc(F)cc(C)c2O)CC1 ZINC001238059032 808293489 /nfs/dbraw/zinc/29/34/89/808293489.db2.gz YPYQEQOGSSXKRB-UHFFFAOYSA-N 1 0 266.360 2.367 20 10 CECDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N)cc1)CC2 ZINC001120370801 815217338 /nfs/dbraw/zinc/21/73/38/815217338.db2.gz FTOLZAXHNBPLGE-CVEARBPZSA-N 1 0 290.407 2.021 20 10 CECDRO [NH3+]CC[C@H]1CN(c2nccc3c2NC(=O)C3)c2ccccc21 ZINC001168546647 808577030 /nfs/dbraw/zinc/57/70/30/808577030.db2.gz XMNPPWPMYVRXCJ-LBPRGKRZSA-N 1 0 294.358 2.160 20 10 CECDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116511790 808832215 /nfs/dbraw/zinc/83/22/15/808832215.db2.gz BMMANIVACGVAGE-GOEBONIOSA-N 1 0 274.408 2.490 20 10 CECDRO CC[C@@H]([NH2+]CC1(S(=O)(=O)CC)CC1)c1ccccc1O ZINC000693481899 808858494 /nfs/dbraw/zinc/85/84/94/808858494.db2.gz VFYBCRMXBOXJDU-CYBMUJFWSA-N 1 0 297.420 2.400 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@H](CCF)C2)c1O ZINC000700587749 809324800 /nfs/dbraw/zinc/32/48/00/809324800.db2.gz CYZKROYKKUAQNQ-CYBMUJFWSA-N 1 0 253.317 2.261 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccncc1 ZINC000700898754 809370003 /nfs/dbraw/zinc/37/00/03/809370003.db2.gz LELJKMYHPAELAR-UHFFFAOYSA-N 1 0 253.349 2.493 20 10 CECDRO CC1(C[NH2+]Cc2ccc(Br)cc2O)COC1 ZINC000701061740 809387439 /nfs/dbraw/zinc/38/74/39/809387439.db2.gz ZCBVXHIBWXXLBB-UHFFFAOYSA-N 1 0 286.169 2.281 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Br)CO1 ZINC000706835614 809856476 /nfs/dbraw/zinc/85/64/76/809856476.db2.gz CEMZIDMGYNCVSM-DTWKUNHWSA-N 1 0 286.169 2.422 20 10 CECDRO CCN1CC[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000708678819 809933049 /nfs/dbraw/zinc/93/30/49/809933049.db2.gz BOVLLJOATXZOBR-DOMZBBRYSA-N 1 0 275.396 2.024 20 10 CECDRO COc1cccc(CN2CCCCC[C@@H]([NH3+])C2)c1O ZINC000709011792 809939738 /nfs/dbraw/zinc/93/97/38/809939738.db2.gz LLTFUGIKTWQLSW-CYBMUJFWSA-N 1 0 264.369 2.104 20 10 CECDRO CN(C)c1ccc(CN2CCCCC[C@H]([NH3+])C2)cc1 ZINC000709030706 809940558 /nfs/dbraw/zinc/94/05/58/809940558.db2.gz HHOSRDUJRRCSNS-HNNXBMFYSA-N 1 0 261.413 2.456 20 10 CECDRO c1cc2c(cc1C[NH2+][C@@H]1CCN(C3CC3)C1)CCCO2 ZINC000709146577 809943227 /nfs/dbraw/zinc/94/32/27/809943227.db2.gz FGJJLINEKBCFAU-OAHLLOKOSA-N 1 0 272.392 2.338 20 10 CECDRO O=C(C1=CCC[NH2+]CC1)N1CCc2ccc(F)cc21 ZINC001121863063 815361293 /nfs/dbraw/zinc/36/12/93/815361293.db2.gz ZSCMFUVAUFXSMR-UHFFFAOYSA-N 1 0 260.312 2.025 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001018375059 810605763 /nfs/dbraw/zinc/60/57/63/810605763.db2.gz FBOJRKDOLIEXTE-AWEZNQCLSA-N 1 0 276.380 2.104 20 10 CECDRO Nc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC001122535711 815422824 /nfs/dbraw/zinc/42/28/24/815422824.db2.gz GAXIIUPTRSGWKP-BMFZPTHFSA-N 1 0 287.407 2.196 20 10 CECDRO C[N@H+](Cc1ccccc1O)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035532 811347455 /nfs/dbraw/zinc/34/74/55/811347455.db2.gz BXXPYKBOIQOBCX-DGCLKSJQSA-N 1 0 264.325 2.269 20 10 CECDRO OCCCCC[NH2+]Cc1ccc(Br)cc1O ZINC000691452941 811857746 /nfs/dbraw/zinc/85/77/46/811857746.db2.gz GNBBLAQQGFFUPO-UHFFFAOYSA-N 1 0 288.185 2.407 20 10 CECDRO C[C@H](CCO)C[NH2+]Cc1ccc(Br)cc1O ZINC000691454908 811857849 /nfs/dbraw/zinc/85/78/49/811857849.db2.gz NCKABJTUPNEMMF-SECBINFHSA-N 1 0 288.185 2.263 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(C)=O)C2)cc1C ZINC001047655607 811887370 /nfs/dbraw/zinc/88/73/70/811887370.db2.gz AVYBKTVIAWWULQ-BBRMVZONSA-N 1 0 290.407 2.350 20 10 CECDRO COC(=O)[C@H]1CCC[C@@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001172624563 815485870 /nfs/dbraw/zinc/48/58/70/815485870.db2.gz SFWICYQNUZFTLY-UONOGXRCSA-N 1 0 289.375 2.482 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c(O)c1 ZINC000384542043 812429900 /nfs/dbraw/zinc/42/99/00/812429900.db2.gz FAFGOTCUDYTRMO-OUJBWJOFSA-N 1 0 251.326 2.056 20 10 CECDRO C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1C)c1ccccc1O ZINC001123746857 815551732 /nfs/dbraw/zinc/55/17/32/815551732.db2.gz NAFHYKFROSFPIO-OLZOCXBDSA-N 1 0 291.395 2.237 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)C[NH2+]C(C)(C)C)cc1 ZINC000105854660 813045660 /nfs/dbraw/zinc/04/56/60/813045660.db2.gz YLUSLKWMBBEKDX-UHFFFAOYSA-N 1 0 277.412 2.099 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000384667585 813121981 /nfs/dbraw/zinc/12/19/81/813121981.db2.gz XHACOWAOIVRXHB-GIPNMCIBSA-N 1 0 251.326 2.056 20 10 CECDRO CC1(C)[C@@H]2C[C@@H]([NH2+]CC(=O)c3ccc(O)c(O)c3)C[C@@H]21 ZINC001170726293 813205435 /nfs/dbraw/zinc/20/54/35/813205435.db2.gz DCUQYCXKGADLAN-CNDDSTCGSA-N 1 0 275.348 2.305 20 10 CECDRO COc1cccc2c1C[C@@H]([NH2+]Cc1ccccc1O)CO2 ZINC001173143658 815603392 /nfs/dbraw/zinc/60/33/92/815603392.db2.gz BYHYTJVNHJJIRK-CYBMUJFWSA-N 1 0 285.343 2.494 20 10 CECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CCCOC1 ZINC000389002325 813245238 /nfs/dbraw/zinc/24/52/38/813245238.db2.gz QWIASQQLNINFFD-WDEREUQCSA-N 1 0 279.336 2.026 20 10 CECDRO COCC[C@H](COC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000389172941 813248169 /nfs/dbraw/zinc/24/81/69/813248169.db2.gz LOCLEEBPWONXNI-CHWSQXEVSA-N 1 0 265.353 2.021 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2cnccn2)c1 ZINC000390142734 813258630 /nfs/dbraw/zinc/25/86/30/813258630.db2.gz UNXRHBTYCDMTCC-LBPRGKRZSA-N 1 0 257.337 2.384 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)C(C)(C)O)c1O ZINC000393969934 813333606 /nfs/dbraw/zinc/33/36/06/813333606.db2.gz ZEGWRURXJPBEPF-SNVBAGLBSA-N 1 0 253.342 2.040 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(C)(C)O)c1 ZINC000393959084 813333905 /nfs/dbraw/zinc/33/39/05/813333905.db2.gz AINGPSBXXHWXSR-UWVGGRQHSA-N 1 0 253.342 2.211 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@]3(CC[NH2+]C3)C2)c1O ZINC000394395636 813390846 /nfs/dbraw/zinc/39/08/46/813390846.db2.gz BLWRHVDMHPZEHX-HNNXBMFYSA-N 1 0 296.798 2.240 20 10 CECDRO Oc1cc2c(cc1O)C[N@@H+]([C@H]1CCCOCC1)CCC2 ZINC001170833496 813487022 /nfs/dbraw/zinc/48/70/22/813487022.db2.gz IPBRKZURSNJIPX-AWEZNQCLSA-N 1 0 277.364 2.415 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2COC(C)(C)C2)c(O)c1 ZINC000396522309 813572056 /nfs/dbraw/zinc/57/20/56/813572056.db2.gz GVWBFRUSSPVGPK-NSHDSACASA-N 1 0 251.326 2.058 20 10 CECDRO CC(C)[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)[NH3+] ZINC000399783433 813719116 /nfs/dbraw/zinc/71/91/16/813719116.db2.gz WILAMQREZCWWJJ-CZUORRHYSA-N 1 0 291.439 2.330 20 10 CECDRO Cc1c[nH]c(C[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000693513264 814623943 /nfs/dbraw/zinc/62/39/43/814623943.db2.gz SYJWCXCVUADZCC-UHFFFAOYSA-N 1 0 251.717 2.367 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)c(O)c1 ZINC000713480346 814858223 /nfs/dbraw/zinc/85/82/23/814858223.db2.gz HRFXCZQJGRTXCJ-LSDHHAIUSA-N 1 0 277.364 2.448 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c1 ZINC000713481306 814858272 /nfs/dbraw/zinc/85/82/72/814858272.db2.gz SPWMOAGPEKDHKW-CABCVRRESA-N 1 0 277.364 2.448 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](OC)C23CCC3)c1 ZINC000713481308 814858998 /nfs/dbraw/zinc/85/89/98/814858998.db2.gz SPWMOAGPEKDHKW-GJZGRUSLSA-N 1 0 277.364 2.448 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)CC2CCOCC2)c1 ZINC001116811519 814884753 /nfs/dbraw/zinc/88/47/53/814884753.db2.gz UVYPCRLYUBCUMH-HNNXBMFYSA-N 1 0 293.407 2.215 20 10 CECDRO O=c1[nH]cccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000714954664 814923031 /nfs/dbraw/zinc/92/30/31/814923031.db2.gz WAAYPLMBWMIVTP-LBPRGKRZSA-N 1 0 256.305 2.270 20 10 CECDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N(C)C)cc2)C1 ZINC001173368761 815705874 /nfs/dbraw/zinc/70/58/74/815705874.db2.gz RJKWQDLWNCSNLW-MRXNPFEDSA-N 1 0 261.413 2.279 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CC[C@]1(C)O ZINC001138123808 815730760 /nfs/dbraw/zinc/73/07/60/815730760.db2.gz MTEUBPAKYDLYDT-YGRLFVJLSA-N 1 0 253.317 2.124 20 10 CECDRO C[C@]1(O)CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138122594 815731089 /nfs/dbraw/zinc/73/10/89/815731089.db2.gz PAPOMOSAAHEWNJ-AWEZNQCLSA-N 1 0 253.317 2.268 20 10 CECDRO Cc1c(C[NH+]2CC3(CC(O)C3)C2)c2ccccc2n1C ZINC001138252659 815754567 /nfs/dbraw/zinc/75/45/67/815754567.db2.gz OYZSPWRISPBKRO-UHFFFAOYSA-N 1 0 270.376 2.443 20 10 CECDRO CC(=O)N[C@H]1CC[N@@H+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138259377 815756093 /nfs/dbraw/zinc/75/60/93/815756093.db2.gz HVQOMAWQRNTOCI-AWEZNQCLSA-N 1 0 285.391 2.197 20 10 CECDRO CN(CC[NH+](C)C)Cc1ccc2c(c1)CCCN2C ZINC001138355046 815775071 /nfs/dbraw/zinc/77/50/71/815775071.db2.gz ZULNMIAENVXMHW-UHFFFAOYSA-N 1 0 261.413 2.062 20 10 CECDRO CN1CCCc2cc(CN3CC[C@H]([NH+](C)C)C3)ccc21 ZINC001138354843 815775206 /nfs/dbraw/zinc/77/52/06/815775206.db2.gz WNJMPEXIEHHNQF-INIZCTEOSA-N 1 0 273.424 2.205 20 10 CECDRO C[C@@H]1CC(=O)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC001138495406 815817277 /nfs/dbraw/zinc/81/72/77/815817277.db2.gz JAKJPAYXRHRRJD-CQSZACIVSA-N 1 0 288.391 2.077 20 10 CECDRO COc1cc(CN2CCC[C@@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139257174 815997319 /nfs/dbraw/zinc/99/73/19/815997319.db2.gz UICPIGWUNRXMCP-CQSZACIVSA-N 1 0 296.386 2.396 20 10 CECDRO Cc1cc(C[NH+]2CCC(C)(C(N)=O)CC2)ccc1N(C)C ZINC001139673353 816075738 /nfs/dbraw/zinc/07/57/38/816075738.db2.gz QZSVIXZSKYMOLJ-UHFFFAOYSA-N 1 0 289.423 2.148 20 10 CECDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(F)ccc1O ZINC001140057614 816179051 /nfs/dbraw/zinc/17/90/51/816179051.db2.gz HZVIUZXFDOTWDL-GHMZBOCLSA-N 1 0 253.317 2.124 20 10 CECDRO COCC[N@H+](Cc1cc(F)ccc1O)C1CCN(C)CC1 ZINC001140055577 816179070 /nfs/dbraw/zinc/17/90/70/816179070.db2.gz LMZXUGGBFTUDJO-UHFFFAOYSA-N 1 0 296.386 2.074 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)[C@@H]1C ZINC001140055093 816179505 /nfs/dbraw/zinc/17/95/05/816179505.db2.gz HYBNBMIRQXCDTF-ZWNOBZJWSA-N 1 0 281.327 2.305 20 10 CECDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001140465537 816260104 /nfs/dbraw/zinc/26/01/04/816260104.db2.gz NHOWCVYISNPNRB-CYBMUJFWSA-N 1 0 292.770 2.474 20 10 CECDRO CCOC(=O)CC[N@H+](C)Cc1c([O-])cc(F)cc1F ZINC001140583614 816292810 /nfs/dbraw/zinc/29/28/10/816292810.db2.gz NYRLROZZODMBTC-UHFFFAOYSA-N 1 0 273.279 2.055 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2O)CC12CC2 ZINC001140624303 816307670 /nfs/dbraw/zinc/30/76/70/816307670.db2.gz PXGSKOUARJXASR-CYBMUJFWSA-N 1 0 275.348 2.086 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c1O ZINC001140742010 816338283 /nfs/dbraw/zinc/33/82/83/816338283.db2.gz HDTQVXWOVGGCDI-HNNXBMFYSA-N 1 0 283.343 2.093 20 10 CECDRO Cc1c(O)ccc(C[N@H+](CCO)Cc2ccccc2)c1O ZINC001140742436 816338907 /nfs/dbraw/zinc/33/89/07/816338907.db2.gz OGOHHHQKCNETHL-UHFFFAOYSA-N 1 0 287.359 2.401 20 10 CECDRO Cc1cc(C[N@H+](C)Cc2ccc(O)c(C)c2O)n(C)n1 ZINC001140745713 816341698 /nfs/dbraw/zinc/34/16/98/816341698.db2.gz MSXLHTCFQZRGTI-UHFFFAOYSA-N 1 0 275.352 2.080 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCCCC23COC3)c1O ZINC001140745978 816341900 /nfs/dbraw/zinc/34/19/00/816341900.db2.gz QZRRIZDMLRWUKN-UHFFFAOYSA-N 1 0 263.337 2.161 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c(O)c1 ZINC001140850971 816383451 /nfs/dbraw/zinc/38/34/51/816383451.db2.gz XHWNVFQDFMDEKA-IUODEOHRSA-N 1 0 278.396 2.194 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c(O)c1 ZINC001140948109 816422654 /nfs/dbraw/zinc/42/26/54/816422654.db2.gz UBJNPLKAPHNYSM-HNNXBMFYSA-N 1 0 267.344 2.387 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCO[C@@H](C)C2)c(OC)c1 ZINC001141031564 816451519 /nfs/dbraw/zinc/45/15/19/816451519.db2.gz HZAVJMPXTXBOAS-NSHDSACASA-N 1 0 281.352 2.020 20 10 CECDRO COc1cc(O)c(C[NH+]2CCC(F)CC2)c(OC)c1 ZINC001141032099 816451977 /nfs/dbraw/zinc/45/19/77/816451977.db2.gz SBLSPYIRLRCVOM-UHFFFAOYSA-N 1 0 269.316 2.343 20 10 CECDRO COc1cc(O)c(C[NH+]2CCCCC2)c(OC)c1 ZINC001141032129 816452186 /nfs/dbraw/zinc/45/21/86/816452186.db2.gz UAVKHAUAXSBACV-UHFFFAOYSA-N 1 0 251.326 2.395 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CCCO1 ZINC001141141027 816484860 /nfs/dbraw/zinc/48/48/60/816484860.db2.gz SIBQPMJIEQWAIW-CYBMUJFWSA-N 1 0 276.380 2.126 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@]4(CCO4)C3)ccc21 ZINC001141143701 816485511 /nfs/dbraw/zinc/48/55/11/816485511.db2.gz GGTGXSHFWZOUIS-KRWDZBQOSA-N 1 0 288.391 2.270 20 10 CECDRO Oc1ccc(O)c(C[NH+]2CC(c3cccnc3)C2)c1 ZINC001141159162 816489797 /nfs/dbraw/zinc/48/97/97/816489797.db2.gz APBZVKOEBUESOH-UHFFFAOYSA-N 1 0 256.305 2.092 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CCc3cc(O)ccc3C2)c1 ZINC001141157282 816490558 /nfs/dbraw/zinc/49/05/58/816490558.db2.gz FZEBYKPEOMGOPQ-UHFFFAOYSA-N 1 0 271.316 2.362 20 10 CECDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(F)c(F)cc1O ZINC001142512788 816678687 /nfs/dbraw/zinc/67/86/87/816678687.db2.gz KYMHXUBUGVODMR-VHSXEESVSA-N 1 0 270.323 2.195 20 10 CECDRO CCC[N@H+]1C[C@H]2CN(Cc3cc(F)c(F)cc3O)C[C@H]2C1 ZINC001142531084 816680949 /nfs/dbraw/zinc/68/09/49/816680949.db2.gz PJBAJRAUVUCNLC-BETUJISGSA-N 1 0 296.361 2.444 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCOC2)cc1 ZINC001178361089 816732339 /nfs/dbraw/zinc/73/23/39/816732339.db2.gz UFVGHTGKGQDSFU-WBVHZDCISA-N 1 0 292.423 2.020 20 10 CECDRO [NH3+]C[C@@]1(F)CCCCN(Cc2cc(F)c(F)cc2O)C1 ZINC001206362388 816828642 /nfs/dbraw/zinc/82/86/42/816828642.db2.gz PABRTMLCBAFOQY-AWEZNQCLSA-N 1 0 288.313 2.323 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000035136422 361820122 /nfs/dbraw/zinc/82/01/22/361820122.db2.gz PAZKINUCWWKWSG-CYBMUJFWSA-N 1 0 260.381 2.411 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000123236566 365636185 /nfs/dbraw/zinc/63/61/85/365636185.db2.gz BLBFACVYZJUFHU-SNVBAGLBSA-N 1 0 283.755 2.431 20 10 CECDRO C[N@H+](Cc1cc(Cl)ccc1O)[C@H]1CCCCNC1=O ZINC000123894261 365642966 /nfs/dbraw/zinc/64/29/66/365642966.db2.gz IQNHRNGXEUZUEM-LBPRGKRZSA-N 1 0 282.771 2.146 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nncn2C)c(O)c1 ZINC000037016330 361883582 /nfs/dbraw/zinc/88/35/82/361883582.db2.gz XQLGGOPIOYJTTG-GHMZBOCLSA-N 1 0 260.341 2.241 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367602102 344815228 /nfs/dbraw/zinc/81/52/28/344815228.db2.gz IJVQTKYKSZPEOJ-UIKWRGBMSA-N 1 0 253.729 2.028 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000237083108 370688444 /nfs/dbraw/zinc/68/84/44/370688444.db2.gz HABBEUDMPORGCH-KRWDZBQOSA-N 1 0 297.402 2.111 20 10 CECDRO COC(=O)CC[N@@H+](Cc1cccc(OC)c1O)CC(C)C ZINC000091922926 364072467 /nfs/dbraw/zinc/07/24/67/364072467.db2.gz YAJJJDYIFWJYQA-UHFFFAOYSA-N 1 0 295.379 2.422 20 10 CECDRO C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N(C)C)cc1 ZINC000090662176 364064209 /nfs/dbraw/zinc/06/42/09/364064209.db2.gz VXRWUXGYEZOSDT-AWEZNQCLSA-N 1 0 292.423 2.192 20 10 CECDRO CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](C)O1 ZINC000111167886 364724988 /nfs/dbraw/zinc/72/49/88/364724988.db2.gz KAVPXYZNWDPPPX-JQWIXIFHSA-N 1 0 279.336 2.120 20 10 CECDRO CCOc1cccc(C[NH2+]CC(O)(CC)CC)c1O ZINC000112017955 364769198 /nfs/dbraw/zinc/76/91/98/364769198.db2.gz RNUWZVOEURBGMJ-UHFFFAOYSA-N 1 0 267.369 2.432 20 10 CECDRO Cc1nc2n(n1)C[C@H]([NH2+]Cc1c(O)cccc1Cl)CC2 ZINC000113333715 364889333 /nfs/dbraw/zinc/88/93/33/364889333.db2.gz VBTALGYRWRSELE-SNVBAGLBSA-N 1 0 292.770 2.050 20 10 CECDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1ccccc1O ZINC000167467524 367340165 /nfs/dbraw/zinc/34/01/65/367340165.db2.gz MTLSXTRHMBKFLG-RLFDGXBXSA-N 1 0 255.383 2.200 20 10 CECDRO COc1ccc(N2CCC([NH2+]CC3(C)COC3)CC2)cc1 ZINC000164403023 367286031 /nfs/dbraw/zinc/28/60/31/367286031.db2.gz WIAOOLSSSGWZTM-UHFFFAOYSA-N 1 0 290.407 2.290 20 10 CECDRO CCC[C@@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000168771438 367359469 /nfs/dbraw/zinc/35/94/69/367359469.db2.gz DGXDICSGKLLZNU-GHMZBOCLSA-N 1 0 253.342 2.212 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C(C)C)c1 ZINC000168776188 367360554 /nfs/dbraw/zinc/36/05/54/367360554.db2.gz FEDJCSLPJXCRMA-QMTHXVAHSA-N 1 0 253.342 2.068 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CC[C@](C)(O)C2)c(O)c1 ZINC000180195664 368370969 /nfs/dbraw/zinc/37/09/69/368370969.db2.gz UOHHTYXRPGCUIU-HNNXBMFYSA-N 1 0 265.353 2.138 20 10 CECDRO COc1ccc(O)c(C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000179678591 368345922 /nfs/dbraw/zinc/34/59/22/368345922.db2.gz FCFUJQOEELAOAZ-GFCCVEGCSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1cccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1O ZINC000179662209 368346151 /nfs/dbraw/zinc/34/61/51/368346151.db2.gz XIZSRXZRVVAEPR-UHFFFAOYSA-N 1 0 288.391 2.191 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](CC(N)=O)C(C)C)cc1F ZINC000179657981 368346772 /nfs/dbraw/zinc/34/67/72/368346772.db2.gz BYTZIXDQLLBNEV-UHFFFAOYSA-N 1 0 295.402 2.368 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCS[C@H](C)C2)c1 ZINC000180041442 368365076 /nfs/dbraw/zinc/36/50/76/368365076.db2.gz BNRIXTYKBGPZFS-SNVBAGLBSA-N 1 0 253.367 2.338 20 10 CECDRO CCC[C@@]1(C)C(=O)NCCN1Cc1cc(F)ccc1O ZINC000189038208 369447130 /nfs/dbraw/zinc/44/71/30/369447130.db2.gz AYEZAVFSGNKBKM-HNNXBMFYSA-N 1 0 280.343 2.022 20 10 CECDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192102793 369772309 /nfs/dbraw/zinc/77/23/09/369772309.db2.gz JKXHWZWWNIQHBZ-CYBMUJFWSA-N 1 0 275.348 2.310 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)CC[C@@H](C)[NH3+] ZINC000193227067 369908223 /nfs/dbraw/zinc/90/82/23/369908223.db2.gz JAIOQAPJCIVODI-GFCCVEGCSA-N 1 0 264.369 2.258 20 10 CECDRO C[C@@H]1Cc2ccccc2N(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637982235 370216271 /nfs/dbraw/zinc/21/62/71/370216271.db2.gz BGAQXGWGDQYMIH-BXUZGUMPSA-N 1 0 256.349 2.259 20 10 CECDRO CSc1ccc(N(C)C(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000637984074 370217443 /nfs/dbraw/zinc/21/74/43/370217443.db2.gz ARLMIDGLJUCTFU-NSHDSACASA-N 1 0 262.378 2.419 20 10 CECDRO CC[N@H+](CCC[NH+](C)C)Cc1cccc(F)c1[O-] ZINC000230744785 370466529 /nfs/dbraw/zinc/46/65/29/370466529.db2.gz XIKDGRFJVUMRPP-UHFFFAOYSA-N 1 0 254.349 2.305 20 10 CECDRO C[C@@H](CN(C)C)[NH2+]Cc1cc(Br)ccc1O ZINC000235110148 370556616 /nfs/dbraw/zinc/55/66/16/370556616.db2.gz JAUKYWNHMBTBNC-VIFPVBQESA-N 1 0 287.201 2.194 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)cc1 ZINC000269012584 372314789 /nfs/dbraw/zinc/31/47/89/372314789.db2.gz NYHKHHDNNQQBGS-UONOGXRCSA-N 1 0 287.411 2.474 20 10 CECDRO COCC[C@@H]1COCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000365804672 372941945 /nfs/dbraw/zinc/94/19/45/372941945.db2.gz RAARIEUUUWUTDJ-OAHLLOKOSA-N 1 0 279.380 2.246 20 10 CECDRO Oc1cccc(Cl)c1CN1CCO[C@H]2CCOC[C@@H]21 ZINC000366495798 373071426 /nfs/dbraw/zinc/07/14/26/373071426.db2.gz HLQVSQIXWPTQQA-JSGCOSHPSA-N 1 0 283.755 2.035 20 10 CECDRO CCC[N@H+](Cc1cc2c(cc1O)OCO2)CC(C)(C)O ZINC000271170278 373159492 /nfs/dbraw/zinc/15/94/92/373159492.db2.gz PRIJSXIKFWOEBV-UHFFFAOYSA-N 1 0 281.352 2.104 20 10 CECDRO COc1cc(O)c(C[NH+]2C[C@@H](C)[C@H](C)C2)cc1OC ZINC000271121088 373129810 /nfs/dbraw/zinc/12/98/10/373129810.db2.gz YDNUUYQYDNMGEK-GHMZBOCLSA-N 1 0 265.353 2.497 20 10 CECDRO Cc1ccc(O)c(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c1 ZINC000271196705 373173455 /nfs/dbraw/zinc/17/34/55/373173455.db2.gz NZRGDDQDGFHBBP-SOZUMNATSA-N 1 0 267.394 2.042 20 10 CECDRO CCOc1cccc(CN2CC[NH+](C3CCC3)CC2)c1O ZINC000271197085 373175232 /nfs/dbraw/zinc/17/52/32/373175232.db2.gz RVRTXYGEFMYQHS-UHFFFAOYSA-N 1 0 290.407 2.461 20 10 CECDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000272214342 373364625 /nfs/dbraw/zinc/36/46/25/373364625.db2.gz AZXDYLMBUQEZTF-CMPLNLGQSA-N 1 0 293.260 2.419 20 10 CECDRO C[C@]1([NH2+]Cc2cc3c(cc2O)OCO3)CCO[C@H]1C1CC1 ZINC000273133950 373747029 /nfs/dbraw/zinc/74/70/29/373747029.db2.gz NCZGNVASYIBBNV-HOTGVXAUSA-N 1 0 291.347 2.168 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)c2cnn(C)c2)c(O)c1C ZINC000273498522 373760569 /nfs/dbraw/zinc/76/05/69/373760569.db2.gz PTWZNTVAUBHNOX-DOMZBBRYSA-N 1 0 289.379 2.127 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273516868 373762715 /nfs/dbraw/zinc/76/27/15/373762715.db2.gz SSHFQHLKPVQLAD-RYUDHWBXSA-N 1 0 292.379 2.061 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c(O)c1C ZINC000273540966 373762731 /nfs/dbraw/zinc/76/27/31/373762731.db2.gz YIPTZGTWRIKXCB-OLZOCXBDSA-N 1 0 288.391 2.423 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273581531 373763976 /nfs/dbraw/zinc/76/39/76/373763976.db2.gz MTLGGLRZRUQPDU-BBRMVZONSA-N 1 0 281.396 2.447 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000273552445 373764519 /nfs/dbraw/zinc/76/45/19/373764519.db2.gz GDFJRVAODNKBNY-YGRLFVJLSA-N 1 0 267.369 2.458 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c(O)c1C ZINC000273622777 373768751 /nfs/dbraw/zinc/76/87/51/373768751.db2.gz ZPHCFNWUSCOPDM-QWHCGFSZSA-N 1 0 276.380 2.280 20 10 CECDRO COCCOCCOCCC[NH2+][C@@H](C)c1ccccc1O ZINC000274543489 373957262 /nfs/dbraw/zinc/95/72/62/373957262.db2.gz CQYYWIWCIWAPFI-AWEZNQCLSA-N 1 0 297.395 2.113 20 10 CECDRO CCOCC[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374322785 374542157 /nfs/dbraw/zinc/54/21/57/374542157.db2.gz GIXZKYVSGGQREM-UHFFFAOYSA-N 1 0 260.381 2.488 20 10 CECDRO C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cc(F)ccc1O ZINC000284415592 375828053 /nfs/dbraw/zinc/82/80/53/375828053.db2.gz QMHTWGDAJDUUCQ-WBIUFABUSA-N 1 0 299.386 2.340 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCOC[C@H]2C)cc1OC ZINC000289236821 376388509 /nfs/dbraw/zinc/38/85/09/376388509.db2.gz DJZGRXNPDOVMEI-NEPJUHHUSA-N 1 0 295.379 2.172 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CC(=O)NCC2CC2)c(O)c1 ZINC000294381249 377984981 /nfs/dbraw/zinc/98/49/81/377984981.db2.gz RLPZDNMCHOCKBA-LBPRGKRZSA-N 1 0 276.380 2.186 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(C)(C)CO)c1 ZINC000294936378 378029424 /nfs/dbraw/zinc/02/94/24/378029424.db2.gz ZWBOMEQHKUNYIW-NSHDSACASA-N 1 0 267.369 2.460 20 10 CECDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC000295080905 378040510 /nfs/dbraw/zinc/04/05/10/378040510.db2.gz QIQOAWAQGGOCCC-INIZCTEOSA-N 1 0 291.439 2.345 20 10 CECDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(F)ccc1O)C(C)C ZINC000295116549 378043326 /nfs/dbraw/zinc/04/33/26/378043326.db2.gz VWLXQBGKIUAVBD-AWEZNQCLSA-N 1 0 282.359 2.124 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](C)CCCO)c1 ZINC000294850040 378023843 /nfs/dbraw/zinc/02/38/43/378023843.db2.gz RZTIQVWYVVSITP-GFCCVEGCSA-N 1 0 267.369 2.289 20 10 CECDRO COCCn1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)cn1 ZINC000296368002 378506302 /nfs/dbraw/zinc/50/63/02/378506302.db2.gz IMWBYDVMGVEDPR-CQSZACIVSA-N 1 0 287.363 2.012 20 10 CECDRO CCC[C@@H](O)C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000296815671 378654397 /nfs/dbraw/zinc/65/43/97/378654397.db2.gz QJLITNLPHZNVJJ-CQSZACIVSA-N 1 0 296.386 2.117 20 10 CECDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)[C@H](C)N1CCOCC1 ZINC000297766289 378689742 /nfs/dbraw/zinc/68/97/42/378689742.db2.gz OZZGNGZRFFHAOB-YDHLFZDLSA-N 1 0 290.407 2.078 20 10 CECDRO O=C(NCC[NH2+][C@@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297890085 378691551 /nfs/dbraw/zinc/69/15/51/378691551.db2.gz VMDUHYXQXSSAAO-OAHLLOKOSA-N 1 0 296.370 2.399 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@H](C)CO)CC2)cc1 ZINC000305131948 379653262 /nfs/dbraw/zinc/65/32/62/379653262.db2.gz NETHOEQIAHHIMV-ZIAGYGMSSA-N 1 0 292.423 2.271 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)c(O)c1 ZINC000527956744 379856847 /nfs/dbraw/zinc/85/68/47/379856847.db2.gz PMJBQZPGRMVPGS-AEGPPILISA-N 1 0 279.380 2.200 20 10 CECDRO CN1CCc2cc(C[NH2+]C[C@@H]3CCn4ccnc4C3)ccc21 ZINC000366751922 130092748 /nfs/dbraw/zinc/09/27/48/130092748.db2.gz QFSZVDHRVKIEII-OAHLLOKOSA-N 1 0 296.418 2.228 20 10 CECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000273363271 292014160 /nfs/dbraw/zinc/01/41/60/292014160.db2.gz AUFQVJNPHHBURH-VXGBXAGGSA-N 1 0 294.395 2.170 20 10 CECDRO CC(C)(C)C[N@H+](CCCO)Cc1cc2c(cc1O)OCO2 ZINC000093146348 394664375 /nfs/dbraw/zinc/66/43/75/394664375.db2.gz FKKGXVAEPJRMRR-UHFFFAOYSA-N 1 0 295.379 2.351 20 10 CECDRO C[C@@H](O)CC[N@H+](C)Cc1cc(Br)ccc1O ZINC000093481040 394666985 /nfs/dbraw/zinc/66/69/85/394666985.db2.gz UZPBSELSAHZXSI-SECBINFHSA-N 1 0 288.185 2.357 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1O ZINC000093645468 394668081 /nfs/dbraw/zinc/66/80/81/394668081.db2.gz VUNJLFDXQGCXFG-CQSZACIVSA-N 1 0 277.364 2.402 20 10 CECDRO CC[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000268573868 394696874 /nfs/dbraw/zinc/69/68/74/394696874.db2.gz RQSUQNCUCJUYMU-CABCVRRESA-N 1 0 279.380 2.144 20 10 CECDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000120610682 394781386 /nfs/dbraw/zinc/78/13/86/394781386.db2.gz HBXGOIGTMBVYJI-VIFPVBQESA-N 1 0 271.744 2.287 20 10 CECDRO COc1cccc(C[N@H+](C)C[C@@H]2CCCO2)c1O ZINC000132961116 394940812 /nfs/dbraw/zinc/94/08/12/394940812.db2.gz NMSFPVYVMKFXIU-LBPRGKRZSA-N 1 0 251.326 2.012 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)c1O ZINC000134493464 394958284 /nfs/dbraw/zinc/95/82/84/394958284.db2.gz BDDOORPNGVQSJL-LLVKDONJSA-N 1 0 294.395 2.184 20 10 CECDRO C[C@@H]([NH2+]C[C@H](C)O)c1ccc(Br)cc1O ZINC000134899609 394959420 /nfs/dbraw/zinc/95/94/20/394959420.db2.gz AUKPKTLUXGEFII-JGVFFNPUSA-N 1 0 274.158 2.186 20 10 CECDRO COCCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000151634093 394977968 /nfs/dbraw/zinc/97/79/68/394977968.db2.gz FKQNNPSNQDXZEJ-CQSZACIVSA-N 1 0 278.396 2.210 20 10 CECDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000368131663 394979059 /nfs/dbraw/zinc/97/90/59/394979059.db2.gz BDWKAAXSXKARIE-ZDUSSCGKSA-N 1 0 257.337 2.115 20 10 CECDRO C[C@H](C(=O)NC1CC1)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372801520 395047374 /nfs/dbraw/zinc/04/73/74/395047374.db2.gz KYSKMDJDJKVLGN-CYBMUJFWSA-N 1 0 299.418 2.119 20 10 CECDRO CC[C@H]1C[N@H+](Cc2ccccc2O)C[C@]2(CCOC2)O1 ZINC000373483714 395061875 /nfs/dbraw/zinc/06/18/75/395061875.db2.gz VUEYXNMJDVPQFJ-HOCLYGCPSA-N 1 0 277.364 2.162 20 10 CECDRO CCOc1cccc(C[N@H+](C)C[C@@H](C)OC)c1O ZINC000289176914 395071232 /nfs/dbraw/zinc/07/12/32/395071232.db2.gz ABSYDTRJHNXRFQ-LLVKDONJSA-N 1 0 253.342 2.258 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000168800220 395088942 /nfs/dbraw/zinc/08/89/42/395088942.db2.gz HBFOFZVAXVUPNA-GRYCIOLGSA-N 1 0 265.353 2.476 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1O ZINC000376040524 395107837 /nfs/dbraw/zinc/10/78/37/395107837.db2.gz ATKVGCRRTGBRIH-HNNXBMFYSA-N 1 0 297.782 2.401 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)C[NH2+]C)cc1 ZINC000178712398 395172378 /nfs/dbraw/zinc/17/23/78/395172378.db2.gz DMBRASSNCMUDJA-ZDUSSCGKSA-N 1 0 277.412 2.005 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCO[C@H]2CCOC2)c1 ZINC000182392001 395240337 /nfs/dbraw/zinc/24/03/37/395240337.db2.gz PUCSOOFZWJBXFE-JSGCOSHPSA-N 1 0 295.379 2.247 20 10 CECDRO C[C@@H]([NH2+]CCN1CCOCC1(C)C)c1ccccc1O ZINC000183488414 395257524 /nfs/dbraw/zinc/25/75/24/395257524.db2.gz VOKORRBRZUIMLC-CYBMUJFWSA-N 1 0 278.396 2.154 20 10 CECDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccccc1O ZINC000183666466 395261297 /nfs/dbraw/zinc/26/12/97/395261297.db2.gz NQAIDTAUVPOKOJ-LLVKDONJSA-N 1 0 264.369 2.205 20 10 CECDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)C(F)(F)F ZINC000183923241 395268258 /nfs/dbraw/zinc/26/82/58/395268258.db2.gz ONLWRPGSPXQYFC-ZDUSSCGKSA-N 1 0 290.329 2.498 20 10 CECDRO CN(C)[C@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCSC1 ZINC000297507174 395343610 /nfs/dbraw/zinc/34/36/10/395343610.db2.gz CIXRNGJQIVTLAC-CJNGLKHVSA-N 1 0 292.448 2.406 20 10 CECDRO C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(Cl)c3[O-])C[C@@H]2C1 ZINC000194534593 395439935 /nfs/dbraw/zinc/43/99/35/395439935.db2.gz AGIFJKKAQATUAD-TXEJJXNPSA-N 1 0 266.772 2.039 20 10 CECDRO COc1cccc(C[NH2+]C[C@H](C)N2CCCCC2)c1O ZINC000038028512 174017688 /nfs/dbraw/zinc/01/76/88/174017688.db2.gz NGKBZBRGZRRKPZ-ZDUSSCGKSA-N 1 0 278.396 2.365 20 10 CECDRO CCOc1cccc(C[NH+]2CCC3(CC2)OCCO3)c1O ZINC000077253445 177241809 /nfs/dbraw/zinc/24/18/09/177241809.db2.gz AAPOWUIZOXTZKU-UHFFFAOYSA-N 1 0 293.363 2.130 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CCC[N@@H+](C)CC2)c1O ZINC000037322870 260088214 /nfs/dbraw/zinc/08/82/14/260088214.db2.gz LUIJLOWTDRCMAR-UHFFFAOYSA-N 1 0 296.798 2.386 20 10 CECDRO COc1cccc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1O ZINC000092047215 260266853 /nfs/dbraw/zinc/26/68/53/260266853.db2.gz PFMSJEOBEZEAHJ-HNNXBMFYSA-N 1 0 290.407 2.461 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCSCC1)c1ccccc1O ZINC000223816427 260371521 /nfs/dbraw/zinc/37/15/21/260371521.db2.gz QOHKJHVEZXWPDD-CQSZACIVSA-N 1 0 280.437 2.482 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000152426301 261063894 /nfs/dbraw/zinc/06/38/94/261063894.db2.gz BQBZUEFHGFKGEK-ZBFHGGJFSA-N 1 0 289.423 2.414 20 10 CECDRO COC[C@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000155406810 261101420 /nfs/dbraw/zinc/10/14/20/261101420.db2.gz XPLLTZUYEQBMEK-CABCVRRESA-N 1 0 292.423 2.456 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000158900490 261173505 /nfs/dbraw/zinc/17/35/05/261173505.db2.gz FOYGNEDKJDFORH-UHFFFAOYSA-N 1 0 283.375 2.418 20 10 CECDRO CCOC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160349837 261211440 /nfs/dbraw/zinc/21/14/40/261211440.db2.gz MDNLEJLOZXNYSD-LBPRGKRZSA-N 1 0 295.379 2.268 20 10 CECDRO COc1cc(O)c(CN2CCO[C@H](C)[C@@H]2C)cc1OC ZINC000160432082 261214521 /nfs/dbraw/zinc/21/45/21/261214521.db2.gz BCNOQCBPZBMSJE-WDEREUQCSA-N 1 0 281.352 2.019 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC)cc1 ZINC000163479870 261318747 /nfs/dbraw/zinc/31/87/47/261318747.db2.gz ZFNAAAJJQOJYNK-ZDUSSCGKSA-N 1 0 298.452 2.228 20 10 CECDRO CC(C)(CCO)[NH2+]Cc1cc(Br)ccc1O ZINC000164846905 261360122 /nfs/dbraw/zinc/36/01/22/261360122.db2.gz JYKQADXNOLSDTL-UHFFFAOYSA-N 1 0 288.185 2.405 20 10 CECDRO CC[C@H](O)CC[NH2+]Cc1cc(Br)ccc1O ZINC000166139401 261384090 /nfs/dbraw/zinc/38/40/90/261384090.db2.gz RWCUWWVGLOAACP-NSHDSACASA-N 1 0 288.185 2.405 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000166458715 261389444 /nfs/dbraw/zinc/38/94/44/261389444.db2.gz ZENKZZNWBJGFJI-STQMWFEESA-N 1 0 293.386 2.025 20 10 CECDRO COCCCN(C)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000166744778 261393120 /nfs/dbraw/zinc/39/31/20/261393120.db2.gz YUPINNXHPUBDEC-HNNXBMFYSA-N 1 0 293.455 2.372 20 10 CECDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)CC2 ZINC000185318281 262050732 /nfs/dbraw/zinc/05/07/32/262050732.db2.gz XUBWENHTKWTETL-JOYOIKCWSA-N 1 0 290.342 2.097 20 10 CECDRO C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1cc(F)ccc1O ZINC000185505648 262057738 /nfs/dbraw/zinc/05/77/38/262057738.db2.gz KGOWRUVTZNMLLX-QWHCGFSZSA-N 1 0 296.386 2.150 20 10 CECDRO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000185619592 262062810 /nfs/dbraw/zinc/06/28/10/262062810.db2.gz MODUNKGOCXOFFG-CYBMUJFWSA-N 1 0 263.337 2.228 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)c1 ZINC000185673379 262064686 /nfs/dbraw/zinc/06/46/86/262064686.db2.gz CFPTUJKDTYMSCH-SGMGOOAPSA-N 1 0 295.379 2.245 20 10 CECDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185467086 262305155 /nfs/dbraw/zinc/30/51/55/262305155.db2.gz RMQAWVNUUXPQNI-SWLSCSKDSA-N 1 0 267.369 2.139 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000283833584 263084509 /nfs/dbraw/zinc/08/45/09/263084509.db2.gz FHNMSPNXJBXHKB-ZBFHGGJFSA-N 1 0 294.439 2.000 20 10 CECDRO COc1cccc([C@@H](O)C[NH2+]Cc2ccccc2O)c1 ZINC000134521970 264511726 /nfs/dbraw/zinc/51/17/26/264511726.db2.gz BCPHWVBLRISSPF-INIZCTEOSA-N 1 0 273.332 2.224 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@H+](C)[C@@H]1CCCCNC1=O ZINC000368022060 267136601 /nfs/dbraw/zinc/13/66/01/267136601.db2.gz MPZOSYBBUWJYFH-UONOGXRCSA-N 1 0 276.380 2.444 20 10 CECDRO COc1cccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c1O ZINC000369515098 267247509 /nfs/dbraw/zinc/24/75/09/267247509.db2.gz GZKYPTZKYXRDSG-UHFFFAOYSA-N 1 0 286.331 2.060 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2O)CC12CCC2 ZINC000369645185 267257066 /nfs/dbraw/zinc/25/70/66/267257066.db2.gz AVXLOFPVONSMIU-AWEZNQCLSA-N 1 0 289.375 2.476 20 10 CECDRO C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273570617 298416315 /nfs/dbraw/zinc/41/63/15/298416315.db2.gz KNGITJUFLHKYAE-GHMZBOCLSA-N 1 0 281.356 2.291 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)c(O)c1C ZINC000527959833 313221159 /nfs/dbraw/zinc/22/11/59/313221159.db2.gz ZIILHJPCHHQMQN-CFVMTHIKSA-N 1 0 279.380 2.200 20 10 CECDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000268966083 328187647 /nfs/dbraw/zinc/18/76/47/328187647.db2.gz YMWHPEMLZUMHCZ-HOCLYGCPSA-N 1 0 291.439 2.124 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1O ZINC000291305050 328262954 /nfs/dbraw/zinc/26/29/54/328262954.db2.gz QZSNOUMAVOTZNC-LBPRGKRZSA-N 1 0 271.307 2.150 20 10 CECDRO Oc1cccc(Cl)c1CN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000377709677 329026188 /nfs/dbraw/zinc/02/61/88/329026188.db2.gz ZGDGDKWTMBQIAX-ZFWWWQNUSA-N 1 0 297.782 2.425 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000378109231 329040187 /nfs/dbraw/zinc/04/01/87/329040187.db2.gz JUAAANWDKYWSRX-CYBMUJFWSA-N 1 0 257.337 2.071 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000378459979 329051614 /nfs/dbraw/zinc/05/16/14/329051614.db2.gz UZWFNWGBVYKCEK-GOEBONIOSA-N 1 0 277.364 2.128 20 10 CECDRO CCCC(=O)N1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000378491656 329052472 /nfs/dbraw/zinc/05/24/72/329052472.db2.gz FQEJHENDJARQHP-UHFFFAOYSA-N 1 0 294.370 2.366 20 10 CECDRO CCOc1cccc(CN2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1O ZINC000378526666 329054220 /nfs/dbraw/zinc/05/42/20/329054220.db2.gz QZULGKSNKOCKFX-HIFRSBDPSA-N 1 0 290.407 2.317 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCCn2ccnc2)c1O ZINC000228668892 329059092 /nfs/dbraw/zinc/05/90/92/329059092.db2.gz FYZCCFKFYICCHS-UHFFFAOYSA-N 1 0 295.770 2.431 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1O ZINC000249849249 329911312 /nfs/dbraw/zinc/91/13/12/329911312.db2.gz PBJAYHXDSMQAGF-GUTXKFCHSA-N 1 0 277.364 2.448 20 10 CECDRO CCn1nncc1C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000527918868 330295495 /nfs/dbraw/zinc/29/54/95/330295495.db2.gz FJWAXRJOBBWWJW-CABZTGNLSA-N 1 0 290.342 2.481 20 10 CECDRO CCn1nncc1C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000527919184 330295516 /nfs/dbraw/zinc/29/55/16/330295516.db2.gz FNEQJLAWQMMHET-GFCCVEGCSA-N 1 0 274.368 2.471 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCCOCCO)cc1 ZINC000227332271 333280748 /nfs/dbraw/zinc/28/07/48/333280748.db2.gz QSZIFIZSNCSLFU-UHFFFAOYSA-N 1 0 280.412 2.021 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccccc1O ZINC000135719319 334137051 /nfs/dbraw/zinc/13/70/51/334137051.db2.gz XDACWZXBIDJVTG-MNOVXSKESA-N 1 0 264.369 2.346 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC[C@H]2CCO)c1O ZINC000279281453 518286958 /nfs/dbraw/zinc/28/69/58/518286958.db2.gz ONLIMJOLNCNUBC-NHYWBVRUSA-N 1 0 295.354 2.375 20 10 CECDRO CC(C)C(=O)N1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000037142592 519457539 /nfs/dbraw/zinc/45/75/39/519457539.db2.gz HAQFKXGOUTYBAT-UHFFFAOYSA-N 1 0 276.380 2.129 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2CCCOC2)c(O)c1 ZINC000236838600 520371534 /nfs/dbraw/zinc/37/15/34/520371534.db2.gz OJYADNZNDVOYGA-CYBMUJFWSA-N 1 0 265.353 2.450 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CCSCC2)c1 ZINC000126227079 521148095 /nfs/dbraw/zinc/14/80/95/521148095.db2.gz OXPQQJJUEOEFNN-UHFFFAOYSA-N 1 0 253.367 2.340 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000035134368 521745459 /nfs/dbraw/zinc/74/54/59/521745459.db2.gz FLOZJWMSZCXZIE-AWEZNQCLSA-N 1 0 289.423 2.291 20 10 CECDRO COC[C@H](C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000045656224 522582050 /nfs/dbraw/zinc/58/20/50/522582050.db2.gz UIWNBNQOJSPKRQ-GHMZBOCLSA-N 1 0 253.342 2.334 20 10 CECDRO CC[C@H]([NH2+]CC[C@H](O)COC)c1ccc(C)cc1O ZINC000280151581 522599630 /nfs/dbraw/zinc/59/96/30/522599630.db2.gz QGAKUUUVVMTLBK-JSGCOSHPSA-N 1 0 267.369 2.139 20 10 CECDRO CC[C@H]([NH2+]CCc1nc(C)n[nH]1)c1ccc(C)cc1O ZINC000280251945 522602352 /nfs/dbraw/zinc/60/23/52/522602352.db2.gz WSFDTZQFXVAIQU-ZDUSSCGKSA-N 1 0 274.368 2.411 20 10 CECDRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000278890246 522638423 /nfs/dbraw/zinc/63/84/23/522638423.db2.gz TXZCBNJFWJLRSZ-XOKHGSTOSA-N 1 0 292.423 2.333 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1OC ZINC000127237025 522781297 /nfs/dbraw/zinc/78/12/97/522781297.db2.gz NTQLBHQMGYGABB-GFCCVEGCSA-N 1 0 295.379 2.457 20 10 CECDRO CC[C@@H]([NH2+]C[C@H](COC)OC)c1ccc(C)cc1O ZINC000280269075 522861398 /nfs/dbraw/zinc/86/13/98/522861398.db2.gz XSTPRBNEUPVDIO-TZMCWYRMSA-N 1 0 267.369 2.403 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)CN1CCOCC1)c1ccc(C)cc1O ZINC000280032652 522933210 /nfs/dbraw/zinc/93/32/10/522933210.db2.gz IHKLIWWUVRIUKA-GDBMZVCRSA-N 1 0 292.423 2.462 20 10 CECDRO COCc1ccc(C[NH2+]Cc2cccc(OC)c2O)o1 ZINC000289548753 522987396 /nfs/dbraw/zinc/98/73/96/522987396.db2.gz XLYBLNVKOQOSAF-UHFFFAOYSA-N 1 0 277.320 2.430 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037823739 523385720 /nfs/dbraw/zinc/38/57/20/523385720.db2.gz HDWRBWKRONVASR-QEJZJMRPSA-N 1 0 288.391 2.271 20 10 CECDRO CN(C)C(C)(C)C[NH2+]Cc1c(O)cccc1Cl ZINC000083551290 524033358 /nfs/dbraw/zinc/03/33/58/524033358.db2.gz QOEHKIAWJPORMR-UHFFFAOYSA-N 1 0 256.777 2.475 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCOCCO)c(O)c1 ZINC000285054272 524329583 /nfs/dbraw/zinc/32/95/83/524329583.db2.gz IPZBGGQLWPQNJM-CYBMUJFWSA-N 1 0 267.369 2.059 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](C2CC2)O1 ZINC000280502521 524613999 /nfs/dbraw/zinc/61/39/99/524613999.db2.gz GGJYRRRXMVHYFK-QFYYESIMSA-N 1 0 291.347 2.120 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCN2CCC(C)CC2)c1 ZINC000040771652 524748662 /nfs/dbraw/zinc/74/86/62/524748662.db2.gz PEWODTLVTVAZEJ-UHFFFAOYSA-N 1 0 278.396 2.222 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCN2CCCCCC2)c1 ZINC000040767581 524750817 /nfs/dbraw/zinc/75/08/17/524750817.db2.gz LVCOWUQOKUMNKU-UHFFFAOYSA-N 1 0 278.396 2.366 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](C)OC)c1 ZINC000290036113 524775395 /nfs/dbraw/zinc/77/53/95/524775395.db2.gz DEIUVXCYWVSRCT-VWYCJHECSA-N 1 0 253.342 2.475 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1C ZINC000280390745 525317817 /nfs/dbraw/zinc/31/78/17/525317817.db2.gz WWBAUHFHDZTODN-PBHICJAKSA-N 1 0 291.391 2.389 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CC(O)(c3ccccc3)C2)c1 ZINC000291519856 525338547 /nfs/dbraw/zinc/33/85/47/525338547.db2.gz JAIPJJGHOJVXJC-UHFFFAOYSA-N 1 0 269.344 2.404 20 10 CECDRO C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(F)ccc1O ZINC000281024380 525423286 /nfs/dbraw/zinc/42/32/86/525423286.db2.gz MNUVIQSEAHVYII-DGIBIBHMSA-N 1 0 285.384 2.483 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCc2cnn(C)n2)c(O)c1 ZINC000293035565 525918479 /nfs/dbraw/zinc/91/84/79/525918479.db2.gz ALXITERKXUUQCD-LBPRGKRZSA-N 1 0 274.368 2.113 20 10 CECDRO Cc1cn[nH]c1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000289907972 526032651 /nfs/dbraw/zinc/03/26/51/526032651.db2.gz NUQFHUBQVQDEJR-UHFFFAOYSA-N 1 0 270.380 2.390 20 10 CECDRO OC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CCC1(F)F ZINC000291272370 527595232 /nfs/dbraw/zinc/59/52/32/527595232.db2.gz NWZDAGSNKHUFKO-VIFPVBQESA-N 1 0 291.725 2.495 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[N@H+](C)CCC ZINC000730282815 574513602 /nfs/dbraw/zinc/51/36/02/574513602.db2.gz PZBOLOLOAMWYEX-UHFFFAOYSA-N 1 0 278.396 2.473 20 10 CECDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000732293122 574618289 /nfs/dbraw/zinc/61/82/89/574618289.db2.gz CRDUSWMBVLODGI-SNVBAGLBSA-N 1 0 268.382 2.058 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@]2(C)CCOC2)c(O)c1 ZINC000733327626 574664405 /nfs/dbraw/zinc/66/44/05/574664405.db2.gz JGUQNCKMPCHYTL-HNNXBMFYSA-N 1 0 265.353 2.307 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C(C)(C)c2cnn(C)c2)c1 ZINC000742374008 575017855 /nfs/dbraw/zinc/01/78/55/575017855.db2.gz OIMSYNDJACQDNV-UHFFFAOYSA-N 1 0 259.353 2.459 20 10 CECDRO COC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000743474195 575105017 /nfs/dbraw/zinc/10/50/17/575105017.db2.gz RJTCWQMLXODVLG-KBPBESRZSA-N 1 0 278.396 2.209 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](OC)C2)c(O)c1 ZINC000746756649 575163953 /nfs/dbraw/zinc/16/39/53/575163953.db2.gz VPULBTSBUXGATC-OLZOCXBDSA-N 1 0 265.353 2.448 20 10 CECDRO C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccc(N2CCOCC2)cc1 ZINC000749915594 575239873 /nfs/dbraw/zinc/23/98/73/575239873.db2.gz MZASWDACBZIZMY-CYBMUJFWSA-N 1 0 286.379 2.097 20 10 CECDRO CCC[NH+]1CCC(NC(=O)c2ccc(C)c(O)c2O)CC1 ZINC000751533825 575291515 /nfs/dbraw/zinc/29/15/15/575291515.db2.gz SHKGJPKNUYRPDA-UHFFFAOYSA-N 1 0 292.379 2.010 20 10 CECDRO CCOc1cccc(CN(C)C[C@H]2CCC[N@@H+]2C)c1O ZINC000211723362 622694069 /nfs/dbraw/zinc/69/40/69/622694069.db2.gz QVAQCALGBVVIKK-CQSZACIVSA-N 1 0 278.396 2.317 20 10 CECDRO C[C@H]([NH2+]Cc1cnn(C)n1)c1cc2c(cc1O)CCCC2 ZINC000806167428 622871238 /nfs/dbraw/zinc/87/12/38/622871238.db2.gz VRCHUVFCDJRCPJ-NSHDSACASA-N 1 0 286.379 2.250 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1cc2c(cc1O)CCCC2 ZINC000840834651 623460009 /nfs/dbraw/zinc/46/00/09/623460009.db2.gz YZEVLBDOJIMMES-VXGBXAGGSA-N 1 0 288.391 2.058 20 10 CECDRO C[N@H+](CCOC[C@@H]1CCCO1)Cc1ccccc1O ZINC000152295214 625671340 /nfs/dbraw/zinc/67/13/40/625671340.db2.gz VCHBNCWTOQTHPG-AWEZNQCLSA-N 1 0 265.353 2.020 20 10 CECDRO COc1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c(O)c1OC ZINC000891796342 623976542 /nfs/dbraw/zinc/97/65/42/623976542.db2.gz CNTQNXJIEVVYLE-LLVKDONJSA-N 1 0 295.379 2.409 20 10 CECDRO COc1ccc(C[NH+]2C[C@@H](C)[C@H](C)C2)c(O)c1OC ZINC000892067881 624292911 /nfs/dbraw/zinc/29/29/11/624292911.db2.gz BRILBVAOYQUEFH-GHMZBOCLSA-N 1 0 265.353 2.497 20 10 CECDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892180358 624384545 /nfs/dbraw/zinc/38/45/45/624384545.db2.gz OSOHURVJWISUNW-GFCCVEGCSA-N 1 0 295.379 2.268 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2OC)c1O ZINC000278822197 625250162 /nfs/dbraw/zinc/25/01/62/625250162.db2.gz UCBSMDQGDHMWTA-CHWSQXEVSA-N 1 0 265.353 2.448 20 10 CECDRO CC(C)(CN1CCCC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000308627011 627892676 /nfs/dbraw/zinc/89/26/76/627892676.db2.gz AYMWBSJPLBCPAM-UHFFFAOYSA-N 1 0 292.379 2.085 20 10 CECDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893120171 628018490 /nfs/dbraw/zinc/01/84/90/628018490.db2.gz VQZSANAEJITRIX-OAHLLOKOSA-N 1 0 283.368 2.050 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2OC)c(O)c1OC ZINC000893285378 628243656 /nfs/dbraw/zinc/24/36/56/628243656.db2.gz NATCHUWBJIPYSX-YPMHNXCESA-N 1 0 295.379 2.314 20 10 CECDRO COc1ccc(O)c([C@@H](C)N[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000902449057 634671957 /nfs/dbraw/zinc/67/19/57/634671957.db2.gz LKJKSMMCIKKLAY-QMTHXVAHSA-N 1 0 264.369 2.049 20 10 CECDRO CCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCOCC1 ZINC000313893476 628663657 /nfs/dbraw/zinc/66/36/57/628663657.db2.gz PTJSHXZZXOOMDT-UHFFFAOYSA-N 1 0 293.363 2.417 20 10 CECDRO COc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C)c(O)c1OC ZINC000893521418 628673710 /nfs/dbraw/zinc/67/37/10/628673710.db2.gz NJTISQLLBCVIBI-MEBBXXQBSA-N 1 0 281.352 2.067 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000840928742 628733897 /nfs/dbraw/zinc/73/38/97/628733897.db2.gz HTBKFHBLMGZPAN-OAHLLOKOSA-N 1 0 274.364 2.477 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH+](C)C)[C@H]2C)c1O ZINC000314399512 628751520 /nfs/dbraw/zinc/75/15/20/628751520.db2.gz XASFWSBKQGRZTI-MEBBXXQBSA-N 1 0 294.370 2.258 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@H]1CCCO1 ZINC000840941109 628776333 /nfs/dbraw/zinc/77/63/33/628776333.db2.gz SGSJJXWAQBBFKT-DLBZAZTESA-N 1 0 292.423 2.345 20 10 CECDRO C[C@H]1CN(Cc2cc(Br)ccc2O)CC[C@@H]1[NH3+] ZINC000220184840 628823449 /nfs/dbraw/zinc/82/34/49/628823449.db2.gz IZVLXPOCYRRLKS-CABZTGNLSA-N 1 0 299.212 2.324 20 10 CECDRO CC[C@@]1(C)C[N@H+](Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000893908254 629048713 /nfs/dbraw/zinc/04/87/13/629048713.db2.gz UTQCXDRCISUILM-INIZCTEOSA-N 1 0 295.379 2.410 20 10 CECDRO CC(C)([NH3+])CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178710641 629133921 /nfs/dbraw/zinc/13/39/21/629133921.db2.gz SQDJSHHOCIAOEC-UHFFFAOYSA-N 1 0 275.396 2.030 20 10 CECDRO CN(Cc1cc(F)ccc1O)[C@H]1CC(C)(C)OC1=O ZINC000814179794 629210616 /nfs/dbraw/zinc/21/06/16/629210616.db2.gz YTQRJAPZALYETI-NSHDSACASA-N 1 0 267.300 2.057 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(C)cc1O ZINC000794819436 629327430 /nfs/dbraw/zinc/32/74/30/629327430.db2.gz WQBKLVZLNWDXLY-QRTARXTBSA-N 1 0 292.423 2.460 20 10 CECDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CN(C)CCO1)c1ccc(C)cc1O ZINC000794819429 629328171 /nfs/dbraw/zinc/32/81/71/629328171.db2.gz WQBKLVZLNWDXLY-KMFMINBZSA-N 1 0 292.423 2.460 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000894330760 629361316 /nfs/dbraw/zinc/36/13/16/629361316.db2.gz SUAZFWJRHRXUMU-CYBMUJFWSA-N 1 0 287.363 2.079 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c(O)c1OC ZINC000894419501 629451141 /nfs/dbraw/zinc/45/11/41/629451141.db2.gz GIIFFYMBTLCSCB-NWDGAFQWSA-N 1 0 295.379 2.172 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@]2(C)CCO[C@@H]2C)c1O ZINC000894443977 629464799 /nfs/dbraw/zinc/46/47/99/629464799.db2.gz JQQKQKXVXYETFV-IAQYHMDHSA-N 1 0 265.353 2.366 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1O ZINC000894443976 629465002 /nfs/dbraw/zinc/46/50/02/629465002.db2.gz JQQKQKXVXYETFV-ABAIWWIYSA-N 1 0 265.353 2.366 20 10 CECDRO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C[C@@H](C)OC ZINC000894577248 629541500 /nfs/dbraw/zinc/54/15/00/629541500.db2.gz UNYSOJMBOSNZHH-LLVKDONJSA-N 1 0 283.368 2.266 20 10 CECDRO COC1(OC)CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000925078544 629602036 /nfs/dbraw/zinc/60/20/36/629602036.db2.gz HXVMEIAEIHOPIE-OAHLLOKOSA-N 1 0 278.396 2.302 20 10 CECDRO CCC1C[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894812689 629654169 /nfs/dbraw/zinc/65/41/69/629654169.db2.gz GMCIYYHRZBRHSV-UHFFFAOYSA-N 1 0 251.326 2.251 20 10 CECDRO COc1cc(C)cc(C[N@@H+](C)[C@H]2CC[C@@H]2OC)c1O ZINC000902635848 634756149 /nfs/dbraw/zinc/75/61/49/634756149.db2.gz CKQXIVCMGSVEFT-STQMWFEESA-N 1 0 265.353 2.318 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](C)CCCCO)c1O ZINC000894881762 629716143 /nfs/dbraw/zinc/71/61/43/629716143.db2.gz GALYFSJRSUVCHY-LBPRGKRZSA-N 1 0 267.369 2.350 20 10 CECDRO COCC[C@@H](C)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894992181 629782823 /nfs/dbraw/zinc/78/28/23/629782823.db2.gz YEUIHMPIYQLLIE-LLVKDONJSA-N 1 0 267.369 2.471 20 10 CECDRO COc1cc(C)cc(C[NH2+]C2(CO)CCSCC2)c1O ZINC000894985481 629785612 /nfs/dbraw/zinc/78/56/12/629785612.db2.gz PZSBWTGRSFDKOW-UHFFFAOYSA-N 1 0 297.420 2.057 20 10 CECDRO CC1(C[NH2+]Cc2ccc(N3CCSCC3)cc2)COC1 ZINC000796267788 629826301 /nfs/dbraw/zinc/82/63/01/629826301.db2.gz YTZYNVVACFMYAE-UHFFFAOYSA-N 1 0 292.448 2.366 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](CC)C(=O)OC)c1O ZINC000895127868 629933288 /nfs/dbraw/zinc/93/32/88/629933288.db2.gz PZJSYBPLKLKLSR-LBPRGKRZSA-N 1 0 265.353 2.243 20 10 CECDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2CO)c(O)c1OC ZINC000895193308 630025032 /nfs/dbraw/zinc/02/50/32/630025032.db2.gz TZQPTRHKAPHYPH-CYBMUJFWSA-N 1 0 295.379 2.146 20 10 CECDRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882101 630037252 /nfs/dbraw/zinc/03/72/52/630037252.db2.gz WFYUYNYUMASYFS-WFASDCNBSA-N 1 0 292.427 2.096 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCO[C@@H]2CC2(F)F)c1O ZINC000895256428 630063327 /nfs/dbraw/zinc/06/33/27/630063327.db2.gz HBOOCCSCSNRUTA-GFCCVEGCSA-N 1 0 287.306 2.223 20 10 CECDRO COc1c(O)c(C[NH+]2CCC(F)CC2)ccc1[N+](=O)[O-] ZINC000895547085 630238825 /nfs/dbraw/zinc/23/88/25/630238825.db2.gz KWIYZVYLPPOXBR-UHFFFAOYSA-N 1 0 284.287 2.243 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000895581708 630264712 /nfs/dbraw/zinc/26/47/12/630264712.db2.gz QSZOMVILGXHURK-UONOGXRCSA-N 1 0 295.354 2.424 20 10 CECDRO CCN1CC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000895672156 630300846 /nfs/dbraw/zinc/30/08/46/630300846.db2.gz QHRYLWTZQPENDJ-INIZCTEOSA-N 1 0 261.413 2.245 20 10 CECDRO CCN1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1=O ZINC000896728553 630650153 /nfs/dbraw/zinc/65/01/53/630650153.db2.gz BGWSIHPKFXPDIN-INIZCTEOSA-N 1 0 289.423 2.162 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCNc2ccc(C)cn2)c1 ZINC000897182167 630979398 /nfs/dbraw/zinc/97/93/98/630979398.db2.gz VSQJUIIYKZEFIG-UHFFFAOYSA-N 1 0 287.363 2.306 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c1 ZINC000800534013 631132958 /nfs/dbraw/zinc/13/29/58/631132958.db2.gz IUJSGMNKCHTQSD-CQSZACIVSA-N 1 0 297.420 2.100 20 10 CECDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000897346070 631151310 /nfs/dbraw/zinc/15/13/10/631151310.db2.gz RCDPUMRSSONMCE-HNNXBMFYSA-N 1 0 290.407 2.403 20 10 CECDRO CN(C)c1ccc([C@H](CNc2ncccn2)[NH+](C)C)cc1 ZINC000897522365 631618296 /nfs/dbraw/zinc/61/82/96/631618296.db2.gz MTXJKAZLYBXEDZ-HNNXBMFYSA-N 1 0 285.395 2.257 20 10 CECDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841751640 631669175 /nfs/dbraw/zinc/66/91/75/631669175.db2.gz IIZZJGHCFJJQLO-ONGXEEELSA-N 1 0 273.760 2.094 20 10 CECDRO Cc1cc(O)c(C[NH2+]Cc2cnn(CCF)c2)cc1C ZINC000897738107 631908656 /nfs/dbraw/zinc/90/86/56/631908656.db2.gz UGJOXNVGGSIERW-UHFFFAOYSA-N 1 0 277.343 2.465 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2COCCO2)c1O ZINC000808677836 631999650 /nfs/dbraw/zinc/99/96/50/631999650.db2.gz FJSGHTMVBSNPPA-CMPLNLGQSA-N 1 0 285.771 2.420 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cnnn2C)c1O ZINC000808719115 632005959 /nfs/dbraw/zinc/00/59/59/632005959.db2.gz RZVCTACBFOHFJE-SECBINFHSA-N 1 0 280.759 2.333 20 10 CECDRO COc1nn(C)cc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000898026163 632020873 /nfs/dbraw/zinc/02/08/73/632020873.db2.gz XQLQDTPVMYYGKE-UHFFFAOYSA-N 1 0 288.395 2.093 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000898116103 632056739 /nfs/dbraw/zinc/05/67/39/632056739.db2.gz MLRVPCWBQUHZML-OAHLLOKOSA-N 1 0 277.364 2.128 20 10 CECDRO C[N@H+](CCC(N)=O)Cc1cc(-c2ccccc2)ccc1O ZINC000809713748 632131517 /nfs/dbraw/zinc/13/15/17/632131517.db2.gz LAQGJQPWQFOKBB-UHFFFAOYSA-N 1 0 284.359 2.366 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)CCCn1ccnc1C ZINC000809753309 632140438 /nfs/dbraw/zinc/14/04/38/632140438.db2.gz QJKYVKXYFOJVSN-UHFFFAOYSA-N 1 0 289.379 2.428 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCC3)C1)[C@@H](O)CO2 ZINC000840188840 632157167 /nfs/dbraw/zinc/15/71/67/632157167.db2.gz MXZHIUGLPBOUNY-WBMJQRKESA-N 1 0 289.375 2.440 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COC[C@H]2C2CC2)c1 ZINC000898378887 632186368 /nfs/dbraw/zinc/18/63/68/632186368.db2.gz BJULMVZSSANVIX-NZVBXONLSA-N 1 0 277.364 2.476 20 10 CECDRO CCOc1ccc(C[NH2+][C@](C)(CO)C(C)C)c(O)c1 ZINC000810172987 632190591 /nfs/dbraw/zinc/19/05/91/632190591.db2.gz SXLFDQXWAXEBGR-OAHLLOKOSA-N 1 0 267.369 2.288 20 10 CECDRO CC[C@@H]([NH2+]CCO)c1ccc(C(F)(F)F)cc1O ZINC000810206655 632195272 /nfs/dbraw/zinc/19/52/72/632195272.db2.gz BGJCRIPMHCHUJJ-SNVBAGLBSA-N 1 0 263.259 2.444 20 10 CECDRO CC[C@@H](Cn1cncn1)[NH2+]CCCSc1nccs1 ZINC000810219293 632196181 /nfs/dbraw/zinc/19/61/81/632196181.db2.gz PWRPTCQQDIRXPN-NSHDSACASA-N 1 0 297.453 2.285 20 10 CECDRO Cc1ccncc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841042713 632322782 /nfs/dbraw/zinc/32/27/82/632322782.db2.gz MQSNNCXPXVZFCI-KRWDZBQOSA-N 1 0 284.407 2.246 20 10 CECDRO Oc1cc(OCc2ccccc2)ccc1CN[C@H]1CC[NH2+]C1 ZINC000841044791 632347943 /nfs/dbraw/zinc/34/79/43/632347943.db2.gz IEEWDJYGGVXLLJ-INIZCTEOSA-N 1 0 298.386 2.423 20 10 CECDRO CC[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000926989582 632408824 /nfs/dbraw/zinc/40/88/24/632408824.db2.gz XSNQFOVXTBMANL-CZUORRHYSA-N 1 0 289.423 2.320 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)cc1C ZINC000898468503 632507786 /nfs/dbraw/zinc/50/77/86/632507786.db2.gz YNUGDYTYEBMQNS-DOTOQJQBSA-N 1 0 288.391 2.300 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](CC)[C@H]2CCOC2)c1 ZINC000812780533 632575253 /nfs/dbraw/zinc/57/52/53/632575253.db2.gz HSEKQIKAOHLIEP-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](O)C2(C)C)c1O ZINC000812779160 632576276 /nfs/dbraw/zinc/57/62/76/632576276.db2.gz XGPZIYCLLAQASH-ZDUSSCGKSA-N 1 0 265.353 2.136 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1F ZINC000812779587 632577328 /nfs/dbraw/zinc/57/73/28/632577328.db2.gz SILZYIIXEXPPMO-CQSZACIVSA-N 1 0 266.360 2.237 20 10 CECDRO CCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101893 632700925 /nfs/dbraw/zinc/70/09/25/632700925.db2.gz NAHVDHRJMMLCTP-OAHLLOKOSA-N 1 0 292.427 2.017 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C2COCCOC2)c(O)c1C ZINC000813881490 632751284 /nfs/dbraw/zinc/75/12/84/632751284.db2.gz YRCMAZVMHFNDPA-LBPRGKRZSA-N 1 0 265.353 2.075 20 10 CECDRO Cc1cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)ccc1N(C)C ZINC000815037769 632951720 /nfs/dbraw/zinc/95/17/20/632951720.db2.gz VHCKBVWTYUJUSV-OAHLLOKOSA-N 1 0 289.423 2.291 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)ccc1N(C)C ZINC000815095167 632957950 /nfs/dbraw/zinc/95/79/50/632957950.db2.gz AMUJVLPQKGKLMP-LRDDRELGSA-N 1 0 289.423 2.147 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1 ZINC000815102967 632960038 /nfs/dbraw/zinc/96/00/38/632960038.db2.gz NCAWHZJRHFCTIS-HNNXBMFYSA-N 1 0 262.397 2.345 20 10 CECDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000815563915 633031037 /nfs/dbraw/zinc/03/10/37/633031037.db2.gz ROQAVOMQSPQCNO-AWEZNQCLSA-N 1 0 292.423 2.426 20 10 CECDRO CCNC(=O)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816494100 633399368 /nfs/dbraw/zinc/39/93/68/633399368.db2.gz YGCBZFVYKFKTPB-UHFFFAOYSA-N 1 0 272.348 2.113 20 10 CECDRO COc1c(O)c(C[N@@H+]2C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000816647221 633455842 /nfs/dbraw/zinc/45/58/42/633455842.db2.gz PKANKUOWYUZCQJ-DTWKUNHWSA-N 1 0 266.297 2.149 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(OC(=O)N(C)C)CC2)c1 ZINC000816655226 633457821 /nfs/dbraw/zinc/45/78/21/633457821.db2.gz WYQFQRHINBCUHA-UHFFFAOYSA-N 1 0 292.379 2.363 20 10 CECDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000816660916 633458801 /nfs/dbraw/zinc/45/88/01/633458801.db2.gz UXQALDPEEASLPE-HNNXBMFYSA-N 1 0 261.413 2.279 20 10 CECDRO CCOc1ccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c(O)c1 ZINC000817412579 633650640 /nfs/dbraw/zinc/65/06/40/633650640.db2.gz MVWFCQXTLISADQ-QWHCGFSZSA-N 1 0 279.380 2.241 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(CC(N)=O)CC2)cc1 ZINC000817411591 633651240 /nfs/dbraw/zinc/65/12/40/633651240.db2.gz VJAASXZVYDKQCI-ONEGZZNKSA-N 1 0 287.407 2.011 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c1O ZINC000817419143 633655791 /nfs/dbraw/zinc/65/57/91/633655791.db2.gz BVDAQNJNPSORGU-LBPRGKRZSA-N 1 0 295.379 2.075 20 10 CECDRO COC1([C@@H](C)[NH2+]Cc2cc(C)ccc2O)CCOCC1 ZINC000817419408 633656350 /nfs/dbraw/zinc/65/63/50/633656350.db2.gz GSLQIKLNDBVXHZ-CYBMUJFWSA-N 1 0 279.380 2.374 20 10 CECDRO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1cc(Cl)ccc1O ZINC000817941441 633789863 /nfs/dbraw/zinc/78/98/63/633789863.db2.gz QHJACSDRZYVOLU-MWLCHTKSSA-N 1 0 254.761 2.448 20 10 CECDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817945273 633792337 /nfs/dbraw/zinc/79/23/37/633792337.db2.gz YSIHXDKKYWHDAB-DTWKUNHWSA-N 1 0 274.286 2.424 20 10 CECDRO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cc(F)ccc1O ZINC000817950802 633796038 /nfs/dbraw/zinc/79/60/38/633796038.db2.gz ZGECGCNAYHRQBA-PWSUYJOCSA-N 1 0 252.333 2.324 20 10 CECDRO CCN(C)c1ccc([C@H](C)NCC[NH2+]CCOC)cc1 ZINC000817964375 633805913 /nfs/dbraw/zinc/80/59/13/633805913.db2.gz AAILNBBKMREYFV-AWEZNQCLSA-N 1 0 279.428 2.029 20 10 CECDRO C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817965790 633808333 /nfs/dbraw/zinc/80/83/33/633808333.db2.gz CISCEAJOBLOGJQ-ABAIWWIYSA-N 1 0 293.367 2.341 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817967864 633810184 /nfs/dbraw/zinc/81/01/84/633810184.db2.gz CVWAEUYSXKSFPB-QWRGUYRKSA-N 1 0 279.340 2.093 20 10 CECDRO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1cc(F)ccc1O ZINC000817967855 633810384 /nfs/dbraw/zinc/81/03/84/633810384.db2.gz CUQOZQLSCURHAT-KWBADKCTSA-N 1 0 252.333 2.180 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(F)cc(F)c1[O-] ZINC000817976580 633819767 /nfs/dbraw/zinc/81/97/67/633819767.db2.gz OGDVTOLMXNWHRQ-NOZJJQNGSA-N 1 0 282.334 2.463 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc(F)cc(F)c1[O-] ZINC000817982706 633827042 /nfs/dbraw/zinc/82/70/42/633827042.db2.gz VOVRPENVPIYNIG-NGZCFLSTSA-N 1 0 270.323 2.448 20 10 CECDRO COc1ccc(O)c([C@@H](C)N[C@H]2CCCC[NH2+]C2)c1 ZINC000817984126 633827444 /nfs/dbraw/zinc/82/74/44/633827444.db2.gz NQIRRRJKZGPKPT-NEPJUHHUSA-N 1 0 264.369 2.194 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000819897040 634277258 /nfs/dbraw/zinc/27/72/58/634277258.db2.gz NUJKQTRDAOPYQG-OAHLLOKOSA-N 1 0 286.379 2.438 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000820041438 634320241 /nfs/dbraw/zinc/32/02/41/634320241.db2.gz LVHDOAVWJVEIML-AWEZNQCLSA-N 1 0 289.423 2.019 20 10 CECDRO C[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccccc1O ZINC000903387309 635097923 /nfs/dbraw/zinc/09/79/23/635097923.db2.gz GRTFNBYKOWNZSE-WFASDCNBSA-N 1 0 277.364 2.381 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C2CC2)c1O ZINC000903440580 635119762 /nfs/dbraw/zinc/11/97/62/635119762.db2.gz QTWWYSSJJCJCCC-ZLKJLUDKSA-N 1 0 277.364 2.476 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)ccc1N(C)C ZINC000823468331 635188936 /nfs/dbraw/zinc/18/89/36/635188936.db2.gz FUXONKNYFAIYKB-INIZCTEOSA-N 1 0 299.422 2.490 20 10 CECDRO CN(C)c1ccc(/C=C\CN2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000903985879 635404898 /nfs/dbraw/zinc/40/48/98/635404898.db2.gz BTFZORVYCWTCRT-KJPDOMRESA-N 1 0 273.424 2.435 20 10 CECDRO CCC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])OC ZINC000824543202 635447871 /nfs/dbraw/zinc/44/78/71/635447871.db2.gz GOXSCXMMVZYPOB-NSHDSACASA-N 1 0 298.339 2.214 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000824575867 635455033 /nfs/dbraw/zinc/45/50/33/635455033.db2.gz SMTBUAYEVCWKIP-MNOVXSKESA-N 1 0 296.798 2.440 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCCCNC2=O)cc1Cl ZINC000824645394 635469470 /nfs/dbraw/zinc/46/94/70/635469470.db2.gz HLXJXJHLLPNIII-CYBMUJFWSA-N 1 0 296.798 2.455 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000824703123 635481213 /nfs/dbraw/zinc/48/12/13/635481213.db2.gz VWVIVOSOARPWME-KGLIPLIRSA-N 1 0 275.348 2.053 20 10 CECDRO COc1cc(O)c(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)cc1OC ZINC000824815317 635503350 /nfs/dbraw/zinc/50/33/50/635503350.db2.gz LRHBUMJNLOWLKT-FZMZJTMJSA-N 1 0 295.379 2.266 20 10 CECDRO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(N)nn1 ZINC000904302902 635555239 /nfs/dbraw/zinc/55/52/39/635555239.db2.gz ZDNVDANRNITBGB-UHFFFAOYSA-N 1 0 285.395 2.147 20 10 CECDRO C[C@@H]1CC[C@@H](NCc2ccc3c(c2)CCCO3)C[NH2+]1 ZINC000904380798 635604495 /nfs/dbraw/zinc/60/44/95/635604495.db2.gz GXMYUTSFBHPXIS-IUODEOHRSA-N 1 0 260.381 2.242 20 10 CECDRO CC1(C)C[NH2+]C[C@H]1NCc1cc(Cl)ccc1O ZINC000904463234 635635745 /nfs/dbraw/zinc/63/57/45/635635745.db2.gz OJQXRAQWNUCGCP-GFCCVEGCSA-N 1 0 254.761 2.133 20 10 CECDRO CC[N@H+](Cc1cc(Cl)c(C)cc1O)[C@@H]1CCNC1=O ZINC000825773528 635711249 /nfs/dbraw/zinc/71/12/49/635711249.db2.gz JFMRIGUSNLQEHY-GFCCVEGCSA-N 1 0 282.771 2.064 20 10 CECDRO COc1cc(C[N@H+](C)CCC(N)=O)c(O)c(C(C)(C)C)c1 ZINC000825893318 635729487 /nfs/dbraw/zinc/72/94/87/635729487.db2.gz VTOKQFBPIJXQMR-UHFFFAOYSA-N 1 0 294.395 2.006 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)c(O)c1 ZINC000842776766 635775722 /nfs/dbraw/zinc/77/57/22/635775722.db2.gz ZRIBUOZRXZLGSO-ZYHUDNBSSA-N 1 0 251.326 2.058 20 10 CECDRO CC1CCN(C(=[NH2+])NCc2c(O)cccc2F)CC1 ZINC000905032868 635780827 /nfs/dbraw/zinc/78/08/27/635780827.db2.gz ZYCTVAHSHJOINA-UHFFFAOYSA-N 1 0 265.332 2.288 20 10 CECDRO COC[C@H](CC[NH2+]Cc1cc(Cl)cc(C)c1O)OC ZINC000826839039 635857640 /nfs/dbraw/zinc/85/76/40/635857640.db2.gz NPXHYOYAOZAOPD-ZDUSSCGKSA-N 1 0 287.787 2.495 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1 ZINC000827151443 636237193 /nfs/dbraw/zinc/23/71/93/636237193.db2.gz BEHKENYUCFGNEH-RYUDHWBXSA-N 1 0 279.380 2.240 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151679 636237923 /nfs/dbraw/zinc/23/79/23/636237923.db2.gz IASXWDNAWONPIZ-HNNXBMFYSA-N 1 0 265.328 2.268 20 10 CECDRO C[C@H]1C[NH+](Cc2cc(Cl)ccc2O)C[C@H](C)C1O ZINC000827151451 636238092 /nfs/dbraw/zinc/23/80/92/636238092.db2.gz BIHPKJJCPPCDJN-UWVGGRQHSA-N 1 0 269.772 2.494 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c1O ZINC000827152366 636239275 /nfs/dbraw/zinc/23/92/75/636239275.db2.gz SPVMHMALRPSTPH-MRXNPFEDSA-N 1 0 277.364 2.138 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000827205401 636256188 /nfs/dbraw/zinc/25/61/88/636256188.db2.gz MINDJSGTBYRCKT-CZUORRHYSA-N 1 0 276.380 2.258 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c(O)c1 ZINC000827284301 636280007 /nfs/dbraw/zinc/28/00/07/636280007.db2.gz UPENTPDTLGREIL-CJNGLKHVSA-N 1 0 277.364 2.259 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1F ZINC000827595206 636362244 /nfs/dbraw/zinc/36/22/44/636362244.db2.gz MNYKOBYUYFKGCP-ZIAGYGMSSA-N 1 0 278.371 2.360 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c1 ZINC000827634537 636371679 /nfs/dbraw/zinc/37/16/79/636371679.db2.gz SENTXEXYAUZMNQ-CQSZACIVSA-N 1 0 288.391 2.145 20 10 CECDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000827812731 636431026 /nfs/dbraw/zinc/43/10/26/636431026.db2.gz WIYRNAZWYPOEHH-OTCDBFHCSA-N 1 0 283.755 2.395 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCCN(C=O)CC2)cc1Cl ZINC000827867411 636447466 /nfs/dbraw/zinc/44/74/66/636447466.db2.gz HRGUPVLSQOTMSM-UHFFFAOYSA-N 1 0 282.771 2.018 20 10 CECDRO CC(C)[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](C)[NH3+] ZINC000827901603 636455688 /nfs/dbraw/zinc/45/56/88/636455688.db2.gz RYLHNBXKNMEFLS-ABAIWWIYSA-N 1 0 295.402 2.127 20 10 CECDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000828327813 636571336 /nfs/dbraw/zinc/57/13/36/636571336.db2.gz SPSREEGVJDNQMU-AWEZNQCLSA-N 1 0 274.364 2.107 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)CCCCCC[NH3+])c1 ZINC000828667450 636650640 /nfs/dbraw/zinc/65/06/40/636650640.db2.gz PYTNOYNHLLDDBY-GFCCVEGCSA-N 1 0 294.395 2.487 20 10 CECDRO C[C@H]([NH2+]Cc1cn(C2CC2)nn1)c1ccccc1O ZINC000906323002 636702722 /nfs/dbraw/zinc/70/27/22/636702722.db2.gz NLURNTUSALWPTE-JTQLQIEISA-N 1 0 258.325 2.169 20 10 CECDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000830180243 637000801 /nfs/dbraw/zinc/00/08/01/637000801.db2.gz JTNWZWBERKZYAB-CYBMUJFWSA-N 1 0 280.343 2.020 20 10 CECDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@]1(OC)CCOC1 ZINC000876522511 650301841 /nfs/dbraw/zinc/30/18/41/650301841.db2.gz SWFPLRFZIKUGIE-QGZVFWFLSA-N 1 0 292.423 2.380 20 10 CECDRO O=C(C[C@H]1CCC[NH2+]1)NCc1c(O)ccc2c1CCCC2 ZINC000830597561 637107758 /nfs/dbraw/zinc/10/77/58/637107758.db2.gz ONNMHYGJAIMLOW-CYBMUJFWSA-N 1 0 288.391 2.029 20 10 CECDRO CCCOC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460458 637352230 /nfs/dbraw/zinc/35/22/30/637352230.db2.gz ULEIIKINFJDFAQ-OAHLLOKOSA-N 1 0 293.411 2.492 20 10 CECDRO Cc1cccc2c1CCN2C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876629282 650366442 /nfs/dbraw/zinc/36/64/42/650366442.db2.gz GLVAWKROYDURFZ-NPQIQWPPSA-N 1 0 270.376 2.440 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000876646792 650373838 /nfs/dbraw/zinc/37/38/38/650373838.db2.gz ZJLXQZCCGOPGHP-CQSZACIVSA-N 1 0 260.381 2.371 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000834881017 637977133 /nfs/dbraw/zinc/97/71/33/637977133.db2.gz JONYWMNGCZLFMP-JLJPHGGASA-N 1 0 292.423 2.455 20 10 CECDRO CC[C@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1ccc(C)cc1O ZINC000834892549 637979952 /nfs/dbraw/zinc/97/99/52/637979952.db2.gz WAILKCSOHDAEPZ-JSGCOSHPSA-N 1 0 276.380 2.362 20 10 CECDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000834898692 637981192 /nfs/dbraw/zinc/98/11/92/637981192.db2.gz BLSXIJLGJQVTKA-RYUDHWBXSA-N 1 0 290.407 2.446 20 10 CECDRO CN(C)c1ccc(/C=C\CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000835055069 638040906 /nfs/dbraw/zinc/04/09/06/638040906.db2.gz QASYYQHQJDTEBG-IMBPEULASA-N 1 0 285.435 2.402 20 10 CECDRO COC[C@@](C)(O)CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835054031 638041237 /nfs/dbraw/zinc/04/12/37/638041237.db2.gz GVBQNNDEARNFNE-RTRPANQVSA-N 1 0 292.423 2.143 20 10 CECDRO CON1CCC([N@H+](C)Cc2cc(C)ccc2O)CC1 ZINC000835076264 638050004 /nfs/dbraw/zinc/05/00/04/638050004.db2.gz MLVODMNNLDFHLX-UHFFFAOYSA-N 1 0 264.369 2.158 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000876694843 650403232 /nfs/dbraw/zinc/40/32/32/650403232.db2.gz WFNNIPYPCGLLQQ-ZDUSSCGKSA-N 1 0 272.352 2.129 20 10 CECDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876757367 650422739 /nfs/dbraw/zinc/42/27/39/650422739.db2.gz CKSXTTHFHBDPKL-ZDUSSCGKSA-N 1 0 295.404 2.181 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC000876880805 650470482 /nfs/dbraw/zinc/47/04/82/650470482.db2.gz NDFLYANFRMITFQ-HNNXBMFYSA-N 1 0 292.423 2.147 20 10 CECDRO Cc1ccc2c(c1)CCN2C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876885144 650472660 /nfs/dbraw/zinc/47/26/60/650472660.db2.gz LDBPRXCLMBZYDF-VSKVDJIOSA-N 1 0 270.376 2.440 20 10 CECDRO Cc1ccc(C[NH2+]C[C@H](C(C)C)N2CCOCC2)c(O)c1 ZINC000876908488 650481522 /nfs/dbraw/zinc/48/15/22/650481522.db2.gz MQOSJAYSYNKOFF-MRXNPFEDSA-N 1 0 292.423 2.147 20 10 CECDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000055083787 639340142 /nfs/dbraw/zinc/34/01/42/639340142.db2.gz AYJNACJDICAECB-GFCCVEGCSA-N 1 0 276.384 2.217 20 10 CECDRO COc1cc(C)cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000164434121 639374410 /nfs/dbraw/zinc/37/44/10/639374410.db2.gz VSJXKURHPQLMGJ-CABCVRRESA-N 1 0 290.407 2.378 20 10 CECDRO CCOC1CC([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000224426170 639449707 /nfs/dbraw/zinc/44/97/07/639449707.db2.gz INSGUEZEYWENLL-UHFFFAOYSA-N 1 0 251.326 2.058 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000840557579 639492434 /nfs/dbraw/zinc/49/24/34/639492434.db2.gz RLCYDGWMOKCEPN-KBPBESRZSA-N 1 0 291.439 2.058 20 10 CECDRO COCCOCCCC[NH2+]Cc1cc(F)ccc1O ZINC000226589394 639554397 /nfs/dbraw/zinc/55/43/97/639554397.db2.gz VDELCKOBOZBSIX-UHFFFAOYSA-N 1 0 271.332 2.064 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCOCC(F)(F)F ZINC000226583736 639554578 /nfs/dbraw/zinc/55/45/78/639554578.db2.gz XAQTWTFCVLMUGE-UHFFFAOYSA-N 1 0 267.222 2.200 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCC[S@](C)=O)c(Cl)c1 ZINC000840899360 639576807 /nfs/dbraw/zinc/57/68/07/639576807.db2.gz VPRKHUSUNUKOIT-KRWDZBQOSA-N 1 0 275.801 2.212 20 10 CECDRO CCc1nncn1CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840900746 639577999 /nfs/dbraw/zinc/57/79/99/639577999.db2.gz DGZBZPCDHRIHEE-UHFFFAOYSA-N 1 0 294.786 2.298 20 10 CECDRO CC(=O)N1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840909290 639581975 /nfs/dbraw/zinc/58/19/75/639581975.db2.gz GJWYTQOVMBGRCN-UHFFFAOYSA-N 1 0 289.423 2.115 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C[C@H](C)O ZINC000840936509 639591183 /nfs/dbraw/zinc/59/11/83/639591183.db2.gz KKXZDKFMQNWTMY-STQMWFEESA-N 1 0 250.386 2.310 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000840936155 639591254 /nfs/dbraw/zinc/59/12/54/639591254.db2.gz FPXAOTRLTVIQAR-DZGCQCFKSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000840939064 639592393 /nfs/dbraw/zinc/59/23/93/639592393.db2.gz KFBUKRQVGVKLLK-LRDDRELGSA-N 1 0 289.423 2.147 20 10 CECDRO COCC[C@@H](C)C[NH2+]Cc1cccc(OC)c1O ZINC000840955850 639600531 /nfs/dbraw/zinc/60/05/31/639600531.db2.gz YLBVBVSPRUOAQB-LLVKDONJSA-N 1 0 253.342 2.163 20 10 CECDRO [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841028985 639620925 /nfs/dbraw/zinc/62/09/25/639620925.db2.gz DCDGIVANLNZUNY-GXFFZTMASA-N 1 0 252.333 2.138 20 10 CECDRO Cc1cccc(C[NH2+]C[C@H](N)c2ccccc2)c1O ZINC000841034245 639626502 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639648574 /nfs/dbraw/zinc/64/85/74/639648574.db2.gz KUXUJAQRNYQZTG-NWDGAFQWSA-N 1 0 266.385 2.057 20 10 CECDRO NC[C@H]([NH2+]Cc1cc(F)ccc1O)C1CCCC1 ZINC000841087496 639651862 /nfs/dbraw/zinc/65/18/62/639651862.db2.gz QJZNRKOSDLMXGY-ZDUSSCGKSA-N 1 0 252.333 2.138 20 10 CECDRO CN(C)c1ccc(CN[C@H](C[NH3+])C2CCCC2)cc1F ZINC000841088402 639652424 /nfs/dbraw/zinc/65/24/24/639652424.db2.gz VOAKGEIMBIVIIO-OAHLLOKOSA-N 1 0 279.403 2.499 20 10 CECDRO COC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000876997488 650524931 /nfs/dbraw/zinc/52/49/31/650524931.db2.gz YIQJIWAZGHRNSG-ZDUSSCGKSA-N 1 0 278.352 2.021 20 10 CECDRO Nc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000841300858 639732514 /nfs/dbraw/zinc/73/25/14/639732514.db2.gz XLAIYGULXGXXGT-OAHLLOKOSA-N 1 0 288.395 2.361 20 10 CECDRO C[C@H](NC(=O)Nc1ccc(N)cc1)C(C)(C)C[NH+](C)C ZINC000841300508 639732615 /nfs/dbraw/zinc/73/26/15/639732615.db2.gz SEXPWTJBJOJZDC-NSHDSACASA-N 1 0 278.400 2.367 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2COC(C)(C)O2)c1 ZINC000230206456 639746500 /nfs/dbraw/zinc/74/65/00/639746500.db2.gz RBGIZOVBYZLWAR-ZYHUDNBSSA-N 1 0 281.352 2.203 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000230668646 639778752 /nfs/dbraw/zinc/77/87/52/639778752.db2.gz FYWQKBVDQNHOKH-GDBMZVCRSA-N 1 0 262.397 2.393 20 10 CECDRO CCC(C)(C)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801605 639784952 /nfs/dbraw/zinc/78/49/52/639784952.db2.gz AJZAESMZWXQZHZ-UHFFFAOYSA-N 1 0 289.423 2.203 20 10 CECDRO CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(N(C)C)cc1 ZINC000841654082 639823501 /nfs/dbraw/zinc/82/35/01/639823501.db2.gz MQRVWRFDMWFMTQ-AWEZNQCLSA-N 1 0 292.427 2.069 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(Cl)cc1O ZINC000841743561 639855254 /nfs/dbraw/zinc/85/52/54/639855254.db2.gz AYNQOOHFGFRZDN-BXKDBHETSA-N 1 0 282.771 2.365 20 10 CECDRO C[C@@H]([NH2+]CCN1CCC1)c1ccc(Cl)cc1O ZINC000841752440 639857955 /nfs/dbraw/zinc/85/79/55/639857955.db2.gz SNKZDJHEPRXHSQ-SNVBAGLBSA-N 1 0 254.761 2.402 20 10 CECDRO C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(Cl)cc1O ZINC000841752546 639858784 /nfs/dbraw/zinc/85/87/84/639858784.db2.gz UFNJJZXDNOUCPB-IUCAKERBSA-N 1 0 291.800 2.129 20 10 CECDRO COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841756236 639859932 /nfs/dbraw/zinc/85/99/32/639859932.db2.gz WGLNTGOCVXSTQT-ONGXEEELSA-N 1 0 273.760 2.094 20 10 CECDRO COCC(COC)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841756879 639860014 /nfs/dbraw/zinc/86/00/14/639860014.db2.gz LBCFSRMXDWWCET-SECBINFHSA-N 1 0 273.760 2.358 20 10 CECDRO Nc1ccc(CC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1 ZINC000841855968 639884488 /nfs/dbraw/zinc/88/44/88/639884488.db2.gz KJTVLCCMGUVDED-KRWDZBQOSA-N 1 0 297.402 2.408 20 10 CECDRO CCn1cncc1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000841860442 639885680 /nfs/dbraw/zinc/88/56/80/639885680.db2.gz VHPBNIJBMVPQGY-UHFFFAOYSA-N 1 0 276.359 2.398 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NCC[NH2+]C1CC1 ZINC000841928884 639907115 /nfs/dbraw/zinc/90/71/15/639907115.db2.gz 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ZINC000843052589 640256640 /nfs/dbraw/zinc/25/66/40/640256640.db2.gz OCTCLIFPLYTZDE-AWEZNQCLSA-N 1 0 278.396 2.365 20 10 CECDRO COc1ccc2c(c1)CCCN2C[C@@H]1CCC[NH2+]C1 ZINC000843069979 640267728 /nfs/dbraw/zinc/26/77/28/640267728.db2.gz UNEZKDPQCNNHQX-CYBMUJFWSA-N 1 0 260.381 2.447 20 10 CECDRO CCOc1ccc(O)c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000843105645 640282799 /nfs/dbraw/zinc/28/27/99/640282799.db2.gz UMQIAABAAUBVFD-OKILXGFUSA-N 1 0 276.380 2.117 20 10 CECDRO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000843119732 640288450 /nfs/dbraw/zinc/28/84/50/640288450.db2.gz GDAPQARGVFIRII-JGUVHBTRSA-N 1 0 273.424 2.448 20 10 CECDRO Cc1ccc(O)c(CN2CC[NH2+]C[C@H]2c2ccncc2)c1 ZINC000843120472 640289197 /nfs/dbraw/zinc/28/91/97/640289197.db2.gz MFKSOCUWHCPQRN-INIZCTEOSA-N 1 0 283.375 2.242 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CC[NH2+]C[C@H]2C(F)F)cc1 ZINC000843124432 640290976 /nfs/dbraw/zinc/29/09/76/640290976.db2.gz AGRQTPWIJWHIIU-BWPKMQGJSA-N 1 0 295.377 2.305 20 10 CECDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1c(O)cc(C)cc1Cl ZINC000843122779 640291194 /nfs/dbraw/zinc/29/11/94/640291194.db2.gz USPSEODHOHBUPX-QWRGUYRKSA-N 1 0 286.778 2.486 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125437 640292180 /nfs/dbraw/zinc/29/21/80/640292180.db2.gz WNVLESYWUYWOOI-OLZOCXBDSA-N 1 0 278.371 2.353 20 10 CECDRO Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccco2)c(O)c1 ZINC000877092839 650569188 /nfs/dbraw/zinc/56/91/88/650569188.db2.gz LCUVUBCWNJSDEI-ZDUSSCGKSA-N 1 0 275.348 2.234 20 10 CECDRO C[NH2+][C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000843344612 640396230 /nfs/dbraw/zinc/39/62/30/640396230.db2.gz NQMQWXHPXANEMQ-LBPRGKRZSA-N 1 0 282.771 2.042 20 10 CECDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000843426817 640426935 /nfs/dbraw/zinc/42/69/35/640426935.db2.gz BKEJVTOAEPWHCS-AAEUAGOBSA-N 1 0 297.395 2.296 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000843486097 640441388 /nfs/dbraw/zinc/44/13/88/640441388.db2.gz 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/nfs/dbraw/zinc/15/01/00/641150100.db2.gz UNOBYOONVQULQU-UHFFFAOYSA-N 1 0 277.364 2.138 20 10 CECDRO COC[C@@H](C)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000846053549 641165718 /nfs/dbraw/zinc/16/57/18/641165718.db2.gz ZJPVDSGIOWHCPH-AWEZNQCLSA-N 1 0 280.412 2.346 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](C)COCC2CC2)c1 ZINC000846073897 641174323 /nfs/dbraw/zinc/17/43/23/641174323.db2.gz SRJKRQTYHOXYLO-LLVKDONJSA-N 1 0 265.353 2.306 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1O ZINC000846074163 641174557 /nfs/dbraw/zinc/17/45/57/641174557.db2.gz VWWYEMVHNMTFSA-WFASDCNBSA-N 1 0 288.391 2.444 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846106566 641184459 /nfs/dbraw/zinc/18/44/59/641184459.db2.gz CLLCNNMTHOFEMY-QGZVFWFLSA-N 1 0 292.423 2.082 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C2CCN(C)CC2)c1O ZINC000846138602 641197983 /nfs/dbraw/zinc/19/79/83/641197983.db2.gz WQVWFYWPNOIDFP-LLVKDONJSA-N 1 0 264.369 2.146 20 10 CECDRO CCOCCC[NH2+][C@@H](C)c1cccc(OC)c1O 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Oc1ccc2ccncc2c1C[N@@H+]1CCC2(COC2)C1 ZINC000853595488 643826452 /nfs/dbraw/zinc/82/64/52/643826452.db2.gz QBHGWENFQOWBLK-UHFFFAOYSA-N 1 0 270.332 2.163 20 10 CECDRO COc1ccc(N2CCC[N@H+](Cc3cnccn3)CC2)cc1 ZINC000838801539 644017044 /nfs/dbraw/zinc/01/70/44/644017044.db2.gz ARDWHMYRZFAEJK-UHFFFAOYSA-N 1 0 298.390 2.198 20 10 CECDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(Br)cc1O ZINC000854232167 644018616 /nfs/dbraw/zinc/01/86/16/644018616.db2.gz NVBVIRLDNDTUBK-BDAKNGLRSA-N 1 0 287.201 2.413 20 10 CECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2OC)C1 ZINC000839147470 644157851 /nfs/dbraw/zinc/15/78/51/644157851.db2.gz JVHSHNBDGNPPPS-PHIMTYICSA-N 1 0 251.326 2.058 20 10 CECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(OC)ccc1O ZINC000839191911 644185388 /nfs/dbraw/zinc/18/53/88/644185388.db2.gz MDCRMPAJYCUDPK-OCCSQVGLSA-N 1 0 251.326 2.058 20 10 CECDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1O)C1CCOCC1 ZINC000877758276 650899907 /nfs/dbraw/zinc/89/99/07/650899907.db2.gz QFRCSNIFYXWNIC-LRDDRELGSA-N 1 0 279.380 2.484 20 10 CECDRO C[C@H]([NH2+][C@H]1CCCNC1=O)c1cc2c(cc1O)CCCC2 ZINC000756507251 644657280 /nfs/dbraw/zinc/65/72/80/644657280.db2.gz CTIOVUMKZFHCMF-NHYWBVRUSA-N 1 0 288.391 2.200 20 10 CECDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756579494 644671727 /nfs/dbraw/zinc/67/17/27/644671727.db2.gz ZZNPZBKCOPVONT-SJCJKPOMSA-N 1 0 293.407 2.319 20 10 CECDRO C[C@H](CCO)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756584994 644672411 /nfs/dbraw/zinc/67/24/11/644672411.db2.gz IDVFHWQYDWHGLW-KKZNHRDASA-N 1 0 253.317 2.440 20 10 CECDRO COC(=O)N1CC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000756757807 644689526 /nfs/dbraw/zinc/68/95/26/644689526.db2.gz DPYHNOBYUDUHCY-KWQFWETISA-N 1 0 294.326 2.120 20 10 CECDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cc(F)ccc1O ZINC000756769070 644690407 /nfs/dbraw/zinc/69/04/07/644690407.db2.gz JBOSNDSUWBPXRZ-SKDRFNHKSA-N 1 0 253.317 2.343 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756773629 644691368 /nfs/dbraw/zinc/69/13/68/644691368.db2.gz AMDAVXGQSUOMTN-BNOWGMLFSA-N 1 0 276.380 2.266 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756776130 644691461 /nfs/dbraw/zinc/69/14/61/644691461.db2.gz WPRGWVYLXLGWBX-NDMJEZRESA-N 1 0 280.343 2.097 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c(O)c1C ZINC000756770261 644691598 /nfs/dbraw/zinc/69/15/98/644691598.db2.gz VHQWWBUATGECTC-PWSUYJOCSA-N 1 0 285.409 2.093 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(N)=O)c2c1c(F)ccc2O ZINC000756782955 644692748 /nfs/dbraw/zinc/69/27/48/644692748.db2.gz XAJUINANMLSZLO-SCZZXKLOSA-N 1 0 280.343 2.181 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CCCn2cncn2)c2c1c(F)ccc2O ZINC000756830453 644696655 /nfs/dbraw/zinc/69/66/55/644696655.db2.gz QIGFVYMNBYJWOM-JQWIXIFHSA-N 1 0 290.342 2.351 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@@H]3CCO[C@H]3C)CC2)cc1 ZINC000877912514 650945410 /nfs/dbraw/zinc/94/54/10/650945410.db2.gz XOHOGNZRXYZMAC-GJZGRUSLSA-N 1 0 290.407 2.242 20 10 CECDRO Cc1cc(O)c(CN(C)[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000843048983 644745870 /nfs/dbraw/zinc/74/58/70/644745870.db2.gz CRDUPQSXUWTYFR-JTQLQIEISA-N 1 0 254.761 2.148 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)cc1C ZINC000857061106 644806699 /nfs/dbraw/zinc/80/66/99/644806699.db2.gz KANXBYMLXYHMRA-ABAIWWIYSA-N 1 0 263.381 2.459 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000857084280 644812467 /nfs/dbraw/zinc/81/24/67/644812467.db2.gz LNHZRPQLJXKUBG-IRUJWGPZSA-N 1 0 292.354 2.290 20 10 CECDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C2=CC(=O)CS2)C1 ZINC000839790517 644818361 /nfs/dbraw/zinc/81/83/61/644818361.db2.gz AXJLYXZHXQNOIM-SNVBAGLBSA-N 1 0 268.382 2.008 20 10 CECDRO COC[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)OC ZINC000757638542 644829284 /nfs/dbraw/zinc/82/92/84/644829284.db2.gz QMVUTPGSBFJIOW-SCVCMEIPSA-N 1 0 283.343 2.331 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCn2ccnn2)c(O)c1C ZINC000757657670 644831415 /nfs/dbraw/zinc/83/14/15/644831415.db2.gz MVGYLRFIIVABBM-CYBMUJFWSA-N 1 0 274.368 2.341 20 10 CECDRO COc1cc(Cl)cc(CN2C[C@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857226735 644859850 /nfs/dbraw/zinc/85/98/50/644859850.db2.gz YGXJSOSILQBGOV-ABAIWWIYSA-N 1 0 296.798 2.367 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000115629068 644969710 /nfs/dbraw/zinc/96/97/10/644969710.db2.gz FALIFXGQAZHJIW-UHFFFAOYSA-N 1 0 297.402 2.450 20 10 CECDRO COc1cc(N2CC[NH+](C(C)C)CC2)cc(OC)c1OC ZINC000759887734 645088424 /nfs/dbraw/zinc/08/84/24/645088424.db2.gz WXJNXKXGJHCTLQ-UHFFFAOYSA-N 1 0 294.395 2.243 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000858295850 645109380 /nfs/dbraw/zinc/10/93/80/645109380.db2.gz KFSCAGJJZIZPBE-CZUORRHYSA-N 1 0 277.364 2.448 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c(O)c1 ZINC000760452380 645159433 /nfs/dbraw/zinc/15/94/33/645159433.db2.gz XUCNQQUWTUIBDK-GFCCVEGCSA-N 1 0 293.285 2.194 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)OC)c1ccc(N(C)C)cc1 ZINC000858578519 645207480 /nfs/dbraw/zinc/20/74/80/645207480.db2.gz JTOREOPWOQPTOA-SWLSCSKDSA-N 1 0 293.411 2.202 20 10 CECDRO CCCCNC(=O)CC[N@H+](C)Cc1ccccc1O ZINC000116279508 645237612 /nfs/dbraw/zinc/23/76/12/645237612.db2.gz YOVXJMPIHKLYCJ-UHFFFAOYSA-N 1 0 264.369 2.130 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)C2CC(O)C2)c1O ZINC000761218919 645258119 /nfs/dbraw/zinc/25/81/19/645258119.db2.gz MBXWXZMLQGITNU-UHFFFAOYSA-N 1 0 271.744 2.009 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)CC2(O)CCC2)c1O ZINC000761218311 645258236 /nfs/dbraw/zinc/25/82/36/645258236.db2.gz AEWMOMHFMZARAY-UHFFFAOYSA-N 1 0 285.771 2.401 20 10 CECDRO CCOc1ccc(C[NH2+][C@](C)(CC)CCO)c(O)c1 ZINC000761973274 645343652 /nfs/dbraw/zinc/34/36/52/645343652.db2.gz KSNWYUJEBDKZNR-OAHLLOKOSA-N 1 0 267.369 2.432 20 10 CECDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@H](O)C(F)(F)F ZINC000765785709 645808262 /nfs/dbraw/zinc/80/82/62/645808262.db2.gz CRXVBHNQZJMXNA-SKDRFNHKSA-N 1 0 293.285 2.192 20 10 CECDRO C[NH+]1CCN(c2ccc(CNc3ccon3)cc2)CC1 ZINC000766110129 645848929 /nfs/dbraw/zinc/84/89/29/645848929.db2.gz STAFOLBTVJPJBT-UHFFFAOYSA-N 1 0 272.352 2.039 20 10 CECDRO CC[N@H+](CCOC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768251781 646100828 /nfs/dbraw/zinc/10/08/28/646100828.db2.gz KQZJRFDCCLXTEL-UHFFFAOYSA-N 1 0 296.386 2.131 20 10 CECDRO CC(C)[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CC1 ZINC000768441815 646122019 /nfs/dbraw/zinc/12/20/19/646122019.db2.gz NTFGZJTXLSWKEA-CQSZACIVSA-N 1 0 263.337 2.191 20 10 CECDRO COCCC[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000768440287 646122867 /nfs/dbraw/zinc/12/28/67/646122867.db2.gz QBEJRFLKJCJGES-UHFFFAOYSA-N 1 0 253.342 2.178 20 10 CECDRO CC[C@]1(C)CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768464177 646126558 /nfs/dbraw/zinc/12/65/58/646126558.db2.gz OARHNSSODOJADR-GOEBONIOSA-N 1 0 277.364 2.440 20 10 CECDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464964 646128443 /nfs/dbraw/zinc/12/84/43/646128443.db2.gz CYFPAXZRQTYXBI-HCKVZZMMSA-N 1 0 277.364 2.438 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000768535040 646136622 /nfs/dbraw/zinc/13/66/22/646136622.db2.gz CWMZDWWMBSBRRX-HNNXBMFYSA-N 1 0 290.407 2.244 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCOCC2(C)C)c(O)c1 ZINC000769005783 646191165 /nfs/dbraw/zinc/19/11/65/646191165.db2.gz NREBFFVJHCVMDU-UHFFFAOYSA-N 1 0 265.353 2.402 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769310599 646241477 /nfs/dbraw/zinc/24/14/77/646241477.db2.gz IVOAOOJAUIEOJZ-ZDUSSCGKSA-N 1 0 287.363 2.434 20 10 CECDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(OCC)cc1O ZINC000769937167 646336529 /nfs/dbraw/zinc/33/65/29/646336529.db2.gz NJBJYWJGKHXANV-MASHWEEQSA-N 1 0 265.353 2.208 20 10 CECDRO CN(C)c1cc(F)c(CN2CCC[N@H+](C)CC2)cc1F ZINC000862210214 646364462 /nfs/dbraw/zinc/36/44/62/646364462.db2.gz CZPONYAQCPVKSA-UHFFFAOYSA-N 1 0 283.366 2.168 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c1O ZINC000770285339 646377441 /nfs/dbraw/zinc/37/74/41/646377441.db2.gz GBFWIYHXBKYFCY-KGLIPLIRSA-N 1 0 277.364 2.402 20 10 CECDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2c(O)cccc2Cl)C1 ZINC000770384864 646385197 /nfs/dbraw/zinc/38/51/97/646385197.db2.gz ZNOVOADSEZANCH-GFCCVEGCSA-N 1 0 296.798 2.346 20 10 CECDRO COC[C@@H]1CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862376113 646424963 /nfs/dbraw/zinc/42/49/63/646424963.db2.gz GPEVFZSDAIMRLV-VIFPVBQESA-N 1 0 286.169 2.375 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)cc1C ZINC000862428175 646455881 /nfs/dbraw/zinc/45/58/81/646455881.db2.gz MNOITPLHNDEEGH-AWEZNQCLSA-N 1 0 276.380 2.062 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](C)C[S@](C)=O)cc1 ZINC000773839840 646779266 /nfs/dbraw/zinc/77/92/66/646779266.db2.gz OATVSKHYQQVQAI-DJJJIMSYSA-N 1 0 282.453 2.342 20 10 CECDRO C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000864050274 646870256 /nfs/dbraw/zinc/87/02/56/646870256.db2.gz BAXJZUGIDAGEIR-JGZJWPJOSA-N 1 0 270.323 2.100 20 10 CECDRO COCC[C@]1([NH2+]Cc2ccc(N(C)C)cc2)CCOC1 ZINC000775032242 646917936 /nfs/dbraw/zinc/91/79/36/646917936.db2.gz GRAIACUNXUDRRN-INIZCTEOSA-N 1 0 278.396 2.038 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccccc1O ZINC000775131815 646926157 /nfs/dbraw/zinc/92/61/57/646926157.db2.gz WKFMYZQGNFPONS-KBPBESRZSA-N 1 0 287.359 2.483 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](OC)C2)c1 ZINC000776252576 647042315 /nfs/dbraw/zinc/04/23/15/647042315.db2.gz GZEXEZBVEQXRJS-OLZOCXBDSA-N 1 0 265.353 2.448 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCn3ccnc3C2)c(O)c1 ZINC000778187718 647207026 /nfs/dbraw/zinc/20/70/26/647207026.db2.gz KUAMRUOMOWCGAL-ZDUSSCGKSA-N 1 0 287.363 2.092 20 10 CECDRO CCOc1ccc(C[NH2+]CC2(CCO)CC2)c(O)c1 ZINC000778215926 647211699 /nfs/dbraw/zinc/21/16/99/647211699.db2.gz GVSWXQYRLIMAPQ-UHFFFAOYSA-N 1 0 265.353 2.043 20 10 CECDRO COC[C@](C)(CO)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000865671370 647417068 /nfs/dbraw/zinc/41/70/68/647417068.db2.gz AAZHECUKPKTYHK-KRWDZBQOSA-N 1 0 292.423 2.164 20 10 CECDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000780786879 647468885 /nfs/dbraw/zinc/46/88/85/647468885.db2.gz OOMABHGYTBRZJW-ZJUUUORDSA-N 1 0 255.745 2.248 20 10 CECDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000783518694 647723872 /nfs/dbraw/zinc/72/38/72/647723872.db2.gz NQWFHYGNYOOFQQ-VXGBXAGGSA-N 1 0 253.342 2.094 20 10 CECDRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868217807 648075663 /nfs/dbraw/zinc/07/56/63/648075663.db2.gz YFVDKWFDSFCJHJ-STQMWFEESA-N 1 0 293.411 2.483 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)[C@H]1C ZINC000787246488 648089862 /nfs/dbraw/zinc/08/98/62/648089862.db2.gz QEEMHISXVLZIRA-WCQYABFASA-N 1 0 293.363 2.093 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)[C@H]1C ZINC000787420629 648107552 /nfs/dbraw/zinc/10/75/52/648107552.db2.gz JRIPXIHIUUBXCV-UWVGGRQHSA-N 1 0 283.755 2.429 20 10 CECDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1O ZINC000868374388 648110907 /nfs/dbraw/zinc/11/09/07/648110907.db2.gz RBMHRNRPSHHQQW-FRRDWIJNSA-N 1 0 291.395 2.235 20 10 CECDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC000868622425 648199352 /nfs/dbraw/zinc/19/93/52/648199352.db2.gz IWMVKWVUDRHGKZ-STQMWFEESA-N 1 0 293.411 2.481 20 10 CECDRO CO[C@@]1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CCOC1 ZINC000788748762 648220287 /nfs/dbraw/zinc/22/02/87/648220287.db2.gz AJRKNGIZHQTDNV-XJKSGUPXSA-N 1 0 279.380 2.465 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c(O)c1 ZINC000788971056 648239534 /nfs/dbraw/zinc/23/95/34/648239534.db2.gz ANOFTWQARCLTTG-YPMHNXCESA-N 1 0 265.353 2.042 20 10 CECDRO C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1O ZINC000868750607 648250646 /nfs/dbraw/zinc/25/06/46/648250646.db2.gz RZDBXCKIVPBUGC-UPJWGTAASA-N 1 0 291.395 2.093 20 10 CECDRO COc1ccc(N2CCC[N@H+](CCC[C@H](C)O)CC2)cc1 ZINC000789310284 648286087 /nfs/dbraw/zinc/28/60/87/648286087.db2.gz PZOYMKXWRLLWEN-HNNXBMFYSA-N 1 0 292.423 2.368 20 10 CECDRO Cc1c(C[N@H+](C)Cc2cc(C)ccc2O)cnn1C ZINC000790939001 648463002 /nfs/dbraw/zinc/46/30/02/648463002.db2.gz XZZWCIDRLDBCCV-UHFFFAOYSA-N 1 0 259.353 2.375 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2ncccc2O)cc1 ZINC000793255760 648732012 /nfs/dbraw/zinc/73/20/12/648732012.db2.gz AAZCYAUESYWLIY-UHFFFAOYSA-N 1 0 257.337 2.143 20 10 CECDRO CCOc1ccc(C[NH2+]CCN2CC=CCC2)c(O)c1 ZINC000793318914 648742120 /nfs/dbraw/zinc/74/21/20/648742120.db2.gz JGPSBBSGGDIZNN-UHFFFAOYSA-N 1 0 276.380 2.142 20 10 CECDRO COCCC1([NH2+]Cc2cc(OC)c(OC)cc2O)CCC1 ZINC000793329627 648744141 /nfs/dbraw/zinc/74/41/41/648744141.db2.gz PWWQPWCCZJYZED-UHFFFAOYSA-N 1 0 295.379 2.458 20 10 CECDRO OCC[C@@H]1CCCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000793607650 648781337 /nfs/dbraw/zinc/78/13/37/648781337.db2.gz BLYKRICFDVFTPR-ZDUSSCGKSA-N 1 0 293.363 2.248 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793619144 648782691 /nfs/dbraw/zinc/78/26/91/648782691.db2.gz FVFZYCZWMOKDMH-MRXNPFEDSA-N 1 0 277.364 2.403 20 10 CECDRO CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1O)[C@@H](C)[NH3+] ZINC000870987668 648970815 /nfs/dbraw/zinc/97/08/15/648970815.db2.gz ABYMNZPBDCNQBV-JTNHKYCSSA-N 1 0 264.369 2.189 20 10 CECDRO C[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1O ZINC000870988672 648971133 /nfs/dbraw/zinc/97/11/33/648971133.db2.gz WNAZMSKMAMGMLR-FUDCBSFHSA-N 1 0 288.391 2.490 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)c2c1c(F)ccc2O ZINC000872127364 649285495 /nfs/dbraw/zinc/28/54/95/649285495.db2.gz VHCGOZYDJTZSCO-QFOLPQNPSA-N 1 0 265.328 2.440 20 10 CECDRO CCCOc1ccc(CNC[C@](C)(O)C[NH+](C)C)cc1C ZINC000873094418 649557892 /nfs/dbraw/zinc/55/78/92/649557892.db2.gz IFORINOWPCEWQK-KRWDZBQOSA-N 1 0 294.439 2.186 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000873122545 649562935 /nfs/dbraw/zinc/56/29/35/649562935.db2.gz SUCMNDSHNREMCT-BLLLJJGKSA-N 1 0 290.407 2.398 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H](C)C(=O)NCCF)cc1C ZINC000873122322 649562976 /nfs/dbraw/zinc/56/29/76/649562976.db2.gz QDMCRMLYWJMGSM-CYBMUJFWSA-N 1 0 296.386 2.348 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H](CC)C(=O)NC)cc1C ZINC000873129671 649565178 /nfs/dbraw/zinc/56/51/78/649565178.db2.gz PSUVXZJOENPHNS-AWEZNQCLSA-N 1 0 278.396 2.398 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2COC[C@H]2OC)cc1C ZINC000873133898 649566508 /nfs/dbraw/zinc/56/65/08/649566508.db2.gz LCJJUUXLJBCIDG-GDBMZVCRSA-N 1 0 279.380 2.287 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2C[C@H](O)C2)cc1 ZINC000873178293 649579613 /nfs/dbraw/zinc/57/96/13/649579613.db2.gz NTVNUTIWUYUSNC-BZZBOHJJSA-N 1 0 260.381 2.126 20 10 CECDRO CCOc1ccc(CN2CCCCC[C@@H]([NH3+])C2)c(O)c1 ZINC000873216346 649593463 /nfs/dbraw/zinc/59/34/63/649593463.db2.gz QRFAVMSCSHYVNO-CQSZACIVSA-N 1 0 278.396 2.494 20 10 CECDRO C[N@H+](CCCCCC[NH3+])Cc1cccc(F)c1[O-] ZINC000873231800 649603539 /nfs/dbraw/zinc/60/35/39/649603539.db2.gz VRHHHALWZNLALB-UHFFFAOYSA-N 1 0 254.349 2.482 20 10 CECDRO C[C@H]([NH2+]CCc1nnc2ccccn21)c1ccccc1O ZINC000020128210 649728661 /nfs/dbraw/zinc/72/86/61/649728661.db2.gz FVHVXNUTTWVWOF-LBPRGKRZSA-N 1 0 282.347 2.328 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCCOC[C@H]2CCCO2)c1 ZINC000020146937 649729268 /nfs/dbraw/zinc/72/92/68/649729268.db2.gz IVLPWYONHLIGAI-OAHLLOKOSA-N 1 0 295.379 2.076 20 10 CECDRO Cc1cc(O)c(C[N@H+](C)CC(=O)N2CCCC2)cc1C ZINC000873984776 649735796 /nfs/dbraw/zinc/73/57/96/649735796.db2.gz KZANOXGXCGKJRY-UHFFFAOYSA-N 1 0 276.380 2.063 20 10 CECDRO C[C@H]([NH2+]CC(=O)Nc1ccccn1)c1ccc(N(C)C)cc1 ZINC000878455004 651101747 /nfs/dbraw/zinc/10/17/47/651101747.db2.gz MPMBPACQJMVBLQ-ZDUSSCGKSA-N 1 0 298.390 2.437 20 10 CECDRO Cc1cc(NC(=O)CC[NH2+][C@H](C)c2ccccc2O)no1 ZINC000879648133 651335024 /nfs/dbraw/zinc/33/50/24/651335024.db2.gz ZLWOSFWFUYXMRY-LLVKDONJSA-N 1 0 289.335 2.368 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1ccccc1O ZINC000879649284 651335472 /nfs/dbraw/zinc/33/54/72/651335472.db2.gz PFPFIZLKWUJDDJ-BDAKNGLRSA-N 1 0 290.285 2.110 20 10 CECDRO CCc1cc(=O)[nH]c(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000879650453 651335627 /nfs/dbraw/zinc/33/56/27/651335627.db2.gz AMRKPXSOSSMXSA-JTQLQIEISA-N 1 0 273.336 2.301 20 10 CECDRO CC(C)OC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000879650407 651335846 /nfs/dbraw/zinc/33/58/46/651335846.db2.gz ZUGQQZMMWSGZDG-NSHDSACASA-N 1 0 251.326 2.385 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)COCc1ccco1)c1ccccc1O ZINC000879651564 651335990 /nfs/dbraw/zinc/33/59/90/651335990.db2.gz BFIJXCSMBFESOU-QWHCGFSZSA-N 1 0 291.347 2.214 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)COCc1ccco1)c1ccccc1O ZINC000879651565 651336065 /nfs/dbraw/zinc/33/60/65/651336065.db2.gz BFIJXCSMBFESOU-STQMWFEESA-N 1 0 291.347 2.214 20 10 CECDRO C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@H](C)[NH2+]1 ZINC000212466804 652169997 /nfs/dbraw/zinc/16/99/97/652169997.db2.gz QDWNCWOOKKQAAM-UWVGGRQHSA-N 1 0 299.212 2.337 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H](O)C(F)F ZINC000883133434 652374319 /nfs/dbraw/zinc/37/43/19/652374319.db2.gz YYABHUZOEBZOGM-KOLCDFICSA-N 1 0 281.249 2.165 20 10 CECDRO CCN1CC[C@@H]1C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000883358386 652441820 /nfs/dbraw/zinc/44/18/20/652441820.db2.gz JQLSWTIREAYTIY-GFCCVEGCSA-N 1 0 283.366 2.215 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883366674 652445802 /nfs/dbraw/zinc/44/58/02/652445802.db2.gz YDSXVZILEJAROY-VIFPVBQESA-N 1 0 285.212 2.040 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccccc2O)c1 ZINC000134650436 652868349 /nfs/dbraw/zinc/86/83/49/652868349.db2.gz YCZIAMCSIODEBX-UHFFFAOYSA-N 1 0 259.305 2.396 20 10 CECDRO CC[N@@H+](Cc1ccccc1O)C[C@H](C)C(=O)OC ZINC001208721800 802404473 /nfs/dbraw/zinc/40/44/73/802404473.db2.gz ASPZBBFVZBQPMM-NSHDSACASA-N 1 0 251.326 2.023 20 10 CECDRO Cc1cc(F)cc(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1O ZINC001209887862 802589747 /nfs/dbraw/zinc/58/97/47/802589747.db2.gz YHFNYXPTEQAHBJ-PHIMTYICSA-N 1 0 252.333 2.022 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCCS(C)(=O)=O)c1 ZINC000710303226 809986471 /nfs/dbraw/zinc/98/64/71/809986471.db2.gz OQPODIPXYKWZGW-LBPRGKRZSA-N 1 0 285.409 2.176 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCO[C@H]2CC2(F)F)cc1 ZINC000690732041 803079909 /nfs/dbraw/zinc/07/99/09/803079909.db2.gz NSMHWVRLONBUEF-ZDUSSCGKSA-N 1 0 270.323 2.266 20 10 CECDRO Cc1cc(C[N@H+](C)CCN2CCCC2=O)ccc1N(C)C ZINC000815047477 813336079 /nfs/dbraw/zinc/33/60/79/813336079.db2.gz ITLMHKXAWQXBCI-UHFFFAOYSA-N 1 0 289.423 2.115 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c(O)c1 ZINC000724604304 803193790 /nfs/dbraw/zinc/19/37/90/803193790.db2.gz OBEDGZXCYNKNIH-JXFSHQFZSA-N 1 0 277.364 2.155 20 10 CECDRO CCOC(=O)NC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140954740 803628029 /nfs/dbraw/zinc/62/80/29/803628029.db2.gz XQXMMDXYQORMFP-UHFFFAOYSA-N 1 0 292.379 2.411 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000396517090 803738153 /nfs/dbraw/zinc/73/81/53/803738153.db2.gz DZUHQSALCCDNMM-NSHDSACASA-N 1 0 251.326 2.058 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001141156080 803757896 /nfs/dbraw/zinc/75/78/96/803757896.db2.gz DTYRSXAKUVHVPP-IAQYHMDHSA-N 1 0 263.337 2.099 20 10 CECDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001117947939 814968951 /nfs/dbraw/zinc/96/89/51/814968951.db2.gz FYKISEAAKJSURW-PBHICJAKSA-N 1 0 274.408 2.490 20 10 CECDRO CON1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000692192862 803887614 /nfs/dbraw/zinc/88/76/14/803887614.db2.gz VOTBGUAASKGFKQ-UHFFFAOYSA-N 1 0 270.760 2.161 20 10 CECDRO CN(Cc1ccc(N2CCCC2)cc1)CC(C)(C)[NH3+] ZINC001118380175 815008190 /nfs/dbraw/zinc/00/81/90/815008190.db2.gz RQKIOIVMHZBJRN-UHFFFAOYSA-N 1 0 261.413 2.456 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1OC ZINC001118531611 815023284 /nfs/dbraw/zinc/02/32/84/815023284.db2.gz IFJOBIJGLFTZMJ-NEPJUHHUSA-N 1 0 295.379 2.409 20 10 CECDRO Cc1cc(CN2CC(C)(C[NH3+])C2)c(O)cc1Br ZINC001206745362 804653520 /nfs/dbraw/zinc/65/35/20/804653520.db2.gz VQIYZJAOBTYEGK-UHFFFAOYSA-N 1 0 299.212 2.244 20 10 CECDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000092705718 804710466 /nfs/dbraw/zinc/71/04/66/804710466.db2.gz CFWBJXDAYUDCID-CQSZACIVSA-N 1 0 276.380 2.191 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)C2(CO)CC2)c1O ZINC000696064985 807136041 /nfs/dbraw/zinc/13/60/41/807136041.db2.gz YATJUCLBBWOLFD-LLVKDONJSA-N 1 0 265.353 2.042 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)cc1Cl ZINC001232270182 807240071 /nfs/dbraw/zinc/24/00/71/807240071.db2.gz XDOLMHRQRNPIGY-ONGXEEELSA-N 1 0 285.771 2.399 20 10 CECDRO Oc1ccc(F)c(F)c1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001233334770 807396644 /nfs/dbraw/zinc/39/66/44/807396644.db2.gz SMKZJJWEPIISQF-LLVKDONJSA-N 1 0 282.334 2.341 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC[C@H]1CNC(=O)C1 ZINC001119640109 815143344 /nfs/dbraw/zinc/14/33/44/815143344.db2.gz NFHCIRPMDAAMKC-JHJVBQTASA-N 1 0 288.391 2.365 20 10 CECDRO c1cc(C[NH2+]CCCOC[C@@H]2CCCO2)cc2c1OCC2 ZINC000037362871 815147666 /nfs/dbraw/zinc/14/76/66/815147666.db2.gz SEVKHWHJCPTNQT-INIZCTEOSA-N 1 0 291.391 2.297 20 10 CECDRO CCC[C@H]1CN(Cc2c(C)cc(OC)cc2O)CC[NH2+]1 ZINC001236178948 808007413 /nfs/dbraw/zinc/00/74/13/808007413.db2.gz NWTSFIVGWRJSOK-ZDUSSCGKSA-N 1 0 278.396 2.283 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1O ZINC001237681078 808239990 /nfs/dbraw/zinc/23/99/90/808239990.db2.gz KXEAJNZBFVZAFS-VXGBXAGGSA-N 1 0 273.735 2.259 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCOC[C@@H](C)C2)c(O)c1 ZINC000769455680 808454890 /nfs/dbraw/zinc/45/48/90/808454890.db2.gz ICVUNVIXDZYSHF-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO Nc1ccc(C[NH2+]CCc2ccc3c(c2)OCCO3)cc1 ZINC001120268453 815209245 /nfs/dbraw/zinc/20/92/45/815209245.db2.gz FMJZJXDTUNVWRK-UHFFFAOYSA-N 1 0 284.359 2.372 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1=O)c1ccc(N(C)C)cc1 ZINC001116673901 808862407 /nfs/dbraw/zinc/86/24/07/808862407.db2.gz QICMWGHIJBCKBL-MLGOLLRUSA-N 1 0 287.407 2.167 20 10 CECDRO CCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1=O ZINC001172030878 815273226 /nfs/dbraw/zinc/27/32/26/815273226.db2.gz FJDVGCANSGZWSD-CQSZACIVSA-N 1 0 276.380 2.104 20 10 CECDRO CCN1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)CC1=O ZINC001172033206 815274179 /nfs/dbraw/zinc/27/41/79/815274179.db2.gz XGWIQDFODNMTQQ-ZDUSSCGKSA-N 1 0 276.380 2.110 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1O ZINC000700622904 809333813 /nfs/dbraw/zinc/33/38/13/809333813.db2.gz XYTMMMKUBNJNRS-KGLIPLIRSA-N 1 0 277.364 2.402 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)c1O ZINC000701567178 809442778 /nfs/dbraw/zinc/44/27/78/809442778.db2.gz HNGBHNYMFBPJRZ-DGCLKSJQSA-N 1 0 265.353 2.448 20 10 CECDRO CC[N@H+](Cc1ccccc1O)C1C[C@@H]2COC[C@H](C1)N2C ZINC001172140617 815292806 /nfs/dbraw/zinc/29/28/06/815292806.db2.gz HSIHQWSASAQQTI-MQVJKMGUSA-N 1 0 290.407 2.076 20 10 CECDRO C[C@H](F)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000705789517 809791207 /nfs/dbraw/zinc/79/12/07/809791207.db2.gz QUVJKJLTGGWUCC-ZDUSSCGKSA-N 1 0 266.360 2.361 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](OC)C2)c1O ZINC000706533201 809833559 /nfs/dbraw/zinc/83/35/59/809833559.db2.gz HHRYJQAMEKKCCI-XYPYZODXSA-N 1 0 271.744 2.321 20 10 CECDRO Oc1cccc(Br)c1C[NH2+]CCOCCF ZINC000706813139 809855555 /nfs/dbraw/zinc/85/55/55/809855555.db2.gz SROIOPBAQIAQID-UHFFFAOYSA-N 1 0 292.148 2.230 20 10 CECDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2c(O)cccc2F)C1 ZINC001137840036 809860112 /nfs/dbraw/zinc/86/01/12/809860112.db2.gz PSUMULCUWCMSNH-LBPRGKRZSA-N 1 0 264.344 2.200 20 10 CECDRO C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708440678 809930617 /nfs/dbraw/zinc/93/06/17/809930617.db2.gz DVZMJBPZSPZUCZ-VIFPVBQESA-N 1 0 258.312 2.100 20 10 CECDRO Cc1ccc(CC[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000709666420 809949141 /nfs/dbraw/zinc/94/91/41/809949141.db2.gz LCUPTADDFDPZLH-UHFFFAOYSA-N 1 0 275.304 2.355 20 10 CECDRO CNC(=O)CCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC001118368955 810219192 /nfs/dbraw/zinc/21/91/92/810219192.db2.gz UBGTZPPJVMYXAB-UHFFFAOYSA-N 1 0 291.439 2.489 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCC[C@H](CO)C2)c1O ZINC000387963100 810385787 /nfs/dbraw/zinc/38/57/87/810385787.db2.gz ROCFHGGQSOFJKG-AAEUAGOBSA-N 1 0 265.353 2.042 20 10 CECDRO CCOCC[C@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172410959 815410161 /nfs/dbraw/zinc/41/01/61/815410161.db2.gz MFTZQWUJVXSDDE-NSHDSACASA-N 1 0 253.342 2.045 20 10 CECDRO COC(=O)c1cnc(C2=CCC[N@H+](C)C2)c2ccn(C)c21 ZINC001241565180 811113572 /nfs/dbraw/zinc/11/35/72/811113572.db2.gz GHBFBCVOUOOAMD-UHFFFAOYSA-N 1 0 285.347 2.079 20 10 CECDRO C[N@H+](Cc1ccccc1O)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035534 811345242 /nfs/dbraw/zinc/34/52/42/811345242.db2.gz BXXPYKBOIQOBCX-YPMHNXCESA-N 1 0 264.325 2.269 20 10 CECDRO CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC001169585697 811590658 /nfs/dbraw/zinc/59/06/58/811590658.db2.gz PNXWJGXHLSXWIF-XJKSGUPXSA-N 1 0 289.423 2.414 20 10 CECDRO CN1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691488986 811957609 /nfs/dbraw/zinc/95/76/09/811957609.db2.gz POZQOSZVEWNMOL-UHFFFAOYSA-N 1 0 299.212 2.339 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1O ZINC000691490649 811957727 /nfs/dbraw/zinc/95/77/27/811957727.db2.gz YUGOLPNGYPTWCI-ZFWWWQNUSA-N 1 0 277.364 2.448 20 10 CECDRO C[C@@H]1CC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001170106375 812154779 /nfs/dbraw/zinc/15/47/79/812154779.db2.gz YRBAGQPBZPRTPS-KOLCDFICSA-N 1 0 251.326 2.124 20 10 CECDRO C[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1(F)F ZINC000689251119 812234005 /nfs/dbraw/zinc/23/40/05/812234005.db2.gz KOJZGQWULNSWGO-GFCCVEGCSA-N 1 0 271.263 2.256 20 10 CECDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001172917382 815544820 /nfs/dbraw/zinc/54/48/20/815544820.db2.gz FZVLUVMTZQSHOB-AAEUAGOBSA-N 1 0 251.326 2.145 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@H](O)C[C@@H]2C)c1O ZINC000384957723 813126409 /nfs/dbraw/zinc/12/64/09/813126409.db2.gz RCWKPYKVBCRYOH-QPUJVOFHSA-N 1 0 283.755 2.203 20 10 CECDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000389066128 813247092 /nfs/dbraw/zinc/24/70/92/813247092.db2.gz USHGSASJALYAHH-BBRMVZONSA-N 1 0 260.381 2.411 20 10 CECDRO CCCN1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000389205085 813249471 /nfs/dbraw/zinc/24/94/71/813249471.db2.gz ATUONIACFVAWCX-KBPBESRZSA-N 1 0 260.381 2.453 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2cc[nH]c(=O)c2)cc1 ZINC000392644881 813307541 /nfs/dbraw/zinc/30/75/41/813307541.db2.gz QXAGZCBRYKHAJH-UHFFFAOYSA-N 1 0 257.337 2.143 20 10 CECDRO Cc1ccc(C)n1-c1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC001170780274 813344328 /nfs/dbraw/zinc/34/43/28/813344328.db2.gz LXGDFLSUWVYAQF-PBHICJAKSA-N 1 0 285.391 2.086 20 10 CECDRO Nc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000394555985 813423470 /nfs/dbraw/zinc/42/34/70/813423470.db2.gz FELFAEGQVFYMJV-HNNXBMFYSA-N 1 0 288.395 2.361 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCOC(F)(F)F ZINC000398161454 813659976 /nfs/dbraw/zinc/65/99/76/813659976.db2.gz JKFVKAJEJPPADL-UHFFFAOYSA-N 1 0 253.195 2.157 20 10 CECDRO C[C@@H](CC(F)(F)F)[NH2+]CCc1cc(O)c(O)cc1O ZINC001255636527 813823420 /nfs/dbraw/zinc/82/34/20/813823420.db2.gz PGIAXLQBNNLBMY-ZETCQYMHSA-N 1 0 279.258 2.276 20 10 CECDRO C[C@@]1(F)CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1F ZINC001144504100 814092652 /nfs/dbraw/zinc/09/26/52/814092652.db2.gz 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/nfs/dbraw/zinc/59/27/78/815592778.db2.gz YBYCZMZPLIZBON-JTQLQIEISA-N 1 0 276.361 2.201 20 10 CECDRO CC[C@H]1CC[C@@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001173269527 815646475 /nfs/dbraw/zinc/64/64/75/815646475.db2.gz WQZNVFWCYCJONN-CMPLNLGQSA-N 1 0 263.337 2.449 20 10 CECDRO CC[N@H+](C)C1CCN(Cc2c(O)cccc2F)CC1 ZINC001137841619 815694582 /nfs/dbraw/zinc/69/45/82/815694582.db2.gz MVXPYBLMSWEFIM-UHFFFAOYSA-N 1 0 266.360 2.447 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138123785 815730271 /nfs/dbraw/zinc/73/02/71/815730271.db2.gz LPBWAYAAKMKAPV-ZYHUDNBSSA-N 1 0 281.327 2.305 20 10 CECDRO CN1CCCc2cc(CN3C[C@@H]4CC[N@H+](C)[C@@H]4C3)ccc21 ZINC001138356502 815774622 /nfs/dbraw/zinc/77/46/22/815774622.db2.gz PNBMOJCNKKULGB-FUHWJXTLSA-N 1 0 285.435 2.205 20 10 CECDRO CN1CCCc2cc(CN3CC([NH+]4CCCC4)C3)ccc21 ZINC001138357514 815774648 /nfs/dbraw/zinc/77/46/48/815774648.db2.gz HRBHEQMJQCZEAV-UHFFFAOYSA-N 1 0 285.435 2.349 20 10 CECDRO CNc1ncccc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001138695824 815871101 /nfs/dbraw/zinc/87/11/01/815871101.db2.gz GSBLMRIMZBGYKZ-UHFFFAOYSA-N 1 0 299.374 2.483 20 10 CECDRO COc1ccc(C[N@H+](C)Cc2ccccc2O)nc1OC ZINC001139107583 815962182 /nfs/dbraw/zinc/96/21/82/815962182.db2.gz GVYNWBLFXLYHLW-UHFFFAOYSA-N 1 0 288.347 2.436 20 10 CECDRO COC(=O)CC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC001139673804 816077618 /nfs/dbraw/zinc/07/76/18/816077618.db2.gz KAVKUJFVEBUOQR-UHFFFAOYSA-N 1 0 264.369 2.056 20 10 CECDRO CC[N@H+](Cc1ccnc(NC)n1)Cc1ccccc1O ZINC001140047544 816174201 /nfs/dbraw/zinc/17/42/01/816174201.db2.gz NVERWHXPDCZNHT-UHFFFAOYSA-N 1 0 272.352 2.246 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@]1(C)O ZINC001140058238 816180416 /nfs/dbraw/zinc/18/04/16/816180416.db2.gz WCBSIHKDBQIWST-IINYFYTJSA-N 1 0 253.317 2.124 20 10 CECDRO OC[C@@]1(F)CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC001140058222 816181368 /nfs/dbraw/zinc/18/13/68/816181368.db2.gz VMDQDGJNXBDECA-CQSZACIVSA-N 1 0 271.307 2.218 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@]1(C)O 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ZINC001140621003 816307315 /nfs/dbraw/zinc/30/73/15/816307315.db2.gz LKQQJUMZMLJCDR-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO COCCCCN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140624246 816308667 /nfs/dbraw/zinc/30/86/67/816308667.db2.gz MXIXTLJTFGUENG-UHFFFAOYSA-N 1 0 292.423 2.245 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1O ZINC001140747517 816340505 /nfs/dbraw/zinc/34/05/05/816340505.db2.gz CZZAUUONXVFWNG-SRVKXCTJSA-N 1 0 251.301 2.339 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c(O)c1 ZINC001140948090 816422750 /nfs/dbraw/zinc/42/27/50/816422750.db2.gz SGQCWRMJXSQPSR-HNNXBMFYSA-N 1 0 267.344 2.387 20 10 CECDRO Cc1cnc(N2CC[NH+](Cc3ccc(C)cc3O)CC2)nc1 ZINC001140953590 816424311 /nfs/dbraw/zinc/42/43/11/816424311.db2.gz CLUQPXQHFHFWNQ-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140954090 816424316 /nfs/dbraw/zinc/42/43/16/816424316.db2.gz LFWPWDPIYXOPHU-CQSZACIVSA-N 1 0 276.380 2.191 20 10 CECDRO COc1cc(O)c(C[NH+]2CC3(C2)CCCOC3)c(OC)c1 ZINC001141026328 816449160 /nfs/dbraw/zinc/44/91/60/816449160.db2.gz MFJGANBSAJLYEY-UHFFFAOYSA-N 1 0 293.363 2.022 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCC[C@@](C)(O)C2)c(OC)c1 ZINC001141032217 816453132 /nfs/dbraw/zinc/45/31/32/816453132.db2.gz WGFSDGBPFSHDLS-MRXNPFEDSA-N 1 0 295.379 2.146 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H](CO)CC3)ccc21 ZINC001141140839 816485501 /nfs/dbraw/zinc/48/55/01/816485501.db2.gz PPQIYKYZFQMJFM-AWEZNQCLSA-N 1 0 290.407 2.110 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@H](CCO)C3)ccc21 ZINC001141143519 816485908 /nfs/dbraw/zinc/48/59/08/816485908.db2.gz CBJSXTJRTCAECQ-CQSZACIVSA-N 1 0 290.407 2.110 20 10 CECDRO CN1CCOc2cc(C[N@H+](C)[C@H]3CCCOC3)ccc21 ZINC001141145441 816486835 /nfs/dbraw/zinc/48/68/35/816486835.db2.gz CXCCPWFILWFOIT-AWEZNQCLSA-N 1 0 276.380 2.126 20 10 CECDRO COCC[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141158695 816490844 /nfs/dbraw/zinc/49/08/44/816490844.db2.gz KICGJSSDPYZGHN-CYBMUJFWSA-N 1 0 265.353 2.489 20 10 CECDRO CC[N@H+](Cc1cc(O)ccc1O)C1CCOCC1 ZINC001141158907 816490856 /nfs/dbraw/zinc/49/08/56/816490856.db2.gz QWKLTQXJNYGTGN-UHFFFAOYSA-N 1 0 251.326 2.099 20 10 CECDRO Cc1ccc2c(n1)N(C)CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141160515 816491549 /nfs/dbraw/zinc/49/15/49/816491549.db2.gz YBHBNYFFZDGKLN-UHFFFAOYSA-N 1 0 299.374 2.253 20 10 CECDRO Cc1ncccc1C[N@@H+](C)Cc1cc(O)ccc1O ZINC001141161992 816492312 /nfs/dbraw/zinc/49/23/12/816492312.db2.gz IWVADIYCTABKBQ-UHFFFAOYSA-N 1 0 258.321 2.433 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC001141160420 816492451 /nfs/dbraw/zinc/49/24/51/816492451.db2.gz XWYDTEVERGZOFE-LBPRGKRZSA-N 1 0 255.264 2.329 20 10 CECDRO CCN(CC[NH+](C)C)Cc1cc(F)c(F)cc1O ZINC001142502888 816675284 /nfs/dbraw/zinc/67/52/84/816675284.db2.gz ZLHROCOANSYRQU-UHFFFAOYSA-N 1 0 258.312 2.054 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000123253512 365635526 /nfs/dbraw/zinc/63/55/26/365635526.db2.gz FLSPEXHJZMOSSA-GFCCVEGCSA-N 1 0 263.337 2.086 20 10 CECDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1c(O)cccc1Cl ZINC000125477894 365677173 /nfs/dbraw/zinc/67/71/73/365677173.db2.gz NDDVLVIBHHKFPX-XLFHBGCDSA-N 1 0 275.801 2.292 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000038014257 361981309 /nfs/dbraw/zinc/98/13/09/361981309.db2.gz ZAKCBQDWCCDLGR-GFCCVEGCSA-N 1 0 276.380 2.016 20 10 CECDRO COc1cccc(C[NH2+]CC2(CCO)CCCC2)c1O ZINC000072925708 343815606 /nfs/dbraw/zinc/81/56/06/343815606.db2.gz PCYLJVCXZGHTPK-UHFFFAOYSA-N 1 0 279.380 2.433 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCc2ccncc2)cc1 ZINC000048261188 362251788 /nfs/dbraw/zinc/25/17/88/362251788.db2.gz KQGKWODWCWCKIP-UHFFFAOYSA-N 1 0 255.365 2.480 20 10 CECDRO COc1ccc(N2CCC[N@H+](Cc3ccno3)CC2)cc1 ZINC000077234922 343913187 /nfs/dbraw/zinc/91/31/87/343913187.db2.gz OLXMUQSJJCBDOC-UHFFFAOYSA-N 1 0 287.363 2.396 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@@H](C)O)c1O ZINC000051822183 362441091 /nfs/dbraw/zinc/44/10/91/362441091.db2.gz AXJYQAFYFWRKFQ-MRVPVSSYSA-N 1 0 271.744 2.061 20 10 CECDRO Cc1cccc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1O ZINC000362044176 344809294 /nfs/dbraw/zinc/80/92/94/344809294.db2.gz HGJHLSUCRQCOLY-AWEZNQCLSA-N 1 0 285.391 2.499 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3OCCC[C@@H]3C1)OCO2 ZINC000129050712 365821144 /nfs/dbraw/zinc/82/11/44/365821144.db2.gz UIPHSDPSGPAAGP-RISCZKNCSA-N 1 0 291.347 2.122 20 10 CECDRO COC[C@@H](C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000075643588 363480202 /nfs/dbraw/zinc/48/02/02/363480202.db2.gz OVSHETRLXUDSEI-CQSZACIVSA-N 1 0 278.396 2.242 20 10 CECDRO OC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000154597425 366780288 /nfs/dbraw/zinc/78/02/88/366780288.db2.gz ADIQKCAZCFJNSG-JTQLQIEISA-N 1 0 255.745 2.250 20 10 CECDRO CCN(CC)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000019919479 361567279 /nfs/dbraw/zinc/56/72/79/361567279.db2.gz TZECVXSRSGFAKP-LBPRGKRZSA-N 1 0 266.385 2.393 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC000093506641 364193559 /nfs/dbraw/zinc/19/35/59/364193559.db2.gz KORRKFBCILBXLX-OCCSQVGLSA-N 1 0 277.364 2.402 20 10 CECDRO CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000113924298 364918007 /nfs/dbraw/zinc/91/80/07/364918007.db2.gz FIKMXSUPCWRFES-CYBMUJFWSA-N 1 0 293.363 2.368 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000159951138 366960714 /nfs/dbraw/zinc/96/07/14/366960714.db2.gz AEBVMJATUNGZEW-LBPRGKRZSA-N 1 0 265.353 2.448 20 10 CECDRO Oc1c(F)cccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000160235743 366986205 /nfs/dbraw/zinc/98/62/05/366986205.db2.gz DVCAGIYYYGPJCU-CYBMUJFWSA-N 1 0 264.344 2.201 20 10 CECDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccccc1O ZINC000179879253 368357291 /nfs/dbraw/zinc/35/72/91/368357291.db2.gz ALOIPBIJJSJGKK-LBPRGKRZSA-N 1 0 262.353 2.055 20 10 CECDRO CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1=O ZINC000179895985 368357345 /nfs/dbraw/zinc/35/73/45/368357345.db2.gz SEODMLLVZASLGJ-DGCLKSJQSA-N 1 0 262.353 2.052 20 10 CECDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180215670 368373385 /nfs/dbraw/zinc/37/33/85/368373385.db2.gz XSYTYCWGCYJQKC-GFCCVEGCSA-N 1 0 283.343 2.016 20 10 CECDRO COCC1=CC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000187616620 369188910 /nfs/dbraw/zinc/18/89/10/369188910.db2.gz NFLKMNKZFBFRQE-UHFFFAOYSA-N 1 0 251.301 2.310 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)C(F)(F)F)c1 ZINC000230659195 370462138 /nfs/dbraw/zinc/46/21/38/370462138.db2.gz QRJSPHPXBIVDQR-KCJUWKMLSA-N 1 0 263.259 2.274 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CCCc1nccs1)OCO2 ZINC000265519931 372021657 /nfs/dbraw/zinc/02/16/57/372021657.db2.gz HPQCDMVUUJKGFQ-UHFFFAOYSA-N 1 0 292.360 2.300 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCN(C(=O)C(C)C)CC2)c1 ZINC000271056421 373093744 /nfs/dbraw/zinc/09/37/44/373093744.db2.gz ZXTLFVPFQJITSA-UHFFFAOYSA-N 1 0 276.380 2.001 20 10 CECDRO CCCOc1ccc(C[N@H+](CCO)C(C)C)c(O)c1 ZINC000271018858 373070531 /nfs/dbraw/zinc/07/05/31/373070531.db2.gz APJONFVKSSBGRY-UHFFFAOYSA-N 1 0 267.369 2.384 20 10 CECDRO CCC1(O)CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000271187884 373168923 /nfs/dbraw/zinc/16/89/23/373168923.db2.gz KFZSWBDZNVWMEZ-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCOC[C@@H](C)C2)c1 ZINC000366774298 373122677 /nfs/dbraw/zinc/12/26/77/373122677.db2.gz QMBPUTAQYWHSLM-RYUDHWBXSA-N 1 0 265.353 2.430 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1O ZINC000367691114 373182354 /nfs/dbraw/zinc/18/23/54/373182354.db2.gz WFITXSIAKLXBRD-XYYAHUGASA-N 1 0 267.756 2.336 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)C2)c1O ZINC000271714469 373198167 /nfs/dbraw/zinc/19/81/67/373198167.db2.gz HUAGDXPADYLRPR-SNVBAGLBSA-N 1 0 255.745 2.168 20 10 CECDRO CCC1(O)CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000271869820 373202581 /nfs/dbraw/zinc/20/25/81/373202581.db2.gz RUXWSQNUZRBBBN-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC000272241887 373380034 /nfs/dbraw/zinc/38/00/34/373380034.db2.gz GRYJXGYEQCVLDP-CYBMUJFWSA-N 1 0 275.348 2.167 20 10 CECDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000272399902 373465143 /nfs/dbraw/zinc/46/51/43/373465143.db2.gz ZHRDKJATZQHAGU-KRWDZBQOSA-N 1 0 289.423 2.421 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)C(F)(F)F ZINC000272520636 373530873 /nfs/dbraw/zinc/53/08/73/373530873.db2.gz YFPDBPGHVAHJJS-GXSJLCMTSA-N 1 0 281.249 2.323 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)[C@@]12CCCO2 ZINC000272650472 373600400 /nfs/dbraw/zinc/60/04/00/373600400.db2.gz FKXSDGITPSEBCV-OAGGEKHMSA-N 1 0 277.364 2.208 20 10 CECDRO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccccc2O)[nH]1 ZINC000272863001 373685743 /nfs/dbraw/zinc/68/57/43/373685743.db2.gz NGUIDJMYMNKTCU-UWVGGRQHSA-N 1 0 260.341 2.485 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c(O)c1C ZINC000273541970 373762950 /nfs/dbraw/zinc/76/29/50/373762950.db2.gz YIPTZGTWRIKXCB-STQMWFEESA-N 1 0 288.391 2.423 20 10 CECDRO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000273599707 373766500 /nfs/dbraw/zinc/76/65/00/373766500.db2.gz RRKKIAYNCBUYTI-DGCLKSJQSA-N 1 0 298.814 2.417 20 10 CECDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000274411856 373913248 /nfs/dbraw/zinc/91/32/48/373913248.db2.gz DQSBODXHLROBIX-CQSZACIVSA-N 1 0 292.379 2.324 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CO)CCOC)c1ccc(N(C)C)cc1 ZINC000281614515 375389822 /nfs/dbraw/zinc/38/98/22/375389822.db2.gz NHVGZGCTHAPXMN-GDBMZVCRSA-N 1 0 280.412 2.191 20 10 CECDRO COc1c(O)c(C[N@@H+]2CCC=C(C)C2)ccc1[N+](=O)[O-] ZINC000281685164 375391863 /nfs/dbraw/zinc/39/18/63/375391863.db2.gz BAQHYHMSQOVWHE-UHFFFAOYSA-N 1 0 278.308 2.461 20 10 CECDRO CN(CCC[NH+]1CCCC1)Cc1cc(F)ccc1O ZINC000281218925 375364215 /nfs/dbraw/zinc/36/42/15/375364215.db2.gz KGWKKVIBGBDYMB-UHFFFAOYSA-N 1 0 266.360 2.449 20 10 CECDRO C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(F)c1[O-] ZINC000281324081 375370839 /nfs/dbraw/zinc/37/08/39/375370839.db2.gz RKJLGXFYCYQBCR-UHFFFAOYSA-N 1 0 266.360 2.449 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)cc1 ZINC000282650424 375539794 /nfs/dbraw/zinc/53/97/94/375539794.db2.gz HZUGZOCBGPNEHY-STQMWFEESA-N 1 0 295.402 2.268 20 10 CECDRO C[C@H]([NH2+]CCC1(O)CCC1)c1cc(F)ccc1O ZINC000284382068 375826997 /nfs/dbraw/zinc/82/69/97/375826997.db2.gz OMQFDTWSVYMMOM-JTQLQIEISA-N 1 0 253.317 2.487 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCC(C)(C)C(=O)OC)c1 ZINC000285370300 375837998 /nfs/dbraw/zinc/83/79/98/375837998.db2.gz CBKJTLUBOFMFNZ-UHFFFAOYSA-N 1 0 295.379 2.470 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)CO)cc1F ZINC000289176399 376389437 /nfs/dbraw/zinc/38/94/37/376389437.db2.gz ABEWAOFJCWLBOV-GFCCVEGCSA-N 1 0 268.376 2.485 20 10 CECDRO CNC(=O)CCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293720358 377719182 /nfs/dbraw/zinc/71/91/82/377719182.db2.gz MLIQPFNMQRRBGC-GFCCVEGCSA-N 1 0 264.369 2.186 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000294114384 377909496 /nfs/dbraw/zinc/90/94/96/377909496.db2.gz SUSMCAPXALMXKS-CYBMUJFWSA-N 1 0 265.353 2.138 20 10 CECDRO Cc1nccnc1CC[NH2+][C@H](C)c1ccccc1O ZINC000295071808 378038474 /nfs/dbraw/zinc/03/84/74/378038474.db2.gz SCXTYYRKFJCDRG-LLVKDONJSA-N 1 0 257.337 2.384 20 10 CECDRO Cc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](O)C2)c1O ZINC000294808299 378021577 /nfs/dbraw/zinc/02/15/77/378021577.db2.gz JCGRAQKNBQDOBY-PHIMTYICSA-N 1 0 286.169 2.076 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c(O)c1 ZINC000294838148 378022630 /nfs/dbraw/zinc/02/26/30/378022630.db2.gz RPPYVHGYCOUOIA-CZUORRHYSA-N 1 0 293.407 2.447 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCNc1ccccn1)CC2 ZINC000297682910 378688171 /nfs/dbraw/zinc/68/81/71/378688171.db2.gz LPJQWQCMVDWMCI-ZDUSSCGKSA-N 1 0 269.348 2.476 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cc(Cl)ccc1O ZINC000527951504 379854346 /nfs/dbraw/zinc/85/43/46/379854346.db2.gz BSVLTYWCFHDANH-CUOATXAZSA-N 1 0 285.771 2.236 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1COCCN1)c1cc(Cl)ccc1O ZINC000530223913 380197251 /nfs/dbraw/zinc/19/72/51/380197251.db2.gz IXPUBWKDZYKBMV-AAEUAGOBSA-N 1 0 284.787 2.075 20 10 CECDRO O=C1NCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000050394747 284881414 /nfs/dbraw/zinc/88/14/14/284881414.db2.gz CUHILOQUFBUNAC-INIZCTEOSA-N 1 0 287.407 2.045 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@]2(O)CCSC2)c1 ZINC000185638499 262063578 /nfs/dbraw/zinc/06/35/78/262063578.db2.gz WDXJKCBEJXTYDL-BXUZGUMPSA-N 1 0 267.394 2.219 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](CCO)CCOC)cc1F ZINC000093005768 394665109 /nfs/dbraw/zinc/66/51/09/394665109.db2.gz PITODXFYTVKYTH-UHFFFAOYSA-N 1 0 298.402 2.113 20 10 CECDRO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000104853222 394721079 /nfs/dbraw/zinc/72/10/79/394721079.db2.gz IPBBBWZWOJVYLB-AWEZNQCLSA-N 1 0 276.380 2.225 20 10 CECDRO COCCn1cc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cn1 ZINC000281912935 394873944 /nfs/dbraw/zinc/87/39/44/394873944.db2.gz ABSWQYYRIXGYPX-NSHDSACASA-N 1 0 293.342 2.225 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(N(C)C)c(F)c1 ZINC000130647967 394893112 /nfs/dbraw/zinc/89/31/12/394893112.db2.gz BNKZZPBZNSBCKB-UHFFFAOYSA-N 1 0 295.402 2.192 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1O ZINC000132770020 394936785 /nfs/dbraw/zinc/93/67/85/394936785.db2.gz YHKJPXVBHSRNLB-STQMWFEESA-N 1 0 263.337 2.154 20 10 CECDRO CO[C@H](C)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000182333866 395239133 /nfs/dbraw/zinc/23/91/33/395239133.db2.gz IYWJLRSLMXSZHH-HIFRSBDPSA-N 1 0 279.380 2.408 20 10 CECDRO COCCOC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179573969 395196706 /nfs/dbraw/zinc/19/67/06/395196706.db2.gz BCMNUVPCWAIHKB-UHFFFAOYSA-N 1 0 265.353 2.020 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CC)c1ccccc1O ZINC000188487586 395316039 /nfs/dbraw/zinc/31/60/39/395316039.db2.gz JPRWAYBNVUQSBQ-DGCLKSJQSA-N 1 0 264.369 2.300 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000188468735 395316423 /nfs/dbraw/zinc/31/64/23/395316423.db2.gz XYASKUSVXUBQMF-AWEZNQCLSA-N 1 0 291.439 2.489 20 10 CECDRO CN(C)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000296533423 395321294 /nfs/dbraw/zinc/32/12/94/395321294.db2.gz RVCKNGOIYDAQPP-ZDUSSCGKSA-N 1 0 260.381 2.453 20 10 CECDRO CN(Cc1ccccc1O)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194749231 395447683 /nfs/dbraw/zinc/44/76/83/395447683.db2.gz YEVCBDVHJULYAI-UHFFFAOYSA-N 1 0 288.391 2.225 20 10 CECDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000193439805 395408339 /nfs/dbraw/zinc/40/83/39/395408339.db2.gz NFULROIQMQAFPB-CJNGLKHVSA-N 1 0 262.397 2.488 20 10 CECDRO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)c(O)c1O ZINC000181784491 400289970 /nfs/dbraw/zinc/28/99/70/400289970.db2.gz PBUKVIYZSXICPY-UHFFFAOYSA-N 1 0 292.379 2.012 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](CO)SC)cc1C ZINC000219070419 419463045 /nfs/dbraw/zinc/46/30/45/419463045.db2.gz MJDOZKVMJSMPLJ-SMDDNHRTSA-N 1 0 269.410 2.206 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1O ZINC000128219576 260373191 /nfs/dbraw/zinc/37/31/91/260373191.db2.gz PLNOHVBZBSVPQD-VXGBXAGGSA-N 1 0 285.771 2.303 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)CO)cc1 ZINC000151726567 261054756 /nfs/dbraw/zinc/05/47/56/261054756.db2.gz ODLNYJAEZWABNF-CHWSQXEVSA-N 1 0 250.386 2.422 20 10 CECDRO CC[N@@H+]1CCCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000155370266 261101326 /nfs/dbraw/zinc/10/13/26/261101326.db2.gz DDCLKQBPNIUBEM-UHFFFAOYSA-N 1 0 261.413 2.280 20 10 CECDRO CCCNC(=O)C[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000158329272 261163566 /nfs/dbraw/zinc/16/35/66/261163566.db2.gz FGVJEZUQCZJKQS-OAHLLOKOSA-N 1 0 277.412 2.320 20 10 CECDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000160382733 261212649 /nfs/dbraw/zinc/21/26/49/261212649.db2.gz RUUITOTZUWMONO-IUODEOHRSA-N 1 0 299.422 2.318 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000184888651 262032476 /nfs/dbraw/zinc/03/24/76/262032476.db2.gz OIYWPVJQBYNDKS-ZDUSSCGKSA-N 1 0 276.380 2.364 20 10 CECDRO CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2O)C1 ZINC000186110138 262080004 /nfs/dbraw/zinc/08/00/04/262080004.db2.gz AIWLSAUPPXWWLJ-STQMWFEESA-N 1 0 291.395 2.155 20 10 CECDRO C[C@H]([NH2+]CC1(C)OCCO1)c1cc(Cl)ccc1O ZINC000186211550 262084768 /nfs/dbraw/zinc/08/47/68/262084768.db2.gz ADLFEIGXJJWJCP-VIFPVBQESA-N 1 0 271.744 2.459 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186223907 262312375 /nfs/dbraw/zinc/31/23/75/262312375.db2.gz SNCDZJGLPFMPCF-LLVKDONJSA-N 1 0 264.369 2.123 20 10 CECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)O)c1O ZINC000186902179 262328456 /nfs/dbraw/zinc/32/84/56/262328456.db2.gz BNXUBZPGRKLIAA-DTWKUNHWSA-N 1 0 288.185 2.495 20 10 CECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCO)c1O ZINC000186939274 262331054 /nfs/dbraw/zinc/33/10/54/262331054.db2.gz GCFIKCKHFABFBD-MRVPVSSYSA-N 1 0 274.158 2.106 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000311738965 262340214 /nfs/dbraw/zinc/34/02/14/262340214.db2.gz AZEBJCQABNAVEP-OAHLLOKOSA-N 1 0 263.337 2.156 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1O ZINC000219886707 262350929 /nfs/dbraw/zinc/35/09/29/262350929.db2.gz SMISRQXKBQMJBK-ZYHUDNBSSA-N 1 0 251.326 2.058 20 10 CECDRO CCOc1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1O ZINC000289756006 263111768 /nfs/dbraw/zinc/11/17/68/263111768.db2.gz QVZOPEMRAMPYDG-CHWSQXEVSA-N 1 0 265.353 2.136 20 10 CECDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(F)ccc1O ZINC000293951519 264990329 /nfs/dbraw/zinc/99/03/29/264990329.db2.gz IUQOZPNDBNFQRZ-YGRLFVJLSA-N 1 0 253.317 2.172 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCOCC[C@@H]2C)cc1OC ZINC000367684348 267108709 /nfs/dbraw/zinc/10/87/09/267108709.db2.gz MZNSGAUFCOVCNJ-NSHDSACASA-N 1 0 281.352 2.020 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@H](F)C[C@@H]1CO ZINC000368041617 267140950 /nfs/dbraw/zinc/14/09/50/267140950.db2.gz UQHMMJKPLBSSGX-NQBHXWOUSA-N 1 0 253.317 2.248 20 10 CECDRO CN1CCc2cc(C[NH2+][C@H]3CCc4nc[nH]c4C3)ccc21 ZINC000368091846 267145381 /nfs/dbraw/zinc/14/53/81/267145381.db2.gz YAHFCXOXIMADIW-AWEZNQCLSA-N 1 0 282.391 2.049 20 10 CECDRO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000368593792 267189673 /nfs/dbraw/zinc/18/96/73/267189673.db2.gz PUNCLWQTLGJHJL-OAHLLOKOSA-N 1 0 290.407 2.134 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3CC3)C1)OCO2 ZINC000371259746 267379018 /nfs/dbraw/zinc/37/90/18/267379018.db2.gz VBFYPFFOGBAOSH-NSHDSACASA-N 1 0 261.321 2.353 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3CC3)C1)OCO2 ZINC000371259745 267379491 /nfs/dbraw/zinc/37/94/91/267379491.db2.gz VBFYPFFOGBAOSH-LLVKDONJSA-N 1 0 261.321 2.353 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1 ZINC000371331693 267391573 /nfs/dbraw/zinc/39/15/73/267391573.db2.gz JYXOWFUVWKOBSJ-GFCCVEGCSA-N 1 0 272.352 2.198 20 10 CECDRO COc1ccc(O)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000134121453 274114841 /nfs/dbraw/zinc/11/48/41/274114841.db2.gz OLTLCDOUODBJIU-HNNXBMFYSA-N 1 0 290.407 2.461 20 10 CECDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296401113 275455694 /nfs/dbraw/zinc/45/56/94/275455694.db2.gz KIDZLIZYCMALMO-UKRRQHHQSA-N 1 0 288.391 2.228 20 10 CECDRO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cccc(C)c1O ZINC000189040194 276052822 /nfs/dbraw/zinc/05/28/22/276052822.db2.gz PPBJFDANGPOQBT-MRXNPFEDSA-N 1 0 276.380 2.191 20 10 CECDRO CC(C)[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000283855490 280346082 /nfs/dbraw/zinc/34/60/82/280346082.db2.gz HRHDFIYDGBFTBM-NVXWUHKLSA-N 1 0 293.407 2.390 20 10 CECDRO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])C[NH+](C)C ZINC000293387639 298778906 /nfs/dbraw/zinc/77/89/06/298778906.db2.gz ISPHMYNNJISUTK-MNOVXSKESA-N 1 0 254.349 2.380 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1 ZINC000281236565 301654184 /nfs/dbraw/zinc/65/41/84/301654184.db2.gz VAVZKDVZAIVZLM-GFCCVEGCSA-N 1 0 297.420 2.319 20 10 CECDRO COc1cc(Cl)cc(CN[C@@H]2CC[NH2+]C23CCC3)c1O ZINC000530179298 313280697 /nfs/dbraw/zinc/28/06/97/313280697.db2.gz SKKWZARDAMZDEE-CYBMUJFWSA-N 1 0 296.798 2.428 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c(O)c1 ZINC000367436857 327828391 /nfs/dbraw/zinc/82/83/91/327828391.db2.gz HMKREBBJDLCNFP-KHIZAZIESA-N 1 0 288.391 2.408 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)cc1C ZINC000377305708 329010628 /nfs/dbraw/zinc/01/06/28/329010628.db2.gz MPOZBEMUNUWVFF-DJJJIMSYSA-N 1 0 281.421 2.352 20 10 CECDRO Cn1ncc(Br)c1C[NH2+]Cc1ccccc1O ZINC000278538952 327175023 /nfs/dbraw/zinc/17/50/23/327175023.db2.gz SWNHXWIFKOXPIE-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCN(C)C(=O)C1 ZINC000377713998 329026657 /nfs/dbraw/zinc/02/66/57/329026657.db2.gz CWXMMYOCWXHIBK-CYBMUJFWSA-N 1 0 262.353 2.007 20 10 CECDRO COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccccc1O ZINC000360020602 329070072 /nfs/dbraw/zinc/07/00/72/329070072.db2.gz VBBUSTCZADCLRS-CYBMUJFWSA-N 1 0 263.337 2.310 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1OC ZINC000188567993 329369816 /nfs/dbraw/zinc/36/98/16/329369816.db2.gz DGIKIDRBKCJNIE-YRGRVCCFSA-N 1 0 293.363 2.067 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1OC ZINC000188568042 329369964 /nfs/dbraw/zinc/36/99/64/329369964.db2.gz DGIKIDRBKCJNIE-BZPMIXESSA-N 1 0 293.363 2.067 20 10 CECDRO CCn1nncc1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000527918870 330295466 /nfs/dbraw/zinc/29/54/66/330295466.db2.gz FJWAXRJOBBWWJW-SKDRFNHKSA-N 1 0 290.342 2.481 20 10 CECDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000293165403 330834564 /nfs/dbraw/zinc/83/45/64/330834564.db2.gz VWXRMZPUCKVILD-XJKSGUPXSA-N 1 0 262.397 2.393 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@](C)(OC)C2)c1 ZINC000230299787 333316115 /nfs/dbraw/zinc/31/61/15/333316115.db2.gz NFJBADFMTVTPCC-HNNXBMFYSA-N 1 0 265.353 2.402 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000529667922 333504856 /nfs/dbraw/zinc/50/48/56/333504856.db2.gz BNZVELHFXPTMAE-OZWUEAAUSA-N 1 0 265.353 2.302 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](N3CCCC3)C2)c1 ZINC000133943018 334074013 /nfs/dbraw/zinc/07/40/13/334074013.db2.gz XEKIGIOASHTNML-HNNXBMFYSA-N 1 0 260.381 2.371 20 10 CECDRO C[C@](O)(C[NH2+]Cc1ccccc1O)c1ccccc1 ZINC000134650550 334099265 /nfs/dbraw/zinc/09/92/65/334099265.db2.gz BQELPOWFSPLSDT-INIZCTEOSA-N 1 0 257.333 2.390 20 10 CECDRO C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000134926033 334108633 /nfs/dbraw/zinc/10/86/33/334108633.db2.gz RTNXFNJTAWYOGD-YUMQZZPRSA-N 1 0 274.158 2.186 20 10 CECDRO Cc1cccc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)c1O ZINC000135760993 334138193 /nfs/dbraw/zinc/13/81/93/334138193.db2.gz SHOXBCLMJNJNEX-LLVKDONJSA-N 1 0 264.369 2.093 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000188484088 520213765 /nfs/dbraw/zinc/21/37/65/520213765.db2.gz GGOYIHRRKPOPEL-RYUDHWBXSA-N 1 0 264.369 2.218 20 10 CECDRO CCCOc1ccc(C[NH2+]CCC[C@H](C)O)c(O)c1 ZINC000278685461 520366100 /nfs/dbraw/zinc/36/61/00/520366100.db2.gz PLLWESNHQBZVGM-LBPRGKRZSA-N 1 0 267.369 2.432 20 10 CECDRO CCCC[N@H+](CCCO)Cc1cc2c(cc1O)OCO2 ZINC000289466242 520506390 /nfs/dbraw/zinc/50/63/90/520506390.db2.gz OYQRKFZTZLUEAC-UHFFFAOYSA-N 1 0 281.352 2.105 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)C[NH2+]C)cc1F ZINC000236906551 520901010 /nfs/dbraw/zinc/90/10/10/520901010.db2.gz WUTODLZUGPAECM-LBPRGKRZSA-N 1 0 295.402 2.144 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1 ZINC000293001621 521152341 /nfs/dbraw/zinc/15/23/41/521152341.db2.gz NBNXEQPXOYDBPE-BLLLJJGKSA-N 1 0 279.380 2.432 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2cnccc2OC)c1O ZINC000292774975 521367238 /nfs/dbraw/zinc/36/72/38/521367238.db2.gz SZLGMQOQXUEWLF-UHFFFAOYSA-N 1 0 288.347 2.484 20 10 CECDRO CCOC1CC(O)(C[NH2+][C@H](CC)c2ccccc2O)C1 ZINC000278472662 521652479 /nfs/dbraw/zinc/65/24/79/521652479.db2.gz NYMCXCCLLQSHOV-CXOJTPOUSA-N 1 0 279.380 2.363 20 10 CECDRO CC[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(C)cc1O ZINC000280274379 522673092 /nfs/dbraw/zinc/67/30/92/522673092.db2.gz YBQXWSZLMSXMTD-ZDUSSCGKSA-N 1 0 286.379 2.479 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccccc1O ZINC000084063235 522946141 /nfs/dbraw/zinc/94/61/41/522946141.db2.gz CKFZPAOQMBPRSH-WCQYABFASA-N 1 0 262.353 2.054 20 10 CECDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(N)cc1 ZINC000237032162 523025733 /nfs/dbraw/zinc/02/57/33/523025733.db2.gz XJHRJGCOQVBULO-INIZCTEOSA-N 1 0 289.423 2.192 20 10 CECDRO CC[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228677165 523472631 /nfs/dbraw/zinc/47/26/31/523472631.db2.gz XOWTYMKPWOQTJC-CYBMUJFWSA-N 1 0 273.760 2.305 20 10 CECDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000087013369 523674839 /nfs/dbraw/zinc/67/48/39/523674839.db2.gz VHUVSCCVBZKAMQ-QMTHXVAHSA-N 1 0 253.342 2.212 20 10 CECDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000292901021 523951898 /nfs/dbraw/zinc/95/18/98/523951898.db2.gz DRPYNHRSDVSKEC-OAHLLOKOSA-N 1 0 266.360 2.406 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000083551982 523968164 /nfs/dbraw/zinc/96/81/64/523968164.db2.gz DKPHZZXMCVVOBC-JTQLQIEISA-N 1 0 284.787 2.440 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](CO)C2CCCC2)c1 ZINC000290808212 524753263 /nfs/dbraw/zinc/75/32/63/524753263.db2.gz FWSQKRUKFDTUHZ-AWEZNQCLSA-N 1 0 265.353 2.042 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cn2ccnc2)c1 ZINC000037157739 524767347 /nfs/dbraw/zinc/76/73/47/524767347.db2.gz IKGIKPQDVNQYCH-VXGBXAGGSA-N 1 0 275.352 2.337 20 10 CECDRO COc1ccncc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000292619699 524857627 /nfs/dbraw/zinc/85/76/27/524857627.db2.gz IRJMREQLFCIZMC-UHFFFAOYSA-N 1 0 271.364 2.446 20 10 CECDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccccc1O ZINC000278666492 524924788 /nfs/dbraw/zinc/92/47/88/524924788.db2.gz MZWQTSNCRQSSEE-CQSZACIVSA-N 1 0 290.407 2.077 20 10 CECDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000191757972 525135442 /nfs/dbraw/zinc/13/54/42/525135442.db2.gz CQFOHCNFTBNOBH-RISCZKNCSA-N 1 0 266.360 2.406 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000279709357 525341509 /nfs/dbraw/zinc/34/15/09/525341509.db2.gz SHXYKRFMWVMQMO-CZUORRHYSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000126133426 525342054 /nfs/dbraw/zinc/34/20/54/525342054.db2.gz SYNWRYNFPIAQPU-UHFFFAOYSA-N 1 0 263.337 2.040 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000084059530 525550662 /nfs/dbraw/zinc/55/06/62/525550662.db2.gz GGUBACNWANLSQP-GXTWGEPZSA-N 1 0 275.396 2.024 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)C(C)C)c(O)c1C ZINC000290012612 525918930 /nfs/dbraw/zinc/91/89/30/525918930.db2.gz BTRXOYIFARWUDG-ZDUSSCGKSA-N 1 0 299.436 2.483 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c(O)c1 ZINC000287128178 525922715 /nfs/dbraw/zinc/92/27/15/525922715.db2.gz RNOVYVBSQJIANP-STQMWFEESA-N 1 0 297.420 2.176 20 10 CECDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3O)C2)c1 ZINC000290374992 526267044 /nfs/dbraw/zinc/26/70/44/526267044.db2.gz ATDKUZCUZFPXAI-CQSZACIVSA-N 1 0 257.337 2.344 20 10 CECDRO Cc1cnn([C@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)c1 ZINC000290822778 526268975 /nfs/dbraw/zinc/26/89/75/526268975.db2.gz GYWJSNGDVHIWPC-AWEZNQCLSA-N 1 0 275.327 2.483 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000237949445 526374314 /nfs/dbraw/zinc/37/43/14/526374314.db2.gz IPLDJDYDYLLQOY-HNNXBMFYSA-N 1 0 257.333 2.085 20 10 CECDRO c1csc(CC[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000060229699 526579400 /nfs/dbraw/zinc/57/94/00/526579400.db2.gz IGTRKKVZODDYKZ-UHFFFAOYSA-N 1 0 260.362 2.410 20 10 CECDRO NC(=O)C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000293207816 526907900 /nfs/dbraw/zinc/90/79/00/526907900.db2.gz YCZZNTRUDBZEIT-INIZCTEOSA-N 1 0 296.370 2.328 20 10 CECDRO OC[C@H](C[NH2+]Cc1ccccc1O)Cc1ccc(F)cc1 ZINC000263727051 527607130 /nfs/dbraw/zinc/60/71/30/527607130.db2.gz XMXCBTHVAAWTDX-AWEZNQCLSA-N 1 0 289.350 2.472 20 10 CECDRO OC[C@H]1[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]12 ZINC000367838353 527624928 /nfs/dbraw/zinc/62/49/28/527624928.db2.gz CVSRNLMQAIWGHQ-PIIMJCKOSA-N 1 0 286.419 2.347 20 10 CECDRO CCN(CC(=O)OC)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000728709466 574468744 /nfs/dbraw/zinc/46/87/44/574468744.db2.gz VEFAMGSVRQCMDQ-UHFFFAOYSA-N 1 0 295.379 2.390 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000754080997 574522733 /nfs/dbraw/zinc/52/27/33/574522733.db2.gz VTUOJQNOWYUHPV-NSHDSACASA-N 1 0 265.353 2.448 20 10 CECDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733326755 574664535 /nfs/dbraw/zinc/66/45/35/574664535.db2.gz YAGJWWVLJDEFJL-HNNXBMFYSA-N 1 0 268.376 2.388 20 10 CECDRO CN(C)c1ccc(C[NH2+]C2CCC(C(N)=O)CC2)cc1F ZINC000733331932 574665067 /nfs/dbraw/zinc/66/50/67/574665067.db2.gz NTYNOGDNIRANLM-UHFFFAOYSA-N 1 0 293.386 2.025 20 10 CECDRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000738440625 574863502 /nfs/dbraw/zinc/86/35/02/574863502.db2.gz WIDGGXFAZGALBO-NXEZZACHSA-N 1 0 282.771 2.179 20 10 CECDRO C[C@H]1C[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247410 623321772 /nfs/dbraw/zinc/32/17/72/623321772.db2.gz HBCSCXWJNPQPPY-RCBQFDQVSA-N 1 0 289.423 2.128 20 10 CECDRO CCOC(=O)N1CCC([NH2+]CCc2ccc(N)cc2)CC1 ZINC000071428879 623392554 /nfs/dbraw/zinc/39/25/54/623392554.db2.gz ASJYCJBHAJPWTE-UHFFFAOYSA-N 1 0 291.395 2.022 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1 ZINC000742375639 623423509 /nfs/dbraw/zinc/42/35/09/623423509.db2.gz SYJDIBKYHXZXSP-OCCSQVGLSA-N 1 0 278.396 2.363 20 10 CECDRO C[C@H](NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000891981516 624226443 /nfs/dbraw/zinc/22/64/43/624226443.db2.gz LNIDZYWCTMKIFJ-AVGNSLFASA-N 1 0 291.395 2.141 20 10 CECDRO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)Cc1ccccc1O ZINC000176673367 624532487 /nfs/dbraw/zinc/53/24/87/624532487.db2.gz JTHDASFCMNZKMF-ZDUSSCGKSA-N 1 0 284.359 2.441 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)[C@H]1OC ZINC000290301180 625274878 /nfs/dbraw/zinc/27/48/78/625274878.db2.gz HWTZHRWBDJEIMG-SQWYCQTGSA-N 1 0 295.379 2.244 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H]2C)c(O)c1OC ZINC000892569719 627278617 /nfs/dbraw/zinc/27/86/17/627278617.db2.gz BBUJYDQRQPRKIO-GXSJLCMTSA-N 1 0 251.326 2.155 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)C2CC2)c1O ZINC000311881509 627712948 /nfs/dbraw/zinc/71/29/48/627712948.db2.gz YKRUWQYSSZJRDA-CQSZACIVSA-N 1 0 285.771 2.305 20 10 CECDRO CCC1([NH3+])CCN(C(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000892935325 627861538 /nfs/dbraw/zinc/86/15/38/627861538.db2.gz QOINGSJRZSOZRK-LBPRGKRZSA-N 1 0 291.395 2.366 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCOC(C)(C)C)c1 ZINC000308760756 627947037 /nfs/dbraw/zinc/94/70/37/627947037.db2.gz XWGFYEMJKYNHPP-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO Cc1cc(C[NH2+]CCCSc2nccs2)nn1C ZINC000840899421 628169512 /nfs/dbraw/zinc/16/95/12/628169512.db2.gz MMMVRJXUGLMTQE-UHFFFAOYSA-N 1 0 282.438 2.457 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c(Cl)c1 ZINC000840901628 628247702 /nfs/dbraw/zinc/24/77/02/628247702.db2.gz GWYZATYCCNBQNQ-SNVBAGLBSA-N 1 0 294.782 2.207 20 10 CECDRO COC1(C[NH2+]Cc2c(O)cccc2Cl)CCOCC1 ZINC000123148827 628359746 /nfs/dbraw/zinc/35/97/46/628359746.db2.gz DIUCVRGAUBTODD-UHFFFAOYSA-N 1 0 285.771 2.331 20 10 CECDRO CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001026627296 628459059 /nfs/dbraw/zinc/45/90/59/628459059.db2.gz PVRYULUYTLCACB-OAHLLOKOSA-N 1 0 290.407 2.352 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)cc1 ZINC000092659882 628498013 /nfs/dbraw/zinc/49/80/13/628498013.db2.gz GVENZOCDWRQCRX-AWEZNQCLSA-N 1 0 289.423 2.230 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H](CO)C(C)C)CC2)cc1 ZINC000162760623 628520390 /nfs/dbraw/zinc/52/03/90/628520390.db2.gz BHWCCHZLBMIOSO-QGZVFWFLSA-N 1 0 292.423 2.271 20 10 CECDRO Cc1cc(C(=O)NC[C@H](C)[NH3+])c(C)n1-c1ccccc1C ZINC000194926247 628520453 /nfs/dbraw/zinc/52/04/53/628520453.db2.gz ZHTFJDIXOPUENF-LBPRGKRZSA-N 1 0 285.391 2.480 20 10 CECDRO CC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)OC ZINC000313519916 628610553 /nfs/dbraw/zinc/61/05/53/628610553.db2.gz LNYQQOKZYXVWKV-MRXNPFEDSA-N 1 0 278.396 2.038 20 10 CECDRO C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccc(N(C)C)cc1 ZINC000902448065 634671584 /nfs/dbraw/zinc/67/15/84/634671584.db2.gz XNAGISPLYRTMEW-IUODEOHRSA-N 1 0 261.413 2.401 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])CC(F)F ZINC000313912815 628664128 /nfs/dbraw/zinc/66/41/28/628664128.db2.gz IYIAHGSPKRBGCH-CYBMUJFWSA-N 1 0 299.365 2.084 20 10 CECDRO COCC[NH2+]Cc1cc(Br)cc(C)c1O ZINC000162823147 628726234 /nfs/dbraw/zinc/72/62/34/628726234.db2.gz UDYGQOPVHIBBBM-UHFFFAOYSA-N 1 0 274.158 2.199 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c(Cl)c1 ZINC000840938868 628757511 /nfs/dbraw/zinc/75/75/11/628757511.db2.gz IQSIDJAVXMMKCB-IINYFYTJSA-N 1 0 267.756 2.168 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)[C@H]1C ZINC000840942212 628790514 /nfs/dbraw/zinc/79/05/14/628790514.db2.gz VPAOFGRSNZJORA-BBRMVZONSA-N 1 0 290.407 2.444 20 10 CECDRO CCOC1CC([NH2+]Cc2ccc(OC)cc2O)C1 ZINC000218987821 628804990 /nfs/dbraw/zinc/80/49/90/628804990.db2.gz FAYPAXHVRRKSNX-UHFFFAOYSA-N 1 0 251.326 2.058 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000840964408 628925050 /nfs/dbraw/zinc/92/50/50/628925050.db2.gz RYHODUVXCVJQNV-TUAOUCFPSA-N 1 0 265.353 2.304 20 10 CECDRO C[C@H]([NH2+][C@H]1CNOC1)c1ccc(N2CCCCC2)cc1 ZINC000925870480 628969883 /nfs/dbraw/zinc/96/98/83/628969883.db2.gz UJXWELIXLLABSV-ZFWWWQNUSA-N 1 0 275.396 2.231 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCOC2)c1O ZINC000894199071 629202924 /nfs/dbraw/zinc/20/29/24/629202924.db2.gz FUNPQHOTJAZZPA-GFCCVEGCSA-N 1 0 265.353 2.225 20 10 CECDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894250052 629256661 /nfs/dbraw/zinc/25/66/61/629256661.db2.gz CZKBWGALAGSRLS-WCQYABFASA-N 1 0 267.369 2.206 20 10 CECDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894250053 629256778 /nfs/dbraw/zinc/25/67/78/629256778.db2.gz CZKBWGALAGSRLS-YPMHNXCESA-N 1 0 267.369 2.206 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c1O ZINC000894283437 629303267 /nfs/dbraw/zinc/30/32/67/629303267.db2.gz FFMKMJXHLOQVBT-CYBMUJFWSA-N 1 0 287.363 2.079 20 10 CECDRO CC[C@@H](COC)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894287354 629307337 /nfs/dbraw/zinc/30/73/37/629307337.db2.gz DUIAFXIAHLYIEB-LBPRGKRZSA-N 1 0 253.342 2.224 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)CC(N)=O)c1ccc(C)cc1O ZINC000794810580 629326229 /nfs/dbraw/zinc/32/62/29/629326229.db2.gz LWONYQYUTMRRJN-ZYHUDNBSSA-N 1 0 250.342 2.005 20 10 CECDRO CCn1ncnc1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000794840307 629332985 /nfs/dbraw/zinc/33/29/85/629332985.db2.gz IGJVUSMTZQPBFW-LLVKDONJSA-N 1 0 260.341 2.163 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCN2CCC[C@H]2C)c1O ZINC000894393254 629425978 /nfs/dbraw/zinc/42/59/78/629425978.db2.gz JYSOVJSGVKGKHB-CYBMUJFWSA-N 1 0 278.396 2.283 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)COC(C)=O)c1 ZINC000894502808 629499067 /nfs/dbraw/zinc/49/90/67/629499067.db2.gz UJLPJWJAZIJHLN-VHSXEESVSA-N 1 0 267.325 2.003 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H](C)OC)c1O ZINC000894534391 629518210 /nfs/dbraw/zinc/51/82/10/629518210.db2.gz ZSVRAGJLHUOGCA-WDEREUQCSA-N 1 0 253.342 2.222 20 10 CECDRO COCC1([NH2+]Cc2cc(C)cc(OC)c2O)CCC1 ZINC000894693886 629593519 /nfs/dbraw/zinc/59/35/19/629593519.db2.gz AMAMTJIDVPEWFF-UHFFFAOYSA-N 1 0 265.353 2.368 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H]2OC)c1O ZINC000894901307 629741913 /nfs/dbraw/zinc/74/19/13/629741913.db2.gz AQKBDJYFQQAEPR-CHWSQXEVSA-N 1 0 265.353 2.366 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@H](O)C(C)C ZINC000894915431 629752419 /nfs/dbraw/zinc/75/24/19/629752419.db2.gz LKXKZMYCOXASJQ-GXTWGEPZSA-N 1 0 297.395 2.295 20 10 CECDRO CC[N@@H+]1CCN(Cc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000796316769 629842611 /nfs/dbraw/zinc/84/26/11/629842611.db2.gz PETLCGFDHLCRHT-AWEZNQCLSA-N 1 0 261.413 2.279 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2COC(C)(C)C2)c1O ZINC000895225870 630045211 /nfs/dbraw/zinc/04/52/11/630045211.db2.gz KTRKYJKQNUIGMQ-LBPRGKRZSA-N 1 0 265.353 2.366 20 10 CECDRO C[C@H]([NH2+]CCC1(O)CCOCC1)c1cc(F)ccc1O ZINC000797033666 630109984 /nfs/dbraw/zinc/10/99/84/630109984.db2.gz YIZVUJNCNHXYSK-NSHDSACASA-N 1 0 283.343 2.114 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)c(O)c1OC ZINC000895376082 630147313 /nfs/dbraw/zinc/14/73/13/630147313.db2.gz CUHBIZYIOWENJJ-DGCLKSJQSA-N 1 0 295.379 2.457 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000895581709 630264425 /nfs/dbraw/zinc/26/44/25/630264425.db2.gz QSZOMVILGXHURK-ZIAGYGMSSA-N 1 0 295.354 2.424 20 10 CECDRO COc1ccc(O)c(C[NH2+]C2CCC3(COC3)CC2)c1 ZINC000895694762 630304296 /nfs/dbraw/zinc/30/42/96/630304296.db2.gz JWGZEPYOGNAGSP-UHFFFAOYSA-N 1 0 277.364 2.450 20 10 CECDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895697005 630309760 /nfs/dbraw/zinc/30/97/60/630309760.db2.gz QNCVBJCSIPRKFU-LBPRGKRZSA-N 1 0 283.368 2.050 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)C[C@@H]2CCCO2)cc1Cl ZINC000895750191 630329170 /nfs/dbraw/zinc/32/91/70/630329170.db2.gz XXDXXFZQFZSNLU-OLZOCXBDSA-N 1 0 299.798 2.374 20 10 CECDRO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000895835397 630371605 /nfs/dbraw/zinc/37/16/05/630371605.db2.gz CFGVAVHXYJEGNI-LBPRGKRZSA-N 1 0 293.260 2.278 20 10 CECDRO Cc1ccc(C[N@@H+]2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)c(O)c1 ZINC000895923592 630404907 /nfs/dbraw/zinc/40/49/07/630404907.db2.gz WZKKJAPNBFMTAW-YNEHKIRRSA-N 1 0 276.380 2.140 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)c(O)c1 ZINC000896126498 630474888 /nfs/dbraw/zinc/47/48/88/630474888.db2.gz ZUUZVIYCXQORDP-WCQYABFASA-N 1 0 293.363 2.222 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000896556673 630597471 /nfs/dbraw/zinc/59/74/71/630597471.db2.gz ZGXDXQUQPLFMTL-CJNGLKHVSA-N 1 0 261.413 2.243 20 10 CECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000896962002 630844868 /nfs/dbraw/zinc/84/48/68/630844868.db2.gz HJORTIPBFCCUDL-ZDUSSCGKSA-N 1 0 293.363 2.176 20 10 CECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000896962948 630846215 /nfs/dbraw/zinc/84/62/15/630846215.db2.gz UHBKIDBVLHRNCD-LBPRGKRZSA-N 1 0 293.363 2.176 20 10 CECDRO Cc1cc(O)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000824948764 635530467 /nfs/dbraw/zinc/53/04/67/635530467.db2.gz GZDDCABDAKFLHE-RYUDHWBXSA-N 1 0 266.772 2.005 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)COC(C)C)c(O)c1 ZINC000800524120 631133214 /nfs/dbraw/zinc/13/32/14/631133214.db2.gz APFKSVHVWVNSBC-NSHDSACASA-N 1 0 253.342 2.304 20 10 CECDRO Cc1ccc(O)c(CNc2nc(N(C)C)cc(C)[nH+]2)c1 ZINC000800723916 631142027 /nfs/dbraw/zinc/14/20/27/631142027.db2.gz WBGOMDFLMMYYGF-UHFFFAOYSA-N 1 0 272.352 2.477 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](CO)C2)cc1Cl ZINC000897355292 631169893 /nfs/dbraw/zinc/16/98/93/631169893.db2.gz LXILXOFRHGGYFI-HOMQSWHASA-N 1 0 255.745 2.215 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)C(OC)OC)cc1C ZINC000079607898 631200888 /nfs/dbraw/zinc/20/08/88/631200888.db2.gz BRORNELXUTVQRJ-LLVKDONJSA-N 1 0 253.342 2.101 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@@H]2O)c1O ZINC000228674114 631213792 /nfs/dbraw/zinc/21/37/92/631213792.db2.gz PGSBXIFBABFXDX-NEPJUHHUSA-N 1 0 285.771 2.447 20 10 CECDRO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000801734835 631313098 /nfs/dbraw/zinc/31/30/98/631313098.db2.gz KSQYYTAOKLIAFB-GFCCVEGCSA-N 1 0 282.771 2.192 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(C)=O)C2)cc1C ZINC000987645257 631437818 /nfs/dbraw/zinc/43/78/18/631437818.db2.gz OIKKODDYMLCVAJ-DOMZBBRYSA-N 1 0 276.380 2.103 20 10 CECDRO COCCO[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000802653031 631440901 /nfs/dbraw/zinc/44/09/01/631440901.db2.gz NMNXCYGFKCNHCT-HNNXBMFYSA-N 1 0 279.380 2.328 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CC[C@H](C3CC3)O1)OCO2 ZINC000897511712 631602772 /nfs/dbraw/zinc/60/27/72/631602772.db2.gz OVTQIHRRTFUUDP-TZMCWYRMSA-N 1 0 291.347 2.168 20 10 CECDRO CC(C)C[C@H]([NH3+])CN1CCOc2cc(N(C)C)ccc21 ZINC000841011929 631735741 /nfs/dbraw/zinc/73/57/41/631735741.db2.gz SOQIJTODQJXLCL-ZDUSSCGKSA-N 1 0 277.412 2.325 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000897558428 631780183 /nfs/dbraw/zinc/78/01/83/631780183.db2.gz HYYVTOKJFDAUQY-OAHLLOKOSA-N 1 0 287.363 2.008 20 10 CECDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000840091772 631835289 /nfs/dbraw/zinc/83/52/89/631835289.db2.gz OIGRJSATHFIKLV-AWEZNQCLSA-N 1 0 285.391 2.466 20 10 CECDRO COCC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808717598 632005370 /nfs/dbraw/zinc/00/53/70/632005370.db2.gz FVRMRDNFTKJKKK-CMPLNLGQSA-N 1 0 287.787 2.402 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1O ZINC000808715819 632005623 /nfs/dbraw/zinc/00/56/23/632005623.db2.gz XNQXPRRAQAQMLA-XHDPSFHLSA-N 1 0 298.814 2.071 20 10 CECDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000840177783 632092406 /nfs/dbraw/zinc/09/24/06/632092406.db2.gz LQKSDRUEFNEZOM-CQSZACIVSA-N 1 0 298.386 2.456 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898197639 632111452 /nfs/dbraw/zinc/11/14/52/632111452.db2.gz ICTZYVUPJLBKNH-MRXNPFEDSA-N 1 0 262.397 2.312 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@H](CO)COC(C)C)cc1C ZINC000809768335 632143014 /nfs/dbraw/zinc/14/30/14/632143014.db2.gz IFTPHYDDRXCFQP-OAHLLOKOSA-N 1 0 281.396 2.227 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H](C)CN(C)C(C)C)cc1OC ZINC000811512556 632393563 /nfs/dbraw/zinc/39/35/63/632393563.db2.gz OWIZCBSHQWVWHO-LBPRGKRZSA-N 1 0 296.411 2.228 20 10 CECDRO Cc1cc(C[N@@H+]2CCCC[C@@H]2CO)ccc1N(C)C ZINC000815017723 632950158 /nfs/dbraw/zinc/95/01/58/632950158.db2.gz UGKMLNBQBOGGJQ-OAHLLOKOSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)ccc1N(C)C ZINC000815096661 632958010 /nfs/dbraw/zinc/95/80/10/632958010.db2.gz UIZKBPIGNZDNQQ-CJNGLKHVSA-N 1 0 262.397 2.264 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CC)[C@H](C)CO)cc1 ZINC000815121166 632962977 /nfs/dbraw/zinc/96/29/77/632962977.db2.gz RPDOZHUMBAMMIE-CYBMUJFWSA-N 1 0 250.386 2.345 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2nnnn2C2CC2)c(O)c1 ZINC000815595513 633036085 /nfs/dbraw/zinc/03/60/85/633036085.db2.gz TVVHXOCZGKFOHL-NSHDSACASA-N 1 0 287.367 2.181 20 10 CECDRO CC(=O)NCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816532168 633408476 /nfs/dbraw/zinc/40/84/76/633408476.db2.gz UFRREKWYZKSCTI-UHFFFAOYSA-N 1 0 272.348 2.161 20 10 CECDRO CCn1ncnc1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816596936 633419860 /nfs/dbraw/zinc/41/98/60/633419860.db2.gz XRLQAFISEJSGBS-UHFFFAOYSA-N 1 0 282.347 2.447 20 10 CECDRO OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000816665363 633459985 /nfs/dbraw/zinc/45/99/85/633459985.db2.gz DLGFCBURLPWHTA-LLVKDONJSA-N 1 0 253.317 2.126 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC2(CC(N)=O)CC2)cc1 ZINC000817411021 633651108 /nfs/dbraw/zinc/65/11/08/633651108.db2.gz LFRDFSXSHUYFDX-UHFFFAOYSA-N 1 0 289.423 2.278 20 10 CECDRO CCOc1ccc(O)c(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1 ZINC000817412922 633652299 /nfs/dbraw/zinc/65/22/99/633652299.db2.gz QZCRPWYOCPIYDS-QWHCGFSZSA-N 1 0 279.380 2.241 20 10 CECDRO CC(=O)N[C@@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000817414311 633652823 /nfs/dbraw/zinc/65/28/23/633652823.db2.gz FIGXJLWSZXEWPN-LLVKDONJSA-N 1 0 282.771 2.064 20 10 CECDRO CC(=O)N[C@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000817414315 633653363 /nfs/dbraw/zinc/65/33/63/633653363.db2.gz FIGXJLWSZXEWPN-NSHDSACASA-N 1 0 282.771 2.064 20 10 CECDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000817415708 633655201 /nfs/dbraw/zinc/65/52/01/633655201.db2.gz XBYWZJIOELJOEF-HNNXBMFYSA-N 1 0 284.359 2.256 20 10 CECDRO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)[C@@H]1CCCOC1 ZINC000817942898 633791438 /nfs/dbraw/zinc/79/14/38/633791438.db2.gz RHUPOXDBRBVTNB-LXZKKBNFSA-N 1 0 291.439 2.157 20 10 CECDRO C[C@H](N[C@H]1CC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817945223 633792062 /nfs/dbraw/zinc/79/20/62/633792062.db2.gz XMXIMGCVTGDOJT-FZMZJTMJSA-N 1 0 260.381 2.284 20 10 CECDRO CC[C@H](NC1C[NH2+]C1)c1cc(Br)ccc1O ZINC000817956183 633794613 /nfs/dbraw/zinc/79/46/13/633794613.db2.gz SSDCPZQZZHAIOO-NSHDSACASA-N 1 0 285.185 2.167 20 10 CECDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1nccn1C ZINC000817957457 633799745 /nfs/dbraw/zinc/79/97/45/633799745.db2.gz MGOWFDYEDOEIGJ-CQSZACIVSA-N 1 0 258.369 2.286 20 10 CECDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccn(C)n1 ZINC000817956817 633799990 /nfs/dbraw/zinc/79/99/90/633799990.db2.gz DKIFLTVBNSENBQ-CQSZACIVSA-N 1 0 258.369 2.286 20 10 CECDRO C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817964535 633806525 /nfs/dbraw/zinc/80/65/25/633806525.db2.gz BZXGQFBYDDZJLN-MADCSZMMSA-N 1 0 256.296 2.058 20 10 CECDRO C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817971295 633812950 /nfs/dbraw/zinc/81/29/50/633812950.db2.gz CATFFRHOYNMZMH-BQBZGAKWSA-N 1 0 291.164 2.292 20 10 CECDRO C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817973452 633817017 /nfs/dbraw/zinc/81/70/17/633817017.db2.gz UCMPBEUIHOOPHI-BQBZGAKWSA-N 1 0 291.164 2.292 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)c1 ZINC000817976272 633818422 /nfs/dbraw/zinc/81/84/22/633818422.db2.gz JHTMFHPUOUJOAG-WOPDTQHZSA-N 1 0 252.333 2.051 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)c(O)c1C ZINC000817976341 633818921 /nfs/dbraw/zinc/81/89/21/633818921.db2.gz KEHHSEADPURNJG-AGIUHOORSA-N 1 0 266.360 2.360 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)c2c1c(F)ccc2O ZINC000817977068 633819966 /nfs/dbraw/zinc/81/99/66/633819966.db2.gz ZXVCZBRIISPTSD-WDCWCFNPSA-N 1 0 282.334 2.369 20 10 CECDRO O=C(NCc1ccccc1O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901125510 633955454 /nfs/dbraw/zinc/95/54/54/633955454.db2.gz YESIKYUBAGGYHU-UONOGXRCSA-N 1 0 274.364 2.025 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000818608177 633958665 /nfs/dbraw/zinc/95/86/65/633958665.db2.gz QIBGHBLIPDKBRH-KGLIPLIRSA-N 1 0 291.439 2.473 20 10 CECDRO C[C@@H]([NH2+]C1CC(CCO)C1)c1cc(F)ccc1O ZINC000903328544 635077326 /nfs/dbraw/zinc/07/73/26/635077326.db2.gz CFJQIQFPLPXIFC-GRZMOONWSA-N 1 0 253.317 2.343 20 10 CECDRO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cc(F)ccc1O ZINC000903406156 635101545 /nfs/dbraw/zinc/10/15/45/635101545.db2.gz GZZFINDKWOMNGD-NOZJJQNGSA-N 1 0 253.317 2.343 20 10 CECDRO COc1ccc(N(C)C[C@@H]2CC[C@H]([NH3+])C2)cc1OC ZINC000903433244 635116103 /nfs/dbraw/zinc/11/61/03/635116103.db2.gz WSKSPOUITVAMCR-NEPJUHHUSA-N 1 0 264.369 2.267 20 10 CECDRO COc1ccc(N(C)C[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000903439769 635119026 /nfs/dbraw/zinc/11/90/26/635119026.db2.gz OGFWOIVFHFHMGW-MNOVXSKESA-N 1 0 252.333 2.126 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)CC2 ZINC000903441167 635121040 /nfs/dbraw/zinc/12/10/40/635121040.db2.gz YJMAWVJKXLDFIG-MCIONIFRSA-N 1 0 259.349 2.394 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960151 635369150 /nfs/dbraw/zinc/36/91/50/635369150.db2.gz YBSAZTRCQFASBA-INIZCTEOSA-N 1 0 278.371 2.497 20 10 CECDRO CN(C)c1ccc(CNC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955486 635389673 /nfs/dbraw/zinc/38/96/73/635389673.db2.gz STIANXNHTKXPCP-CYBMUJFWSA-N 1 0 283.366 2.087 20 10 CECDRO COCC[NH+](CCOC)Cc1cc(Cl)c(C)cc1O ZINC000824484576 635435375 /nfs/dbraw/zinc/43/53/75/635435375.db2.gz MODJZPPBGXVAMM-UHFFFAOYSA-N 1 0 287.787 2.449 20 10 CECDRO CCC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])OC ZINC000824543201 635447677 /nfs/dbraw/zinc/44/76/77/635447677.db2.gz GOXSCXMMVZYPOB-LLVKDONJSA-N 1 0 298.339 2.214 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(OC)n2)c1 ZINC000824548918 635448983 /nfs/dbraw/zinc/44/89/83/635448983.db2.gz QGXUGEHKLWWHLA-SNVBAGLBSA-N 1 0 289.335 2.050 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H](C)CCCCO ZINC000824655683 635470677 /nfs/dbraw/zinc/47/06/77/635470677.db2.gz YTUXBNXDVGDEPH-NSHDSACASA-N 1 0 253.342 2.042 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C2(CF)CCOCC2)c1 ZINC000824690353 635477742 /nfs/dbraw/zinc/47/77/42/635477742.db2.gz AWRZCKUWGUHYGZ-UHFFFAOYSA-N 1 0 253.317 2.309 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1OC)c1ccccc1O ZINC000824710225 635483568 /nfs/dbraw/zinc/48/35/68/635483568.db2.gz VZSZYXYHEUFOTF-DUVNUKRYSA-N 1 0 279.380 2.484 20 10 CECDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000824710284 635483579 /nfs/dbraw/zinc/48/35/79/635483579.db2.gz WXVCAPYTMPSERC-CJNGLKHVSA-N 1 0 279.380 2.150 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000824845560 635510822 /nfs/dbraw/zinc/51/08/22/635510822.db2.gz MEFKMEALFXPVGP-DOTOQJQBSA-N 1 0 291.391 2.288 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000825062507 635555853 /nfs/dbraw/zinc/55/58/53/635555853.db2.gz YTPVLARYHWMHGZ-WCQYABFASA-N 1 0 265.353 2.042 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](O)C(F)(F)F)cc1Cl ZINC000825130886 635576047 /nfs/dbraw/zinc/57/60/47/635576047.db2.gz HNNDTXGYMDRNQK-JTQLQIEISA-N 1 0 283.677 2.367 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000825197352 635590403 /nfs/dbraw/zinc/59/04/03/635590403.db2.gz VTYFCTVOSCDHAB-CHWSQXEVSA-N 1 0 285.771 2.248 20 10 CECDRO C[C@H]1CC[C@H](NCc2ccc3c(c2)CCCO3)C[NH2+]1 ZINC000904380800 635604357 /nfs/dbraw/zinc/60/43/57/635604357.db2.gz GXMYUTSFBHPXIS-WFASDCNBSA-N 1 0 260.381 2.242 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1Cl ZINC000825298166 635607883 /nfs/dbraw/zinc/60/78/83/635607883.db2.gz VQDKMHSGNGHFGU-LLVKDONJSA-N 1 0 282.771 2.064 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c1O ZINC000904411532 635619239 /nfs/dbraw/zinc/61/92/39/635619239.db2.gz LZDJPEGEHMCJTQ-OLZOCXBDSA-N 1 0 278.396 2.208 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c1O ZINC000904411639 635619591 /nfs/dbraw/zinc/61/95/91/635619591.db2.gz ONWKCBXXRSDYTD-QWRGUYRKSA-N 1 0 298.814 2.471 20 10 CECDRO COc1ccc(O)c(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000825338960 635620491 /nfs/dbraw/zinc/62/04/91/635620491.db2.gz XDBGBZBQMPSQIP-AWEZNQCLSA-N 1 0 278.396 2.315 20 10 CECDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825384891 635628798 /nfs/dbraw/zinc/62/87/98/635628798.db2.gz LIBKUUGZPQZSGF-AAEUAGOBSA-N 1 0 296.798 2.358 20 10 CECDRO COc1cccc(C[NH2+]Cc2nccn2C(C)C)c1O ZINC000825916276 635731100 /nfs/dbraw/zinc/73/11/00/635731100.db2.gz MGJPMAXZHVAJHD-UHFFFAOYSA-N 1 0 275.352 2.468 20 10 CECDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1C)[C@H]1CCOC1 ZINC000826822502 635854798 /nfs/dbraw/zinc/85/47/98/635854798.db2.gz VULVNOMLZXLJBB-RDJZCZTQSA-N 1 0 292.423 2.202 20 10 CECDRO COCC1([NH2+]Cc2cc(OC)ccc2O)CCCC1 ZINC000826834249 635856233 /nfs/dbraw/zinc/85/62/33/635856233.db2.gz OLZKNFXJHWDUSA-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)c1O ZINC000826889523 635873453 /nfs/dbraw/zinc/87/34/53/635873453.db2.gz WBSOIQGMPWFMJJ-MFKMUULPSA-N 1 0 272.352 2.342 20 10 CECDRO CO[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000826952049 636170251 /nfs/dbraw/zinc/17/02/51/636170251.db2.gz FNNRKXFUQRKJNP-HNNXBMFYSA-N 1 0 299.798 2.327 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cc1F ZINC000827279941 636278382 /nfs/dbraw/zinc/27/83/82/636278382.db2.gz CAHGDDRLCWWXEV-XJKSGUPXSA-N 1 0 278.371 2.360 20 10 CECDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827662397 636380822 /nfs/dbraw/zinc/38/08/22/636380822.db2.gz QISXTXJJFXGONV-UKRRQHHQSA-N 1 0 274.408 2.393 20 10 CECDRO CCOc1cccc(C[N@H+](C)C2(CO)CCC2)c1O ZINC000827903812 636456879 /nfs/dbraw/zinc/45/68/79/636456879.db2.gz PTJLRXMGBCYGBH-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO COC(=O)NC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000827928901 636461158 /nfs/dbraw/zinc/46/11/58/636461158.db2.gz AZBSSTKSAOQJLU-UHFFFAOYSA-N 1 0 278.352 2.021 20 10 CECDRO C[C@@H]([NH2+]Cc1cn(C2CC2)nn1)c1ccccc1O ZINC000906323003 636702472 /nfs/dbraw/zinc/70/24/72/636702472.db2.gz NLURNTUSALWPTE-SNVBAGLBSA-N 1 0 258.325 2.169 20 10 CECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@@H](C)S(C)(=O)=O ZINC000829516038 636873317 /nfs/dbraw/zinc/87/33/17/636873317.db2.gz NWQXABANFLXEIE-CYBMUJFWSA-N 1 0 299.436 2.427 20 10 CECDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000832274380 637531258 /nfs/dbraw/zinc/53/12/58/637531258.db2.gz ZHCIQDASRBHPLL-JTQLQIEISA-N 1 0 298.358 2.087 20 10 CECDRO CCC(CC)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293366 637535711 /nfs/dbraw/zinc/53/57/11/637535711.db2.gz VNNIMLBSGYZOOQ-OAHLLOKOSA-N 1 0 277.412 2.305 20 10 CECDRO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876580114 650344629 /nfs/dbraw/zinc/34/46/29/650344629.db2.gz GBADWPSKJFVLDK-CYBMUJFWSA-N 1 0 292.379 2.411 20 10 CECDRO C[C@@H]1CCN(CC[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834611533 637890282 /nfs/dbraw/zinc/89/02/82/637890282.db2.gz MJHJMRIJJLRFKQ-TZMCWYRMSA-N 1 0 260.381 2.311 20 10 CECDRO CCn1cccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1=O ZINC000834786899 637951803 /nfs/dbraw/zinc/95/18/03/637951803.db2.gz DMTMQPKOTMNYHQ-CQSZACIVSA-N 1 0 284.359 2.351 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](C)CC(=O)NC)cc1 ZINC000834898759 637981382 /nfs/dbraw/zinc/98/13/82/637981382.db2.gz GNFAGTNTIRQGMT-CHWSQXEVSA-N 1 0 277.412 2.318 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CCCC[C@@H]2C(N)=O)cc1 ZINC000835025336 638028910 /nfs/dbraw/zinc/02/89/10/638028910.db2.gz IFEPDFICNVNFII-OGZRUICASA-N 1 0 287.407 2.106 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H](CO)C2CC2)cc1 ZINC000835039334 638034446 /nfs/dbraw/zinc/03/44/46/638034446.db2.gz DIKSSRWORDNBSI-MJSXRHKHSA-N 1 0 260.381 2.126 20 10 CECDRO C[C@H](CCO)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042204 638035324 /nfs/dbraw/zinc/03/53/24/638035324.db2.gz HECYUMBQMZKKEY-ISZGNANSSA-N 1 0 262.397 2.374 20 10 CECDRO C[C@@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)N(C)C ZINC000835042819 638035369 /nfs/dbraw/zinc/03/53/69/638035369.db2.gz MJCSWIYGSXDECO-AFNCTOJWSA-N 1 0 261.413 2.306 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C2(CO)CCC2)cc1 ZINC000835042571 638035454 /nfs/dbraw/zinc/03/54/54/638035454.db2.gz JFLVASMAEJZXLL-HYXAFXHYSA-N 1 0 260.381 2.270 20 10 CECDRO CO[C@@]1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCOC1 ZINC000835047645 638038223 /nfs/dbraw/zinc/03/82/23/638038223.db2.gz STHSDGXBXUDTRU-LAQIPUCWSA-N 1 0 290.407 2.161 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1 ZINC000835053106 638040617 /nfs/dbraw/zinc/04/06/17/638040617.db2.gz BCQIUEOFUJYESF-CWDCEQMOSA-N 1 0 296.361 2.468 20 10 CECDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1O ZINC000835069559 638047698 /nfs/dbraw/zinc/04/76/98/638047698.db2.gz BOIYKKOSKQFPGQ-LBPRGKRZSA-N 1 0 285.347 2.212 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCC2(C)CC2)cc1 ZINC000911667714 638343664 /nfs/dbraw/zinc/34/36/64/638343664.db2.gz QYCKHFARLKBUBR-HNNXBMFYSA-N 1 0 289.423 2.449 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]([NH3+])CCC(C)C ZINC000876767476 650425731 /nfs/dbraw/zinc/42/57/31/650425731.db2.gz KGRYSJVJHZBWMR-MRXNPFEDSA-N 1 0 291.439 2.441 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)CCS(C)(=O)=O)c1ccccc1O ZINC000156382877 639347467 /nfs/dbraw/zinc/34/74/67/639347467.db2.gz RAMRENSWCTXHIL-DGCLKSJQSA-N 1 0 285.409 2.256 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)C[C@H]2CCCO2)c1O ZINC000164355355 639364687 /nfs/dbraw/zinc/36/46/87/639364687.db2.gz JXVWGNWRGGWTCX-CYBMUJFWSA-N 1 0 265.353 2.320 20 10 CECDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000045172955 639396733 /nfs/dbraw/zinc/39/67/33/639396733.db2.gz AFDMZQOOPQESHM-UHFFFAOYSA-N 1 0 291.372 2.086 20 10 CECDRO COc1ccc(N2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000057848000 639467168 /nfs/dbraw/zinc/46/71/68/639467168.db2.gz WNVUUYVYBXCQEW-UHFFFAOYSA-N 1 0 297.402 2.455 20 10 CECDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000226250002 639532447 /nfs/dbraw/zinc/53/24/47/639532447.db2.gz IARBDPZPZLVQOK-QGZVFWFLSA-N 1 0 292.423 2.164 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C)C2)c(Cl)c1 ZINC000840891759 639574238 /nfs/dbraw/zinc/57/42/38/639574238.db2.gz CWIVWXQQEYNRDM-SNVBAGLBSA-N 1 0 254.761 2.148 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)c1 ZINC000168846743 639587164 /nfs/dbraw/zinc/58/71/64/639587164.db2.gz ZADBHFSSTHBSBZ-RMDKCXRXSA-N 1 0 285.409 2.209 20 10 CECDRO Cc1cc(O)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000840921215 639587080 /nfs/dbraw/zinc/58/70/80/639587080.db2.gz WETPAANLQGEIET-PHIMTYICSA-N 1 0 266.772 2.005 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCSCCCO ZINC000840932544 639590059 /nfs/dbraw/zinc/59/00/59/639590059.db2.gz RWENCRSXAIYYFA-UHFFFAOYSA-N 1 0 282.453 2.266 20 10 CECDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936543 639591370 /nfs/dbraw/zinc/59/13/70/639591370.db2.gz KODKQBBXWNAGGB-UHFFFAOYSA-N 1 0 278.396 2.492 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000840939076 639592989 /nfs/dbraw/zinc/59/29/89/639592989.db2.gz KFBUKRQVGVKLLK-WBMJQRKESA-N 1 0 289.423 2.147 20 10 CECDRO CC[C@@H]([NH2+]Cc1c(O)cccc1OC)[C@H](O)C(C)C ZINC000840966476 639603755 /nfs/dbraw/zinc/60/37/55/639603755.db2.gz GBWDDXLGQGAIQW-IUODEOHRSA-N 1 0 267.369 2.286 20 10 CECDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000227828894 639606155 /nfs/dbraw/zinc/60/61/55/639606155.db2.gz UEZUFNSCRTZZPT-UONOGXRCSA-N 1 0 279.336 2.024 20 10 CECDRO COC(=O)COc1ccc(N(C)CC[NH2+]C(C)(C)C)cc1 ZINC000841020027 639619315 /nfs/dbraw/zinc/61/93/15/639619315.db2.gz HUNCABNWMHODIX-UHFFFAOYSA-N 1 0 294.395 2.063 20 10 CECDRO COc1ccc(CN[C@@H](C[NH3+])CC(C)C)cc1C ZINC000841037649 639628552 /nfs/dbraw/zinc/62/85/52/639628552.db2.gz BXUNBNFGLCRBRH-CQSZACIVSA-N 1 0 250.386 2.467 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCCNCc2cccnc2)cc1 ZINC000841041057 639629994 /nfs/dbraw/zinc/62/99/94/639629994.db2.gz BMMCJRCNLRWHSS-UHFFFAOYSA-N 1 0 298.434 2.417 20 10 CECDRO C[NH2+]Cc1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000841043479 639631272 /nfs/dbraw/zinc/63/12/72/639631272.db2.gz QQYAIEKURNNOPQ-UHFFFAOYSA-N 1 0 286.331 2.452 20 10 CECDRO C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841063240 639637864 /nfs/dbraw/zinc/63/78/64/639637864.db2.gz GUKKFPVJXUEWPP-KWQFWETISA-N 1 0 272.751 2.272 20 10 CECDRO C[C@@H]1[NH2+]CCC[C@@H]1NC/C=C/c1ccc(N(C)C)cc1 ZINC000841064260 639639574 /nfs/dbraw/zinc/63/95/74/639639574.db2.gz WZTGFQIWBROGBO-PRIUCCMZSA-N 1 0 273.424 2.496 20 10 CECDRO COc1ccc(CN[C@@H](CC[NH3+])C(F)F)cc1C ZINC000841071675 639642430 /nfs/dbraw/zinc/64/24/30/639642430.db2.gz IGCVGCQWSUIKQK-NSHDSACASA-N 1 0 258.312 2.076 20 10 CECDRO CN(C)c1ccc(/C=C/CN[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000841080025 639648258 /nfs/dbraw/zinc/64/82/58/639648258.db2.gz MHGOOXPNEHYWKK-NHZBNJEXSA-N 1 0 295.377 2.353 20 10 CECDRO C[C@H](CCC[NH3+])[NH2+]Cc1cccc(Br)c1[O-] ZINC000841081331 639649813 /nfs/dbraw/zinc/64/98/13/639649813.db2.gz URUGXWSESKGYEE-SECBINFHSA-N 1 0 287.201 2.372 20 10 CECDRO COc1ccc(CN[C@H](C[NH3+])C(C)(C)C)cc1C ZINC000841087329 639652387 /nfs/dbraw/zinc/65/23/87/639652387.db2.gz JWJYECRKPUHHGQ-CQSZACIVSA-N 1 0 250.386 2.467 20 10 CECDRO [NH3+]CC[C@@H](NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000841090913 639653274 /nfs/dbraw/zinc/65/32/74/639653274.db2.gz QKIUYNLWBYGHJL-SNVBAGLBSA-N 1 0 282.693 2.415 20 10 CECDRO C[C@@H]([NH2+]CC(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000228796284 639660075 /nfs/dbraw/zinc/66/00/75/639660075.db2.gz BJHGUZBANGYKPC-CYBMUJFWSA-N 1 0 275.396 2.026 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000229474851 639702842 /nfs/dbraw/zinc/70/28/42/639702842.db2.gz PMTNCRHDKNOHNZ-OICCZTGUSA-N 1 0 260.381 2.223 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c(O)c1 ZINC000876990783 650522561 /nfs/dbraw/zinc/52/25/61/650522561.db2.gz CQPYLVHJWCBQMF-GFCCVEGCSA-N 1 0 288.313 2.427 20 10 CECDRO Cc1ccc(C[NH2+]CCCc2cnn(C)c2)c(O)c1 ZINC000876997220 650525484 /nfs/dbraw/zinc/52/54/84/650525484.db2.gz QFHHUVPZQYPLDZ-UHFFFAOYSA-N 1 0 259.353 2.157 20 10 CECDRO COc1cccc(CN2CCCC[C@H]2[C@@H](C)[NH3+])c1O ZINC000063191263 639837933 /nfs/dbraw/zinc/83/79/33/639837933.db2.gz XHYLCCOROGYTHP-YPMHNXCESA-N 1 0 264.369 2.103 20 10 CECDRO Oc1ccccc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188446 639838148 /nfs/dbraw/zinc/83/81/48/639838148.db2.gz VIBSKIJIGGZIKY-LSDHHAIUSA-N 1 0 260.381 2.499 20 10 CECDRO CC[NH2+]CCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000841881912 639898286 /nfs/dbraw/zinc/89/82/86/639898286.db2.gz DSPDISUSURKMHW-CYBMUJFWSA-N 1 0 292.427 2.112 20 10 CECDRO COCCCC[N@H+](C)Cc1c(O)cccc1OC ZINC000841893223 639901566 /nfs/dbraw/zinc/90/15/66/639901566.db2.gz BWRSVSCINANUBD-UHFFFAOYSA-N 1 0 253.342 2.259 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000842009195 639918341 /nfs/dbraw/zinc/91/83/41/639918341.db2.gz ZZNPWXAJSPIGBB-NEPJUHHUSA-N 1 0 279.384 2.050 20 10 CECDRO CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(N(C)C)cc1 ZINC000088277971 639954310 /nfs/dbraw/zinc/95/43/10/639954310.db2.gz XEOCHZNODDEIDH-HNNXBMFYSA-N 1 0 291.439 2.380 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1 ZINC000877045113 650545304 /nfs/dbraw/zinc/54/53/04/650545304.db2.gz QDMODHQCBQBQPY-DZGCQCFKSA-N 1 0 290.407 2.437 20 10 CECDRO COCC1(CC[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000842728443 640161206 /nfs/dbraw/zinc/16/12/06/640161206.db2.gz FRKKIJGLSPXJFT-UHFFFAOYSA-N 1 0 279.336 2.027 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cn(C)cn2)c1 ZINC000313267386 640197992 /nfs/dbraw/zinc/19/79/92/640197992.db2.gz SXCHDVKFWLQKGI-LLVKDONJSA-N 1 0 275.352 2.028 20 10 CECDRO Cc1ccc(C[NH2+]C[C@](C)(O)c2ccco2)c(O)c1 ZINC000877072033 650558904 /nfs/dbraw/zinc/55/89/04/650558904.db2.gz GKUNWBPIAGHVEA-HNNXBMFYSA-N 1 0 261.321 2.291 20 10 CECDRO CC(C)(C[NH2+][C@H]1CCc2cccc(O)c21)[C@]1(O)CCOC1 ZINC000842920952 640221389 /nfs/dbraw/zinc/22/13/89/640221389.db2.gz UKQTUCQXFLRAEZ-GUYCJALGSA-N 1 0 291.391 2.147 20 10 CECDRO C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843045247 640251258 /nfs/dbraw/zinc/25/12/58/640251258.db2.gz SNGYTCRIZDQYJS-LLVKDONJSA-N 1 0 268.788 2.477 20 10 CECDRO C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1[NH3+] ZINC000843052026 640255356 /nfs/dbraw/zinc/25/53/56/640255356.db2.gz OROTUMJYBITVGJ-CABZTGNLSA-N 1 0 254.761 2.215 20 10 CECDRO C[NH2+]CCC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000843057355 640259575 /nfs/dbraw/zinc/25/95/75/640259575.db2.gz IYDPVNKYFRKKHM-UHFFFAOYSA-N 1 0 266.360 2.353 20 10 CECDRO C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000843056880 640259968 /nfs/dbraw/zinc/25/99/68/640259968.db2.gz BIJRZTCMVKMMQT-IUCAKERBSA-N 1 0 272.751 2.354 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000843066695 640265841 /nfs/dbraw/zinc/26/58/41/640265841.db2.gz FCMWRMYTZBQUKC-OKILXGFUSA-N 1 0 261.413 2.243 20 10 CECDRO C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000843119733 640287966 /nfs/dbraw/zinc/28/79/66/640287966.db2.gz GDAPQARGVFIRII-MUHKLVGJSA-N 1 0 273.424 2.448 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000843414774 640419044 /nfs/dbraw/zinc/41/90/44/640419044.db2.gz MPZANZJVLJWCCK-CYBMUJFWSA-N 1 0 288.326 2.008 20 10 CECDRO COc1ccc(N(C)CCN(C)CC[NH+]2CCCC2)cc1 ZINC000844400285 640708374 /nfs/dbraw/zinc/70/83/74/640708374.db2.gz ZKXOBXUCJAKUGI-UHFFFAOYSA-N 1 0 291.439 2.159 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1OC ZINC000154419686 640892213 /nfs/dbraw/zinc/89/22/13/640892213.db2.gz IUDRXFYHFCUNIM-OAHLLOKOSA-N 1 0 295.379 2.145 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)COCC2CC2)c1 ZINC000846073899 641174643 /nfs/dbraw/zinc/17/46/43/641174643.db2.gz SRJKRQTYHOXYLO-NSHDSACASA-N 1 0 265.353 2.306 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1O ZINC000846074161 641174858 /nfs/dbraw/zinc/17/48/58/641174858.db2.gz VWWYEMVHNMTFSA-IUODEOHRSA-N 1 0 288.391 2.444 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CC[C@]2(O)CCCOC2)c1O ZINC000846107357 641184351 /nfs/dbraw/zinc/18/43/51/641184351.db2.gz HVGVYJYGUANYQU-OAHLLOKOSA-N 1 0 299.798 2.375 20 10 CECDRO C[C@H](CCO)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000846110603 641185915 /nfs/dbraw/zinc/18/59/15/641185915.db2.gz IVVXOVKCSBEUMF-GEXIGZQTSA-N 1 0 262.397 2.469 20 10 CECDRO Cc1cccc(C[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)c1O ZINC000846117773 641191082 /nfs/dbraw/zinc/19/10/82/641191082.db2.gz GQOFULKHIWEQRE-ZIAGYGMSSA-N 1 0 277.364 2.079 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCN2CCSCC2)c1O ZINC000846142792 641199233 /nfs/dbraw/zinc/19/92/33/641199233.db2.gz CJZAIJMPPJYUKW-LBPRGKRZSA-N 1 0 296.436 2.100 20 10 CECDRO COCC[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846144285 641200758 /nfs/dbraw/zinc/20/07/58/641200758.db2.gz IPPPLULGTUWTKN-QWRGUYRKSA-N 1 0 253.342 2.476 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(N)nc2)c1 ZINC000930216437 641204553 /nfs/dbraw/zinc/20/45/53/641204553.db2.gz HWAUSRIDDHCYEI-JTQLQIEISA-N 1 0 273.336 2.229 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]Cc2cnn(C)c2C)c1O ZINC000846158298 641206481 /nfs/dbraw/zinc/20/64/81/641206481.db2.gz WMFVRTYWIKRQKI-SNVBAGLBSA-N 1 0 275.352 2.294 20 10 CECDRO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)[nH]1 ZINC000846157387 641206555 /nfs/dbraw/zinc/20/65/55/641206555.db2.gz MEMZANKEZUTMHL-UWVGGRQHSA-N 1 0 290.367 2.493 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)C2CCC2)c1O ZINC000846170299 641211587 /nfs/dbraw/zinc/21/15/87/641211587.db2.gz WKVRVXZNYISYRH-ZWNOBZJWSA-N 1 0 265.353 2.212 20 10 CECDRO CC[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(C)cc1O ZINC000846193169 641219171 /nfs/dbraw/zinc/21/91/71/641219171.db2.gz KJOPSIGJDBGFRJ-ZBFHGGJFSA-N 1 0 279.380 2.283 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000846205711 641220308 /nfs/dbraw/zinc/22/03/08/641220308.db2.gz KIGFJJXZHXFXGM-OLZOCXBDSA-N 1 0 288.391 2.362 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](CO)CCF)c(O)c1 ZINC000846208407 641222032 /nfs/dbraw/zinc/22/20/32/641222032.db2.gz JOWLDIACHJMNJH-NWDGAFQWSA-N 1 0 255.333 2.380 20 10 CECDRO C[C@H]([NH2+]CCN1CCCC1=O)c1ccc(Cl)cc1O ZINC000846206913 641222120 /nfs/dbraw/zinc/22/21/20/641222120.db2.gz VSKBRBYDWIONNT-JTQLQIEISA-N 1 0 282.771 2.319 20 10 CECDRO CC[C@H]([NH2+][C@H](CO)CCF)c1ccc(C)cc1O ZINC000846209379 641223444 /nfs/dbraw/zinc/22/34/44/641223444.db2.gz QSKNJFYUWJSZHP-AAEUAGOBSA-N 1 0 255.333 2.462 20 10 CECDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCCSc1nccs1 ZINC000846671270 641384790 /nfs/dbraw/zinc/38/47/90/641384790.db2.gz QEFOIKWDYAGUSH-WDEREUQCSA-N 1 0 299.465 2.259 20 10 CECDRO [NH3+]C1(CC(=O)NCCCSc2nccs2)CCC1 ZINC000237811052 641385367 /nfs/dbraw/zinc/38/53/67/641385367.db2.gz RRQBWTOYGNPPEL-UHFFFAOYSA-N 1 0 285.438 2.013 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000846698514 641400558 /nfs/dbraw/zinc/40/05/58/641400558.db2.gz IHEOOZHPALTUAG-AAEUAGOBSA-N 1 0 264.369 2.103 20 10 CECDRO C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000846705017 641403005 /nfs/dbraw/zinc/40/30/05/641403005.db2.gz WZOWGWHRAWIQKN-MWLCHTKSSA-N 1 0 254.761 2.357 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)cc1 ZINC000846921292 641484554 /nfs/dbraw/zinc/48/45/54/641484554.db2.gz RRLJIWISUIVMQL-INIZCTEOSA-N 1 0 289.423 2.195 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N[C@H](C)C(C)C)c1 ZINC000182406117 641655591 /nfs/dbraw/zinc/65/55/91/641655591.db2.gz MTXOGXRCCGHPTO-VXGBXAGGSA-N 1 0 294.395 2.212 20 10 CECDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1ccccc1O ZINC000183317158 641727219 /nfs/dbraw/zinc/72/72/19/641727219.db2.gz BLLCSCYYPGPGEN-AWEZNQCLSA-N 1 0 276.380 2.445 20 10 CECDRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183385184 641732931 /nfs/dbraw/zinc/73/29/31/641732931.db2.gz HSXGHLZSOFBXKJ-GJZGRUSLSA-N 1 0 292.423 2.400 20 10 CECDRO C[C@@H]1CC[N@H+](CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000848242374 641932737 /nfs/dbraw/zinc/93/27/37/641932737.db2.gz DLSXFBIJAXYXAX-SNVBAGLBSA-N 1 0 282.771 2.004 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCCN2CCC2)cc1F ZINC000848546046 642046463 /nfs/dbraw/zinc/04/64/63/642046463.db2.gz QHEALEJBWYHOBO-UHFFFAOYSA-N 1 0 265.376 2.077 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1 ZINC000848571558 642059721 /nfs/dbraw/zinc/05/97/21/642059721.db2.gz QKBSZFSIALVIMX-YPMHNXCESA-N 1 0 290.363 2.334 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc1C ZINC000848578502 642064869 /nfs/dbraw/zinc/06/48/69/642064869.db2.gz QGLYMPZVDPHPJP-CQSZACIVSA-N 1 0 290.363 2.076 20 10 CECDRO Nc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848594375 642072237 /nfs/dbraw/zinc/07/22/37/642072237.db2.gz JZRLPTXAOKWIOV-HUUCEWRRSA-N 1 0 288.395 2.407 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCSC[C@@H]2CCO)c1 ZINC000770305939 642154431 /nfs/dbraw/zinc/15/44/31/642154431.db2.gz WUWKRBHVFLHWEB-ZDUSSCGKSA-N 1 0 267.394 2.000 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1O ZINC000848881218 642168553 /nfs/dbraw/zinc/16/85/53/642168553.db2.gz LZQLKBTWZJPJGU-SMDDNHRTSA-N 1 0 276.380 2.040 20 10 CECDRO COC(=O)c1cc(C[NH2+]Cc2ccccc2O)c(C)o1 ZINC000848895044 642175506 /nfs/dbraw/zinc/17/55/06/642175506.db2.gz OKPRAYCEUMWDFG-UHFFFAOYSA-N 1 0 275.304 2.370 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1O ZINC000848898573 642178164 /nfs/dbraw/zinc/17/81/64/642178164.db2.gz WENUBRLVJLPOHX-NILFDRSVSA-N 1 0 288.391 2.054 20 10 CECDRO CCc1cccc(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)c1O ZINC000848904440 642181421 /nfs/dbraw/zinc/18/14/21/642181421.db2.gz UBYXPMVYOVFWEM-QWHCGFSZSA-N 1 0 262.397 2.479 20 10 CECDRO CCc1cccc(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)c1O ZINC000848904439 642181999 /nfs/dbraw/zinc/18/19/99/642181999.db2.gz UBYXPMVYOVFWEM-OLZOCXBDSA-N 1 0 262.397 2.479 20 10 CECDRO Cc1cccc(C[NH2+]C[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000848922989 642195679 /nfs/dbraw/zinc/19/56/79/642195679.db2.gz BABDFUXFCYDVHF-SOUVJXGZSA-N 1 0 292.423 2.288 20 10 CECDRO COc1cc(C[NH2+][C@H]2CCN(C)C2)c(O)c(C(C)(C)C)c1 ZINC000850119037 642584932 /nfs/dbraw/zinc/58/49/32/642584932.db2.gz MQSXKACNFTYZHK-ZDUSSCGKSA-N 1 0 292.423 2.492 20 10 CECDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850342207 642673152 /nfs/dbraw/zinc/67/31/52/642673152.db2.gz DIWXEVMGYFKPPP-GFCCVEGCSA-N 1 0 292.379 2.083 20 10 CECDRO COC[C@@H](CC[NH2+]Cc1cc(C)c(C)cc1O)OC ZINC000850345446 642674624 /nfs/dbraw/zinc/67/46/24/642674624.db2.gz AJXINLMTONWADE-CQSZACIVSA-N 1 0 267.369 2.150 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(C)nn3)C2)cc1 ZINC000850346730 642675217 /nfs/dbraw/zinc/67/52/17/642675217.db2.gz IQKPZSOEGAHZEG-OAHLLOKOSA-N 1 0 298.390 2.162 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]C3CCOCC3)C2)cc1 ZINC000850347698 642675254 /nfs/dbraw/zinc/67/52/54/642675254.db2.gz WCXBAUBDUUPYOF-CQSZACIVSA-N 1 0 276.380 2.043 20 10 CECDRO COC[C@@H]([NH2+]Cc1cc(C)ccc1O)C1CCOCC1 ZINC000850350716 642676608 /nfs/dbraw/zinc/67/66/08/642676608.db2.gz GOZWXHGEVNGSCN-OAHLLOKOSA-N 1 0 279.380 2.232 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)cc1C ZINC000850352530 642679032 /nfs/dbraw/zinc/67/90/32/642679032.db2.gz ZSOJBHISONZIGT-YPMHNXCESA-N 1 0 272.352 2.396 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](O)C2)c(C(F)(F)F)c1 ZINC000850417997 642705012 /nfs/dbraw/zinc/70/50/12/642705012.db2.gz VBDAWZKRCHVJGZ-UMSPYCQHSA-N 1 0 288.313 2.384 20 10 CECDRO CCOC1CC([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000850488766 642730046 /nfs/dbraw/zinc/73/00/46/642730046.db2.gz OMSWQIXIPXIGSC-TUBUQKNSSA-N 1 0 290.407 2.431 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC000850544576 642747589 /nfs/dbraw/zinc/74/75/89/642747589.db2.gz IHGQLBOLBWKUMN-YPMHNXCESA-N 1 0 279.380 2.460 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cc(F)ccc1O ZINC000850547818 642749466 /nfs/dbraw/zinc/74/94/66/642749466.db2.gz XDCPYHSDRBMQJT-QCZZGDTMSA-N 1 0 265.328 2.485 20 10 CECDRO C[C@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)[S@](C)=O ZINC000921862881 642761742 /nfs/dbraw/zinc/76/17/42/642761742.db2.gz UJRABXAKXWQTKP-BLVKFPJESA-N 1 0 281.421 2.258 20 10 CECDRO Cn1ccc(CC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000921997744 642833145 /nfs/dbraw/zinc/83/31/45/642833145.db2.gz LHVOXMTUUJEQHB-UHFFFAOYSA-N 1 0 271.364 2.077 20 10 CECDRO COc1cccnc1C[NH2+]Cc1ccc(C)cc1O ZINC000877574446 650795777 /nfs/dbraw/zinc/79/57/77/650795777.db2.gz JVTNSPSRKSDMPT-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO COC(OC)[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000922313258 643023231 /nfs/dbraw/zinc/02/32/31/643023231.db2.gz DRBFZEDAAVPXDW-LLVKDONJSA-N 1 0 253.342 2.106 20 10 CECDRO Nc1ccc(CCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1 ZINC000851632940 643100827 /nfs/dbraw/zinc/10/08/27/643100827.db2.gz YYTNEZZINUGUED-KRWDZBQOSA-N 1 0 295.386 2.162 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2CCN(C)[C@@H]2C)ccc1OC ZINC000922556351 643125031 /nfs/dbraw/zinc/12/50/31/643125031.db2.gz GHESGGJDMLHAMJ-CJNGLKHVSA-N 1 0 292.423 2.414 20 10 CECDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CCN1C ZINC000922557474 643127194 /nfs/dbraw/zinc/12/71/94/643127194.db2.gz ORGNJGZIJSACLE-RISCZKNCSA-N 1 0 265.376 2.074 20 10 CECDRO Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CCN2C)c1 ZINC000922575982 643135433 /nfs/dbraw/zinc/13/54/33/643135433.db2.gz IXCOGMGXQBSQQI-NSHDSACASA-N 1 0 299.212 2.257 20 10 CECDRO Cc1ccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c(O)c1 ZINC000877620364 650817024 /nfs/dbraw/zinc/81/70/24/650817024.db2.gz HPJDWGFHKIXKKN-UHFFFAOYSA-N 1 0 297.420 2.005 20 10 CECDRO C[C@@H]1COC[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000922642295 643181027 /nfs/dbraw/zinc/18/10/27/643181027.db2.gz PJGGVIGZOTZJID-WSXGPOFGSA-N 1 0 260.381 2.390 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2cc(OC)no2)c(O)c1 ZINC000877635455 650826677 /nfs/dbraw/zinc/82/66/77/650826677.db2.gz RRGVGRZKFFCUNM-UHFFFAOYSA-N 1 0 278.308 2.077 20 10 CECDRO Cc1ccc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c(O)c1 ZINC000877636724 650827837 /nfs/dbraw/zinc/82/78/37/650827837.db2.gz HDAZWVVMIIAEJA-HNNXBMFYSA-N 1 0 290.407 2.437 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCS1 ZINC000922843105 643289833 /nfs/dbraw/zinc/28/98/33/643289833.db2.gz PJJXGIPKGAXDBD-ONGXEEELSA-N 1 0 281.377 2.495 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000877641424 650830083 /nfs/dbraw/zinc/83/00/83/650830083.db2.gz ZRZBQXFQIIIENQ-UHFFFAOYSA-N 1 0 290.363 2.117 20 10 CECDRO COc1cccc(C[NH2+]CCNc2ccc(C)cn2)c1O ZINC000922925691 643455224 /nfs/dbraw/zinc/45/52/24/643455224.db2.gz NGFHOORHXUUXMI-UHFFFAOYSA-N 1 0 287.363 2.306 20 10 CECDRO COc1ccc(C[NH2+]CCOC2CCOCC2)cc1C ZINC000922929971 643456088 /nfs/dbraw/zinc/45/60/88/643456088.db2.gz BEDAAWQDRPHWSA-UHFFFAOYSA-N 1 0 279.380 2.289 20 10 CECDRO CCOc1cccc(C[NH2+]CCOC2CCOCC2)c1O ZINC000922934368 643462739 /nfs/dbraw/zinc/46/27/39/643462739.db2.gz SKWCJYMRFUEHAR-UHFFFAOYSA-N 1 0 295.379 2.076 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877683259 650848246 /nfs/dbraw/zinc/84/82/46/650848246.db2.gz VGGVRZKGCXEARH-UIQMYNOKSA-N 1 0 263.312 2.044 20 10 CECDRO C[C@H]1CN(C(=O)C=C2CC[NH2+]CC2)c2ccccc2O1 ZINC000852838920 643571325 /nfs/dbraw/zinc/57/13/25/643571325.db2.gz RZDVFQMPODPVFG-LBPRGKRZSA-N 1 0 272.348 2.110 20 10 CECDRO CC[C@@]1(O)CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000877691729 650852881 /nfs/dbraw/zinc/85/28/81/650852881.db2.gz UPRQJTKVCOJRJI-MRXNPFEDSA-N 1 0 295.379 2.146 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@H](O)C(F)(F)F ZINC000877693758 650854802 /nfs/dbraw/zinc/85/48/02/650854802.db2.gz QCMZRABCHJXNDP-GWCFXTLKSA-N 1 0 290.329 2.462 20 10 CECDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000923295448 643646777 /nfs/dbraw/zinc/64/67/77/643646777.db2.gz WXUAQEXEPOIIOC-HNNXBMFYSA-N 1 0 261.413 2.245 20 10 CECDRO CN(C)c1ccc(CN(C)[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC000877706644 650862930 /nfs/dbraw/zinc/86/29/30/650862930.db2.gz PHPOMKJHVUJACA-QGZVFWFLSA-N 1 0 291.414 2.418 20 10 CECDRO CN1CC(C[N@H+](C)Cc2cc3c(cc2O)CCCC3)C1 ZINC000853553464 643811796 /nfs/dbraw/zinc/81/17/96/643811796.db2.gz OPKSECKUQONGBT-UHFFFAOYSA-N 1 0 274.408 2.264 20 10 CECDRO COC(=O)C1CC([NH2+]Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000877723699 650871603 /nfs/dbraw/zinc/87/16/03/650871603.db2.gz PAFMUMDDCVPEOL-UHFFFAOYSA-N 1 0 298.333 2.072 20 10 CECDRO C[NH2+]C[C@H](C)N[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000854231982 644018893 /nfs/dbraw/zinc/01/88/93/644018893.db2.gz MOPWINSRVOOAAO-ATZCPNFKSA-N 1 0 252.333 2.277 20 10 CECDRO COc1cccc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)c1O ZINC000839148058 644157763 /nfs/dbraw/zinc/15/77/63/644157763.db2.gz VZCKFTXMZABKIU-BETUJISGSA-N 1 0 265.353 2.446 20 10 CECDRO CCOc1cccc(C[NH+]2CC(c3nc(C)no3)C2)c1O ZINC000839130817 644168327 /nfs/dbraw/zinc/16/83/27/644168327.db2.gz HZHSOXUCSGUHEA-UHFFFAOYSA-N 1 0 289.335 2.082 20 10 CECDRO OCCC1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839140025 644172342 /nfs/dbraw/zinc/17/23/42/644172342.db2.gz IVXLWGKTUQBHSU-UHFFFAOYSA-N 1 0 274.408 2.491 20 10 CECDRO COc1cc(O)c(C[NH+]2CC3(C2)CCOCC3)cc1OC ZINC000839141320 644172683 /nfs/dbraw/zinc/17/26/83/644172683.db2.gz PLEYEMCLFPBOFH-UHFFFAOYSA-N 1 0 293.363 2.022 20 10 CECDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1O)[C@@H]1CCOC1 ZINC000877755578 650899266 /nfs/dbraw/zinc/89/92/66/650899266.db2.gz GKEYJPUYBQXPCU-JMSVASOKSA-N 1 0 265.353 2.094 20 10 CECDRO CC(C)n1cc(C[NH2+][C@@H](C)c2ccccc2O)nn1 ZINC000877758310 650900335 /nfs/dbraw/zinc/90/03/35/650900335.db2.gz SFWBGOZUEHVVAB-NSHDSACASA-N 1 0 260.341 2.415 20 10 CECDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cc(OC)ccc1O ZINC000753984555 644307173 /nfs/dbraw/zinc/30/71/73/644307173.db2.gz BNDFIGPDWIBAFS-NSHDSACASA-N 1 0 294.395 2.184 20 10 CECDRO COc1cc(C)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000754726139 644421384 /nfs/dbraw/zinc/42/13/84/644421384.db2.gz CDAJFJYVNULTDM-OAHLLOKOSA-N 1 0 290.407 2.379 20 10 CECDRO CC(C)NC(=O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756359805 644635658 /nfs/dbraw/zinc/63/56/58/644635658.db2.gz DLFCRROGXKYDKR-MWLCHTKSSA-N 1 0 280.343 2.194 20 10 CECDRO C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756491094 644654424 /nfs/dbraw/zinc/65/44/24/644654424.db2.gz XVVWQTLKXVDOOH-FOGDFJRCSA-N 1 0 290.342 2.349 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCOC[C@@H]2CCOC2)c(O)c1 ZINC000756564170 644667790 /nfs/dbraw/zinc/66/77/90/644667790.db2.gz QQITVXULXPJXBM-UONOGXRCSA-N 1 0 279.380 2.404 20 10 CECDRO CCc1nncn1CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756618889 644675159 /nfs/dbraw/zinc/67/51/59/644675159.db2.gz CSJXFFYSZZWBCQ-GFCCVEGCSA-N 1 0 274.368 2.205 20 10 CECDRO C[C@H]([NH2+]CCNc1cnccn1)c1cc(F)ccc1O ZINC000756646954 644677786 /nfs/dbraw/zinc/67/77/86/644677786.db2.gz QZVNZCDJKBVEAQ-JTQLQIEISA-N 1 0 276.315 2.084 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)nc2)c(O)c1C ZINC000756641069 644678306 /nfs/dbraw/zinc/67/83/06/644678306.db2.gz RUAHXZUHXFUNLS-LBPRGKRZSA-N 1 0 299.374 2.354 20 10 CECDRO CCn1cnnc1CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756733304 644687358 /nfs/dbraw/zinc/68/73/58/644687358.db2.gz OLWGVLRBQIUQAB-LBPRGKRZSA-N 1 0 274.368 2.205 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000756731554 644687394 /nfs/dbraw/zinc/68/73/94/644687394.db2.gz CAWPDJSDTLJFIS-RYUDHWBXSA-N 1 0 283.368 2.103 20 10 CECDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756731400 644687526 /nfs/dbraw/zinc/68/75/26/644687526.db2.gz ABWIPSRITWDOPL-MNOVXSKESA-N 1 0 271.332 2.233 20 10 CECDRO CC(C)N1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)CC1=O ZINC000756739804 644688086 /nfs/dbraw/zinc/68/80/86/644688086.db2.gz ZCFMOKQKCSATAM-ZYHUDNBSSA-N 1 0 280.343 2.191 20 10 CECDRO C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(Cl)ccc1O ZINC000756768944 644690542 /nfs/dbraw/zinc/69/05/42/644690542.db2.gz BJWXMZDXRWTURX-DTWKUNHWSA-N 1 0 291.800 2.129 20 10 CECDRO COc1ccc(N2CC[NH+](CC[C@H](O)C(C)C)CC2)cc1 ZINC000877912384 650945085 /nfs/dbraw/zinc/94/50/85/650945085.db2.gz SNFHKTVEDLOZNR-KRWDZBQOSA-N 1 0 292.423 2.224 20 10 CECDRO Cc1cc(Br)c(O)c(CN(C)[C@H](C)C[NH3+])c1 ZINC000843051994 644759183 /nfs/dbraw/zinc/75/91/83/644759183.db2.gz NXVAPESVAZXWPH-SECBINFHSA-N 1 0 287.201 2.242 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000857084597 644812852 /nfs/dbraw/zinc/81/28/52/644812852.db2.gz XLNYOVBQVSUBDL-TZMCWYRMSA-N 1 0 276.380 2.280 20 10 CECDRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Cl)ccc1O ZINC000757659869 644832931 /nfs/dbraw/zinc/83/29/31/644832931.db2.gz STOOKDJTGSCQHR-QMTHXVAHSA-N 1 0 299.798 2.484 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCC[C@H]2O)cc1F ZINC000858146872 645074423 /nfs/dbraw/zinc/07/44/23/645074423.db2.gz BYXHTRFUHNSNDB-ZUZCIYMTSA-N 1 0 284.350 2.281 20 10 CECDRO CC(C)[C@@H](CO)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858164516 645078370 /nfs/dbraw/zinc/07/83/70/645078370.db2.gz ZSKDXOIEYOELPX-GFCCVEGCSA-N 1 0 286.366 2.385 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2C[C@@](C)(O)C2)cc1F ZINC000858178844 645081751 /nfs/dbraw/zinc/08/17/51/645081751.db2.gz BGAKYUOQOHDRIX-WJONMLJTSA-N 1 0 270.323 2.034 20 10 CECDRO COC(=O)c1cc(C[NH2+]Cc2cc(C)ccc2O)cn1C ZINC000858240009 645096038 /nfs/dbraw/zinc/09/60/38/645096038.db2.gz YTCHDJWVNKFDBH-UHFFFAOYSA-N 1 0 288.347 2.116 20 10 CECDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000858322177 645118156 /nfs/dbraw/zinc/11/81/56/645118156.db2.gz PKBXDUWYDKDZTL-HAQNSBGRSA-N 1 0 252.333 2.159 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)cc1C ZINC000858343338 645126119 /nfs/dbraw/zinc/12/61/19/645126119.db2.gz YMYOPWPFQRAJIS-OAHLLOKOSA-N 1 0 288.391 2.252 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)OC)cc1 ZINC000858578124 645207367 /nfs/dbraw/zinc/20/73/67/645207367.db2.gz GZXYKJPDAQGPLM-OLZOCXBDSA-N 1 0 293.411 2.202 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1O ZINC000760886887 645207572 /nfs/dbraw/zinc/20/75/72/645207572.db2.gz OTPJDYHDOLMNGW-RIEGTJTDSA-N 1 0 283.343 2.376 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCCO1 ZINC000761227817 645259320 /nfs/dbraw/zinc/25/93/20/645259320.db2.gz CAHNUCRJZMSZBU-LLVKDONJSA-N 1 0 251.326 2.012 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)c(O)c1 ZINC000762504695 645421985 /nfs/dbraw/zinc/42/19/85/645421985.db2.gz VTPZCADTXBKAAW-BXUZGUMPSA-N 1 0 265.353 2.306 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)c(O)c1 ZINC000762504700 645422458 /nfs/dbraw/zinc/42/24/58/645422458.db2.gz VTPZCADTXBKAAW-RISCZKNCSA-N 1 0 265.353 2.306 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC000762964755 645484770 /nfs/dbraw/zinc/48/47/70/645484770.db2.gz QULDDVCAKTXHSU-UHFFFAOYSA-N 1 0 289.423 2.195 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)CC(N)=O)cc1 ZINC000763399506 645541980 /nfs/dbraw/zinc/54/19/80/645541980.db2.gz WZJPSMYGUYLZDE-NEPJUHHUSA-N 1 0 263.385 2.057 20 10 CECDRO COc1cccc(C[NH2+]CCOCC2CCC2)c1O ZINC000764978212 645716862 /nfs/dbraw/zinc/71/68/62/645716862.db2.gz SQUCRQGLHUCMGJ-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000765789091 645809193 /nfs/dbraw/zinc/80/91/93/645809193.db2.gz OWVSXOMMYYTSJM-CABCVRRESA-N 1 0 291.439 2.124 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000765796553 645811332 /nfs/dbraw/zinc/81/13/32/645811332.db2.gz OJPDYWQJHXJIJM-BXKDBHETSA-N 1 0 282.771 2.050 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@](C)(O)COC)cc1 ZINC000765934749 645823591 /nfs/dbraw/zinc/82/35/91/645823591.db2.gz CRLDIFBROSLOKD-XJKSGUPXSA-N 1 0 280.412 2.191 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000766030740 645838641 /nfs/dbraw/zinc/83/86/41/645838641.db2.gz WYOLXCACJCDZOF-OAHLLOKOSA-N 1 0 273.424 2.387 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000766435875 645886337 /nfs/dbraw/zinc/88/63/37/645886337.db2.gz BJVONMVJVRJFTI-HZPDHXFCSA-N 1 0 289.423 2.414 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768442831 646123010 /nfs/dbraw/zinc/12/30/10/646123010.db2.gz ODVVUFKOQUTBIT-CQSZACIVSA-N 1 0 289.375 2.266 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768444586 646123784 /nfs/dbraw/zinc/12/37/84/646123784.db2.gz MNJANGOANKXSCW-NHYWBVRUSA-N 1 0 277.364 2.440 20 10 CECDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768447247 646124066 /nfs/dbraw/zinc/12/40/66/646124066.db2.gz NSLHLZGKBNIORS-BFVZDQMLSA-N 1 0 295.404 2.144 20 10 CECDRO CC1(C)CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768447699 646124079 /nfs/dbraw/zinc/12/40/79/646124079.db2.gz AVYWEIHMSMLPJW-CQSZACIVSA-N 1 0 277.364 2.440 20 10 CECDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC(C)(C)C ZINC000768447425 646124097 /nfs/dbraw/zinc/12/40/97/646124097.db2.gz OWKBXGLPQFFXHI-CYBMUJFWSA-N 1 0 265.353 2.296 20 10 CECDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464010 646126162 /nfs/dbraw/zinc/12/61/62/646126162.db2.gz YTWMQEVAEFLGPZ-SMDDNHRTSA-N 1 0 295.404 2.145 20 10 CECDRO CC1(C)CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768465627 646128162 /nfs/dbraw/zinc/12/81/62/646128162.db2.gz JNUHLGVUQQMBGD-CYBMUJFWSA-N 1 0 263.337 2.050 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c(O)c1 ZINC000768537661 646137028 /nfs/dbraw/zinc/13/70/28/646137028.db2.gz RIQGHVZKIQCGOW-VXGBXAGGSA-N 1 0 265.353 2.400 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c(O)c1 ZINC000769423468 646263614 /nfs/dbraw/zinc/26/36/14/646263614.db2.gz RXKLZSJAXJBCQB-RYUDHWBXSA-N 1 0 265.353 2.400 20 10 CECDRO CC[N@@H+]1C[C@@H](C)N(Cc2cccc(OC)c2O)C[C@@H]1C ZINC000769465544 646272412 /nfs/dbraw/zinc/27/24/12/646272412.db2.gz HEBSJBBSLMAZPI-QWHCGFSZSA-N 1 0 278.396 2.315 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](O)CC2)cc1F ZINC000862380770 646426935 /nfs/dbraw/zinc/42/69/35/646426935.db2.gz MTEULCXSMMZGMO-GFCCVEGCSA-N 1 0 284.350 2.378 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H]1CO ZINC000862425498 646455865 /nfs/dbraw/zinc/45/58/65/646455865.db2.gz YEBQUKAOYPJWKF-YPMHNXCESA-N 1 0 298.377 2.481 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c1 ZINC000862528834 646485401 /nfs/dbraw/zinc/48/54/01/646485401.db2.gz JXMPUJXKYUFHBX-GOEBONIOSA-N 1 0 261.365 2.295 20 10 CECDRO CC[C@@H](C(=O)NCc1cc(C)ccc1O)[NH+](CC)CC ZINC000862759546 646559320 /nfs/dbraw/zinc/55/93/20/646559320.db2.gz FWLGZYBNUNQGAB-AWEZNQCLSA-N 1 0 278.396 2.437 20 10 CECDRO CC[C@H](C(=O)NCc1cc(C)ccc1O)[NH+](CC)CC ZINC000862759547 646559738 /nfs/dbraw/zinc/55/97/38/646559738.db2.gz FWLGZYBNUNQGAB-CQSZACIVSA-N 1 0 278.396 2.437 20 10 CECDRO COc1cccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1O ZINC000119184664 646602204 /nfs/dbraw/zinc/60/22/04/646602204.db2.gz FVBIZQRCYTVAHD-HOCLYGCPSA-N 1 0 285.343 2.149 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000773130268 646709544 /nfs/dbraw/zinc/70/95/44/646709544.db2.gz HUAXDAGWXJSHSI-WQVCFCJDSA-N 1 0 289.423 2.318 20 10 CECDRO CCN(CC)c1ccc(CN[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000863487477 646741195 /nfs/dbraw/zinc/74/11/95/646741195.db2.gz QLFCKFBTYPCRDM-XJKSGUPXSA-N 1 0 261.413 2.373 20 10 CECDRO CC[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(Cl)c1[O-] ZINC000863548191 646753635 /nfs/dbraw/zinc/75/36/35/646753635.db2.gz VPDZMOPGVCKMNH-CYBMUJFWSA-N 1 0 286.803 2.452 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2CC1=CCCOC1 ZINC000863642359 646775150 /nfs/dbraw/zinc/77/51/50/646775150.db2.gz YUFOJZVYRGSKQB-UHFFFAOYSA-N 1 0 258.365 2.245 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@@]2(C)C(N)=O)cc1 ZINC000773838504 646779243 /nfs/dbraw/zinc/77/92/43/646779243.db2.gz KQONNAMTBFMYDY-KRWDZBQOSA-N 1 0 289.423 2.373 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)CC2(O)CCOCC2)cc1 ZINC000773887230 646784803 /nfs/dbraw/zinc/78/48/03/646784803.db2.gz FIUSFJVDFQZVJY-UHFFFAOYSA-N 1 0 292.423 2.116 20 10 CECDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000774830416 646900432 /nfs/dbraw/zinc/90/04/32/646900432.db2.gz CNUWGFNUZHOHKH-GXFFZTMASA-N 1 0 279.336 2.026 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C)nc2)c1 ZINC000775361149 646945331 /nfs/dbraw/zinc/94/53/31/646945331.db2.gz CEPWYHAIJVTQOP-JTQLQIEISA-N 1 0 273.336 2.350 20 10 CECDRO C[C@@H](NC(=O)C1([NH+](C)C)CCC1)c1ccc(N(C)C)cc1 ZINC000775412595 646951831 /nfs/dbraw/zinc/95/18/31/646951831.db2.gz ZPYCVNFLFBGJSI-CYBMUJFWSA-N 1 0 289.423 2.414 20 10 CECDRO CC[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccccc1O ZINC000775416247 646952692 /nfs/dbraw/zinc/95/26/92/646952692.db2.gz XMMGVVCFTUFQFX-DZGCQCFKSA-N 1 0 279.380 2.220 20 10 CECDRO CC[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccccc1O ZINC000775499179 646960733 /nfs/dbraw/zinc/96/07/33/646960733.db2.gz PJOPINMQSJBBRM-ZFWWWQNUSA-N 1 0 278.396 2.154 20 10 CECDRO CC[C@H]([NH2+]CCNc1cnccn1)c1ccccc1O ZINC000775512687 646961232 /nfs/dbraw/zinc/96/12/32/646961232.db2.gz AGPKWECVUBTMNZ-ZDUSSCGKSA-N 1 0 272.352 2.335 20 10 CECDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834226 646997738 /nfs/dbraw/zinc/99/77/38/646997738.db2.gz MDQQVQDUICWSME-CYBMUJFWSA-N 1 0 298.452 2.228 20 10 CECDRO CC[C@H]1CCN(C(=[NH2+])NCc2ccc(OC)cc2O)C1 ZINC000864464429 647018807 /nfs/dbraw/zinc/01/88/07/647018807.db2.gz COSINPHBMWEQQL-NSHDSACASA-N 1 0 277.368 2.157 20 10 CECDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(OC)ccc1O ZINC000776220675 647038394 /nfs/dbraw/zinc/03/83/94/647038394.db2.gz YRKSZVMFPVQDSZ-AAEUAGOBSA-N 1 0 267.369 2.288 20 10 CECDRO CSC[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000777660190 647163226 /nfs/dbraw/zinc/16/32/26/647163226.db2.gz DHPNZIMSVWSOMI-INIZCTEOSA-N 1 0 294.464 2.441 20 10 CECDRO C[C@@H](NC(=S)NC1CC[NH+](C)CC1)c1ccccc1O ZINC000865269144 647224918 /nfs/dbraw/zinc/22/49/18/647224918.db2.gz BHWFRHVTWHEJGP-LLVKDONJSA-N 1 0 293.436 2.012 20 10 CECDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc(F)ccc1O ZINC000779088634 647286712 /nfs/dbraw/zinc/28/67/12/647286712.db2.gz SPIJDKVWCPCRTD-GWCFXTLKSA-N 1 0 255.333 2.418 20 10 CECDRO CCC[C@H](CCO)[NH2+]Cc1ccc(OCC)cc1O ZINC000865663002 647412786 /nfs/dbraw/zinc/41/27/86/647412786.db2.gz JAKSWBWOTWMVSR-CYBMUJFWSA-N 1 0 267.369 2.432 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@@H](O)C(F)F)c(Cl)c1 ZINC000865687834 647423399 /nfs/dbraw/zinc/42/33/99/647423399.db2.gz LZDQSTCPVADUTD-SNVBAGLBSA-N 1 0 279.714 2.460 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1F ZINC000865691708 647425629 /nfs/dbraw/zinc/42/56/29/647425629.db2.gz DSLLCPIQHMCJHY-NTLKJNNPSA-N 1 0 290.382 2.405 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c(O)c1 ZINC000865710498 647433178 /nfs/dbraw/zinc/43/31/78/647433178.db2.gz AWBCGMCXYNTHCV-PRHODGIISA-N 1 0 293.285 2.192 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1OC ZINC000780891856 647477500 /nfs/dbraw/zinc/47/75/00/647477500.db2.gz AOAOKUABIYAURT-VXGBXAGGSA-N 1 0 295.379 2.002 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CC)C[C@H](C)O)c(O)c1 ZINC000865872361 647514540 /nfs/dbraw/zinc/51/45/40/647514540.db2.gz LCKYHJAPORBJLT-WCQYABFASA-N 1 0 267.369 2.430 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c(O)c1 ZINC000865876183 647518270 /nfs/dbraw/zinc/51/82/70/647518270.db2.gz OIODVUCGXNQCOH-KGLIPLIRSA-N 1 0 265.353 2.184 20 10 CECDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000783505590 647722207 /nfs/dbraw/zinc/72/22/07/647722207.db2.gz IEWZPAVOYQOPGF-NWDGAFQWSA-N 1 0 278.352 2.274 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000783600115 647735732 /nfs/dbraw/zinc/73/57/32/647735732.db2.gz VTCPGEOVROCXFP-UHFFFAOYSA-N 1 0 251.301 2.144 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(Cl)ccc1O ZINC000866497513 647807058 /nfs/dbraw/zinc/80/70/58/647807058.db2.gz HRBIUEPAWDDJJR-YRGRVCCFSA-N 1 0 285.771 2.236 20 10 CECDRO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc2ccccc2c1O ZINC000866498540 647807311 /nfs/dbraw/zinc/80/73/11/647807311.db2.gz ZCFAZZTXBJPYNT-IUIKQTSFSA-N 1 0 287.359 2.346 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1 ZINC000785987210 647975756 /nfs/dbraw/zinc/97/57/56/647975756.db2.gz GJJRDIGHVQWXPO-ZOWXZIJZSA-N 1 0 279.380 2.382 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)[C@@H]1C ZINC000787243383 648090090 /nfs/dbraw/zinc/09/00/90/648090090.db2.gz WJXUJEUAIYUQSH-DGCLKSJQSA-N 1 0 293.363 2.093 20 10 CECDRO CCOc1ccc(C[NH2+]CCCCCO)c(O)c1 ZINC000790483091 648421908 /nfs/dbraw/zinc/42/19/08/648421908.db2.gz IDQOGGWSOALXKA-UHFFFAOYSA-N 1 0 253.342 2.043 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1C ZINC000790619743 648435669 /nfs/dbraw/zinc/43/56/69/648435669.db2.gz RGZIXZQGCMKQNA-HOCLYGCPSA-N 1 0 295.423 2.257 20 10 CECDRO CC1(C)C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000790938546 648462932 /nfs/dbraw/zinc/46/29/32/648462932.db2.gz WZKNTPIQJSPKRH-LBPRGKRZSA-N 1 0 255.745 2.248 20 10 CECDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790976679 648467339 /nfs/dbraw/zinc/46/73/39/648467339.db2.gz LAXOSGXQYXKYGR-ASCAZGACSA-N 1 0 293.791 2.431 20 10 CECDRO c1csc(SCCC[NH2+]Cc2ccon2)n1 ZINC000873054882 649545468 /nfs/dbraw/zinc/54/54/68/649545468.db2.gz ZVOPEDOKOAXWCY-UHFFFAOYSA-N 1 0 255.368 2.403 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@](C)(CO)COC)cc1C ZINC000873069246 649550061 /nfs/dbraw/zinc/55/00/61/649550061.db2.gz ABKNVWAIUUQSKF-INIZCTEOSA-N 1 0 281.396 2.271 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@](C)(CO)OC)cc1C ZINC000873132811 649565763 /nfs/dbraw/zinc/56/57/63/649565763.db2.gz GVMFPHLIHJLZBY-MRXNPFEDSA-N 1 0 281.396 2.271 20 10 CECDRO Cc1cc(C)c(O)c(C[N@H+](C)CC(=O)N2CCCC2)c1 ZINC000874040459 649739946 /nfs/dbraw/zinc/73/99/46/649739946.db2.gz BQTGTVIBPRNWKW-UHFFFAOYSA-N 1 0 276.380 2.063 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CCN(CC(F)F)CC1)CCC2 ZINC000128804497 651595593 /nfs/dbraw/zinc/59/55/93/651595593.db2.gz RUEQYVMPUXGEAR-UHFFFAOYSA-N 1 0 296.361 2.264 20 10 CECDRO C[N@@H+]1CCCC[C@H]1CCC(=O)N1Cc2cccc(O)c2C1 ZINC000881431169 651720806 /nfs/dbraw/zinc/72/08/06/651720806.db2.gz QNCIBQFKPICBSU-AWEZNQCLSA-N 1 0 288.391 2.499 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000883082286 652358062 /nfs/dbraw/zinc/35/80/62/652358062.db2.gz ATQHAKSNDQEJJX-LBPRGKRZSA-N 1 0 299.317 2.446 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCc1ccns1 ZINC000883242193 652412307 /nfs/dbraw/zinc/41/23/07/652412307.db2.gz YSKORAYSIKOHEW-UHFFFAOYSA-N 1 0 264.350 2.190 20 10 CECDRO Oc1cccc(Cl)c1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132199587 652502857 /nfs/dbraw/zinc/50/28/57/652502857.db2.gz DRRBJWLSOBPCKN-MNOVXSKESA-N 1 0 266.772 2.372 20 10 CECDRO CCOc1cccc(CN(C)CC[NH+]2CCCC2)c1O ZINC000133914838 652743920 /nfs/dbraw/zinc/74/39/20/652743920.db2.gz ZOATXPMTQDUHMF-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000884205420 652751105 /nfs/dbraw/zinc/75/11/05/652751105.db2.gz WDFXRSIGYCVVOT-AWEZNQCLSA-N 1 0 295.402 2.142 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1 ZINC000135727894 652983830 /nfs/dbraw/zinc/98/38/30/652983830.db2.gz YEHAORHBWXRVSS-NSHDSACASA-N 1 0 294.395 2.356 20 10 CECDRO C[C@]1([NH3+])CCN(Cc2ccc3ccccc3c2O)C1 ZINC001204790471 806002116 /nfs/dbraw/zinc/00/21/16/806002116.db2.gz JUIGZXMTVQGPJN-INIZCTEOSA-N 1 0 256.349 2.469 20 10 CECDRO C[C@H]1C[C@H]([N@@H+]2CCCc3cc(O)c(O)cc3C2)CCO1 ZINC001168134595 806264827 /nfs/dbraw/zinc/26/48/27/806264827.db2.gz BKVBTLJZFXWMMV-SMDDNHRTSA-N 1 0 277.364 2.414 20 10 CECDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(C(N)=O)cc2)c1 ZINC001117590803 814932016 /nfs/dbraw/zinc/93/20/16/814932016.db2.gz BRLRKVQGVOFNGS-UHFFFAOYSA-N 1 0 284.359 2.432 20 10 CECDRO COC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2C ZINC000300419466 806695054 /nfs/dbraw/zinc/69/50/54/806695054.db2.gz XBRIDKZAXZKGGY-YNEHKIRRSA-N 1 0 279.380 2.236 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(O)c1 ZINC000093820764 806713409 /nfs/dbraw/zinc/71/34/09/806713409.db2.gz CDWAFWLMENSNNN-OAHLLOKOSA-N 1 0 263.337 2.013 20 10 CECDRO CCOc1cccc(C[NH2+]CC2(CO)CCCC2)c1O ZINC000160079521 806853925 /nfs/dbraw/zinc/85/39/25/806853925.db2.gz PZGQICIOZLEFOR-UHFFFAOYSA-N 1 0 279.380 2.433 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H](C)C2CC2)cc1C ZINC001125343608 802601200 /nfs/dbraw/zinc/60/12/00/802601200.db2.gz WTNPOEWRVVKLCC-CYBMUJFWSA-N 1 0 290.407 2.256 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2ccncc2O)cc1 ZINC001140280862 802790318 /nfs/dbraw/zinc/79/03/18/802790318.db2.gz QRSMRHUQAICJHP-UHFFFAOYSA-N 1 0 271.364 2.485 20 10 CECDRO CCS(=O)(=O)C1(C[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000693488534 802978444 /nfs/dbraw/zinc/97/84/44/802978444.db2.gz FVLOLRGOTIYURG-UHFFFAOYSA-N 1 0 297.420 2.061 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1O ZINC000724604142 803193201 /nfs/dbraw/zinc/19/32/01/803193201.db2.gz NCWQKSDOBKIQFW-FIRUKDTASA-N 1 0 277.364 2.237 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000724604414 803194211 /nfs/dbraw/zinc/19/42/11/803194211.db2.gz PQRUIKKWDGNGMO-JXFSHQFZSA-N 1 0 277.364 2.155 20 10 CECDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCC3(C2)OCCO3)c1 ZINC001140622935 803245427 /nfs/dbraw/zinc/24/54/27/803245427.db2.gz FOGOSPQQFZWCJY-AWEZNQCLSA-N 1 0 277.364 2.428 20 10 CECDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(O)c(C)c2O)C1 ZINC001140747433 803513567 /nfs/dbraw/zinc/51/35/67/803513567.db2.gz CSRJMEJXZSFBIY-CQSZACIVSA-N 1 0 278.396 2.322 20 10 CECDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141156966 803757937 /nfs/dbraw/zinc/75/79/37/803757937.db2.gz ZJBYMFIHAHVIPQ-LBPRGKRZSA-N 1 0 251.326 2.099 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cc(O)ccc2O)CC[C@@]1(C)O ZINC001141155987 803758232 /nfs/dbraw/zinc/75/82/32/803758232.db2.gz CVPKSXUIBNDULS-XHDPSFHLSA-N 1 0 265.353 2.081 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001118269364 814999288 /nfs/dbraw/zinc/99/92/88/814999288.db2.gz DLKNCTRPRPKJMR-SUHUHFCYSA-N 1 0 292.379 2.096 20 10 CECDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000722295800 804232859 /nfs/dbraw/zinc/23/28/59/804232859.db2.gz VJXJLDQWGZKZMQ-PBHICJAKSA-N 1 0 273.424 2.327 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)c1 ZINC000722334334 804304795 /nfs/dbraw/zinc/30/47/95/804304795.db2.gz SSPSWAOLPCBCSK-HOCLYGCPSA-N 1 0 277.364 2.448 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c1 ZINC000722351383 804342174 /nfs/dbraw/zinc/34/21/74/804342174.db2.gz CPYJZFKOAWAFOO-INIZCTEOSA-N 1 0 279.380 2.374 20 10 CECDRO COc1cccc(C[NH2+]CC2SCCS2)c1O ZINC000692903302 804421926 /nfs/dbraw/zinc/42/19/26/804421926.db2.gz AUFURIMGPOIXIV-UHFFFAOYSA-N 1 0 271.407 2.297 20 10 CECDRO C[NH+](C)C1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139685831 804456243 /nfs/dbraw/zinc/45/62/43/804456243.db2.gz YLFIXYROELHQAB-UHFFFAOYSA-N 1 0 270.323 2.196 20 10 CECDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[C@H]1F ZINC001118583808 815026596 /nfs/dbraw/zinc/02/65/96/815026596.db2.gz LYIZXADSFRSIII-HZPDHXFCSA-N 1 0 277.387 2.158 20 10 CECDRO Oc1cc(C[N@@H+]2CCC[C@@H](F)CC2)cc(O)c1O ZINC001233010312 807356545 /nfs/dbraw/zinc/35/65/45/807356545.db2.gz OHDYVAJTIOFRPD-SNVBAGLBSA-N 1 0 255.289 2.127 20 10 CECDRO [NH3+][C@H]1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC001205094679 807581327 /nfs/dbraw/zinc/58/13/27/807581327.db2.gz NXLCMUWNVLGKJL-LBPRGKRZSA-N 1 0 299.212 2.468 20 10 CECDRO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccc(F)cc1[O-] ZINC000716662812 815139064 /nfs/dbraw/zinc/13/90/64/815139064.db2.gz ROOKOUDWUJGRDA-XCBNKYQSSA-N 1 0 263.259 2.198 20 10 CECDRO Cc1cccc(O)c1CN1CCCC[C@]12CC[NH2+]C2 ZINC001235130332 807779757 /nfs/dbraw/zinc/77/97/57/807779757.db2.gz STMGFYUTYZSAQP-MRXNPFEDSA-N 1 0 260.381 2.419 20 10 CECDRO CN1CC[C@]2(CC[N@H+](Cc3cc(Cl)ccc3O)C2)C1=O ZINC001272636963 807838316 /nfs/dbraw/zinc/83/83/16/807838316.db2.gz HYICZPFSIVMEBK-OAHLLOKOSA-N 1 0 294.782 2.100 20 10 CECDRO [NH3+][C@H]1CCN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236175046 808006380 /nfs/dbraw/zinc/00/63/80/808006380.db2.gz YIDCQLRPEWXBPL-QMMMGPOBSA-N 1 0 261.152 2.232 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc(C)c2O)C1 ZINC001238057157 808291280 /nfs/dbraw/zinc/29/12/80/808291280.db2.gz IZYUNCBNVVXNMO-NSHDSACASA-N 1 0 281.327 2.225 20 10 CECDRO Cc1cc(F)cc(C[N@H+]2C[C@H](CO)CC[C@@H]2C)c1O ZINC001238056163 808291843 /nfs/dbraw/zinc/29/18/43/808291843.db2.gz FATOEBGZGVHXPG-NWDGAFQWSA-N 1 0 267.344 2.433 20 10 CECDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000690321461 809209936 /nfs/dbraw/zinc/20/99/36/809209936.db2.gz GLAOZYCTKOBYBG-ZDUSSCGKSA-N 1 0 266.360 2.494 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)c1O ZINC000701567181 809443017 /nfs/dbraw/zinc/44/30/17/809443017.db2.gz HNGBHNYMFBPJRZ-YPMHNXCESA-N 1 0 265.353 2.448 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC000701727108 809457106 /nfs/dbraw/zinc/45/71/06/809457106.db2.gz AXUCZZYOYBDHSE-CYBMUJFWSA-N 1 0 265.353 2.400 20 10 CECDRO C[N@@H+]1C[C@@H]2CN(Cc3cc(Cl)ccc3O)C[C@]2(C)C1 ZINC000702415053 809551267 /nfs/dbraw/zinc/55/12/67/809551267.db2.gz NNVUSNKKVFXKDC-DOMZBBRYSA-N 1 0 280.799 2.429 20 10 CECDRO CCC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)OCC ZINC000705343710 809778772 /nfs/dbraw/zinc/77/87/72/809778772.db2.gz NGVRTSUEHFEREL-LBPRGKRZSA-N 1 0 281.352 2.416 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CC[C@H]2SC)c1O ZINC000706475477 809826023 /nfs/dbraw/zinc/82/60/23/809826023.db2.gz HJUUXGLFDKNTLI-ZYHUDNBSSA-N 1 0 253.367 2.384 20 10 CECDRO C[C@@H]1COC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706805243 809854860 /nfs/dbraw/zinc/85/48/60/809854860.db2.gz TXSTZJIDCJATPI-LDYMZIIASA-N 1 0 286.169 2.279 20 10 CECDRO Cn1nccc1C[NH2+]Cc1c(O)cccc1Br ZINC000706809338 809855361 /nfs/dbraw/zinc/85/53/61/809855361.db2.gz QFHQBJSKOMXZMT-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)c1O ZINC000709028501 809939527 /nfs/dbraw/zinc/93/95/27/809939527.db2.gz OIZGIHOYQONLGS-CQSZACIVSA-N 1 0 265.353 2.258 20 10 CECDRO CC[C@H](C)OCC[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172323153 815372097 /nfs/dbraw/zinc/37/20/97/815372097.db2.gz GISUKJWJTCWNNO-NEPJUHHUSA-N 1 0 295.379 2.464 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCCO2)c(O)c1 ZINC000379242020 810689228 /nfs/dbraw/zinc/68/92/28/810689228.db2.gz XNNLMMFHLWSAPJ-ABAIWWIYSA-N 1 0 265.353 2.448 20 10 CECDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1c(O)cccc1F ZINC001122258116 815397336 /nfs/dbraw/zinc/39/73/36/815397336.db2.gz LMTJJQNZQOJFPQ-AWEZNQCLSA-N 1 0 294.370 2.445 20 10 CECDRO CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC001169580917 811589064 /nfs/dbraw/zinc/58/90/64/811589064.db2.gz ZZWPPQWLTCLDSK-DGCLKSJQSA-N 1 0 262.353 2.054 20 10 CECDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(Br)cc1O ZINC000691452189 811858825 /nfs/dbraw/zinc/85/88/25/811858825.db2.gz DGUZUMSQIRHNCJ-MRVPVSSYSA-N 1 0 288.185 2.404 20 10 CECDRO Oc1ccc(CNc2cccc(N3CC[NH2+]CC3)c2)cc1O ZINC001169996924 811876699 /nfs/dbraw/zinc/87/66/99/811876699.db2.gz MPXVNYONUJYKOP-UHFFFAOYSA-N 1 0 299.374 2.120 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+]CCc2ccc(O)c(O)c2)CCO1 ZINC001170171679 812334734 /nfs/dbraw/zinc/33/47/34/812334734.db2.gz YXPZLHGOONKMEN-CHWSQXEVSA-N 1 0 265.353 2.188 20 10 CECDRO CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001054307163 812580928 /nfs/dbraw/zinc/58/09/28/812580928.db2.gz ICUCZZQKQGCKAY-HIFRSBDPSA-N 1 0 290.407 2.350 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1O ZINC000384978271 813128080 /nfs/dbraw/zinc/12/80/80/813128080.db2.gz UHNODNVPYPEYIF-GMXVVIOVSA-N 1 0 265.353 2.446 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])CC1CC1 ZINC000385800862 813145191 /nfs/dbraw/zinc/14/51/91/813145191.db2.gz SBJZMQFDWKNBON-MRXNPFEDSA-N 1 0 289.423 2.229 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@@H](C)O ZINC000386742857 813188956 /nfs/dbraw/zinc/18/89/56/813188956.db2.gz YVRSUHPZBSMSIU-LDYMZIIASA-N 1 0 273.760 2.303 20 10 CECDRO CO[C@@H]([C@H](C)[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000388278595 813234945 /nfs/dbraw/zinc/23/49/45/813234945.db2.gz KNCIOTGZYAIBOL-XPTSAGLGSA-N 1 0 253.317 2.434 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c(O)c1 ZINC000389071619 813246959 /nfs/dbraw/zinc/24/69/59/813246959.db2.gz MINGBMOHPYURNX-WCQYABFASA-N 1 0 265.353 2.306 20 10 CECDRO CCC1([NH2+]Cc2cc(OC)ccc2O)CCOCC1 ZINC000389454013 813251103 /nfs/dbraw/zinc/25/11/03/813251103.db2.gz JFWWKNWWJXYXMI-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO CC[C@H]([NH2+]CCc1cnccn1)c1ccccc1O ZINC000390177139 813262100 /nfs/dbraw/zinc/26/21/00/813262100.db2.gz GYRHDHWVCQFODS-AWEZNQCLSA-N 1 0 257.337 2.466 20 10 CECDRO COc1cccc(C[NH2+]Cc2ccnc(C)c2)c1O ZINC000391154350 813276105 /nfs/dbraw/zinc/27/61/05/813276105.db2.gz YHEGUDCKLPFJKL-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO C[C@@H]([NH2+]CCN1CC=CCC1)c1cc(F)ccc1O ZINC000392256322 813299139 /nfs/dbraw/zinc/29/91/39/813299139.db2.gz YOROFFZPRRLWNB-GFCCVEGCSA-N 1 0 264.344 2.444 20 10 CECDRO CCC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)COC1 ZINC000393969913 813333883 /nfs/dbraw/zinc/33/38/83/813333883.db2.gz ZBAMQDHLBVXZJI-UHFFFAOYSA-N 1 0 290.407 2.039 20 10 CECDRO CC[C@@H](C)[N@H+](CCO)Cc1cc(F)cc(C(C)=O)c1O ZINC000394400216 813395252 /nfs/dbraw/zinc/39/52/52/813395252.db2.gz KSZFGNORFXAAIS-SNVBAGLBSA-N 1 0 283.343 2.327 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@H](C)O ZINC000395246912 813496187 /nfs/dbraw/zinc/49/61/87/813496187.db2.gz ARFWSYLZKTVYAV-KWBADKCTSA-N 1 0 253.342 2.211 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(N(C)C)CC2)c1 ZINC000397972215 813649956 /nfs/dbraw/zinc/64/99/56/813649956.db2.gz IERKBQDJMKYSBF-NSHDSACASA-N 1 0 264.369 2.146 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c1O ZINC000398072106 813654778 /nfs/dbraw/zinc/65/47/78/813654778.db2.gz AHCCKYQYRVNMKM-AAEUAGOBSA-N 1 0 265.353 2.448 20 10 CECDRO C[C@H](CCCCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000398399333 813672483 /nfs/dbraw/zinc/67/24/83/813672483.db2.gz ALEZIBXTNFCETN-OAHLLOKOSA-N 1 0 292.423 2.164 20 10 CECDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000398595962 813677229 /nfs/dbraw/zinc/67/72/29/813677229.db2.gz WZYNMSXOJLENPB-HNNXBMFYSA-N 1 0 250.386 2.249 20 10 CECDRO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000825006109 813809893 /nfs/dbraw/zinc/80/98/93/813809893.db2.gz YDRYLIJAONSXJA-NSHDSACASA-N 1 0 275.352 2.468 20 10 CECDRO COCCC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509295 814097549 /nfs/dbraw/zinc/09/75/49/814097549.db2.gz SDJBQRFDTLAEGQ-UHFFFAOYSA-N 1 0 281.352 2.052 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000712650258 814759506 /nfs/dbraw/zinc/75/95/06/814759506.db2.gz GQICRRYYZGLQNH-CQSZACIVSA-N 1 0 277.364 2.068 20 10 CECDRO OC1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001116439157 814853957 /nfs/dbraw/zinc/85/39/57/814853957.db2.gz KPIJLIIFFZXVST-UHFFFAOYSA-N 1 0 260.381 2.244 20 10 CECDRO C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccccc1O ZINC000714383945 814903963 /nfs/dbraw/zinc/90/39/63/814903963.db2.gz XBBBYUWWSPJBDU-RYUDHWBXSA-N 1 0 283.393 2.010 20 10 CECDRO CCSC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001173288914 815672312 /nfs/dbraw/zinc/67/23/12/815672312.db2.gz QTODYTZVAOODSK-SECBINFHSA-N 1 0 271.382 2.077 20 10 CECDRO Cc1c(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c2ccccc2n1C ZINC001138260204 815756473 /nfs/dbraw/zinc/75/64/73/815756473.db2.gz YRIQGSDWISLUAQ-KBPBESRZSA-N 1 0 269.392 2.375 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](n2ncnn2)C1)c1ccccc1O ZINC001173755014 815810793 /nfs/dbraw/zinc/81/07/93/815810793.db2.gz FWZNBLHHGMSPSS-FRRDWIJNSA-N 1 0 287.367 2.213 20 10 CECDRO FC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001138501013 815815706 /nfs/dbraw/zinc/81/57/06/815815706.db2.gz JKWVBYTVPWVPJS-MRXNPFEDSA-N 1 0 278.371 2.457 20 10 CECDRO CC1(C[NH3+])CN(Cc2cccc(C(F)(F)F)c2O)C1 ZINC001206729299 815917077 /nfs/dbraw/zinc/91/70/77/815917077.db2.gz BCMBLMWWENQXCC-UHFFFAOYSA-N 1 0 274.286 2.192 20 10 CECDRO CC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139673365 816075962 /nfs/dbraw/zinc/07/59/62/816075962.db2.gz FPAFCFIJOHWPPS-OAHLLOKOSA-N 1 0 260.381 2.472 20 10 CECDRO O=C1CCCC2(CC[NH+](Cc3cc(F)ccc3O)CC2)N1 ZINC001140054077 816177783 /nfs/dbraw/zinc/17/77/83/816177783.db2.gz JESMKFPLYSQZQO-UHFFFAOYSA-N 1 0 292.354 2.166 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2CCC3(CN(C)C3)C2)c1O ZINC001140184408 816206173 /nfs/dbraw/zinc/20/61/73/816206173.db2.gz SGSWLBUGZKVMKR-UHFFFAOYSA-N 1 0 260.381 2.147 20 10 CECDRO COC(=O)C[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140185006 816207509 /nfs/dbraw/zinc/20/75/09/816207509.db2.gz NYXJGIVJYBUAPD-CYBMUJFWSA-N 1 0 277.364 2.394 20 10 CECDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140341573 816238548 /nfs/dbraw/zinc/23/85/48/816238548.db2.gz WVJVHMFFCXMHQB-ZJUUUORDSA-N 1 0 255.745 2.391 20 10 CECDRO OC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)CCC1(F)F ZINC001140461956 816260413 /nfs/dbraw/zinc/26/04/13/816260413.db2.gz ZZURHMBQJYTWMF-JTQLQIEISA-N 1 0 291.725 2.495 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@](F)(CO)CC2)c1O ZINC001140744298 816339640 /nfs/dbraw/zinc/33/96/40/816339640.db2.gz SLSMXJJRZVVQRA-OAHLLOKOSA-N 1 0 283.343 2.093 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c1O ZINC001140743979 816340148 /nfs/dbraw/zinc/34/01/48/816340148.db2.gz HENWHECURFEDHQ-INIZCTEOSA-N 1 0 279.380 2.389 20 10 CECDRO Cc1c(O)ccc(CN2CCC(=O)C(C)(C)C2)c1O ZINC001140747417 816340721 /nfs/dbraw/zinc/34/07/21/816340721.db2.gz CCYGIWWPNQMOSG-UHFFFAOYSA-N 1 0 263.337 2.207 20 10 CECDRO Cc1nn(C)c(C)c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001203063419 816344522 /nfs/dbraw/zinc/34/45/22/816344522.db2.gz CIYYRJBDFWFBMX-UHFFFAOYSA-N 1 0 271.364 2.301 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c(O)c1 ZINC001140850772 816383647 /nfs/dbraw/zinc/38/36/47/816383647.db2.gz UCHGAZZRBFDSML-HIFRSBDPSA-N 1 0 292.423 2.441 20 10 CECDRO Cc1ccc(CN2CC[NH+](CC(C)C)CC2)c(O)c1 ZINC001140952579 816424196 /nfs/dbraw/zinc/42/41/96/816424196.db2.gz XYCHPDOSAIDSEX-UHFFFAOYSA-N 1 0 262.397 2.474 20 10 CECDRO COC[C@@H]1CCCC[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141031476 816450525 /nfs/dbraw/zinc/45/05/25/816450525.db2.gz GOKOQHIRUJNATP-LBPRGKRZSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c(OC)c1 ZINC001141032373 816453156 /nfs/dbraw/zinc/45/31/56/816453156.db2.gz ZVOVOZYTMLOUHA-RISCZKNCSA-N 1 0 295.379 2.002 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CC[C@]1(C)O ZINC001141139778 816484414 /nfs/dbraw/zinc/48/44/14/816484414.db2.gz BITUSLKJDJETAA-GUYCJALGSA-N 1 0 290.407 2.108 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)CC[C@@]1(C)O ZINC001141139779 816484480 /nfs/dbraw/zinc/48/44/80/816484480.db2.gz BITUSLKJDJETAA-SUMWQHHRSA-N 1 0 290.407 2.108 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CC[C@H]4OCC[C@@H]4C3)ccc21 ZINC001141144793 816484932 /nfs/dbraw/zinc/48/49/32/816484932.db2.gz KRVUFEWVKDLWIS-GDBMZVCRSA-N 1 0 288.391 2.126 20 10 CECDRO CC[C@@]12C[C@@H](CO1)N(Cc1ccc3c(c1)OCCN3C)C2 ZINC001141144553 816484965 /nfs/dbraw/zinc/48/49/65/816484965.db2.gz GQOMHPFUAUNVEW-YOEHRIQHSA-N 1 0 288.391 2.269 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC001141158645 816490093 /nfs/dbraw/zinc/49/00/93/816490093.db2.gz IFYFPHCZOGOJBL-GFCCVEGCSA-N 1 0 270.332 2.482 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](COCC3CC3)C2)c1 ZINC001141159252 816490601 /nfs/dbraw/zinc/49/06/01/816490601.db2.gz AZXRERWJOPJDJC-CYBMUJFWSA-N 1 0 277.364 2.346 20 10 CECDRO Cc1cccc(N2CC[NH+](Cc3cc(O)ccc3O)CC2)n1 ZINC001141156068 816490773 /nfs/dbraw/zinc/49/07/73/816490773.db2.gz PGGSLWKPUVYHAH-UHFFFAOYSA-N 1 0 299.374 2.123 20 10 CECDRO Oc1ccc(O)c(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC001141158898 816490916 /nfs/dbraw/zinc/49/09/16/816490916.db2.gz QSLWHSMECWQYNJ-UHFFFAOYSA-N 1 0 276.380 2.158 20 10 CECDRO Oc1ccc(O)c(C[NH+]2CCC3(C[C@@H](F)CO3)CC2)c1 ZINC001141161554 816492024 /nfs/dbraw/zinc/49/20/24/816492024.db2.gz VJXCJHVRNOGABX-GFCCVEGCSA-N 1 0 281.327 2.191 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2cnc(C)o2)c1 ZINC000839170968 816564524 /nfs/dbraw/zinc/56/45/24/816564524.db2.gz WIYYAYLJNRSTSU-UHFFFAOYSA-N 1 0 262.309 2.377 20 10 CECDRO CCN(CC)c1ccc(C[NH+]2CC(C)(CO)C2)cc1 ZINC000839145528 816564469 /nfs/dbraw/zinc/56/44/69/816564469.db2.gz MYNGUQFCZMCEQF-UHFFFAOYSA-N 1 0 262.397 2.347 20 10 CECDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001177911243 816642052 /nfs/dbraw/zinc/64/20/52/816642052.db2.gz HSEVLBDBSICZJV-CYBMUJFWSA-N 1 0 268.376 2.388 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)[C@H]2CCOC2)cc1 ZINC001178361083 816732641 /nfs/dbraw/zinc/73/26/41/816732641.db2.gz UFVGHTGKGQDSFU-DOTOQJQBSA-N 1 0 292.423 2.020 20 10 CECDRO C[NH2+]Cc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001179684585 816888144 /nfs/dbraw/zinc/88/81/44/816888144.db2.gz WNQFSJUVBDIPGE-WEVVVXLNSA-N 1 0 298.342 2.469 20 10 CECDRO OCCOCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000067697425 343741606 /nfs/dbraw/zinc/74/16/06/343741606.db2.gz JYYLMVFMBASJKY-UHFFFAOYSA-N 1 0 287.359 2.158 20 10 CECDRO COCCCN(C)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000185553828 344509499 /nfs/dbraw/zinc/50/94/99/344509499.db2.gz GQOJFIGGGHJSGP-CYBMUJFWSA-N 1 0 296.411 2.020 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000294114405 344693537 /nfs/dbraw/zinc/69/35/37/344693537.db2.gz SUSMCAPXALMXKS-ZDUSSCGKSA-N 1 0 265.353 2.138 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCCSC2)c1O ZINC000135702240 366468456 /nfs/dbraw/zinc/46/84/56/366468456.db2.gz OUVHIRJLMSLIPM-LLVKDONJSA-N 1 0 253.367 2.386 20 10 CECDRO Oc1cc2c(cc1C[NH+]1C[C@@H]3CCC[C@H]3C1)OCO2 ZINC000147937073 366577716 /nfs/dbraw/zinc/57/77/16/366577716.db2.gz VAXNJMZMWCSZGM-QWRGUYRKSA-N 1 0 261.321 2.353 20 10 CECDRO CC[C@](C)(O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000154533206 366777698 /nfs/dbraw/zinc/77/76/98/366777698.db2.gz PONLOGYCIRNNQI-KRWDZBQOSA-N 1 0 292.423 2.415 20 10 CECDRO CCOCCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000019962992 361570093 /nfs/dbraw/zinc/57/00/93/361570093.db2.gz FROAUMJTDIVXHR-LLVKDONJSA-N 1 0 253.342 2.478 20 10 CECDRO CCOc1cccc(C[N@H+](C)C[C@@H](C)C(=O)OC)c1O ZINC000091985867 364073756 /nfs/dbraw/zinc/07/37/56/364073756.db2.gz ZSXKNXPQBUJVBX-LLVKDONJSA-N 1 0 281.352 2.032 20 10 CECDRO COc1cccc(C[NH+]2CCC(n3cccn3)CC2)c1O ZINC000092618091 364088217 /nfs/dbraw/zinc/08/82/17/364088217.db2.gz LSROKBSNJLQMHE-UHFFFAOYSA-N 1 0 287.363 2.434 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000093819883 364230200 /nfs/dbraw/zinc/23/02/00/364230200.db2.gz GMRWFENRWWELMH-INIZCTEOSA-N 1 0 260.381 2.365 20 10 CECDRO CN1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000112142987 364775491 /nfs/dbraw/zinc/77/54/91/364775491.db2.gz SSBVHKUNQHMOSE-UHFFFAOYSA-N 1 0 273.424 2.424 20 10 CECDRO COc1ccc(N2CCC([NH2+]CC[C@H](C)O)CC2)cc1 ZINC000119043614 365205197 /nfs/dbraw/zinc/20/51/97/365205197.db2.gz NGAQUZYJZVGBKW-ZDUSSCGKSA-N 1 0 278.396 2.025 20 10 CECDRO Cc1cccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1O ZINC000245870136 370882118 /nfs/dbraw/zinc/88/21/18/370882118.db2.gz RHFWDEYAKFTKBH-KGLIPLIRSA-N 1 0 279.405 2.407 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000180423787 368381969 /nfs/dbraw/zinc/38/19/69/368381969.db2.gz VWSSZXSXLHNZPL-JSGCOSHPSA-N 1 0 278.396 2.315 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(C)c2O)C[C@H]1C ZINC000188112890 369298461 /nfs/dbraw/zinc/29/84/61/369298461.db2.gz ZSOKAMGKIZTMFK-OCCSQVGLSA-N 1 0 277.364 2.332 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)[C@H](C)OC)c1O ZINC000189119775 369462238 /nfs/dbraw/zinc/46/22/38/369462238.db2.gz MCSIHBVNVZINBQ-QWRGUYRKSA-N 1 0 253.342 2.304 20 10 CECDRO C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H](C)[N@H+]1C ZINC000221292538 370240022 /nfs/dbraw/zinc/24/00/22/370240022.db2.gz SVQHQSFDVMEZND-PHIMTYICSA-N 1 0 252.333 2.056 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(F)ccc1O ZINC000230659315 370461897 /nfs/dbraw/zinc/46/18/97/370461897.db2.gz IOPOSMAQGAYLOE-LDWIPMOCSA-N 1 0 267.222 2.105 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000267471790 372074085 /nfs/dbraw/zinc/07/40/85/372074085.db2.gz YPFOLKREBCZDEI-JTQLQIEISA-N 1 0 291.326 2.109 20 10 CECDRO COC[C@@H](C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000268803286 372229445 /nfs/dbraw/zinc/22/94/45/372229445.db2.gz BRUBBOKPFVUEPJ-CQSZACIVSA-N 1 0 292.423 2.020 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccccc1O ZINC000364354473 372736096 /nfs/dbraw/zinc/73/60/96/372736096.db2.gz OXZZLEKXNAPWTO-NEBZKDRISA-N 1 0 288.391 2.442 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1 ZINC000364650371 372784267 /nfs/dbraw/zinc/78/42/67/372784267.db2.gz HBULFHJKBNYVNT-QGZVFWFLSA-N 1 0 288.391 2.145 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)c1 ZINC000365444850 372862144 /nfs/dbraw/zinc/86/21/44/372862144.db2.gz AQNINEDDQNWKSG-SGTLLEGYSA-N 1 0 267.394 2.044 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CO)c1O ZINC000271700148 373197936 /nfs/dbraw/zinc/19/79/36/373197936.db2.gz CLTLXMONZAMGKQ-LBPRGKRZSA-N 1 0 255.745 2.311 20 10 CECDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)[C@@H](O)C(F)(F)F ZINC000271767590 373201640 /nfs/dbraw/zinc/20/16/40/373201640.db2.gz ATHKFBSDFUCPKD-CMPLNLGQSA-N 1 0 277.286 2.492 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)ccc1OC ZINC000368616993 373250566 /nfs/dbraw/zinc/25/05/66/373250566.db2.gz VPKVJAFTDQFZEL-PHZGNYQRSA-N 1 0 291.391 2.214 20 10 CECDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC000272253530 373388396 /nfs/dbraw/zinc/38/83/96/373388396.db2.gz IRWFJPVPEHNUMP-CYBMUJFWSA-N 1 0 293.338 2.306 20 10 CECDRO C[NH+]1CCC(C)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000272499721 373518623 /nfs/dbraw/zinc/51/86/23/373518623.db2.gz GMLQQLDLIDVDPJ-UHFFFAOYSA-N 1 0 293.367 2.122 20 10 CECDRO COC(=O)C1=C(C)O[C@H](C[N@H+](C)Cc2ccccc2O)C1 ZINC000272563472 373552847 /nfs/dbraw/zinc/55/28/47/373552847.db2.gz PXOOLEUNJZMEFK-ZDUSSCGKSA-N 1 0 291.347 2.060 20 10 CECDRO CCOc1cccc(C[N@H+](C)CCc2cnccn2)c1O ZINC000272829411 373672372 /nfs/dbraw/zinc/67/23/72/373672372.db2.gz PTNMIWVEWJDTPC-UHFFFAOYSA-N 1 0 287.363 2.255 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c(O)c1C ZINC000273622776 373768315 /nfs/dbraw/zinc/76/83/15/373768315.db2.gz ZPHCFNWUSCOPDM-OLZOCXBDSA-N 1 0 276.380 2.280 20 10 CECDRO Cc1cccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c1O ZINC000371425126 373877779 /nfs/dbraw/zinc/87/77/79/373877779.db2.gz RCQSJWPMAGRXDX-CFVMTHIKSA-N 1 0 288.391 2.319 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CC2([S@](C)=O)CC2)c1O ZINC000281718703 375393594 /nfs/dbraw/zinc/39/35/94/375393594.db2.gz IIUBXBXWRUKTLY-SFHVURJKSA-N 1 0 287.812 2.355 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)c(O)c1 ZINC000282187432 375423327 /nfs/dbraw/zinc/42/33/27/375423327.db2.gz GAUHKKWQJCDNPA-ZMZPIMSZSA-N 1 0 267.394 2.262 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CSC[C@@H]2C)c1O ZINC000285375249 375839009 /nfs/dbraw/zinc/83/90/09/375839009.db2.gz CMKCZLQYFQKBHU-GXSJLCMTSA-N 1 0 253.367 2.242 20 10 CECDRO C[C@H]([NH2+]CCN(C)C)c1cc2c(cc1O)CCCC2 ZINC000287049830 376138091 /nfs/dbraw/zinc/13/80/91/376138091.db2.gz MVEKDQBMSXEFPC-LBPRGKRZSA-N 1 0 262.397 2.483 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)OCCO)c(O)c1 ZINC000287367624 376216693 /nfs/dbraw/zinc/21/66/93/376216693.db2.gz ONBXVWKGXCJKGE-GFCCVEGCSA-N 1 0 267.369 2.139 20 10 CECDRO CCOc1cccc(C[NH2+]CC2=CCCOC2)c1O ZINC000288514835 376378716 /nfs/dbraw/zinc/37/87/16/376378716.db2.gz TYIVXNZGZZYPLK-UHFFFAOYSA-N 1 0 263.337 2.227 20 10 CECDRO C[N@H+](Cc1c(O)cccc1Cl)[C@@H]1CCC[C@H]1O ZINC000289806217 376508766 /nfs/dbraw/zinc/50/87/66/376508766.db2.gz SPSWUJVOUBUPIZ-DGCLKSJQSA-N 1 0 255.745 2.391 20 10 CECDRO COCCOCC[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293641220 377671625 /nfs/dbraw/zinc/67/16/25/377671625.db2.gz RSGXMBHWVPNQRA-UHFFFAOYSA-N 1 0 280.412 2.156 20 10 CECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(F)ccc1O ZINC000293798661 377763396 /nfs/dbraw/zinc/76/33/96/377763396.db2.gz DCALDHUNJXIHOU-NSHDSACASA-N 1 0 282.359 2.173 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1CF)OCO2 ZINC000294056457 377889559 /nfs/dbraw/zinc/88/95/59/377889559.db2.gz PTRGRKCQULCVFG-SNVBAGLBSA-N 1 0 253.273 2.055 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)ccc1N(C)C ZINC000294773587 378018843 /nfs/dbraw/zinc/01/88/43/378018843.db2.gz ZJSFYRZVJISFHY-ZFWWWQNUSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(C[N@H+](C)CC2(O)CCOCC2)ccc1N(C)C ZINC000294427695 377987830 /nfs/dbraw/zinc/98/78/30/377987830.db2.gz DTSWDOFDYGXIMF-UHFFFAOYSA-N 1 0 292.423 2.034 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2CC[C@@H](CO)C2)ccc1OC ZINC000295132810 378043733 /nfs/dbraw/zinc/04/37/33/378043733.db2.gz YJEUNRHDTYXNGY-ZBFHGGJFSA-N 1 0 293.407 2.482 20 10 CECDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000295142362 378044742 /nfs/dbraw/zinc/04/47/42/378044742.db2.gz IWNDVABVQXIMKT-ZDUSSCGKSA-N 1 0 289.423 2.073 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCN(C3CC3)C[C@H](C)C2)c1 ZINC000296082216 378412552 /nfs/dbraw/zinc/41/25/52/378412552.db2.gz QPRHJGATHHYWFS-CYBMUJFWSA-N 1 0 290.407 2.317 20 10 CECDRO C[C@H]([NH2+]C[C@H]1COCCN1)c1ccc2ccccc2c1O ZINC000530221799 380197298 /nfs/dbraw/zinc/19/72/98/380197298.db2.gz DJTSRTULJGBMSG-JSGCOSHPSA-N 1 0 286.375 2.184 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1O ZINC000364445104 262241312 /nfs/dbraw/zinc/24/13/12/262241312.db2.gz DFVNGGBDUORXOW-GFCCVEGCSA-N 1 0 283.755 2.011 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+](C)C[C@H]2CCCO2)c1O ZINC000048948792 394539566 /nfs/dbraw/zinc/53/95/66/394539566.db2.gz CRMYWSYTPMZNBC-CYBMUJFWSA-N 1 0 281.327 2.345 20 10 CECDRO CN(C)c1ccc(CN2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000092938207 394663556 /nfs/dbraw/zinc/66/35/56/394663556.db2.gz GPFQEWMIPGUVPV-MRXNPFEDSA-N 1 0 261.413 2.279 20 10 CECDRO C[C@H](O)CC[N@H+](C)Cc1cc(Br)ccc1O ZINC000093481039 394667306 /nfs/dbraw/zinc/66/73/06/394667306.db2.gz UZPBSELSAHZXSI-VIFPVBQESA-N 1 0 288.185 2.357 20 10 CECDRO CC[C@H](C(=O)NCCc1ccc(N)cc1)[NH+](CC)CC ZINC000269154470 394713199 /nfs/dbraw/zinc/71/31/99/394713199.db2.gz ZWJJLWWAJRASJW-OAHLLOKOSA-N 1 0 277.412 2.048 20 10 CECDRO CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC000106460894 394724669 /nfs/dbraw/zinc/72/46/69/394724669.db2.gz JIIXIUHFSUGNSF-HNNXBMFYSA-N 1 0 295.402 2.094 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000368333215 394984318 /nfs/dbraw/zinc/98/43/18/394984318.db2.gz QEYCVGUGITYNTD-DZGCQCFKSA-N 1 0 290.407 2.214 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1O ZINC000135213480 394963601 /nfs/dbraw/zinc/96/36/01/394963601.db2.gz MFLDAFWLCXNSQP-DGCLKSJQSA-N 1 0 265.353 2.306 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)C)c(O)c1 ZINC000289820344 395088453 /nfs/dbraw/zinc/08/84/53/395088453.db2.gz AEMZYGKRXVXRFL-GFCCVEGCSA-N 1 0 285.409 2.174 20 10 CECDRO Oc1ccc(Br)cc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000372369567 395040753 /nfs/dbraw/zinc/04/07/53/395040753.db2.gz UXBVKRDKPRRPGQ-LBPRGKRZSA-N 1 0 298.180 2.111 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CCOC(C)(C)C2)cc1C ZINC000174353113 395123103 /nfs/dbraw/zinc/12/31/03/395123103.db2.gz BFCOZDCPQIBBOT-UHFFFAOYSA-N 1 0 292.423 2.209 20 10 CECDRO CC(C)[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCOC1 ZINC000291194979 395123159 /nfs/dbraw/zinc/12/31/59/395123159.db2.gz UHKUAHWOLFEOIN-LBPRGKRZSA-N 1 0 279.336 2.120 20 10 CECDRO CC(C)Cn1ncnc1CN(C)Cc1ccccc1O ZINC000182873096 395250441 /nfs/dbraw/zinc/25/04/41/395250441.db2.gz CEGOTAYHGADPRC-UHFFFAOYSA-N 1 0 274.368 2.272 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000179373423 395191840 /nfs/dbraw/zinc/19/18/40/395191840.db2.gz LYZPRICEWZHJSI-ZDUSSCGKSA-N 1 0 277.364 2.286 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000179400753 395193690 /nfs/dbraw/zinc/19/36/90/395193690.db2.gz QNCSQZFILJMLMQ-LBPRGKRZSA-N 1 0 265.353 2.402 20 10 CECDRO C[N@H+](Cc1ccccc1O)CC(C)(C)CN1CCOCC1 ZINC000179582343 395197217 /nfs/dbraw/zinc/19/72/17/395197217.db2.gz HJSXYRTUECFMNR-UHFFFAOYSA-N 1 0 292.423 2.182 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](O)CC2)c1O ZINC000294132918 395267250 /nfs/dbraw/zinc/26/72/50/395267250.db2.gz UPNHAGDTXXOAHJ-LBPRGKRZSA-N 1 0 285.771 2.401 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCOCC2)c(O)c1 ZINC000020142025 171028289 /nfs/dbraw/zinc/02/82/89/171028289.db2.gz OJZYIYLJIPEKDG-AWEZNQCLSA-N 1 0 278.396 2.074 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC[C@H](O)COC)cc1 ZINC000090953006 260469562 /nfs/dbraw/zinc/46/95/62/260469562.db2.gz NBISAXNUFLYTCR-CJNGLKHVSA-N 1 0 280.412 2.191 20 10 CECDRO CC[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccccc1O ZINC000154982472 261096884 /nfs/dbraw/zinc/09/68/84/261096884.db2.gz MYFVIRLMQYLYCW-CYBMUJFWSA-N 1 0 288.347 2.456 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]C1CCOCC1 ZINC000163757278 261328478 /nfs/dbraw/zinc/32/84/78/261328478.db2.gz ZPAUMWPWVFQBLN-UHFFFAOYSA-N 1 0 286.169 2.423 20 10 CECDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000166350765 261388202 /nfs/dbraw/zinc/38/82/02/261388202.db2.gz YMIFNPKIKMPABI-HNNXBMFYSA-N 1 0 289.423 2.048 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](O)C2)c1O ZINC000184672324 262026057 /nfs/dbraw/zinc/02/60/57/262026057.db2.gz IECNEQCDMDGQGS-NSHDSACASA-N 1 0 271.744 2.011 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c1 ZINC000367437327 262027241 /nfs/dbraw/zinc/02/72/41/262027241.db2.gz INHNPHHGCOZIJU-KHIZAZIESA-N 1 0 288.391 2.408 20 10 CECDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)cc1O)CC2 ZINC000185317960 262050590 /nfs/dbraw/zinc/05/05/90/262050590.db2.gz PXPFIGTYLHINSK-DGCLKSJQSA-N 1 0 286.379 2.266 20 10 CECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000186531625 262097590 /nfs/dbraw/zinc/09/75/90/262097590.db2.gz XOATZADZMHVLLI-PCAWENJQSA-N 1 0 285.771 2.471 20 10 CECDRO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)c(O)c1O ZINC000272532765 263005840 /nfs/dbraw/zinc/00/58/40/263005840.db2.gz ATQCHSVPFVDJPN-UHFFFAOYSA-N 1 0 292.379 2.010 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccccc2O)CC2(CCOCC2)O1 ZINC000280402254 263061191 /nfs/dbraw/zinc/06/11/91/263061191.db2.gz HEUMYJSPFSKCBD-ZDUSSCGKSA-N 1 0 277.364 2.162 20 10 CECDRO COc1ccc(O)c(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000289876188 263112553 /nfs/dbraw/zinc/11/25/53/263112553.db2.gz VXVMYJCLFSCHNP-DZGCQCFKSA-N 1 0 290.407 2.459 20 10 CECDRO Cc1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)n(C)n1 ZINC000296581202 263193223 /nfs/dbraw/zinc/19/32/23/263193223.db2.gz WBCJTPPBICXDGC-CYBMUJFWSA-N 1 0 257.337 2.211 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1cc(F)ccc1O ZINC000367439290 267089491 /nfs/dbraw/zinc/08/94/91/267089491.db2.gz SUJSMJIWSNDOLB-LQBHMHGISA-N 1 0 292.354 2.239 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCNC(=O)C[C@H]1C ZINC000367668368 267107364 /nfs/dbraw/zinc/10/73/64/267107364.db2.gz HMWYWGOUOLXXLY-DGCLKSJQSA-N 1 0 262.353 2.054 20 10 CECDRO Cc1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)n1-c1ccccc1 ZINC000368160751 267149313 /nfs/dbraw/zinc/14/93/13/267149313.db2.gz HFGGIPVAXPENJT-FVQHAEBGSA-N 1 0 295.386 2.042 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cc(F)ccc1O ZINC000368328707 267163214 /nfs/dbraw/zinc/16/32/14/267163214.db2.gz AFKYMBMTESSQJD-XVMOGABASA-N 1 0 292.354 2.191 20 10 CECDRO c1cc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc2c1OCC2 ZINC000376803208 268019326 /nfs/dbraw/zinc/01/93/26/268019326.db2.gz FGMVHCBBTZATOR-OAHLLOKOSA-N 1 0 289.375 2.397 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1C ZINC000377113264 268048610 /nfs/dbraw/zinc/04/86/10/268048610.db2.gz NAKSGNJIXONTJX-RHSMWYFYSA-N 1 0 288.391 2.156 20 10 CECDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297820732 288125390 /nfs/dbraw/zinc/12/53/90/288125390.db2.gz RJVSAKZQPUDJRQ-UGFHNGPFSA-N 1 0 272.392 2.452 20 10 CECDRO CC(C)N1C[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000271554019 279550616 /nfs/dbraw/zinc/55/06/16/279550616.db2.gz WLEHMXLDYZPZQK-ZFWWWQNUSA-N 1 0 289.423 2.413 20 10 CECDRO C[NH+](C)C/C=C/C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000269093770 328189662 /nfs/dbraw/zinc/18/96/62/328189662.db2.gz XVFGTAFIPQDWKL-VMPITWQZSA-N 1 0 288.391 2.005 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000271807304 328197431 /nfs/dbraw/zinc/19/74/31/328197431.db2.gz KCABLXANDNRKNP-LBPRGKRZSA-N 1 0 273.785 2.003 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1C ZINC000377702058 329025635 /nfs/dbraw/zinc/02/56/35/329025635.db2.gz UAMHVTWTYRPWEO-NVXWUHKLSA-N 1 0 291.391 2.389 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1F ZINC000377787131 329029361 /nfs/dbraw/zinc/02/93/61/329029361.db2.gz SDGDJQJRBYHBRA-LBPRGKRZSA-N 1 0 288.370 2.262 20 10 CECDRO O=C([C@H]1CCCC[N@H+]1Cc1ccccc1O)N1CCCC1 ZINC000378379250 329048004 /nfs/dbraw/zinc/04/80/04/329048004.db2.gz SDIWKLRNQNTAGX-OAHLLOKOSA-N 1 0 288.391 2.369 20 10 CECDRO OC[C@@]1([NH2+]Cc2cc(F)ccc2O)CCc2ccccc21 ZINC000378489873 329052719 /nfs/dbraw/zinc/05/27/19/329052719.db2.gz CRHDMQJXFBNBFX-KRWDZBQOSA-N 1 0 287.334 2.455 20 10 CECDRO COC[C@H](C)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000378535379 329054399 /nfs/dbraw/zinc/05/43/99/329054399.db2.gz AJOIPUDLZMCBFN-ZDUSSCGKSA-N 1 0 260.381 2.487 20 10 CECDRO CCN(C)CC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228672781 329344367 /nfs/dbraw/zinc/34/43/67/329344367.db2.gz FAQWLJCQKKKCHV-UHFFFAOYSA-N 1 0 272.776 2.096 20 10 CECDRO COCC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000081708032 330352056 /nfs/dbraw/zinc/35/20/56/330352056.db2.gz NBIWOEVZHJPEJJ-WDEREUQCSA-N 1 0 253.342 2.476 20 10 CECDRO COCCC1(C[NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000224911303 333227492 /nfs/dbraw/zinc/22/74/92/333227492.db2.gz DJMMSMGFBKHCOB-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO Cc1c([C@@H](C)[NH2+]Cc2cc(F)ccc2O)cnn1C ZINC000226584572 333265644 /nfs/dbraw/zinc/26/56/44/333265644.db2.gz FXXGIUWLVYKBKW-SECBINFHSA-N 1 0 263.316 2.424 20 10 CECDRO COc1cccc(CN2CC[C@H]([NH+]3CCCC3)C2)c1O ZINC000133953561 334074998 /nfs/dbraw/zinc/07/49/98/334074998.db2.gz DAXBRWFXKWRGBQ-AWEZNQCLSA-N 1 0 276.380 2.071 20 10 CECDRO COc1cccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1O ZINC000245884723 334222843 /nfs/dbraw/zinc/22/28/43/334222843.db2.gz IQDIUBDCUUDTQD-AWEZNQCLSA-N 1 0 276.380 2.071 20 10 CECDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000271363222 334743257 /nfs/dbraw/zinc/74/32/57/334743257.db2.gz ISJIDIQYSHVHII-MNOVXSKESA-N 1 0 279.336 2.026 20 10 CECDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000040773106 519362252 /nfs/dbraw/zinc/36/22/52/519362252.db2.gz JBZSXVYEJXEQFB-CQSZACIVSA-N 1 0 250.386 2.249 20 10 CECDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2O)C1 ZINC000280939295 519539920 /nfs/dbraw/zinc/53/99/20/519539920.db2.gz IQTDKULOWHSPQL-JSGCOSHPSA-N 1 0 276.380 2.301 20 10 CECDRO CC(C)[NH+](CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000299534635 519636272 /nfs/dbraw/zinc/63/62/72/519636272.db2.gz DZOMGGSQNVAMFD-UHFFFAOYSA-N 1 0 291.439 2.488 20 10 CECDRO CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000290313180 519787006 /nfs/dbraw/zinc/78/70/06/519787006.db2.gz NUOFAUDYMNXMNC-SNVBAGLBSA-N 1 0 289.372 2.005 20 10 CECDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000293104975 520351600 /nfs/dbraw/zinc/35/16/00/520351600.db2.gz YAFAUHFZHXLKAU-MRXNPFEDSA-N 1 0 293.363 2.152 20 10 CECDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1O ZINC000275814855 520476850 /nfs/dbraw/zinc/47/68/50/520476850.db2.gz DSDKIPCXOIIQKG-ZDUSSCGKSA-N 1 0 253.317 2.124 20 10 CECDRO CC1(C)COCCN1CC[NH2+]Cc1c(O)cccc1Cl ZINC000264930057 520504067 /nfs/dbraw/zinc/50/40/67/520504067.db2.gz ADPVMIPXDFNLAZ-UHFFFAOYSA-N 1 0 298.814 2.246 20 10 CECDRO CCCC[N@H+](CCCO)Cc1cc(OC)c(OC)cc1O ZINC000289456781 520505617 /nfs/dbraw/zinc/50/56/17/520505617.db2.gz NXNFLYNLYYPCGJ-UHFFFAOYSA-N 1 0 297.395 2.394 20 10 CECDRO CCCC[N@H+](CCOC)Cc1cc2c(cc1O)OCO2 ZINC000068620032 520535930 /nfs/dbraw/zinc/53/59/30/520535930.db2.gz XXXCOTYKYKYZDG-UHFFFAOYSA-N 1 0 281.352 2.369 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)C[NH2+]C)cc1F ZINC000236906923 520903541 /nfs/dbraw/zinc/90/35/41/520903541.db2.gz WUTODLZUGPAECM-GFCCVEGCSA-N 1 0 295.402 2.144 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@](C)(O)C2)c1O ZINC000129474949 521340116 /nfs/dbraw/zinc/34/01/16/521340116.db2.gz KFHUKTOATYUHGZ-HNNXBMFYSA-N 1 0 265.353 2.138 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](COC)[C@H]2CCCO2)c1O ZINC000278604504 521371126 /nfs/dbraw/zinc/37/11/26/521371126.db2.gz ICLJSEJQRKOOQR-UONOGXRCSA-N 1 0 295.379 2.075 20 10 CECDRO CCC[N@H+](CC(=O)NC)Cc1ccc(N(C)C)c(C)c1 ZINC000293379612 521545366 /nfs/dbraw/zinc/54/53/66/521545366.db2.gz GELYZEDQJGJRGH-UHFFFAOYSA-N 1 0 277.412 2.019 20 10 CECDRO CN(C)c1ccc(C[N@H+](CCO)C2CCC2)cc1F ZINC000275937999 522172279 /nfs/dbraw/zinc/17/22/79/522172279.db2.gz HYNDWVSNWAKHRV-UHFFFAOYSA-N 1 0 266.360 2.239 20 10 CECDRO CC[C@@H]([NH2+]C[C@H](COC)OC)c1ccc(N(C)C)cc1 ZINC000272725526 522861633 /nfs/dbraw/zinc/86/16/33/522861633.db2.gz YOBPQWYRKALYLB-HZPDHXFCSA-N 1 0 280.412 2.455 20 10 CECDRO CC[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccccc1O ZINC000274879192 522861787 /nfs/dbraw/zinc/86/17/87/522861787.db2.gz HFQFIHIGFJERBE-ZBFHGGJFSA-N 1 0 279.380 2.220 20 10 CECDRO COCC1(CC[NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000292987986 522862595 /nfs/dbraw/zinc/86/25/95/522862595.db2.gz NRLOQRBRQFSJMG-UHFFFAOYSA-N 1 0 293.363 2.417 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccccc1O ZINC000036976951 522945775 /nfs/dbraw/zinc/94/57/75/522945775.db2.gz RSUDVEGYJVJYAW-OLZOCXBDSA-N 1 0 262.353 2.102 20 10 CECDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)COc1ccccc1 ZINC000264695639 523384725 /nfs/dbraw/zinc/38/47/25/523384725.db2.gz IHRSGELUUGZSKG-OAHLLOKOSA-N 1 0 287.359 2.264 20 10 CECDRO CN(c1ccc(CNC(=O)CC[NH3+])cc1)C1CCCCC1 ZINC000237053895 523636834 /nfs/dbraw/zinc/63/68/34/523636834.db2.gz CBKCAXYCJWVMBW-UHFFFAOYSA-N 1 0 289.423 2.421 20 10 CECDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000279443450 523966137 /nfs/dbraw/zinc/96/61/37/523966137.db2.gz PJSKUCGHJHIFAU-VHSXEESVSA-N 1 0 283.755 2.477 20 10 CECDRO COc1ccc(N(C)C[C@@H](O)C[N@H+](C)C2CC2)cc1Cl ZINC000289426174 524352765 /nfs/dbraw/zinc/35/27/65/524352765.db2.gz XAGHQNMEFSYWFM-ZDUSSCGKSA-N 1 0 298.814 2.240 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000290553980 524404544 /nfs/dbraw/zinc/40/45/44/524404544.db2.gz RZKVGAJYSBTRML-OAHLLOKOSA-N 1 0 288.391 2.145 20 10 CECDRO Cc1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280137706 524410355 /nfs/dbraw/zinc/41/03/55/524410355.db2.gz CTLVFXDTCDKNQV-BBRMVZONSA-N 1 0 277.364 2.080 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000084867036 524426871 /nfs/dbraw/zinc/42/68/71/524426871.db2.gz DGNIQACLFMZUHJ-CQSZACIVSA-N 1 0 294.370 2.135 20 10 CECDRO Cc1cccc(C[NH2+]CCCOC[C@H]2CCCO2)c1O ZINC000158080520 524431834 /nfs/dbraw/zinc/43/18/34/524431834.db2.gz QDTJUSRBODRFCU-OAHLLOKOSA-N 1 0 279.380 2.376 20 10 CECDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000097436154 524509336 /nfs/dbraw/zinc/50/93/36/524509336.db2.gz NZZXUXNTTYJURT-STQMWFEESA-N 1 0 250.386 2.422 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000280254016 524620358 /nfs/dbraw/zinc/62/03/58/524620358.db2.gz LIZAENSJEZJFJV-WMLDXEAASA-N 1 0 290.407 2.132 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c1 ZINC000291014683 524744987 /nfs/dbraw/zinc/74/49/87/524744987.db2.gz XEFMTEUUWSBPAW-CQSZACIVSA-N 1 0 287.363 2.353 20 10 CECDRO COc1ncccc1CC[NH2+]Cc1cccc(C)c1O ZINC000290908641 525044964 /nfs/dbraw/zinc/04/49/64/525044964.db2.gz MXUMQGBLGBRYRQ-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)cc1C ZINC000277442689 525317844 /nfs/dbraw/zinc/31/78/44/525317844.db2.gz KEOYKJGADDLXAU-WYRIXSBYSA-N 1 0 281.421 2.209 20 10 CECDRO C[S@](=O)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000280664840 525381602 /nfs/dbraw/zinc/38/16/02/525381602.db2.gz PHNBBPPVIOHCNE-IBGZPJMESA-N 1 0 279.405 2.012 20 10 CECDRO C[C@@H]([NH2+]CCN1CCSCC1)c1ccc(N(C)C)cc1 ZINC000223464555 525448685 /nfs/dbraw/zinc/44/86/85/525448685.db2.gz HRQNFVWCDLWEPN-CQSZACIVSA-N 1 0 293.480 2.452 20 10 CECDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000041159269 525481046 /nfs/dbraw/zinc/48/10/46/525481046.db2.gz SBVKDNDLBSFNCU-LBPRGKRZSA-N 1 0 258.369 2.337 20 10 CECDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(F)ccc1O)C[C@@H](C)O2 ZINC000280358013 525604334 /nfs/dbraw/zinc/60/43/34/525604334.db2.gz CJWQGBYLMDNNLE-WQGACYEGSA-N 1 0 295.354 2.300 20 10 CECDRO C[C@@]1(O)CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000279703714 525882672 /nfs/dbraw/zinc/88/26/72/525882672.db2.gz RNWUOQNHWKYRIS-CQSZACIVSA-N 1 0 253.317 2.268 20 10 CECDRO CS[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1N(C)C ZINC000278845749 525914063 /nfs/dbraw/zinc/91/40/63/525914063.db2.gz LLZZHWHZXDTINE-CVEARBPZSA-N 1 0 293.480 2.230 20 10 CECDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3O)C2)c1 ZINC000290374987 526269181 /nfs/dbraw/zinc/26/91/81/526269181.db2.gz ATDKUZCUZFPXAI-AWEZNQCLSA-N 1 0 257.337 2.344 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CCN1CCCCCC1)OCO2 ZINC000042880383 526336879 /nfs/dbraw/zinc/33/68/79/526336879.db2.gz CFXXUMLBCLGRSO-UHFFFAOYSA-N 1 0 292.379 2.087 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368220347 526364995 /nfs/dbraw/zinc/36/49/95/526364995.db2.gz FLPPKHIVEULOIV-VIFPVBQESA-N 1 0 277.755 2.416 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000729530431 574489356 /nfs/dbraw/zinc/48/93/56/574489356.db2.gz CIQXROPXZSYCAH-AWEZNQCLSA-N 1 0 276.380 2.083 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@](C)(O)CC)c(O)c1 ZINC000732229202 574615313 /nfs/dbraw/zinc/61/53/13/574615313.db2.gz HSOBZVPNHHDUFM-CQSZACIVSA-N 1 0 253.342 2.042 20 10 CECDRO CN1CC[C@H]([N@H+](C)Cc2c(O)ccc3ccccc32)C1=O ZINC000738265526 574856444 /nfs/dbraw/zinc/85/64/44/574856444.db2.gz HPMWQFVFEYQNGW-HNNXBMFYSA-N 1 0 284.359 2.208 20 10 CECDRO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000746313998 575154286 /nfs/dbraw/zinc/15/42/86/575154286.db2.gz FTFSLOLRVMSDBX-MRXNPFEDSA-N 1 0 289.423 2.276 20 10 CECDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000749564410 575226056 /nfs/dbraw/zinc/22/60/56/575226056.db2.gz VHDVGCOAUUOYTQ-MRXNPFEDSA-N 1 0 289.423 2.243 20 10 CECDRO c1n[nH]cc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000749918663 575239767 /nfs/dbraw/zinc/23/97/67/575239767.db2.gz DEDRCUUAWNHMFB-UHFFFAOYSA-N 1 0 288.420 2.253 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000752124100 575305705 /nfs/dbraw/zinc/30/57/05/575305705.db2.gz IUEMGQHQLZWQSS-GOSISDBHSA-N 1 0 299.370 2.324 20 10 CECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000179447315 625443648 /nfs/dbraw/zinc/44/36/48/625443648.db2.gz RUVANYNPRPFZBH-INIZCTEOSA-N 1 0 293.363 2.094 20 10 CECDRO C[C@@H](NC(=O)N1C2CCC1(C[NH3+])CC2)c1ccccc1O ZINC000892453515 625499448 /nfs/dbraw/zinc/49/94/48/625499448.db2.gz MAUBXQJSPOUAPO-OPGSHWCFSA-N 1 0 289.379 2.119 20 10 CECDRO NC(=O)CC[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000179554586 625572320 /nfs/dbraw/zinc/57/23/20/625572320.db2.gz GMMUVRMRTXVYCL-UHFFFAOYSA-N 1 0 284.359 2.270 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160225752 622573554 /nfs/dbraw/zinc/57/35/54/622573554.db2.gz PRGAETONSKJQFR-LBPRGKRZSA-N 1 0 293.363 2.094 20 10 CECDRO CCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000049740610 622931515 /nfs/dbraw/zinc/93/15/15/622931515.db2.gz JBPBFYLRFUDBLD-UHFFFAOYSA-N 1 0 289.423 2.245 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C2COCCOC2)cc1 ZINC000813879629 623200802 /nfs/dbraw/zinc/20/08/02/623200802.db2.gz OIQMSSAKSNBFBP-ZDUSSCGKSA-N 1 0 278.396 2.209 20 10 CECDRO CN(C)c1ccc([C@H](CNC(=O)C(C)(F)F)[NH+](C)C)cc1 ZINC000891250227 623327359 /nfs/dbraw/zinc/32/73/59/623327359.db2.gz VJLUJFMEWUYVNN-ZDUSSCGKSA-N 1 0 299.365 2.127 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCOC2)c(Cl)c1 ZINC000840876978 625203413 /nfs/dbraw/zinc/20/34/13/625203413.db2.gz VOFICWMARNLHNX-SNVBAGLBSA-N 1 0 255.745 2.480 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]2O)c1O ZINC000323672002 634468972 /nfs/dbraw/zinc/46/89/72/634468972.db2.gz MRAPXKHQNVPINI-QWRGUYRKSA-N 1 0 271.744 2.057 20 10 CECDRO COc1ccc(C[NH2+]CCOC(C)(C)C)c(O)c1OC ZINC000892744580 627745762 /nfs/dbraw/zinc/74/57/62/627745762.db2.gz AFYHHDLZJGNHHN-UHFFFAOYSA-N 1 0 283.368 2.314 20 10 CECDRO Cn1ncc(C[NH2+]Cc2ccccc2O)c1C1CC1 ZINC000892790576 627775216 /nfs/dbraw/zinc/77/52/16/627775216.db2.gz FVRVMVVFDOLWIT-UHFFFAOYSA-N 1 0 257.337 2.293 20 10 CECDRO COCCOc1ccc(C[NH2+]Cc2ccccc2O)o1 ZINC000892790763 627775324 /nfs/dbraw/zinc/77/53/24/627775324.db2.gz IJMPYPQBYISSRZ-UHFFFAOYSA-N 1 0 277.320 2.300 20 10 CECDRO CC1(C)OC[C@H](C[NH2+]CCCSc2nccs2)O1 ZINC000893045102 627965266 /nfs/dbraw/zinc/96/52/66/627965266.db2.gz NFLHQCIBRRGXLX-JTQLQIEISA-N 1 0 288.438 2.366 20 10 CECDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893074141 627981442 /nfs/dbraw/zinc/98/14/42/627981442.db2.gz KXWPMOAMNMHWBO-DGCLKSJQSA-N 1 0 297.395 2.296 20 10 CECDRO NC(=O)c1c[nH+]ccc1NCc1ccc(N2CCCC2)cc1 ZINC000184055007 628198083 /nfs/dbraw/zinc/19/80/83/628198083.db2.gz LLFISABNCSHGPQ-UHFFFAOYSA-N 1 0 296.374 2.393 20 10 CECDRO COc1ccc(C[NH2+]CCC2CCOCC2)c(O)c1 ZINC000311430862 628533950 /nfs/dbraw/zinc/53/39/50/628533950.db2.gz QYLPUEYXEWHIQF-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COCC2(C)C)c1 ZINC000313060181 628577637 /nfs/dbraw/zinc/57/76/37/628577637.db2.gz MPTPGPNEHSVKHM-QMTHXVAHSA-N 1 0 265.353 2.476 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c(O)c1OC ZINC000893552112 628734178 /nfs/dbraw/zinc/73/41/78/628734178.db2.gz QDXWDCMUTSVKRS-CYBMUJFWSA-N 1 0 295.379 2.145 20 10 CECDRO OCC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000258905791 628782196 /nfs/dbraw/zinc/78/21/96/628782196.db2.gz FIRLCCGXBQAHIY-UHFFFAOYSA-N 1 0 261.365 2.264 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@H](O)C(F)(F)F ZINC000840948234 628836982 /nfs/dbraw/zinc/83/69/82/628836982.db2.gz FWRUPWGCMCSOCM-ZDUSSCGKSA-N 1 0 290.329 2.416 20 10 CECDRO CC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1O ZINC000902466789 634684110 /nfs/dbraw/zinc/68/41/10/634684110.db2.gz MNWBXYSCJWLVKL-VZZFWQQMSA-N 1 0 264.344 2.465 20 10 CECDRO COc1ccc(C[NH2+]CC2(CO)CCCC2)c(O)c1OC ZINC000893659449 628900256 /nfs/dbraw/zinc/90/02/56/628900256.db2.gz AYLQEVGHKJUBKC-UHFFFAOYSA-N 1 0 295.379 2.052 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCCn2cccn2)c1O ZINC000894167294 629182044 /nfs/dbraw/zinc/18/20/44/629182044.db2.gz XOCWPIFRDOYDOK-UHFFFAOYSA-N 1 0 275.352 2.086 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2cccnc2OC)c1O ZINC000894171033 629188315 /nfs/dbraw/zinc/18/83/15/629188315.db2.gz BOEGATWPFAZHBS-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCCCO2)c1O ZINC000894204211 629205862 /nfs/dbraw/zinc/20/58/62/629205862.db2.gz JQMHTTCAUYWGRN-CYBMUJFWSA-N 1 0 265.353 2.368 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C2CC2)c1O ZINC000894245430 629252160 /nfs/dbraw/zinc/25/21/60/629252160.db2.gz BLFGTXVVOBENOF-LBPRGKRZSA-N 1 0 278.396 2.282 20 10 CECDRO COc1cc(C)cc(C[NH+]2CCC(C)(O)CC2)c1O ZINC000178900300 629265545 /nfs/dbraw/zinc/26/55/45/629265545.db2.gz JUABJDOWWMPECH-UHFFFAOYSA-N 1 0 265.353 2.056 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(C)cc1O ZINC000794798814 629324324 /nfs/dbraw/zinc/32/43/24/629324324.db2.gz YTKPCXNXOGTBKN-TZMCWYRMSA-N 1 0 265.353 2.157 20 10 CECDRO CC[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccc(C)cc1O ZINC000794813828 629327801 /nfs/dbraw/zinc/32/78/01/629327801.db2.gz FQCQOOFJKXVJEI-ZDUSSCGKSA-N 1 0 287.367 2.263 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)c1O ZINC000894340513 629370317 /nfs/dbraw/zinc/37/03/17/629370317.db2.gz OZMVJLXNXNFGLH-TZMCWYRMSA-N 1 0 290.407 2.424 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1O ZINC000894359417 629391453 /nfs/dbraw/zinc/39/14/53/629391453.db2.gz ODYRMWLOQDKZJW-WCQYABFASA-N 1 0 265.353 2.366 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCOCC(F)F)c1O ZINC000894538618 629520230 /nfs/dbraw/zinc/52/02/30/629520230.db2.gz STTAQEKEXDUVBC-UHFFFAOYSA-N 1 0 275.295 2.081 20 10 CECDRO COc1cc(C)cc(C[NH+]2CC([C@@H]3CCOC3)C2)c1O ZINC000894605168 629550185 /nfs/dbraw/zinc/55/01/85/629550185.db2.gz WFJGXRSOLNHLNE-GFCCVEGCSA-N 1 0 277.364 2.178 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCO[C@@H]2CCCCO2)c1 ZINC000894799301 629646935 /nfs/dbraw/zinc/64/69/35/629646935.db2.gz LJCVJDMHUIRNQU-OAHLLOKOSA-N 1 0 281.352 2.034 20 10 CECDRO Cc1cccc(C[NH2+]CCO[C@@H]2CCCCO2)c1O ZINC000894801649 629647394 /nfs/dbraw/zinc/64/73/94/629647394.db2.gz XFPXEPBTYZNICI-CQSZACIVSA-N 1 0 265.353 2.333 20 10 CECDRO COc1cc(C[NH2+]C[C@H]2COCO2)c(O)c(C(C)(C)C)c1 ZINC000894886047 629722524 /nfs/dbraw/zinc/72/25/24/629722524.db2.gz UGLVKRRETOUGSW-ZDUSSCGKSA-N 1 0 295.379 2.161 20 10 CECDRO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)cc3C)C2)[nH]1 ZINC000895012961 629796100 /nfs/dbraw/zinc/79/61/00/629796100.db2.gz QEIOIPLNPOHANV-OAHLLOKOSA-N 1 0 299.422 2.477 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c1O ZINC000895014900 629798554 /nfs/dbraw/zinc/79/85/54/629798554.db2.gz PZYNTWUJECFFDU-GXTWGEPZSA-N 1 0 279.380 2.350 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c(O)c1OC ZINC000895083655 629872951 /nfs/dbraw/zinc/87/29/51/629872951.db2.gz VZJOVVXAQLSECJ-CYBMUJFWSA-N 1 0 295.379 2.409 20 10 CECDRO Oc1cc2c(cc1C[NH2+]Cc1cnn3ccccc13)OCO2 ZINC000796480120 629917468 /nfs/dbraw/zinc/91/74/68/629917468.db2.gz IZZNWOXJSCJRIX-UHFFFAOYSA-N 1 0 297.314 2.058 20 10 CECDRO CC[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)C(=O)OC ZINC000895120748 629923594 /nfs/dbraw/zinc/92/35/94/629923594.db2.gz BBUPDHHBGNVLJK-LBPRGKRZSA-N 1 0 265.353 2.298 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C2N=NC(=O)N2C)cc1Cl ZINC000895169878 629995144 /nfs/dbraw/zinc/99/51/44/629995144.db2.gz CAJLKUHXMOLLKB-QMMMGPOBSA-N 1 0 296.758 2.039 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1O ZINC000895279762 630075423 /nfs/dbraw/zinc/07/54/23/630075423.db2.gz LHNASYPGBACHKE-KGLIPLIRSA-N 1 0 277.364 2.102 20 10 CECDRO C[NH+]1CCN(c2ccc(CN3CC[C@@H]3C(F)F)cc2)CC1 ZINC000895430377 630180892 /nfs/dbraw/zinc/18/08/92/630180892.db2.gz CYTFYTTXTWLRNQ-OAHLLOKOSA-N 1 0 295.377 2.278 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000895779187 630342495 /nfs/dbraw/zinc/34/24/95/630342495.db2.gz NBMYBUDJJCLDOJ-TXEJJXNPSA-N 1 0 265.378 2.196 20 10 CECDRO COc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)c(O)c1OC ZINC000895815858 630360834 /nfs/dbraw/zinc/36/08/34/630360834.db2.gz MOBJYSLAUATPDL-LLVKDONJSA-N 1 0 295.379 2.002 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)cc1F ZINC000896385312 630548825 /nfs/dbraw/zinc/54/88/25/630548825.db2.gz QTVGNZGRLMKGDU-ZDUSSCGKSA-N 1 0 294.370 2.087 20 10 CECDRO CC[N@H+](CCC(N)=O)Cc1c(O)cc(C)cc1Cl ZINC000896709352 630646162 /nfs/dbraw/zinc/64/61/62/630646162.db2.gz CTHAYADVLPOEGM-UHFFFAOYSA-N 1 0 270.760 2.051 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726812 635486205 /nfs/dbraw/zinc/48/62/05/635486205.db2.gz VEMPGLMSLQDNPB-LBPRGKRZSA-N 1 0 277.698 2.248 20 10 CECDRO CCc1cccc(C[NH2+]CCOC2CCOCC2)c1O ZINC000897191057 630982538 /nfs/dbraw/zinc/98/25/38/630982538.db2.gz GVNQEDCKVBMUMN-UHFFFAOYSA-N 1 0 279.380 2.240 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000897229883 631003792 /nfs/dbraw/zinc/00/37/92/631003792.db2.gz YEQDKLTUGKFLAW-HNNXBMFYSA-N 1 0 290.407 2.044 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897257971 631023780 /nfs/dbraw/zinc/02/37/80/631023780.db2.gz FNBYNVVDGUPYAW-CQSZACIVSA-N 1 0 291.391 2.207 20 10 CECDRO CC[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1ccccc1O ZINC000800494945 631131220 /nfs/dbraw/zinc/13/12/20/631131220.db2.gz JIEVZZVLPTWEJI-OAHLLOKOSA-N 1 0 289.379 2.476 20 10 CECDRO CC[C@H]([NH2+]Cc1cnn(CCOC)c1)c1ccccc1O ZINC000800494844 631131481 /nfs/dbraw/zinc/13/14/81/631131481.db2.gz JIEVZZVLPTWEJI-HNNXBMFYSA-N 1 0 289.379 2.476 20 10 CECDRO COc1cccc(O)c1C[NH+]1CC(C2CCOCC2)C1 ZINC000800531387 631133017 /nfs/dbraw/zinc/13/30/17/631133017.db2.gz DHDRSSGUSDPYQI-UHFFFAOYSA-N 1 0 277.364 2.259 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)COC(C)C)c(O)c1 ZINC000800524118 631133203 /nfs/dbraw/zinc/13/32/03/631133203.db2.gz APFKSVHVWVNSBC-LLVKDONJSA-N 1 0 253.342 2.304 20 10 CECDRO COCCO[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000802652120 631440246 /nfs/dbraw/zinc/44/02/46/631440246.db2.gz LZFPZMPOMFYFEP-OAHLLOKOSA-N 1 0 295.379 2.028 20 10 CECDRO C[C@H](NC(=O)NCC[N@@H+]1CC[C@H](C)C1)c1ccccc1O ZINC000897468880 631534016 /nfs/dbraw/zinc/53/40/16/631534016.db2.gz ASBMYYCYSBDKGR-STQMWFEESA-N 1 0 291.395 2.094 20 10 CECDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841743816 631547106 /nfs/dbraw/zinc/54/71/06/631547106.db2.gz KHZUITIWECCVIK-SECBINFHSA-N 1 0 270.760 2.221 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000897511723 631602893 /nfs/dbraw/zinc/60/28/93/631602893.db2.gz PCICEUHYYRPTOQ-SWLSCSKDSA-N 1 0 277.364 2.448 20 10 CECDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCCCSc1nccs1 ZINC000864462060 631677008 /nfs/dbraw/zinc/67/70/08/631677008.db2.gz RITUTLFDBMEZGL-IUCAKERBSA-N 1 0 270.427 2.148 20 10 CECDRO COc1cc(Cl)cc(CNC[C@H]([NH3+])C(C)C)c1O ZINC000841031006 631815165 /nfs/dbraw/zinc/81/51/65/631815165.db2.gz QQUGATXJRQEIJM-NSHDSACASA-N 1 0 272.776 2.127 20 10 CECDRO CC[C@@H]1CN(C)CC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000840094764 631840718 /nfs/dbraw/zinc/84/07/18/631840718.db2.gz WFJFAKQMBQHIJM-MRXNPFEDSA-N 1 0 274.408 2.407 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1O ZINC000897685589 631867955 /nfs/dbraw/zinc/86/79/55/631867955.db2.gz OPIFTRBYZGVTAF-PBHICJAKSA-N 1 0 274.408 2.490 20 10 CECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cncs1 ZINC000897934295 631972582 /nfs/dbraw/zinc/97/25/82/631972582.db2.gz HDARWQVUAIXXRE-MRVPVSSYSA-N 1 0 278.333 2.428 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c1O ZINC000808716094 632005812 /nfs/dbraw/zinc/00/58/12/632005812.db2.gz JBIHUBGZZQGNTN-UWVGGRQHSA-N 1 0 284.787 2.481 20 10 CECDRO CCOc1cccc(C[NH2+]CC[C@H](O)C2CC2)c1O ZINC000898206066 632086843 /nfs/dbraw/zinc/08/68/43/632086843.db2.gz LGHUAWFQEJFYKX-ZDUSSCGKSA-N 1 0 265.353 2.042 20 10 CECDRO COc1cc(O)c(C[N@H+](C)[C@H]2CCCOC2)cc1OC ZINC000809692705 632128149 /nfs/dbraw/zinc/12/81/49/632128149.db2.gz FCUXEPPGVOSWMI-LBPRGKRZSA-N 1 0 281.352 2.020 20 10 CECDRO COc1cccc(O)c1C[N@H+](CCN(C)C)CC(C)C ZINC000809729818 632132391 /nfs/dbraw/zinc/13/23/91/632132391.db2.gz OPPCJCOOLPNXGX-UHFFFAOYSA-N 1 0 280.412 2.420 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnn3c2CCC3)c1 ZINC000825934103 635734661 /nfs/dbraw/zinc/73/46/61/635734661.db2.gz HCHWRHRYLOCULX-NSHDSACASA-N 1 0 287.363 2.394 20 10 CECDRO COc1ccc(O)c(CN(C)CC(C)(C)C[NH+](C)C)c1 ZINC000898308102 632166378 /nfs/dbraw/zinc/16/63/78/632166378.db2.gz OACWHTIZEVQCGY-UHFFFAOYSA-N 1 0 280.412 2.420 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)[C@H](C)OC)c(O)c1 ZINC000810174263 632192079 /nfs/dbraw/zinc/19/20/79/632192079.db2.gz QTNDJKHPNOCGJQ-MNOVXSKESA-N 1 0 253.342 2.304 20 10 CECDRO CC[C@@](C)(C[NH2+]Cc1cccc(OC)c1O)OC ZINC000322487438 632213794 /nfs/dbraw/zinc/21/37/94/632213794.db2.gz APAZTNYBYFISSN-AWEZNQCLSA-N 1 0 253.342 2.306 20 10 CECDRO CC[C@@](C)(C[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000322793858 632242512 /nfs/dbraw/zinc/24/25/12/632242512.db2.gz OKSOXRVIEUHWIJ-AWEZNQCLSA-N 1 0 267.325 2.026 20 10 CECDRO CCOC[C@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450369 632499223 /nfs/dbraw/zinc/49/92/23/632499223.db2.gz QMRPDDLFGSVJRP-WMLDXEAASA-N 1 0 293.455 2.370 20 10 CECDRO CC[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(N(C)C)cc1C ZINC000898559036 632538109 /nfs/dbraw/zinc/53/81/09/632538109.db2.gz FVOGRXDLOUVIJO-INIZCTEOSA-N 1 0 289.423 2.162 20 10 CECDRO OC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)CCC1(F)F ZINC000812775024 632575430 /nfs/dbraw/zinc/57/54/30/632575430.db2.gz CLGDLQIVPRKZRR-SNVBAGLBSA-N 1 0 291.725 2.495 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000812780854 632576864 /nfs/dbraw/zinc/57/68/64/632576864.db2.gz VPYJZXVBZHFQLQ-LBPRGKRZSA-N 1 0 273.336 2.044 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c1O ZINC000814172893 632797835 /nfs/dbraw/zinc/79/78/35/632797835.db2.gz CTZLYCAHPNIHJV-GWCFXTLKSA-N 1 0 296.798 2.190 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H](OC)C2CC2)c(O)c1 ZINC000815152966 632973460 /nfs/dbraw/zinc/97/34/60/632973460.db2.gz CPMMNHGFSUYFEA-HNNXBMFYSA-N 1 0 265.353 2.306 20 10 CECDRO CNC(=O)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816541192 633409332 /nfs/dbraw/zinc/40/93/32/633409332.db2.gz GBFSNTDWNPYWMA-UHFFFAOYSA-N 1 0 272.348 2.161 20 10 CECDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc2ccccc2c1O ZINC000816568055 633414241 /nfs/dbraw/zinc/41/42/41/633414241.db2.gz VDBVPBNUKLQHIZ-WLRWDXFRSA-N 1 0 277.389 2.402 20 10 CECDRO Cc1cccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1O ZINC000816667178 633460762 /nfs/dbraw/zinc/46/07/62/633460762.db2.gz FQOONMXMEVGLQZ-SJORKVTESA-N 1 0 291.391 2.110 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(CC(N)=O)CC2)cc1 ZINC000817411583 633650610 /nfs/dbraw/zinc/65/06/10/633650610.db2.gz VJAASXZVYDKQCI-ARJAWSKDSA-N 1 0 287.407 2.011 20 10 CECDRO NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000817413280 633652540 /nfs/dbraw/zinc/65/25/40/633652540.db2.gz VOWYOEBKOUSWPV-MQMHXKEQSA-N 1 0 288.391 2.003 20 10 CECDRO CCOc1cccc(CN2CCC3(CC[NH2+]3)CC2)c1O ZINC000817866325 633747529 /nfs/dbraw/zinc/74/75/29/633747529.db2.gz YOAYCYKTHXPYSY-UHFFFAOYSA-N 1 0 276.380 2.119 20 10 CECDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000817941460 633789788 /nfs/dbraw/zinc/78/97/88/633789788.db2.gz JVCWJZCDDNWFIC-SUMWQHHRSA-N 1 0 291.439 2.157 20 10 CECDRO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)C1 ZINC000817943274 633790348 /nfs/dbraw/zinc/79/03/48/633790348.db2.gz TWELOXKFWTWTJZ-DJIMGWMZSA-N 1 0 291.439 2.300 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817945957 633792228 /nfs/dbraw/zinc/79/22/28/633792228.db2.gz OHYFCOLFXNSAQK-WDEREUQCSA-N 1 0 252.333 2.182 20 10 CECDRO C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817955006 633798976 /nfs/dbraw/zinc/79/89/76/633798976.db2.gz OFRHNLUFYNEXMY-WDEREUQCSA-N 1 0 252.333 2.182 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817967952 633810406 /nfs/dbraw/zinc/81/04/06/633810406.db2.gz CVWAEUYSXKSFPB-WDEREUQCSA-N 1 0 279.340 2.093 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817969763 633812016 /nfs/dbraw/zinc/81/20/16/633812016.db2.gz ZLZQUPNUVPISOF-ZYHUDNBSSA-N 1 0 252.333 2.324 20 10 CECDRO COc1ccc(O)c([C@H](C)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000817968998 633812215 /nfs/dbraw/zinc/81/22/15/633812215.db2.gz OVLWZZJZJJKZPK-SUNKGSAMSA-N 1 0 264.369 2.049 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972634 633814905 /nfs/dbraw/zinc/81/49/05/633814905.db2.gz YVPDWSDZUXVXDP-VWYCJHECSA-N 1 0 279.340 2.092 20 10 CECDRO COC[C@]1(CN[C@H](C)c2c(C)cc(C)cc2O)CCC[NH2+]1 ZINC000817973682 633817412 /nfs/dbraw/zinc/81/74/12/633817412.db2.gz GIKGBLKNTYJIJU-RHSMWYFYSA-N 1 0 292.423 2.428 20 10 CECDRO C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981855 633824880 /nfs/dbraw/zinc/82/48/80/633824880.db2.gz VVYIAMJOJYMVKB-VXGBXAGGSA-N 1 0 293.367 2.483 20 10 CECDRO COc1ccc(O)c([C@@H](C)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000817984129 633825988 /nfs/dbraw/zinc/82/59/88/633825988.db2.gz NQIRRRJKZGPKPT-VXGBXAGGSA-N 1 0 264.369 2.194 20 10 CECDRO CCOc1cccc(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c1O ZINC000822521312 634936357 /nfs/dbraw/zinc/93/63/57/634936357.db2.gz ZYODXEQSAQXPFZ-DZGCQCFKSA-N 1 0 290.407 2.317 20 10 CECDRO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000903217436 635020712 /nfs/dbraw/zinc/02/07/12/635020712.db2.gz ANNZZIKXCCICLM-KGLIPLIRSA-N 1 0 289.423 2.272 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(Cl)cc1O ZINC000903317821 635064697 /nfs/dbraw/zinc/06/46/97/635064697.db2.gz VHUGYORTPYMBSP-MWLCHTKSSA-N 1 0 254.761 2.400 20 10 CECDRO CC(C)([NH3+])CC[NH2+]Cc1cccc(Br)c1[O-] ZINC000903938541 635363737 /nfs/dbraw/zinc/36/37/37/635363737.db2.gz FPUPJSCAZWGIMI-UHFFFAOYSA-N 1 0 287.201 2.372 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H](C)C2CC2)cc1OC ZINC000824683650 635477866 /nfs/dbraw/zinc/47/78/66/635477866.db2.gz TUCJAXINFUHNCW-SECBINFHSA-N 1 0 251.326 2.298 20 10 CECDRO COc1cccc(O)c1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000824987855 635535585 /nfs/dbraw/zinc/53/55/85/635535585.db2.gz CVQCERZTNAKFQO-YHWZYXNKSA-N 1 0 276.380 2.116 20 10 CECDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000825040527 635546773 /nfs/dbraw/zinc/54/67/73/635546773.db2.gz MHLXKWOWLXGBFU-OLZOCXBDSA-N 1 0 281.327 2.353 20 10 CECDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000825068552 635556840 /nfs/dbraw/zinc/55/68/40/635556840.db2.gz SLDQLBNNZJLYRN-LLVKDONJSA-N 1 0 272.348 2.160 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)Cn2cncn2)cc1Cl ZINC000825150924 635579302 /nfs/dbraw/zinc/57/93/02/635579302.db2.gz MZINJHCXVRYIBJ-JTQLQIEISA-N 1 0 280.759 2.124 20 10 CECDRO N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000904462281 635635619 /nfs/dbraw/zinc/63/56/19/635635619.db2.gz SZKKSJNQXPPEGW-GDBMZVCRSA-N 1 0 272.323 2.246 20 10 CECDRO COc1cc(O)c(CNc2ccccc2C[NH3+])cc1OC ZINC000904485049 635650589 /nfs/dbraw/zinc/65/05/89/635650589.db2.gz JZEZNEAFLFCLAS-UHFFFAOYSA-N 1 0 288.347 2.480 20 10 CECDRO CCCn1nccc1C[NH2+]Cc1ccc(OC)cc1O ZINC000825753670 635707627 /nfs/dbraw/zinc/70/76/27/635707627.db2.gz TYUUCDKDJQCJJA-UHFFFAOYSA-N 1 0 275.352 2.297 20 10 CECDRO CN(C)c1ccc(CNC(=[NH2+])NC[C@@H]2CCCS2)cc1 ZINC000905041374 635783639 /nfs/dbraw/zinc/78/36/39/635783639.db2.gz HXFXFEBUHQGDIE-AWEZNQCLSA-N 1 0 292.452 2.262 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2COC(C)(C)C2)cc1OC ZINC000826796878 635849594 /nfs/dbraw/zinc/84/95/94/635849594.db2.gz OPRAWQUOWSEHAP-NSHDSACASA-N 1 0 281.352 2.067 20 10 CECDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])c2ncnn21 ZINC000826888588 635871805 /nfs/dbraw/zinc/87/18/05/635871805.db2.gz IWSBJGTVOUHZMX-KWQFWETISA-N 1 0 278.743 2.433 20 10 CECDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000827005373 636187621 /nfs/dbraw/zinc/18/76/21/636187621.db2.gz FMSYAEQHFFYYMG-HAQNSBGRSA-N 1 0 281.352 2.067 20 10 CECDRO CN(C)c1ccc(C[N@H+](CC[S@@](C)=O)C2CC2)cc1 ZINC000827443153 636322256 /nfs/dbraw/zinc/32/22/56/636322256.db2.gz XYZUTYTWIAKTGL-LJQANCHMSA-N 1 0 280.437 2.096 20 10 CECDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2cc(F)ccc2O)CC1=O ZINC000827555054 636351147 /nfs/dbraw/zinc/35/11/47/636351147.db2.gz MRZLZUIWZVVDRV-NSHDSACASA-N 1 0 294.370 2.268 20 10 CECDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC2(COC2)C1 ZINC000827643136 636373254 /nfs/dbraw/zinc/37/32/54/636373254.db2.gz HMSWMNJGUFNFDX-UHFFFAOYSA-N 1 0 253.729 2.268 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1O ZINC000827692273 636392843 /nfs/dbraw/zinc/39/28/43/636392843.db2.gz HDBRHZKIJXUARZ-MLGOLLRUSA-N 1 0 263.381 2.405 20 10 CECDRO COc1cc(C[N@@H+]2CCO[C@@H](C)CC2)c(O)cc1C ZINC000905743624 636429601 /nfs/dbraw/zinc/42/96/01/636429601.db2.gz XKWKAMDGAOPANJ-LBPRGKRZSA-N 1 0 265.353 2.320 20 10 CECDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827930890 636462557 /nfs/dbraw/zinc/46/25/57/636462557.db2.gz TUHZYIGPAYGJJU-OCCSQVGLSA-N 1 0 276.380 2.444 20 10 CECDRO COC(=O)NC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000827935595 636462585 /nfs/dbraw/zinc/46/25/85/636462585.db2.gz ZPFCIOVIEKQJLQ-UHFFFAOYSA-N 1 0 298.770 2.366 20 10 CECDRO [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000841081930 636801445 /nfs/dbraw/zinc/80/14/45/636801445.db2.gz GACHBEMGPYJRBQ-HAQNSBGRSA-N 1 0 266.360 2.386 20 10 CECDRO COC(=O)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876530924 650307045 /nfs/dbraw/zinc/30/70/45/650307045.db2.gz TVMZZSFPODMNJC-UHFFFAOYSA-N 1 0 263.337 2.086 20 10 CECDRO CCC1(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)CCC1 ZINC000832266846 637528849 /nfs/dbraw/zinc/52/88/49/637528849.db2.gz JQBYGJLSAJDZDR-OAHLLOKOSA-N 1 0 289.423 2.449 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCC2CCC2)cc1 ZINC000832267388 637529280 /nfs/dbraw/zinc/52/92/80/637529280.db2.gz RKVAYJHNWRLGDV-MRXNPFEDSA-N 1 0 289.423 2.449 20 10 CECDRO CC[C@H](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278533 637531853 /nfs/dbraw/zinc/53/18/53/637531853.db2.gz DSEJKEIAMDQAGW-WFASDCNBSA-N 1 0 277.412 2.305 20 10 CECDRO CC(C)COC[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834531206 637856584 /nfs/dbraw/zinc/85/65/84/637856584.db2.gz SDLRSQUFPAHPMZ-KGLIPLIRSA-N 1 0 279.380 2.003 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCc3n[nH]cc3C1)CC2 ZINC000834680700 637917444 /nfs/dbraw/zinc/91/74/44/637917444.db2.gz GFKZBGWIPRITTR-GXTWGEPZSA-N 1 0 269.348 2.250 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834765511 637944151 /nfs/dbraw/zinc/94/41/51/637944151.db2.gz NBSPOJUAWHELPH-UMVBOHGHSA-N 1 0 277.364 2.163 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834844827 637968522 /nfs/dbraw/zinc/96/85/22/637968522.db2.gz VFYALTFXQBHYFH-NSODJVPESA-N 1 0 297.370 2.457 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccc(N(C)C)cc1 ZINC000834892486 637979856 /nfs/dbraw/zinc/97/98/56/637979856.db2.gz VOKYCEZAZCRSMQ-GDBMZVCRSA-N 1 0 289.423 2.414 20 10 CECDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000834898693 637981480 /nfs/dbraw/zinc/98/14/80/637981480.db2.gz BLSXIJLGJQVTKA-VXGBXAGGSA-N 1 0 290.407 2.446 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c(O)c1C ZINC000834906746 637984038 /nfs/dbraw/zinc/98/40/38/637984038.db2.gz GXXWTSCTZOWAOR-FRRDWIJNSA-N 1 0 276.380 2.314 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c(O)c1 ZINC000834909698 637984721 /nfs/dbraw/zinc/98/47/21/637984721.db2.gz STKFABQJUNIZJT-WBMJQRKESA-N 1 0 276.380 2.328 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C(=O)NC ZINC000834915761 637987492 /nfs/dbraw/zinc/98/74/92/637987492.db2.gz ZUUGIRIFOHQVRM-KWQFWETISA-N 1 0 270.760 2.221 20 10 CECDRO C[C@@H]1CN(C(=O)/C=C/[C@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000876657656 650382646 /nfs/dbraw/zinc/38/26/46/650382646.db2.gz QLKAEOODXWAYKU-SJXIGLKTSA-N 1 0 286.375 2.356 20 10 CECDRO C[C@@H]1CN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000876657655 650382745 /nfs/dbraw/zinc/38/27/45/650382745.db2.gz QLKAEOODXWAYKU-OZMYFSDFSA-N 1 0 286.375 2.356 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCn2ccnc2)cc1 ZINC000835033953 638031701 /nfs/dbraw/zinc/03/17/01/638031701.db2.gz MDDRVPAVMLCBIV-ARJAWSKDSA-N 1 0 270.380 2.252 20 10 CECDRO CC(C)[C@@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835043133 638034840 /nfs/dbraw/zinc/03/48/40/638034840.db2.gz NEDACPCHLVIUSK-SQRWCISFSA-N 1 0 262.397 2.372 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H](CO)CC(F)F)cc1 ZINC000835047979 638038552 /nfs/dbraw/zinc/03/85/52/638038552.db2.gz DLNQMZWRWNQIEZ-DHCBQETCSA-N 1 0 284.350 2.372 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH+]2CC3(C2)CCOC3)cc1 ZINC000835056287 638042482 /nfs/dbraw/zinc/04/24/82/638042482.db2.gz SSWXPVRSOJDEIT-ONEGZZNKSA-N 1 0 272.392 2.488 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)CN(C)C)c1 ZINC000835068153 638047184 /nfs/dbraw/zinc/04/71/84/638047184.db2.gz CFYBGQHITNILFN-UHFFFAOYSA-N 1 0 266.385 2.221 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cc1C ZINC000835072273 638048846 /nfs/dbraw/zinc/04/88/46/638048846.db2.gz DZEUVLCEQDWVMP-GJZGRUSLSA-N 1 0 288.391 2.247 20 10 CECDRO Cc1ccc(C[NH+]2CCC(C3OCCO3)CC2)c(O)c1 ZINC000876679253 650396015 /nfs/dbraw/zinc/39/60/15/650396015.db2.gz OAAZRLQEYNWWED-UHFFFAOYSA-N 1 0 277.364 2.286 20 10 CECDRO Cc1ccc(C[NH+]2CCC(CCC(N)=O)CC2)c(O)c1 ZINC000876759553 650423700 /nfs/dbraw/zinc/42/37/00/650423700.db2.gz MXIVFUAGVVVMGD-UHFFFAOYSA-N 1 0 276.380 2.178 20 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278.396 2.207 20 10 CECDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000840888222 639573174 /nfs/dbraw/zinc/57/31/74/639573174.db2.gz DCGNZAPWZAJIDG-GFCCVEGCSA-N 1 0 285.409 2.176 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCC(=O)N(C)C2)c(Cl)c1 ZINC000840898168 639576450 /nfs/dbraw/zinc/57/64/50/639576450.db2.gz FWQSCTWMRSKVSB-JTQLQIEISA-N 1 0 282.771 2.064 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCSC[C@@H]1CCO ZINC000840919835 639585628 /nfs/dbraw/zinc/58/56/28/639585628.db2.gz POBXYGJWLKMEEL-INIZCTEOSA-N 1 0 294.464 2.361 20 10 CECDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933324 639590425 /nfs/dbraw/zinc/59/04/25/639590425.db2.gz NCZVNEAEYRRGPG-UHFFFAOYSA-N 1 0 277.412 2.019 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)CC1CC1 ZINC000840937777 639592430 /nfs/dbraw/zinc/59/24/30/639592430.db2.gz XRWBPHUZFNSIHZ-OAHLLOKOSA-N 1 0 262.397 2.312 20 10 CECDRO CCOC1CC(O)(C[NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840940527 639594023 /nfs/dbraw/zinc/59/40/23/639594023.db2.gz DPRAYZMMTLJNNT-UHFFFAOYSA-N 1 0 292.423 2.081 20 10 CECDRO CC[N@H+](CCOCCO)Cc1c(O)cc(C)cc1Cl ZINC000840943140 639595084 /nfs/dbraw/zinc/59/50/84/639595084.db2.gz VPBVSNGBYFSJLV-UHFFFAOYSA-N 1 0 287.787 2.185 20 10 CECDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2C)n(C)n1 ZINC000840943405 639595756 /nfs/dbraw/zinc/59/57/56/639595756.db2.gz QWZCZRUVPPOBJN-UHFFFAOYSA-N 1 0 272.396 2.393 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000840948760 639598123 /nfs/dbraw/zinc/59/81/23/639598123.db2.gz XLYRZWCPXXIZSW-OAHLLOKOSA-N 1 0 262.397 2.406 20 10 CECDRO COCC[C@H](C)C[NH2+]Cc1cc(OC)ccc1O ZINC000840954202 639600213 /nfs/dbraw/zinc/60/02/13/639600213.db2.gz AOZZDGVWDJFUSM-NSHDSACASA-N 1 0 253.342 2.163 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c(O)c1 ZINC000840977469 639607156 /nfs/dbraw/zinc/60/71/56/639607156.db2.gz IHIGSUCJVVZIRP-OCCSQVGLSA-N 1 0 279.380 2.384 20 10 CECDRO CC(C)[C@H]([NH3+])CNC/C=C\c1ccc(N(C)C)cc1 ZINC000841031468 639624076 /nfs/dbraw/zinc/62/40/76/639624076.db2.gz SIGFLESETLRCBR-OGZRUICASA-N 1 0 261.413 2.339 20 10 CECDRO CN(C)c1ccc(CN[C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000841045280 639630936 /nfs/dbraw/zinc/63/09/36/639630936.db2.gz ROJCHGQXZQSQDQ-NSHDSACASA-N 1 0 287.329 2.223 20 10 CECDRO Cc1cc(O)c(CNC[C@@H]([NH3+])C2CC2)c(Cl)c1 ZINC000841049956 639633566 /nfs/dbraw/zinc/63/35/66/639633566.db2.gz CZVGTKLVPYJDAR-GFCCVEGCSA-N 1 0 254.761 2.181 20 10 CECDRO Cc1cc(Cl)cc(CN[C@@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841057590 639635693 /nfs/dbraw/zinc/63/56/93/639635693.db2.gz AKYCVDOINXCSKC-NOZJJQNGSA-N 1 0 268.788 2.442 20 10 CECDRO C[C@@]1(C[NH2+]Cc2cccc(F)c2[O-])CCC[NH2+]C1 ZINC000841057047 639635740 /nfs/dbraw/zinc/63/57/40/639635740.db2.gz LKGVPLANPMLQQU-CQSZACIVSA-N 1 0 252.333 2.011 20 10 CECDRO C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841063586 639639488 /nfs/dbraw/zinc/63/94/88/639639488.db2.gz LDIZLOUPQIMRMU-GZMMTYOYSA-N 1 0 299.758 2.041 20 10 CECDRO CCOCc1cc(CN[C@H]2CC[NH2+]C2(C)C)ccc1OC ZINC000841085393 639650293 /nfs/dbraw/zinc/65/02/93/639650293.db2.gz AZNXIXKQUNHRFW-INIZCTEOSA-N 1 0 292.423 2.462 20 10 CECDRO CCOCc1cc(CN[C@@H]2CC[NH2+]C2(C)C)ccc1OC ZINC000841085394 639650338 /nfs/dbraw/zinc/65/03/38/639650338.db2.gz AZNXIXKQUNHRFW-MRXNPFEDSA-N 1 0 292.423 2.462 20 10 CECDRO CN(C)c1ccc(/C=C\CN[C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000841085632 639652413 /nfs/dbraw/zinc/65/24/13/639652413.db2.gz JBLHXURGLYYNJV-OGZRUICASA-N 1 0 273.424 2.496 20 10 CECDRO CCOc1cccc(CN[C@@H]2CCCC[NH2+]C2)c1O ZINC000841091336 639654916 /nfs/dbraw/zinc/65/49/16/639654916.db2.gz VQDVKICDKYCHLY-CYBMUJFWSA-N 1 0 264.369 2.023 20 10 CECDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000228931460 639665873 /nfs/dbraw/zinc/66/58/73/639665873.db2.gz LCFQJINNMZVEJG-VIFPVBQESA-N 1 0 270.760 2.048 20 10 CECDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000230153957 639742579 /nfs/dbraw/zinc/74/25/79/639742579.db2.gz REGPEJJZMRWTHP-RHSMWYFYSA-N 1 0 290.407 2.180 20 10 CECDRO c1cnn(C2CC([NH2+]Cc3ccc4c(c3)CCO4)C2)c1 ZINC000876995118 650524064 /nfs/dbraw/zinc/52/40/64/650524064.db2.gz ANKPBRZZUWJGBH-UHFFFAOYSA-N 1 0 269.348 2.311 20 10 CECDRO COC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000876997487 650525470 /nfs/dbraw/zinc/52/54/70/650525470.db2.gz YIQJIWAZGHRNSG-CYBMUJFWSA-N 1 0 278.352 2.021 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)N[C@H](C)CC[NH3+])cc1 ZINC000841719224 639849598 /nfs/dbraw/zinc/84/95/98/639849598.db2.gz GPRHFDZFUORNCK-CYBMUJFWSA-N 1 0 292.427 2.069 20 10 CECDRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(Cl)cc1O ZINC000841754638 639859124 /nfs/dbraw/zinc/85/91/24/639859124.db2.gz UGEYFGPUTSDYCF-VIFPVBQESA-N 1 0 282.771 2.222 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841763235 639860280 /nfs/dbraw/zinc/86/02/80/639860280.db2.gz LMLHXGIXEALYMC-HZMBPMFUSA-N 1 0 287.787 2.484 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)CC2 ZINC000841762523 639860458 /nfs/dbraw/zinc/86/04/58/639860458.db2.gz PUPZDXMEUHUKPP-NEPJUHHUSA-N 1 0 282.334 2.309 20 10 CECDRO C[C@@H](CCC[NH3+])NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882050 639897935 /nfs/dbraw/zinc/89/79/35/639897935.db2.gz VRRSSHYNPWOKOZ-STQMWFEESA-N 1 0 292.427 2.240 20 10 CECDRO O=C(NCCC[NH2+]C1CCCCC1)c1cccc(O)c1O ZINC000842232087 639979208 /nfs/dbraw/zinc/97/92/08/639979208.db2.gz HDWYVKXIRYOFAY-UHFFFAOYSA-N 1 0 292.379 2.140 20 10 CECDRO CC[NH+](CC)CCSCC(=O)N(C)c1ccc(N)cc1 ZINC000088733766 640006634 /nfs/dbraw/zinc/00/66/34/640006634.db2.gz JODLGNBRGJQTCU-UHFFFAOYSA-N 1 0 295.452 2.307 20 10 CECDRO CCC[N@@H+]1CCC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000913726849 640084607 /nfs/dbraw/zinc/08/46/07/640084607.db2.gz YHNZCYPULUFKRS-CQSZACIVSA-N 1 0 288.391 2.356 20 10 CECDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000842674453 640145907 /nfs/dbraw/zinc/14/59/07/640145907.db2.gz PIYADFCZDMCMRO-IIAWOOMASA-N 1 0 290.407 2.351 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CO1 ZINC000842674397 640145937 /nfs/dbraw/zinc/14/59/37/640145937.db2.gz ZYNOVGDNSLDXIS-PWSUYJOCSA-N 1 0 252.333 2.159 20 10 CECDRO [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843047497 640252598 /nfs/dbraw/zinc/25/25/98/640252598.db2.gz PZVMNTMZORIINX-SNVBAGLBSA-N 1 0 299.212 2.325 20 10 CECDRO Cc1cc(Br)cc(CN2CC[C@@H](C[NH3+])C2)c1O ZINC000843048434 640252843 /nfs/dbraw/zinc/25/28/43/640252843.db2.gz URBNRZCJVGPLCG-JTQLQIEISA-N 1 0 299.212 2.244 20 10 CECDRO CCN(CC)c1ccc(CN(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000843049605 640253393 /nfs/dbraw/zinc/25/33/93/640253393.db2.gz SQDLRASRFNEMBA-MRXNPFEDSA-N 1 0 261.413 2.327 20 10 CECDRO CN(C)c1ccc(/C=C\CN(C)[C@H]2CC[NH2+]C2)cc1 ZINC000843049116 640253856 /nfs/dbraw/zinc/25/38/56/640253856.db2.gz FMGWHPXSDCIREO-AWFCHZOYSA-N 1 0 259.397 2.060 20 10 CECDRO C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843057242 640259801 /nfs/dbraw/zinc/25/98/01/640259801.db2.gz HLDLCABARLOYOP-NXEZZACHSA-N 1 0 299.212 2.324 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000843128376 640295488 /nfs/dbraw/zinc/29/54/88/640295488.db2.gz WZDUGRNAEFMYIT-YPZLONQISA-N 1 0 285.435 2.450 20 10 CECDRO C[C@H](C(=O)NC(C)(C)C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843349726 640399280 /nfs/dbraw/zinc/39/92/80/640399280.db2.gz JVJFYJQLLSENES-GFCCVEGCSA-N 1 0 289.423 2.201 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]([NH3+])CC(F)F ZINC000843413525 640419078 /nfs/dbraw/zinc/41/90/78/640419078.db2.gz ROVRJJZDXRHNEZ-NSHDSACASA-N 1 0 286.322 2.113 20 10 CECDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1=O ZINC000843416858 640420797 /nfs/dbraw/zinc/42/07/97/640420797.db2.gz YYGHBMASUHXQHZ-GFCCVEGCSA-N 1 0 280.343 2.020 20 10 CECDRO CC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000153873208 640737729 /nfs/dbraw/zinc/73/77/29/640737729.db2.gz AZGBDCXBPGLEPQ-NSHDSACASA-N 1 0 292.379 2.062 20 10 CECDRO COC(=O)CC1([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000846027819 641156818 /nfs/dbraw/zinc/15/68/18/641156818.db2.gz WDBFJUUUHZPIIE-UHFFFAOYSA-N 1 0 269.728 2.231 20 10 CECDRO COc1cccc(C[NH+]2CCC([C@H](C)CO)CC2)c1O ZINC000846057309 641165887 /nfs/dbraw/zinc/16/58/87/641165887.db2.gz GMRSLLKRQHWFIC-GFCCVEGCSA-N 1 0 279.380 2.241 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1O ZINC000846074159 641174818 /nfs/dbraw/zinc/17/48/18/641174818.db2.gz VWWYEMVHNMTFSA-DOMZBBRYSA-N 1 0 288.391 2.444 20 10 CECDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000846109104 641184359 /nfs/dbraw/zinc/18/43/59/641184359.db2.gz CYDUVHKQCKOAQZ-NSHDSACASA-N 1 0 254.349 2.094 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1C ZINC000846117940 641191414 /nfs/dbraw/zinc/19/14/14/641191414.db2.gz IINREVMEMYOLSZ-GDBMZVCRSA-N 1 0 291.391 2.387 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1C1CC1 ZINC000846121811 641193682 /nfs/dbraw/zinc/19/36/82/641193682.db2.gz CLRZPQQTAWZYAU-UONOGXRCSA-N 1 0 293.338 2.162 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCCn2ccnc2)c1O ZINC000846136048 641197343 /nfs/dbraw/zinc/19/73/43/641197343.db2.gz GSQPHUDBADYILH-GFCCVEGCSA-N 1 0 275.352 2.338 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCn2ccnc2C)c1O ZINC000846141748 641198845 /nfs/dbraw/zinc/19/88/45/641198845.db2.gz NHWUIQQNXSLPHZ-LLVKDONJSA-N 1 0 275.352 2.257 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCOCC2CC2)c1O ZINC000846146344 641201585 /nfs/dbraw/zinc/20/15/85/641201585.db2.gz QDLDBTBCAYOXLG-NSHDSACASA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCCO[C@H]2CCOC2)c1O ZINC000846149842 641203413 /nfs/dbraw/zinc/20/34/13/641203413.db2.gz MVNAICRLBMCVGJ-STQMWFEESA-N 1 0 295.379 2.247 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1O ZINC000846152856 641204165 /nfs/dbraw/zinc/20/41/65/641204165.db2.gz FDYOGDGXHXERPG-CMPLNLGQSA-N 1 0 287.363 2.332 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CC[S@@](C)=O)c1O ZINC000846152854 641204929 /nfs/dbraw/zinc/20/49/29/641204929.db2.gz FBHJHVPEBZCGTE-ZHYXMNDGSA-N 1 0 285.409 2.209 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCOC2)c1O ZINC000846162733 641208068 /nfs/dbraw/zinc/20/80/68/641208068.db2.gz JDDOXGMMWQPCBP-VXGBXAGGSA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCOCC(F)F)c1O ZINC000846163954 641208989 /nfs/dbraw/zinc/20/89/89/641208989.db2.gz CTPSCISEWXSBCZ-SECBINFHSA-N 1 0 275.295 2.333 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](C)[C@H](C)OC)c1O ZINC000846168455 641210607 /nfs/dbraw/zinc/21/06/07/641210607.db2.gz CWNGTJZJWXWUBK-MXWKQRLJSA-N 1 0 253.342 2.475 20 10 CECDRO COCC[C@H](COC)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846172926 641212893 /nfs/dbraw/zinc/21/28/93/641212893.db2.gz PPESYYTYJYQJFA-VXGBXAGGSA-N 1 0 283.368 2.103 20 10 CECDRO C[C@H]([NH2+][C@@H](CO)CCF)c1ccc(N(C)C)cc1 ZINC000846208775 641223129 /nfs/dbraw/zinc/22/31/29/641223129.db2.gz KZGRNKOEEXXRGW-WCQYABFASA-N 1 0 254.349 2.124 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCF)c2c1c(F)ccc2O ZINC000846208771 641223551 /nfs/dbraw/zinc/22/35/51/641223551.db2.gz KYMFSHUSDDSEOP-WCABBAIRSA-N 1 0 271.307 2.390 20 10 CECDRO CCC[C@@](C)(CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000182212610 641634157 /nfs/dbraw/zinc/63/41/57/641634157.db2.gz JLOOQVGIKWIQNH-HNNXBMFYSA-N 1 0 283.368 2.050 20 10 CECDRO CN(Cc1ccon1)c1ccc(OCC[NH+](C)C)cc1 ZINC000877341658 650680559 /nfs/dbraw/zinc/68/05/59/650680559.db2.gz DOIZSXGYYJDNCC-UHFFFAOYSA-N 1 0 275.352 2.251 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](c2nccn2C)C2CC2)c1 ZINC000183327076 641729341 /nfs/dbraw/zinc/72/93/41/641729341.db2.gz WIRBGYJBCQJOTF-OAHLLOKOSA-N 1 0 287.363 2.375 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c1 ZINC000071407922 641762948 /nfs/dbraw/zinc/76/29/48/641762948.db2.gz OPHQUOLAVJAFEP-UHFFFAOYSA-N 1 0 290.407 2.437 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000184266062 641850697 /nfs/dbraw/zinc/85/06/97/641850697.db2.gz WRICUNMVWVQDKQ-AWEZNQCLSA-N 1 0 287.411 2.475 20 10 CECDRO Cc1ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)c(O)c1 ZINC000877398290 650705629 /nfs/dbraw/zinc/70/56/29/650705629.db2.gz CWKXXQATIVYRIO-UHFFFAOYSA-N 1 0 291.391 2.472 20 10 CECDRO C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000848414425 641983877 /nfs/dbraw/zinc/98/38/77/641983877.db2.gz MTVKJHQTWGNOHP-AWEZNQCLSA-N 1 0 289.423 2.147 20 10 CECDRO CC[C@H]([NH2+]C[C@@](C)(CO)OC)c1ccc(C)cc1O ZINC000848556372 642051055 /nfs/dbraw/zinc/05/10/55/642051055.db2.gz WCVNJWGYJJZRGT-ZFWWWQNUSA-N 1 0 267.369 2.139 20 10 CECDRO CCOCc1cc(CNC2CC([NH+](C)C)C2)ccc1OC ZINC000848558205 642051702 /nfs/dbraw/zinc/05/17/02/642051702.db2.gz PFJOAFDXAPUZJW-UHFFFAOYSA-N 1 0 292.423 2.414 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000848565854 642056748 /nfs/dbraw/zinc/05/67/48/642056748.db2.gz NGANITLXJOVTLG-LLVKDONJSA-N 1 0 295.379 2.468 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000848565856 642057365 /nfs/dbraw/zinc/05/73/65/642057365.db2.gz NGANITLXJOVTLG-NSHDSACASA-N 1 0 295.379 2.468 20 10 CECDRO CCc1cccc(C[N@@H+]2CCOC3(CCOCC3)C2)c1O ZINC000848888887 642172940 /nfs/dbraw/zinc/17/29/40/642172940.db2.gz CLPWWEVRKOILIG-UHFFFAOYSA-N 1 0 291.391 2.336 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@H](C)O[C@H](COC)C2)c1O ZINC000848905155 642181723 /nfs/dbraw/zinc/18/17/23/642181723.db2.gz HVTVLUBQZGOPQU-WFASDCNBSA-N 1 0 279.380 2.190 20 10 CECDRO CCCN1C[C@H](C[NH2+]Cc2cccc(CC)c2O)CC1=O ZINC000848918313 642192397 /nfs/dbraw/zinc/19/23/97/642192397.db2.gz VTMCWFFVNSLHRS-ZDUSSCGKSA-N 1 0 290.407 2.303 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000848926055 642197147 /nfs/dbraw/zinc/19/71/47/642197147.db2.gz KGUDTURZCBVRHK-NSHDSACASA-N 1 0 295.379 2.468 20 10 CECDRO CCCNC(=[NH2+])NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849043410 642253180 /nfs/dbraw/zinc/25/31/80/642253180.db2.gz BZKZEIIJUKZOJY-ZDUSSCGKSA-N 1 0 290.411 2.045 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](COC)OC)cc1 ZINC000227705079 642315928 /nfs/dbraw/zinc/31/59/28/642315928.db2.gz OVXWXRQDABMLOG-INIZCTEOSA-N 1 0 280.412 2.284 20 10 CECDRO CN(C)c1ccc(CN(C)CC(C)(C)[NH3+])cc1F ZINC000849350139 642340196 /nfs/dbraw/zinc/34/01/96/642340196.db2.gz KZLHJYSOQJOQOR-UHFFFAOYSA-N 1 0 253.365 2.061 20 10 CECDRO CC1(C)CC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)O1 ZINC000189717672 642378563 /nfs/dbraw/zinc/37/85/63/642378563.db2.gz VNMUGNPIVZJVGF-LLVKDONJSA-N 1 0 279.336 2.168 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000877492245 650748779 /nfs/dbraw/zinc/74/87/79/650748779.db2.gz HSNKSEXXZBNMHX-XJKSGUPXSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(O)c1 ZINC000877514346 650760091 /nfs/dbraw/zinc/76/00/91/650760091.db2.gz KHIFFRBFVIOOQD-INIZCTEOSA-N 1 0 277.364 2.082 20 10 CECDRO CCOC1CC(C[NH2+]Cc2cccc(OC)c2O)C1 ZINC000877525590 650767065 /nfs/dbraw/zinc/76/70/65/650767065.db2.gz IRCADBGZQJLOPQ-UHFFFAOYSA-N 1 0 265.353 2.306 20 10 CECDRO O[C@H]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921793076 642624662 /nfs/dbraw/zinc/62/46/62/642624662.db2.gz SWBWQCBGTGQDIU-GJZGRUSLSA-N 1 0 261.365 2.262 20 10 CECDRO C=Cn1cc(C[NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000850345947 642675734 /nfs/dbraw/zinc/67/57/34/642675734.db2.gz AEFKXFPJGLAFNQ-OAHLLOKOSA-N 1 0 298.390 2.361 20 10 CECDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000850382101 642692088 /nfs/dbraw/zinc/69/20/88/642692088.db2.gz NJHXVVDRCDMCHH-NVXWUHKLSA-N 1 0 290.407 2.038 20 10 CECDRO Cn1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000850405878 642702577 /nfs/dbraw/zinc/70/25/77/642702577.db2.gz JAWFXXHFCOZFDJ-UHFFFAOYSA-N 1 0 299.418 2.276 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@]2(C)OC)c(O)c1 ZINC000850408656 642702722 /nfs/dbraw/zinc/70/27/22/642702722.db2.gz CFUKCWZCFZOCNH-KGLIPLIRSA-N 1 0 251.326 2.058 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000850547298 642748657 /nfs/dbraw/zinc/74/86/57/642748657.db2.gz SCZXARNURROYQT-SECBINFHSA-N 1 0 286.759 2.394 20 10 CECDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922171025 642933268 /nfs/dbraw/zinc/93/32/68/642933268.db2.gz FCMUXDCPDKDRCY-UHFFFAOYSA-N 1 0 276.380 2.016 20 10 CECDRO COC(OC)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922314699 643022647 /nfs/dbraw/zinc/02/26/47/643022647.db2.gz PQUHJDCBYCQLLR-LLVKDONJSA-N 1 0 265.353 2.109 20 10 CECDRO OC[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922341574 643040348 /nfs/dbraw/zinc/04/03/48/643040348.db2.gz SEYRQVJKKMUDJF-HZPDHXFCSA-N 1 0 291.391 2.031 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000877620982 650818022 /nfs/dbraw/zinc/81/80/22/650818022.db2.gz OPRPZXBABLVTOO-RHSMWYFYSA-N 1 0 290.407 2.433 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2COC[C@@H]2C)ccc1OC ZINC000922643502 643175568 /nfs/dbraw/zinc/17/55/68/643175568.db2.gz QQXBAHNJZYLDGS-WFASDCNBSA-N 1 0 279.380 2.356 20 10 CECDRO C[N@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000851841452 643187467 /nfs/dbraw/zinc/18/74/67/643187467.db2.gz SHOPSRWBEUNGJU-BPLDGKMQSA-N 1 0 288.391 2.271 20 10 CECDRO CCO[C@H](CNCc1ccc2c(c1)CCCO2)C[NH+](C)C ZINC000922752216 643241231 /nfs/dbraw/zinc/24/12/31/643241231.db2.gz BVPCSFAFOBFPQD-MRXNPFEDSA-N 1 0 292.423 2.068 20 10 CECDRO Cc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c(O)c1 ZINC000877637256 650827852 /nfs/dbraw/zinc/82/78/52/650827852.db2.gz GMCLRRGYDVDYMU-QGZVFWFLSA-N 1 0 293.407 2.358 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000877652493 650834720 /nfs/dbraw/zinc/83/47/20/650834720.db2.gz INBRISMUZNGBOH-JSGCOSHPSA-N 1 0 276.380 2.238 20 10 CECDRO CC[C@@H](C)[N@H+](CC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852293928 643382014 /nfs/dbraw/zinc/38/20/14/643382014.db2.gz UDSJRWGHAFVYRW-CQSZACIVSA-N 1 0 291.439 2.489 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)cc1 ZINC000852313385 643390104 /nfs/dbraw/zinc/39/01/04/643390104.db2.gz HNAANFBMQKYEDD-MRXNPFEDSA-N 1 0 299.422 2.256 20 10 CECDRO Oc1cc2c(cc1C[NH2+]Cc1cccc3c1OCC3)OCO2 ZINC000922944102 643468915 /nfs/dbraw/zinc/46/89/15/643468915.db2.gz JWJSHFZOENUFNV-UHFFFAOYSA-N 1 0 299.326 2.346 20 10 CECDRO CCC/C=C/C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792483 643553531 /nfs/dbraw/zinc/55/35/31/643553531.db2.gz XEVIEDZPDUWBHC-LQYUOIDQSA-N 1 0 275.396 2.225 20 10 CECDRO CCOc1ccc(C[N@H+](C)[C@@H]2CN3CCC2CC3)c(O)c1 ZINC000877707153 650862420 /nfs/dbraw/zinc/86/24/20/650862420.db2.gz YCYUEBLSMKJVCF-MRXNPFEDSA-N 1 0 290.407 2.317 20 10 CECDRO COC(=O)C[C@@](C)([NH2+]Cc1cccc(OC)c1O)C1CC1 ZINC000877707391 650863474 /nfs/dbraw/zinc/86/34/74/650863474.db2.gz RTQMOIYFFFXCMB-MRXNPFEDSA-N 1 0 293.363 2.222 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccn(C)n1 ZINC000840816410 644057456 /nfs/dbraw/zinc/05/74/56/644057456.db2.gz VZKJFOCCJIQVRG-GXFFZTMASA-N 1 0 257.337 2.464 20 10 CECDRO Oc1ccccc1C[N@H+](C[C@@H](O)C1CC1)C[C@H]1CCCO1 ZINC000838894863 644072404 /nfs/dbraw/zinc/07/24/04/644072404.db2.gz KNQPFHMZSYEWHP-NVXWUHKLSA-N 1 0 291.391 2.144 20 10 CECDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000839128327 644166946 /nfs/dbraw/zinc/16/69/46/644166946.db2.gz CPMMBNLPLAAXDG-UHFFFAOYSA-N 1 0 277.412 2.065 20 10 CECDRO Cc1cc(Cl)cc(C[NH+]2CC(CCO)C2)c1O ZINC000839137606 644171188 /nfs/dbraw/zinc/17/11/88/644171188.db2.gz BTXXNWMWDVMBNB-UHFFFAOYSA-N 1 0 255.745 2.168 20 10 CECDRO COc1cccc(O)c1C[NH+]1CCC(C(C)(C)O)CC1 ZINC000877754046 650898494 /nfs/dbraw/zinc/89/84/94/650898494.db2.gz SNWXJBOFYSUMOX-UHFFFAOYSA-N 1 0 279.380 2.384 20 10 CECDRO CCCn1cc(C[NH2+][C@H](C)c2ccccc2O)nn1 ZINC000877757273 650900032 /nfs/dbraw/zinc/90/00/32/650900032.db2.gz HOGIAUBOOAVQGJ-LLVKDONJSA-N 1 0 260.341 2.245 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCS1 ZINC000754872651 644444520 /nfs/dbraw/zinc/44/45/20/644444520.db2.gz OBGCQBJWNZYXLB-IINYFYTJSA-N 1 0 295.404 2.145 20 10 CECDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C1=CC(=O)CS1 ZINC000855899541 644521384 /nfs/dbraw/zinc/52/13/84/644521384.db2.gz OELTYCUGDGOWQO-NSHDSACASA-N 1 0 282.409 2.304 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756355141 644634162 /nfs/dbraw/zinc/63/41/62/644634162.db2.gz JMQLDYWDMHFPPD-WCABBAIRSA-N 1 0 280.343 2.194 20 10 CECDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000756526099 644658573 /nfs/dbraw/zinc/65/85/73/644658573.db2.gz FMDMJGYQXFWVBZ-CMPLNLGQSA-N 1 0 296.342 2.413 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCO[C@H](C)C2)c(O)c1C ZINC000756544474 644662123 /nfs/dbraw/zinc/66/21/23/644662123.db2.gz ISDYYOKZPGSMFO-HIFRSBDPSA-N 1 0 292.423 2.380 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756578587 644671817 /nfs/dbraw/zinc/67/18/17/644671817.db2.gz WXZYXXLMUYNJBH-SWLSCSKDSA-N 1 0 267.369 2.057 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H](O)C(C)C)c1 ZINC000756596911 644673613 /nfs/dbraw/zinc/67/36/13/644673613.db2.gz ILJCOMGYRURMTH-FZMZJTMJSA-N 1 0 267.369 2.458 20 10 CECDRO CCc1nncn1CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756620472 644675147 /nfs/dbraw/zinc/67/51/47/644675147.db2.gz KIASPUFCGJIFCH-SNVBAGLBSA-N 1 0 278.331 2.036 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCS(=O)(=O)CC2CC2)c1 ZINC000756763134 644690223 /nfs/dbraw/zinc/69/02/23/644690223.db2.gz UNFCDQBXJKPZOE-GFCCVEGCSA-N 1 0 297.420 2.176 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cn[nH]c1 ZINC000756996849 644716854 /nfs/dbraw/zinc/71/68/54/644716854.db2.gz RHESVJFYDRFWTM-SNVBAGLBSA-N 1 0 262.332 2.466 20 10 CECDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C2=CC(=O)CS2)C1 ZINC000839790516 644818032 /nfs/dbraw/zinc/81/80/32/644818032.db2.gz AXJLYXZHXQNOIM-JTQLQIEISA-N 1 0 268.382 2.008 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CCCn2ccnn2)c2c1c(F)ccc2O ZINC000757656502 644831866 /nfs/dbraw/zinc/83/18/66/644831866.db2.gz IXCQIBOMCZNEQF-PWSUYJOCSA-N 1 0 290.342 2.351 20 10 CECDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1cc(Cl)ccc1O)C2 ZINC000857226168 644858030 /nfs/dbraw/zinc/85/80/30/644858030.db2.gz GSDKSPAWYWWTLU-SMDDNHRTSA-N 1 0 266.772 2.359 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2OCC)c(O)c1 ZINC000759172291 644991717 /nfs/dbraw/zinc/99/17/17/644991717.db2.gz HLMKIUAHHDRULP-ZBFHGGJFSA-N 1 0 295.379 2.075 20 10 CECDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000759174910 644992582 /nfs/dbraw/zinc/99/25/82/644992582.db2.gz ZTDFIXSNHLWKOU-JSGCOSHPSA-N 1 0 285.771 2.329 20 10 CECDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1c(O)cccc1OC ZINC000858257017 645100942 /nfs/dbraw/zinc/10/09/42/645100942.db2.gz DOTRFJJDABBTPK-KGLIPLIRSA-N 1 0 251.326 2.058 20 10 CECDRO C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(Cl)cc1O ZINC000858435819 645158580 /nfs/dbraw/zinc/15/85/80/645158580.db2.gz UMFDFNHPJRQPII-JOYOIKCWSA-N 1 0 295.770 2.163 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000760886899 645207614 /nfs/dbraw/zinc/20/76/14/645207614.db2.gz OTPJDYHDOLMNGW-VZJVUDMVSA-N 1 0 283.343 2.376 20 10 CECDRO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1Cc1ccccc1O ZINC000761226853 645259040 /nfs/dbraw/zinc/25/90/40/645259040.db2.gz WCIWIBYZFFNMIQ-UHFFFAOYSA-N 1 0 288.391 2.225 20 10 CECDRO CCOc1ccc(C[N@H+](C)C[C@H]2CCCO2)c(O)c1 ZINC000761228959 645259408 /nfs/dbraw/zinc/25/94/08/645259408.db2.gz PIZISMGKHIRMPH-CQSZACIVSA-N 1 0 265.353 2.402 20 10 CECDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1ccccc1O ZINC000763621540 645561711 /nfs/dbraw/zinc/56/17/11/645561711.db2.gz DRNCWFVKFVVDKA-UHFFFAOYSA-N 1 0 276.380 2.130 20 10 CECDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000765797177 645811423 /nfs/dbraw/zinc/81/14/23/645811423.db2.gz QEBOBIMSHCLSKI-KBPBESRZSA-N 1 0 276.380 2.008 20 10 CECDRO COc1cccc(O)c1CN1CCC[N@@H+](C(C)C)CC1 ZINC000768137680 646089618 /nfs/dbraw/zinc/08/96/18/646089618.db2.gz MIRACMBKDDRGGR-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO CCOc1ccc(C[NH+]2CCC(CCO)CC2)c(O)c1 ZINC000768236892 646099037 /nfs/dbraw/zinc/09/90/37/646099037.db2.gz LGGSQOFOPBDTND-UHFFFAOYSA-N 1 0 279.380 2.385 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)Cc2cnn(C)c2)cc1C ZINC000768400968 646119552 /nfs/dbraw/zinc/11/95/52/646119552.db2.gz BWOBEOJNRGQKJT-ZDUSSCGKSA-N 1 0 273.380 2.458 20 10 CECDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000768404076 646120670 /nfs/dbraw/zinc/12/06/70/646120670.db2.gz USQNUELOECQGPQ-LBPRGKRZSA-N 1 0 271.364 2.076 20 10 CECDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000768404075 646120793 /nfs/dbraw/zinc/12/07/93/646120793.db2.gz USQNUELOECQGPQ-GFCCVEGCSA-N 1 0 271.364 2.076 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768438034 646122606 /nfs/dbraw/zinc/12/26/06/646122606.db2.gz OQQYSNPMFGOMRN-YGRLFVJLSA-N 1 0 263.337 2.050 20 10 CECDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC(C)C ZINC000768438536 646122815 /nfs/dbraw/zinc/12/28/15/646122815.db2.gz BHCUMIAITFTXGE-CQSZACIVSA-N 1 0 265.353 2.296 20 10 CECDRO C[C@@H]1SCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1C ZINC000768447253 646123949 /nfs/dbraw/zinc/12/39/49/646123949.db2.gz NSLHLZGKBNIORS-PKFCDNJMSA-N 1 0 295.404 2.144 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC)c(O)c1 ZINC000768878790 646178420 /nfs/dbraw/zinc/17/84/20/646178420.db2.gz SCVCATLTUNZJLR-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000769032782 646194846 /nfs/dbraw/zinc/19/48/46/646194846.db2.gz GCSACLRMEXTMKA-LBPRGKRZSA-N 1 0 265.353 2.402 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)c(O)c1 ZINC000769333280 646247266 /nfs/dbraw/zinc/24/72/66/646247266.db2.gz JDCORKALGWMJGA-ZDUSSCGKSA-N 1 0 279.380 2.385 20 10 CECDRO OCCC[N@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000769404612 646261036 /nfs/dbraw/zinc/26/10/36/646261036.db2.gz MFFMOTRJPCGYEF-UHFFFAOYSA-N 1 0 255.745 2.392 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)Cc2cn[nH]c2)c1 ZINC000769427302 646265115 /nfs/dbraw/zinc/26/51/15/646265115.db2.gz XLZUEVYAZUNNQZ-UHFFFAOYSA-N 1 0 261.325 2.146 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000769451871 646268356 /nfs/dbraw/zinc/26/83/56/646268356.db2.gz NWQDOJBGISCRIS-VXGBXAGGSA-N 1 0 265.353 2.136 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCCOC(C)(C)C1 ZINC000769463867 646272451 /nfs/dbraw/zinc/27/24/51/646272451.db2.gz RKLSPMHUYORBRB-UHFFFAOYSA-N 1 0 265.353 2.402 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)[C@H]1CO ZINC000862336871 646403599 /nfs/dbraw/zinc/40/35/99/646403599.db2.gz MXJLPVKBOOVBDL-BONVTDFDSA-N 1 0 284.350 2.234 20 10 CECDRO COc1cc(C[N@H+](C)CCc2cnccn2)c(O)cc1C ZINC000770662266 646423193 /nfs/dbraw/zinc/42/31/93/646423193.db2.gz RNKLFFZLOBHFRK-UHFFFAOYSA-N 1 0 287.363 2.174 20 10 CECDRO CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)[C@H](C)CO ZINC000862375438 646424463 /nfs/dbraw/zinc/42/44/63/646424463.db2.gz PGZZRBQOLZGGAS-SNVBAGLBSA-N 1 0 272.339 2.234 20 10 CECDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000862387152 646431390 /nfs/dbraw/zinc/43/13/90/646431390.db2.gz HTDBINNHWCKLLL-LBPRGKRZSA-N 1 0 268.376 2.485 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1F ZINC000862416059 646450995 /nfs/dbraw/zinc/45/09/95/646450995.db2.gz LOSMWPMYIGVAOA-MLGOLLRUSA-N 1 0 296.361 2.499 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000862465740 646470184 /nfs/dbraw/zinc/47/01/84/646470184.db2.gz KWAJEJBYFRFFPQ-ZDUSSCGKSA-N 1 0 261.321 2.052 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)c1 ZINC000862478444 646473096 /nfs/dbraw/zinc/47/30/96/646473096.db2.gz HNYJHEACJCTIHS-LBPRGKRZSA-N 1 0 297.420 2.004 20 10 CECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000862487298 646478829 /nfs/dbraw/zinc/47/88/29/646478829.db2.gz OAYHCRFJOANEEO-ZDUSSCGKSA-N 1 0 261.321 2.134 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCO[C@@](C)(COC)C2)c(O)c1 ZINC000862552487 646497297 /nfs/dbraw/zinc/49/72/97/646497297.db2.gz ZZOSEYOJXMRTMS-MRXNPFEDSA-N 1 0 295.379 2.028 20 10 CECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCC(=O)N1 ZINC000771791292 646550518 /nfs/dbraw/zinc/55/05/18/646550518.db2.gz LZIKGGAUOXQBDW-OAHLLOKOSA-N 1 0 289.423 2.242 20 10 CECDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(C)ccc1O ZINC000862759261 646559358 /nfs/dbraw/zinc/55/93/58/646559358.db2.gz ZOMLGUMTNGXDIH-CQSZACIVSA-N 1 0 276.380 2.191 20 10 CECDRO CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(F)cc1[O-] ZINC000863542157 646751682 /nfs/dbraw/zinc/75/16/82/646751682.db2.gz SHYTVBWLAIXUOK-CYBMUJFWSA-N 1 0 282.359 2.080 20 10 CECDRO CC[C@H]([NH2+]CCOCC[NH2+]C)c1cccc(Cl)c1[O-] ZINC000863544511 646753134 /nfs/dbraw/zinc/75/31/34/646753134.db2.gz WFVRUOVUKNZILY-ZDUSSCGKSA-N 1 0 286.803 2.322 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)NC)cc1 ZINC000773748656 646771852 /nfs/dbraw/zinc/77/18/52/646771852.db2.gz QDAWLROWQPDCNA-INIZCTEOSA-N 1 0 289.423 2.243 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccnn1C ZINC000774161434 646812211 /nfs/dbraw/zinc/81/22/11/646812211.db2.gz NBGIBFJAXKPGGZ-NSHDSACASA-N 1 0 257.337 2.206 20 10 CECDRO C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc(N(C)C)cc1 ZINC000863906743 646846356 /nfs/dbraw/zinc/84/63/56/646846356.db2.gz VUEFZFZLABAOCE-CYBMUJFWSA-N 1 0 289.423 2.414 20 10 CECDRO Cc1ccc(O)c(CNC(=[NH2+])N2CCC(C)CC2)c1 ZINC000864356437 646976507 /nfs/dbraw/zinc/97/65/07/646976507.db2.gz OKGZIMSUODMTAR-UHFFFAOYSA-N 1 0 261.369 2.457 20 10 CECDRO C[C@H]([NH2+]CC(=O)NCC1CCC1)c1ccc(N(C)C)cc1 ZINC000775832017 646997122 /nfs/dbraw/zinc/99/71/22/646997122.db2.gz WHZLIWICJBHNMI-ZDUSSCGKSA-N 1 0 289.423 2.320 20 10 CECDRO C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000775834279 646997794 /nfs/dbraw/zinc/99/77/94/646997794.db2.gz MUAZSSHDCVXCCT-GXTWGEPZSA-N 1 0 276.380 2.356 20 10 CECDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCc1c(O)ccc2c1CCCC2 ZINC000864460802 647015455 /nfs/dbraw/zinc/01/54/55/647015455.db2.gz KCNLGFKONQYXIY-HZMBPMFUSA-N 1 0 273.380 2.293 20 10 CECDRO COc1cc(O)c(C[NH2+]CCOC2CCC2)cc1OC ZINC000776223254 647038247 /nfs/dbraw/zinc/03/82/47/647038247.db2.gz TUHHVQNULPVGEY-UHFFFAOYSA-N 1 0 281.352 2.068 20 10 CECDRO COc1cc(O)c(C[NH2+]C2(C3CC3)CC2)cc1OC ZINC000776231714 647040142 /nfs/dbraw/zinc/04/01/42/647040142.db2.gz GNROITYISHVSOM-UHFFFAOYSA-N 1 0 263.337 2.442 20 10 CECDRO Cc1cccc(C[NH2+]C[C@H](CO)Cc2ccco2)c1O ZINC000776247954 647041913 /nfs/dbraw/zinc/04/19/13/647041913.db2.gz HJZZEMRLGLTNFV-CYBMUJFWSA-N 1 0 275.348 2.234 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@](C)(CO)COC)cc1F ZINC000777483797 647140134 /nfs/dbraw/zinc/14/01/34/647140134.db2.gz ZXJKEFPDCJKNKP-INIZCTEOSA-N 1 0 298.402 2.159 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CC[C@@H](O)C(F)F)cc1 ZINC000865688218 647423156 /nfs/dbraw/zinc/42/31/56/647423156.db2.gz VQLAWFKOZNRHJL-RDFMZFSFSA-N 1 0 284.350 2.372 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1 ZINC000865693268 647426664 /nfs/dbraw/zinc/42/66/64/647426664.db2.gz OQIZLBSJUPDBQD-OEWFIBSQSA-N 1 0 289.375 2.304 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1 ZINC000865694645 647427759 /nfs/dbraw/zinc/42/77/59/647427759.db2.gz VEBNVPOTCSOBAO-KYAUXOHTSA-N 1 0 259.349 2.214 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c1O ZINC000865694642 647427812 /nfs/dbraw/zinc/42/78/12/647427812.db2.gz VDVRMGSRZFJTGY-QMHOLRBPSA-N 1 0 289.375 2.304 20 10 CECDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000780891917 647477687 /nfs/dbraw/zinc/47/76/87/647477687.db2.gz CNROCUNZDTVTPT-HIFRSBDPSA-N 1 0 262.397 2.345 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000783518692 647723617 /nfs/dbraw/zinc/72/36/17/647723617.db2.gz NQWFHYGNYOOFQQ-RYUDHWBXSA-N 1 0 253.342 2.094 20 10 CECDRO C[C@@H]([NH2+]CCCNc1ncccn1)c1ccccc1O ZINC000783519490 647723933 /nfs/dbraw/zinc/72/39/33/647723933.db2.gz LUCPDNMBDJBQKA-GFCCVEGCSA-N 1 0 272.352 2.335 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@H]([NH3+])C[C@H]2C)c1O ZINC000866684006 647867333 /nfs/dbraw/zinc/86/73/33/647867333.db2.gz UIXCNYRFRFXZPS-PRHODGIISA-N 1 0 282.771 2.170 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)OC)c(O)c1 ZINC000786169125 647990813 /nfs/dbraw/zinc/99/08/13/647990813.db2.gz QTNDJKHPNOCGJQ-WDEREUQCSA-N 1 0 253.342 2.304 20 10 CECDRO CC[N@H+](CCNC(=O)N[C@H](C)c1ccccc1O)C1CC1 ZINC000868218825 648075555 /nfs/dbraw/zinc/07/55/55/648075555.db2.gz LYMUYWCNQYDPND-GFCCVEGCSA-N 1 0 291.395 2.237 20 10 CECDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCC1)c1ccccc1O ZINC000868525760 648158358 /nfs/dbraw/zinc/15/83/58/648158358.db2.gz CMKXRBPAHGBOCT-GFCCVEGCSA-N 1 0 291.395 2.237 20 10 CECDRO COc1cccc(C[N@H+](C)Cc2cnn(C)c2C)c1O ZINC000790938817 648462782 /nfs/dbraw/zinc/46/27/82/648462782.db2.gz VLJMTHIIHMBUEZ-UHFFFAOYSA-N 1 0 275.352 2.075 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)C(F)(F)F)cc1C ZINC000790999716 648470972 /nfs/dbraw/zinc/47/09/72/648470972.db2.gz HMKBXOQPENUJJY-LLVKDONJSA-N 1 0 263.259 2.022 20 10 CECDRO CO[C@]1(C[NH2+][C@H](C)c2cc(C)ccc2O)CCOC1 ZINC000123156626 648825343 /nfs/dbraw/zinc/82/53/43/648825343.db2.gz ONORRWYVXNLKIO-DOMZBBRYSA-N 1 0 265.353 2.157 20 10 CECDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202300 649030574 /nfs/dbraw/zinc/03/05/74/649030574.db2.gz CPJKRBHAEDCVBM-VXGBXAGGSA-N 1 0 274.364 2.107 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1O ZINC000872113167 649281474 /nfs/dbraw/zinc/28/14/74/649281474.db2.gz MSEUUERGRHHXIP-RYUDHWBXSA-N 1 0 293.363 2.395 20 10 CECDRO C[N@@H+]1CCN(Cc2cc3c(cc2O)OCO3)CCC1(C)C ZINC000872694822 649457738 /nfs/dbraw/zinc/45/77/38/649457738.db2.gz PEPCBRBTWHBJPE-UHFFFAOYSA-N 1 0 292.379 2.037 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCC3(CCNC3=O)CC2)cc1C ZINC000872787719 649491453 /nfs/dbraw/zinc/49/14/53/649491453.db2.gz GREJDGKKDIQOGE-UHFFFAOYSA-N 1 0 288.391 2.111 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H]2CCCNC2=O)cc1C ZINC000873031179 649536741 /nfs/dbraw/zinc/53/67/41/649536741.db2.gz QDOJJDRFPIYZJX-AWEZNQCLSA-N 1 0 276.380 2.152 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873155922 649573461 /nfs/dbraw/zinc/57/34/61/649573461.db2.gz IJHIKVCNXZYUGX-XUJVJEKNSA-N 1 0 277.364 2.448 20 10 CECDRO C[C@]12C[NH2+]C[C@H]1CN(Cc1c([O-])ccc(Cl)c1F)C2 ZINC000873228850 649599798 /nfs/dbraw/zinc/59/97/98/649599798.db2.gz JVGPNMOODSJBFL-LKFCYVNXSA-N 1 0 284.762 2.226 20 10 CECDRO C[N@@H+]1CC[C@H](CC(=O)NCCCSc2nccs2)C1 ZINC000874464893 649778801 /nfs/dbraw/zinc/77/88/01/649778801.db2.gz MTIOIHJPFGKXDF-LLVKDONJSA-N 1 0 299.465 2.083 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCO[C@H]2C)cc1 ZINC000878805378 651189361 /nfs/dbraw/zinc/18/93/61/651189361.db2.gz KTVIJBHXZOJCJC-LSDHHAIUSA-N 1 0 292.423 2.488 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NCc1cccs1)c1ccccc1O ZINC000879648109 651335006 /nfs/dbraw/zinc/33/50/06/651335006.db2.gz YSVCXKSIASWCCS-LLVKDONJSA-N 1 0 290.388 2.421 20 10 CECDRO C[C@@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccccc1O ZINC000879648438 651335091 /nfs/dbraw/zinc/33/50/91/651335091.db2.gz PAWXIJJDTKIVSM-SNVBAGLBSA-N 1 0 291.376 2.162 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)CC1(CO)CCCC1)c1ccccc1O ZINC000879650217 651335597 /nfs/dbraw/zinc/33/55/97/651335597.db2.gz PZKBAANYHMVHOY-KGLIPLIRSA-N 1 0 293.407 2.347 20 10 CECDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NCC(F)(F)F ZINC000879651922 651336143 /nfs/dbraw/zinc/33/61/43/651336143.db2.gz PFPFIZLKWUJDDJ-IUCAKERBSA-N 1 0 290.285 2.110 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C)cc1 ZINC000880137162 651389521 /nfs/dbraw/zinc/38/95/21/651389521.db2.gz YZSXKGMMSLKUFS-IAGOWNOFSA-N 1 0 273.424 2.421 20 10 CECDRO CCOc1cccc(C[NH2+]CC[C@@H](C)[S@](C)=O)c1O ZINC000129335828 651918361 /nfs/dbraw/zinc/91/83/61/651918361.db2.gz TVMOTDHZALTPLP-NSPYISDASA-N 1 0 285.409 2.038 20 10 CECDRO CN(C)c1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000883075962 652356210 /nfs/dbraw/zinc/35/62/10/652356210.db2.gz QCOVGLKLYOUJSF-UHFFFAOYSA-N 1 0 293.317 2.421 20 10 CECDRO CON(C)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000883173095 652389036 /nfs/dbraw/zinc/38/90/36/652389036.db2.gz CDMDAKQKNJYKSB-UHFFFAOYSA-N 1 0 277.412 2.260 20 10 CECDRO CC1(C)CC[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)OC1 ZINC000883243757 652412747 /nfs/dbraw/zinc/41/27/47/652412747.db2.gz WSVRMONWKCQKPX-GFCCVEGCSA-N 1 0 293.363 2.416 20 10 CECDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000883316664 652430253 /nfs/dbraw/zinc/43/02/53/652430253.db2.gz GXJBHYNZVSEVNG-BETUJISGSA-N 1 0 266.360 2.406 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCCC[C@H]2CO)c1O ZINC000133823871 652727619 /nfs/dbraw/zinc/72/76/19/652727619.db2.gz FOGWDSRFKUGJMM-AWEZNQCLSA-N 1 0 295.354 2.471 20 10 CECDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000884180410 652743834 /nfs/dbraw/zinc/74/38/34/652743834.db2.gz XYNSOIAUZRZNKG-OAHLLOKOSA-N 1 0 291.439 2.378 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC[S@@](C)=O)cc1 ZINC000134742592 652871890 /nfs/dbraw/zinc/87/18/90/652871890.db2.gz XTXBWMGLCKSYQI-SFHVURJKSA-N 1 0 268.426 2.001 20 10 CECDRO CCCN(CCC)c1ccc(C[NH2+][C@H](C)C(N)=O)cc1 ZINC000135940343 653018392 /nfs/dbraw/zinc/01/83/92/653018392.db2.gz ODEPWMVHGYCBTI-CYBMUJFWSA-N 1 0 277.412 2.276 20 10 CECDRO Oc1cc(Cl)c(Cl)cc1CN1CCC[NH2+]CC1 ZINC001204684142 806040942 /nfs/dbraw/zinc/04/09/42/806040942.db2.gz GHFWYNDAIQVSJM-UHFFFAOYSA-N 1 0 275.179 2.494 20 10 CECDRO CC(C)(C)c1ccc(CN2CCC[NH2+]CC2)c(O)c1 ZINC001204685180 806067511 /nfs/dbraw/zinc/06/75/11/806067511.db2.gz WIPFOSVDFNLMSQ-UHFFFAOYSA-N 1 0 262.397 2.485 20 10 CECDRO CC[N@@H+]1CCN(Cc2cc(F)c(F)cc2O)C[C@H]1C ZINC001142534246 806623351 /nfs/dbraw/zinc/62/33/51/806623351.db2.gz BDRPTKQUNYLOOI-SNVBAGLBSA-N 1 0 270.323 2.196 20 10 CECDRO C[C@@H]1CN(Cc2c(O)cccc2Br)C[C@@H](C)[NH2+]1 ZINC000706855313 802842776 /nfs/dbraw/zinc/84/27/76/802842776.db2.gz BXSWPHKTPCJKIY-NXEZZACHSA-N 1 0 299.212 2.337 20 10 CECDRO CC[N@H+](Cc1cccc(OC)c1O)[C@@H]1CCCOC1 ZINC000402728975 802864027 /nfs/dbraw/zinc/86/40/27/802864027.db2.gz JNROGPYAYRFJAU-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(C)c[nH]2)c1 ZINC000693511383 803015550 /nfs/dbraw/zinc/01/55/50/803015550.db2.gz IRGFHFUUEKRKCL-JTQLQIEISA-N 1 0 261.325 2.283 20 10 CECDRO COc1ccc(C[NH2+]C2CC(CNC(C)=O)C2)cc1C ZINC001090890153 813871747 /nfs/dbraw/zinc/87/17/47/813871747.db2.gz RUTOTESIQNFDRY-UHFFFAOYSA-N 1 0 276.380 2.008 20 10 CECDRO COC[C@H](CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000694362279 803539631 /nfs/dbraw/zinc/53/96/31/803539631.db2.gz VQWBFQVFWCYXLX-BBRMVZONSA-N 1 0 280.412 2.455 20 10 CECDRO CN(C)c1ccc(CN2CC([NH+](C)C)C2)c(Cl)c1 ZINC001140921480 803606140 /nfs/dbraw/zinc/60/61/40/803606140.db2.gz FIXWEVUMVFZJTK-UHFFFAOYSA-N 1 0 267.804 2.152 20 10 CECDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2O)C1=O ZINC000722355837 804353121 /nfs/dbraw/zinc/35/31/21/804353121.db2.gz HFARTLFKRFEZTR-GXFFZTMASA-N 1 0 280.343 2.193 20 10 CECDRO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1=O ZINC000722361528 804382442 /nfs/dbraw/zinc/38/24/42/804382442.db2.gz MUQVIBMPDBLDLI-OCCSQVGLSA-N 1 0 276.380 2.362 20 10 CECDRO CCN(CC)c1ccc(CN2CCC[NH2+]CC2)c(O)c1 ZINC001204667841 804389472 /nfs/dbraw/zinc/38/94/72/804389472.db2.gz OTWGPCPFWVULSE-UHFFFAOYSA-N 1 0 277.412 2.034 20 10 CECDRO CC1(CC[NH2+][C@H]2CCc3cccc(O)c32)OCCO1 ZINC000716044965 815017472 /nfs/dbraw/zinc/01/74/72/815017472.db2.gz OVICDUYKGQRABI-LBPRGKRZSA-N 1 0 263.337 2.122 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC001118808227 815047181 /nfs/dbraw/zinc/04/71/81/815047181.db2.gz PNERKTMYFIPHAD-AYRXBEOTSA-N 1 0 291.391 2.378 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+]CCn1ccnc1 ZINC000691478102 807896078 /nfs/dbraw/zinc/89/60/78/807896078.db2.gz VRDZPENPXISWEN-UHFFFAOYSA-N 1 0 296.168 2.141 20 10 CECDRO CC(C)(C)c1ccc(O)c(CN2C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001236290260 808047488 /nfs/dbraw/zinc/04/74/88/808047488.db2.gz JLYIWYTWVUEVQX-OCCSQVGLSA-N 1 0 260.381 2.093 20 10 CECDRO Oc1ccc(Cl)c(Cl)c1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236297922 808056672 /nfs/dbraw/zinc/05/66/72/808056672.db2.gz UELSVFNSGHLVPT-GMSGAONNSA-N 1 0 273.163 2.103 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@](C)(CO)C2)c(Cl)c1 ZINC001236797436 808166775 /nfs/dbraw/zinc/16/67/75/808166775.db2.gz DYXFUFHEMSJEFT-CQSZACIVSA-N 1 0 285.771 2.259 20 10 CECDRO Cc1cc(F)cc(C[N@H+]2C[C@H](O)CC[C@H]2C)c1O ZINC001238057211 808292967 /nfs/dbraw/zinc/29/29/67/808292967.db2.gz JMUUKZDWFKTJNG-ZWNOBZJWSA-N 1 0 253.317 2.185 20 10 CECDRO CN1CC[N@H+](Cc2ccc(N)cc2)Cc2cccnc21 ZINC001120268515 815209583 /nfs/dbraw/zinc/20/95/83/815209583.db2.gz HCQXWSWCZDAITH-UHFFFAOYSA-N 1 0 268.364 2.116 20 10 CECDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc(C(F)(F)F)c1O ZINC001205197308 808485876 /nfs/dbraw/zinc/48/58/76/808485876.db2.gz KQWNHXXYKPIMMQ-LDYMZIIASA-N 1 0 274.286 2.333 20 10 CECDRO Oc1ccc(C[NH2+][C@@H]2Cc3cccc(F)c3C2)c(O)c1 ZINC001171778872 815231775 /nfs/dbraw/zinc/23/17/75/815231775.db2.gz XFXRDBGBFVFDCS-GFCCVEGCSA-N 1 0 273.307 2.494 20 10 CECDRO CCOC(=O)[C@H](CC)N1CCCc2cc(C[NH3+])ccc21 ZINC000700969738 809375020 /nfs/dbraw/zinc/37/50/20/809375020.db2.gz OLWZMWTVPFUOFQ-AWEZNQCLSA-N 1 0 276.380 2.240 20 10 CECDRO C[C@@H](O)CCC[NH2+]Cc1ccc(Br)cc1O ZINC000701013146 809379829 /nfs/dbraw/zinc/37/98/29/809379829.db2.gz BJDCYMRJWSUCDA-SECBINFHSA-N 1 0 288.185 2.405 20 10 CECDRO CCO[C@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000701661413 809448782 /nfs/dbraw/zinc/44/87/82/809448782.db2.gz KNKMSLLCJBRWLZ-LBPRGKRZSA-N 1 0 251.326 2.012 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](OC)C2)c1 ZINC000706491279 809827455 /nfs/dbraw/zinc/82/74/55/809827455.db2.gz HUOJZMHSDSFFMO-NHCYSSNCSA-N 1 0 251.326 2.229 20 10 CECDRO Cn1cc(C[NH2+]Cc2c(O)cccc2Br)cn1 ZINC000706809141 809855971 /nfs/dbraw/zinc/85/59/71/809855971.db2.gz NLKIASKDTMGDOO-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO COc1cc(Cl)cc(CN2CCC(C)([NH3+])CC2)c1O ZINC000707778615 809918087 /nfs/dbraw/zinc/91/80/87/809918087.db2.gz BIRJUJGNOGJEOT-UHFFFAOYSA-N 1 0 284.787 2.367 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000708381440 809928527 /nfs/dbraw/zinc/92/85/27/809928527.db2.gz AUVITDCDMHHUTB-CQSZACIVSA-N 1 0 269.291 2.283 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC001118221453 810116702 /nfs/dbraw/zinc/11/67/02/810116702.db2.gz CZOJXLRSVATGBR-INIZCTEOSA-N 1 0 289.423 2.209 20 10 CECDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000278723767 810706844 /nfs/dbraw/zinc/70/68/44/810706844.db2.gz LFNGTQKPBQYGGJ-DGCLKSJQSA-N 1 0 279.336 2.168 20 10 CECDRO CCc1cccc(C[NH2+][C@H](CCOC)COC)c1O ZINC000691442185 811765525 /nfs/dbraw/zinc/76/55/25/811765525.db2.gz AMRJSZMGPUSXOP-CQSZACIVSA-N 1 0 267.369 2.096 20 10 CECDRO CCc1cccc(C[NH2+]CCCOCCOC)c1O ZINC000691442726 811765587 /nfs/dbraw/zinc/76/55/87/811765587.db2.gz CRHSUZSDZUDQPC-UHFFFAOYSA-N 1 0 267.369 2.097 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](CCOC)COC)c1O ZINC000691442182 811766004 /nfs/dbraw/zinc/76/60/04/811766004.db2.gz AMRJSZMGPUSXOP-AWEZNQCLSA-N 1 0 267.369 2.096 20 10 CECDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000691455876 811861537 /nfs/dbraw/zinc/86/15/37/811861537.db2.gz RTDQSOCOTUHEFF-BDAKNGLRSA-N 1 0 288.185 2.261 20 10 CECDRO C[C@H]([NH3+])c1ccc(NCc2ccc(O)c(O)c2)cn1 ZINC001169997480 811880677 /nfs/dbraw/zinc/88/06/77/811880677.db2.gz YZPRTAQEZOCJLG-VIFPVBQESA-N 1 0 259.309 2.125 20 10 CECDRO CN1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000691490864 811957487 /nfs/dbraw/zinc/95/74/87/811957487.db2.gz YQKQSQJSVJUHBO-GFCCVEGCSA-N 1 0 299.212 2.339 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCN2C(C)(C)C)c1O ZINC000690389839 811971019 /nfs/dbraw/zinc/97/10/19/811971019.db2.gz GLHWCYORRYLBFJ-CYBMUJFWSA-N 1 0 278.396 2.363 20 10 CECDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2O)CC1 ZINC001172777336 815518513 /nfs/dbraw/zinc/51/85/13/815518513.db2.gz PRSODUAFJGSOCW-WCQYABFASA-N 1 0 293.363 2.309 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001170523772 812619938 /nfs/dbraw/zinc/61/99/38/812619938.db2.gz INPVWBKGCYDQTQ-OLZOCXBDSA-N 1 0 277.364 2.440 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)C[C@H]2C)c1O ZINC000384957719 813125824 /nfs/dbraw/zinc/12/58/24/813125824.db2.gz RCWKPYKVBCRYOH-PELKAZGASA-N 1 0 283.755 2.203 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H](C)O ZINC000386816559 813191496 /nfs/dbraw/zinc/19/14/96/813191496.db2.gz SRQAISCJMMLULQ-LDYMZIIASA-N 1 0 288.185 2.404 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@](C)(C[NH3+])C2)c1O ZINC000388370376 813237343 /nfs/dbraw/zinc/23/73/43/813237343.db2.gz KPVWDMYWJKDANJ-CQSZACIVSA-N 1 0 284.787 2.225 20 10 CECDRO CCCN1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000389440439 813251602 /nfs/dbraw/zinc/25/16/02/813251602.db2.gz NPULIUGJFKHBSJ-ZDUSSCGKSA-N 1 0 252.333 2.105 20 10 CECDRO CC(C)OCC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000396483119 813569490 /nfs/dbraw/zinc/56/94/90/813569490.db2.gz MTTIYDSWLCUGPT-UHFFFAOYSA-N 1 0 281.352 2.414 20 10 CECDRO C[C@H](CCO)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000397612624 813629878 /nfs/dbraw/zinc/62/98/78/813629878.db2.gz CVYFQOSXTIBIPJ-ZDUSSCGKSA-N 1 0 250.386 2.251 20 10 CECDRO CNC(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000398514118 813675881 /nfs/dbraw/zinc/67/58/81/813675881.db2.gz RJCSVQNQCIISTM-CYBMUJFWSA-N 1 0 284.359 2.113 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1O ZINC000398774041 813684131 /nfs/dbraw/zinc/68/41/31/813684131.db2.gz BCDLTAGMJSOHOC-ZYHUDNBSSA-N 1 0 295.354 2.184 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c(O)c1 ZINC001144504472 814092635 /nfs/dbraw/zinc/09/26/35/814092635.db2.gz RJLMYCAXDSMTGB-MNOVXSKESA-N 1 0 263.337 2.425 20 10 CECDRO CC[NH+](CC)C1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144509319 814098629 /nfs/dbraw/zinc/09/86/29/814098629.db2.gz SLYPEAIESKURAV-UHFFFAOYSA-N 1 0 294.395 2.110 20 10 CECDRO CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000693487967 814621801 /nfs/dbraw/zinc/62/18/01/814621801.db2.gz FASIDCGWRCGREL-GFCCVEGCSA-N 1 0 297.420 2.319 20 10 CECDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1c(F)ccc(F)c1[O-] ZINC001139682707 814727750 /nfs/dbraw/zinc/72/77/50/814727750.db2.gz BGTUSBJWATVOKL-HZMBPMFUSA-N 1 0 282.334 2.196 20 10 CECDRO OC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116436769 814853339 /nfs/dbraw/zinc/85/33/39/814853339.db2.gz AQEHSHMFBWZBHR-MRXNPFEDSA-N 1 0 260.381 2.244 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c(O)c1 ZINC000713480343 814858900 /nfs/dbraw/zinc/85/89/00/814858900.db2.gz HRFXCZQJGRTXCJ-CABCVRRESA-N 1 0 277.364 2.448 20 10 CECDRO CCOc1ccc(N2CC[NH+](C[C@@H](C)OC)CC2)cc1 ZINC001116533558 814860943 /nfs/dbraw/zinc/86/09/43/814860943.db2.gz BUACLFCZHUGADN-CQSZACIVSA-N 1 0 278.396 2.242 20 10 CECDRO COC(=O)CCCC[C@@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC001173440469 815717375 /nfs/dbraw/zinc/71/73/75/815717375.db2.gz HKYAVBCXOXUKAA-LLVKDONJSA-N 1 0 281.352 2.309 20 10 CECDRO COC(=O)c1cccc(O)c1Nc1cc[nH+]cc1C ZINC001174539340 816026016 /nfs/dbraw/zinc/02/60/16/816026016.db2.gz CPIKITIEKJETFC-UHFFFAOYSA-N 1 0 258.277 2.048 20 10 CECDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(N(C)C)c(C)c1 ZINC001139673402 816078065 /nfs/dbraw/zinc/07/80/65/816078065.db2.gz BJURNLPTDZQWEU-HOTGVXAUSA-N 1 0 273.424 2.339 20 10 CECDRO Cc1cc(C[N@@H+]2CCC3(CN(C)C3)C2)ccc1N(C)C ZINC001139673866 816078759 /nfs/dbraw/zinc/07/87/59/816078759.db2.gz LQGYDVMGTXYHDW-UHFFFAOYSA-N 1 0 273.424 2.199 20 10 CECDRO CC(C)(C(N)=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140055450 816179744 /nfs/dbraw/zinc/17/97/44/816179744.db2.gz ZJQHGFWRIFYVDJ-UHFFFAOYSA-N 1 0 294.370 2.255 20 10 CECDRO Oc1ccc(F)cc1CN1CCC([NH+]2CCC2)CC1 ZINC001140056466 816179768 /nfs/dbraw/zinc/17/97/68/816179768.db2.gz YCBRIZCRZGBHDZ-UHFFFAOYSA-N 1 0 264.344 2.201 20 10 CECDRO COC(=O)[C@H]1CCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140178404 816204780 /nfs/dbraw/zinc/20/47/80/816204780.db2.gz KTGHTUMALUJOOK-CYBMUJFWSA-N 1 0 263.337 2.146 20 10 CECDRO COC[C@]12COC[C@H]1C[N@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140181823 816205530 /nfs/dbraw/zinc/20/55/30/816205530.db2.gz XSICUKRGVLCYBE-RHSMWYFYSA-N 1 0 291.391 2.104 20 10 CECDRO CC[NH+]1CCN(c2ccc(CN3CC(C)(F)C3)cc2)CC1 ZINC001140302474 816227160 /nfs/dbraw/zinc/22/71/60/816227160.db2.gz RSVJPEZRDREPSP-UHFFFAOYSA-N 1 0 291.414 2.372 20 10 CECDRO CC[N@H+](CCCC(=O)OC)Cc1ccc(O)c(C)c1O ZINC001140742437 816339255 /nfs/dbraw/zinc/33/92/55/816339255.db2.gz OHZOZHLUISJUCE-UHFFFAOYSA-N 1 0 281.352 2.181 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CC3(C2)CCCOC3)c1O ZINC001140743836 816339588 /nfs/dbraw/zinc/33/95/88/816339588.db2.gz AXNBLGNSMPBOFK-UHFFFAOYSA-N 1 0 263.337 2.019 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c1O ZINC001140743980 816339819 /nfs/dbraw/zinc/33/98/19/816339819.db2.gz HENWHECURFEDHQ-MRXNPFEDSA-N 1 0 279.380 2.389 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCOC[C@H]2C2CC2)c1O ZINC001140747750 816341223 /nfs/dbraw/zinc/34/12/23/816341223.db2.gz LECFDRJNPFLSGB-ZDUSSCGKSA-N 1 0 263.337 2.017 20 10 CECDRO CC[C@@H]1COCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140749194 816343929 /nfs/dbraw/zinc/34/39/29/816343929.db2.gz QZHJNZWNLYPDDW-GFCCVEGCSA-N 1 0 251.326 2.017 20 10 CECDRO CO[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)C[C@@H]1OC ZINC001140921626 816411085 /nfs/dbraw/zinc/41/10/85/816411085.db2.gz LDWJFDNLOQOABJ-GASCZTMLSA-N 1 0 298.814 2.252 20 10 CECDRO [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001206623889 816418199 /nfs/dbraw/zinc/41/81/99/816418199.db2.gz QNLPVCZEQAZOAM-JTQLQIEISA-N 1 0 270.323 2.231 20 10 CECDRO COc1cc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(OC)c1 ZINC001141028978 816451080 /nfs/dbraw/zinc/45/10/80/816451080.db2.gz GCJRZDFVGWUQEG-BETUJISGSA-N 1 0 277.364 2.497 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c(OC)c1 ZINC001141031973 816452883 /nfs/dbraw/zinc/45/28/83/816452883.db2.gz OWKAIPLMMASILJ-BZNIZROVSA-N 1 0 295.379 2.002 20 10 CECDRO CN1CCOc2cc(C[NH+]3CC4(CSC4)C3)ccc21 ZINC001141145435 816487338 /nfs/dbraw/zinc/48/73/38/816487338.db2.gz CLTOAGYNRJKMPI-UHFFFAOYSA-N 1 0 276.405 2.064 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC001141155788 816488761 /nfs/dbraw/zinc/48/87/61/816488761.db2.gz JREOZJFFPZWTOR-XHDPSFHLSA-N 1 0 263.337 2.099 20 10 CECDRO CCOC(=O)[C@@H]1CCCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159278 816490254 /nfs/dbraw/zinc/49/02/54/816490254.db2.gz CBWZNZHBSGJCFZ-GFCCVEGCSA-N 1 0 293.363 2.263 20 10 CECDRO C[NH+](C)C1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142502552 816675905 /nfs/dbraw/zinc/67/59/05/816675905.db2.gz SHDHZNVRDIRXDS-UHFFFAOYSA-N 1 0 270.323 2.196 20 10 CECDRO COC(=O)c1ccc(C[N@@H+]2CCc3cccc(O)c3C2)o1 ZINC001142636287 816698852 /nfs/dbraw/zinc/69/88/52/816698852.db2.gz MNPGNWQIHIHXKZ-UHFFFAOYSA-N 1 0 287.315 2.330 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nncn2C)c(O)c1 ZINC000037016328 361883123 /nfs/dbraw/zinc/88/31/23/361883123.db2.gz XQLGGOPIOYJTTG-MNOVXSKESA-N 1 0 260.341 2.241 20 10 CECDRO CN(Cc1ccccc1O)C(=O)CCCCCC[NH3+] ZINC000037823750 361951292 /nfs/dbraw/zinc/95/12/92/361951292.db2.gz QKTGCTLFNVRSAU-UHFFFAOYSA-N 1 0 264.369 2.260 20 10 CECDRO C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000137192309 344387548 /nfs/dbraw/zinc/38/75/48/344387548.db2.gz LQQLAGHUTSJXAB-AWEZNQCLSA-N 1 0 289.423 2.101 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2O)c1O ZINC000051991430 362456271 /nfs/dbraw/zinc/45/62/71/362456271.db2.gz PUKIAZBQGOQGEN-CHWSQXEVSA-N 1 0 265.353 2.184 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000134152194 366291136 /nfs/dbraw/zinc/29/11/36/366291136.db2.gz RATGMYAFBAXZRZ-LLVKDONJSA-N 1 0 251.326 2.012 20 10 CECDRO CC[C@@](C)(CCO)[NH2+]Cc1cccc(OC)c1O ZINC000134472313 366328080 /nfs/dbraw/zinc/32/80/80/366328080.db2.gz KEWAWMANRDEGQS-AWEZNQCLSA-N 1 0 253.342 2.042 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCOCC23CCC3)c1O ZINC000135511378 366448952 /nfs/dbraw/zinc/44/89/52/366448952.db2.gz SGWGPQDLLVUKNB-UHFFFAOYSA-N 1 0 293.338 2.489 20 10 CECDRO C[C@@H]([NH2+]C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000020551012 361583202 /nfs/dbraw/zinc/58/32/02/361583202.db2.gz MRIVQKDYLQCSLL-LLVKDONJSA-N 1 0 264.344 2.475 20 10 CECDRO COc1ccc(O)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000156079798 366827467 /nfs/dbraw/zinc/82/74/67/366827467.db2.gz UZEXRZPHJRUQQM-CQSZACIVSA-N 1 0 276.380 2.071 20 10 CECDRO CCCOc1ccc(C[N@H+](C)C[C@H](C)C(=O)OC)c(O)c1 ZINC000091986724 364073080 /nfs/dbraw/zinc/07/30/80/364073080.db2.gz CZDYBERQQSYJKG-LBPRGKRZSA-N 1 0 295.379 2.422 20 10 CECDRO CC[C@@H](C)C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000171948769 367646061 /nfs/dbraw/zinc/64/60/61/367646061.db2.gz IWUZUWUVAKVEAX-CQSZACIVSA-N 1 0 291.439 2.347 20 10 CECDRO CC(=O)N1CCC[N@H+](Cc2cc(C)c(C)cc2O)CC1 ZINC000179812090 368354158 /nfs/dbraw/zinc/35/41/58/368354158.db2.gz RHWSCRQFISLXDF-UHFFFAOYSA-N 1 0 276.380 2.063 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccccc1O ZINC000179902236 368357264 /nfs/dbraw/zinc/35/72/64/368357264.db2.gz LAVUKRVMIVSVRB-CQSZACIVSA-N 1 0 298.386 2.402 20 10 CECDRO COc1ccc(O)c(CN2CCC([NH2+]C(C)C)CC2)c1 ZINC000179965078 368359946 /nfs/dbraw/zinc/35/99/46/368359946.db2.gz KHNNGJKHZARMPG-UHFFFAOYSA-N 1 0 278.396 2.363 20 10 CECDRO COCCOC[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180215686 368373230 /nfs/dbraw/zinc/37/32/30/368373230.db2.gz XSYTYCWGCYJQKC-LBPRGKRZSA-N 1 0 283.343 2.016 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000180423610 368381099 /nfs/dbraw/zinc/38/10/99/368381099.db2.gz VWSSZXSXLHNZPL-TZMCWYRMSA-N 1 0 278.396 2.315 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000180423628 368382005 /nfs/dbraw/zinc/38/20/05/368382005.db2.gz VWSSZXSXLHNZPL-GXTWGEPZSA-N 1 0 278.396 2.315 20 10 CECDRO COc1cc(O)c(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000180700904 368393783 /nfs/dbraw/zinc/39/37/83/368393783.db2.gz FRMZVGRFCXCLKT-AAEUAGOBSA-N 1 0 295.379 2.002 20 10 CECDRO C[C@H]([NH2+]CCCCCO)c1ccc(N2CCOCC2)cc1 ZINC000181256208 368437251 /nfs/dbraw/zinc/43/72/51/368437251.db2.gz BJBLEVAMBKCGHG-HNNXBMFYSA-N 1 0 292.423 2.336 20 10 CECDRO CC[C@@H]([NH2+]CCCN1CCOC1=O)c1ccccc1O ZINC000183312368 368622223 /nfs/dbraw/zinc/62/22/23/368622223.db2.gz GCJUBBOFIQXXCT-CYBMUJFWSA-N 1 0 278.352 2.275 20 10 CECDRO C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cc(F)ccc1O ZINC000185116543 368750238 /nfs/dbraw/zinc/75/02/38/368750238.db2.gz JNCSEHMUZLCEKX-GFCCVEGCSA-N 1 0 296.386 2.029 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c1O ZINC000188331257 369339635 /nfs/dbraw/zinc/33/96/35/369339635.db2.gz RIHWQKHFJLCQHP-RISCZKNCSA-N 1 0 265.353 2.258 20 10 CECDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188666167 369391265 /nfs/dbraw/zinc/39/12/65/369391265.db2.gz PZZCORSIGQERLK-JSGCOSHPSA-N 1 0 296.386 2.084 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1 ZINC000188828764 369415134 /nfs/dbraw/zinc/41/51/34/369415134.db2.gz NUQQIBWYSALXNZ-WCQYABFASA-N 1 0 265.353 2.042 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)[C@H](C)OC)c1 ZINC000189114842 369460748 /nfs/dbraw/zinc/46/07/48/369460748.db2.gz YBMFPSXVZZIUKS-QWRGUYRKSA-N 1 0 253.342 2.304 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc(Cl)ccc1O ZINC000282791843 296143895 /nfs/dbraw/zinc/14/38/95/296143895.db2.gz QGWQSNNDESBELX-BDAKNGLRSA-N 1 0 288.750 2.170 20 10 CECDRO Cn1nccc1C[NH2+]Cc1cc(Br)ccc1O ZINC000227437146 370371100 /nfs/dbraw/zinc/37/11/00/370371100.db2.gz SHMAOKKEPXDETA-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000230659185 370461847 /nfs/dbraw/zinc/46/18/47/370461847.db2.gz QRJSPHPXBIVDQR-LDYMZIIASA-N 1 0 263.259 2.274 20 10 CECDRO Cc1cc(C)c2c(c1)N(C(=O)C1=CC[C@H]([NH3+])C1)CCO2 ZINC000638391722 370494739 /nfs/dbraw/zinc/49/47/39/370494739.db2.gz SAMSRNZXHLPVBQ-ZDUSSCGKSA-N 1 0 272.348 2.076 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1O ZINC000249849252 371367429 /nfs/dbraw/zinc/36/74/29/371367429.db2.gz PBJAYHXDSMQAGF-GZBFAFLISA-N 1 0 277.364 2.448 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000252733934 371474830 /nfs/dbraw/zinc/47/48/30/371474830.db2.gz TVSVXVLZPJXEDT-HIFRSBDPSA-N 1 0 295.404 2.107 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000268739545 372204138 /nfs/dbraw/zinc/20/41/38/372204138.db2.gz RETFCABGMJFRJS-STQMWFEESA-N 1 0 277.412 2.318 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1O ZINC000269865268 372583088 /nfs/dbraw/zinc/58/30/88/372583088.db2.gz XAEDWTJQQPEQQD-YGRLFVJLSA-N 1 0 295.354 2.469 20 10 CECDRO Cc1cc(NCc2ccc3c(c2)CCN3C)cc[nH+]1 ZINC000365340368 372832593 /nfs/dbraw/zinc/83/25/93/372832593.db2.gz AYBDXDRFOWNDIA-UHFFFAOYSA-N 1 0 253.349 2.416 20 10 CECDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000270578097 372849444 /nfs/dbraw/zinc/84/94/44/372849444.db2.gz WAIBQOPPIKMYBF-LBPRGKRZSA-N 1 0 275.270 2.024 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccccc1O ZINC000367067893 373135405 /nfs/dbraw/zinc/13/54/05/373135405.db2.gz OWGQMUDJNLGYLR-YNZJMPHRSA-N 1 0 274.364 2.100 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000271780389 373201246 /nfs/dbraw/zinc/20/12/46/373201246.db2.gz HQNCEQJOCRLJAK-QGZVFWFLSA-N 1 0 299.370 2.493 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccccc1O ZINC000368602874 373249023 /nfs/dbraw/zinc/24/90/23/373249023.db2.gz LIRYWQHBBSHGFY-WOSRLPQWSA-N 1 0 277.364 2.381 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1F ZINC000272322535 373429516 /nfs/dbraw/zinc/42/95/16/373429516.db2.gz IRCLUYIBASXTLJ-KGLIPLIRSA-N 1 0 266.360 2.141 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@H]1O ZINC000273779469 373770236 /nfs/dbraw/zinc/77/02/36/373770236.db2.gz SLDCAQHWZKBAOH-JOYOIKCWSA-N 1 0 285.771 2.257 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cn2cncn2)c1 ZINC000273359263 373754074 /nfs/dbraw/zinc/75/40/74/373754074.db2.gz ACUFWHADJCXYEG-RYUDHWBXSA-N 1 0 260.341 2.031 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)C2CC2)c(O)c1C ZINC000273386963 373754119 /nfs/dbraw/zinc/75/41/19/373754119.db2.gz JSQKHBDSUITMIA-GFCCVEGCSA-N 1 0 276.380 2.186 20 10 CECDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273445324 373757241 /nfs/dbraw/zinc/75/72/41/373757241.db2.gz DYDTXPZDFPWZFA-DGCLKSJQSA-N 1 0 299.436 2.483 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)c2cnn(C)c2)c(O)c1C ZINC000273498527 373759837 /nfs/dbraw/zinc/75/98/37/373759837.db2.gz PTWZNTVAUBHNOX-SWLSCSKDSA-N 1 0 289.379 2.127 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273520444 373762235 /nfs/dbraw/zinc/76/22/35/373762235.db2.gz UAZZDMWTMZWWFD-CHWSQXEVSA-N 1 0 276.380 2.361 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c(O)c1C ZINC000273540963 373762410 /nfs/dbraw/zinc/76/24/10/373762410.db2.gz YIPTZGTWRIKXCB-CHWSQXEVSA-N 1 0 288.391 2.423 20 10 CECDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)C1 ZINC000273599705 373766482 /nfs/dbraw/zinc/76/64/82/373766482.db2.gz RRKKIAYNCBUYTI-AAEUAGOBSA-N 1 0 298.814 2.417 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)c(O)c1 ZINC000273604677 373766556 /nfs/dbraw/zinc/76/65/56/373766556.db2.gz SVNMSCMTQZCGNC-GFCCVEGCSA-N 1 0 276.380 2.397 20 10 CECDRO CCOc1ccc(O)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000371418690 373875670 /nfs/dbraw/zinc/87/56/70/373875670.db2.gz FBNIOYFTUNVJDJ-HNNXBMFYSA-N 1 0 290.407 2.461 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000371528359 373912152 /nfs/dbraw/zinc/91/21/52/373912152.db2.gz LHTMYIFONXFZSQ-UHFFFAOYSA-N 1 0 287.334 2.151 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000282342569 375461064 /nfs/dbraw/zinc/46/10/64/375461064.db2.gz OWMNLPZJLSXVMZ-ADLMAVQZSA-N 1 0 267.394 2.262 20 10 CECDRO CCOc1cccc(C[NH2+]CCC2(O)CCC2)c1O ZINC000283910219 375779105 /nfs/dbraw/zinc/77/91/05/375779105.db2.gz IHKATKNUXSQWSM-UHFFFAOYSA-N 1 0 265.353 2.186 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)NCCF)c(O)c1 ZINC000285366493 375838142 /nfs/dbraw/zinc/83/81/42/375838142.db2.gz VUMKVGLTAOAZOP-NWDGAFQWSA-N 1 0 282.359 2.134 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC2(O)CCOCC2)c1 ZINC000287605276 376274388 /nfs/dbraw/zinc/27/43/88/376274388.db2.gz SEUWFJVSDZIKDP-CYBMUJFWSA-N 1 0 279.380 2.283 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000289567617 376405952 /nfs/dbraw/zinc/40/59/52/376405952.db2.gz PIKISVDMFOIILK-INIZCTEOSA-N 1 0 262.397 2.393 20 10 CECDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccccc1O ZINC000289752867 376483948 /nfs/dbraw/zinc/48/39/48/376483948.db2.gz QRQGVONXDJKCSF-UNPMEBSKSA-N 1 0 259.349 2.247 20 10 CECDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(F)ccc1O ZINC000293798659 377763381 /nfs/dbraw/zinc/76/33/81/377763381.db2.gz DCALDHUNJXIHOU-LLVKDONJSA-N 1 0 282.359 2.173 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1F ZINC000294120096 377911540 /nfs/dbraw/zinc/91/15/40/377911540.db2.gz TVWNJBHMGALKHQ-ZDUSSCGKSA-N 1 0 266.360 2.239 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000294271856 377962483 /nfs/dbraw/zinc/96/24/83/377962483.db2.gz LVYXNCDASBPNJC-GFCCVEGCSA-N 1 0 264.369 2.138 20 10 CECDRO Cn1cc(CCC[NH2+][C@H]2CCc3cccc(O)c32)cn1 ZINC000297625531 378687976 /nfs/dbraw/zinc/68/79/76/378687976.db2.gz JBLKIXVNRHNMTB-AWEZNQCLSA-N 1 0 271.364 2.335 20 10 CECDRO COCCC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000529638716 380181298 /nfs/dbraw/zinc/18/12/98/380181298.db2.gz WDNUGFNCECXHNZ-UHFFFAOYSA-N 1 0 293.363 2.369 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1COCCN1)c1cc(Cl)ccc1O ZINC000530223918 380197482 /nfs/dbraw/zinc/19/74/82/380197482.db2.gz IXPUBWKDZYKBMV-YPMHNXCESA-N 1 0 284.787 2.075 20 10 CECDRO NC(=O)c1c[nH+]ccc1NCCCSc1nccs1 ZINC000302040200 394471351 /nfs/dbraw/zinc/47/13/51/394471351.db2.gz RFALPXFPBVUDAA-UHFFFAOYSA-N 1 0 294.405 2.231 20 10 CECDRO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc(C)ccc1O ZINC000093610805 394668800 /nfs/dbraw/zinc/66/88/00/394668800.db2.gz HFCZHAZNFQEWFU-ZDUSSCGKSA-N 1 0 295.404 2.181 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000084059539 394641875 /nfs/dbraw/zinc/64/18/75/394641875.db2.gz GGUBACNWANLSQP-OCCSQVGLSA-N 1 0 275.396 2.024 20 10 CECDRO Cc1csc(=O)n1CC[N@@H+](C)Cc1ccccc1O ZINC000109771731 394735305 /nfs/dbraw/zinc/73/53/05/394735305.db2.gz DFMCNJBAICRPKU-UHFFFAOYSA-N 1 0 278.377 2.056 20 10 CECDRO Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccccc2O)on1 ZINC000109770641 394735494 /nfs/dbraw/zinc/73/54/94/394735494.db2.gz YLDAFIPOQNKXCC-LLVKDONJSA-N 1 0 289.335 2.148 20 10 CECDRO CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124714123 394839842 /nfs/dbraw/zinc/83/98/42/394839842.db2.gz GGILFOQDZPNFER-NSHDSACASA-N 1 0 268.788 2.477 20 10 CECDRO C[C@@H]1CN(Cc2cc(Br)ccc2O)CCO1 ZINC000132477719 394931432 /nfs/dbraw/zinc/93/14/32/394931432.db2.gz RILUYMCRAZKUSL-SECBINFHSA-N 1 0 286.169 2.375 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1O ZINC000373321607 395058617 /nfs/dbraw/zinc/05/86/17/395058617.db2.gz GLKZITBUBQLQKD-MRXNPFEDSA-N 1 0 277.364 2.138 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CO)C2CCCC2)c1O ZINC000289500566 395079377 /nfs/dbraw/zinc/07/93/77/395079377.db2.gz KUYVWNWYNARSOO-HNNXBMFYSA-N 1 0 295.354 2.375 20 10 CECDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cc(F)ccc3O)C2)cn1 ZINC000376534868 395124301 /nfs/dbraw/zinc/12/43/01/395124301.db2.gz IQPNZIIKLHBNCH-GFCCVEGCSA-N 1 0 289.354 2.329 20 10 CECDRO CCCOc1ccc(C[NH2+]C(C)(C)CCO)c(O)c1 ZINC000174578989 395125411 /nfs/dbraw/zinc/12/54/11/395125411.db2.gz AYFQGUNQIQMRNS-UHFFFAOYSA-N 1 0 267.369 2.432 20 10 CECDRO CN(C)c1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1F ZINC000376137276 395110498 /nfs/dbraw/zinc/11/04/98/395110498.db2.gz XCSXOSLEOOPRRH-CYBMUJFWSA-N 1 0 278.371 2.360 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000177874419 395158598 /nfs/dbraw/zinc/15/85/98/395158598.db2.gz XQXTVNCGSRXIQD-HZPDHXFCSA-N 1 0 289.423 2.462 20 10 CECDRO CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178711189 395172165 /nfs/dbraw/zinc/17/21/65/395172165.db2.gz FTFSLOLRVMSDBX-INIZCTEOSA-N 1 0 289.423 2.276 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCCC3)c(O)c1 ZINC000183847766 395265044 /nfs/dbraw/zinc/26/50/44/395265044.db2.gz ZDDSEGMPELQJAR-GFCCVEGCSA-N 1 0 286.379 2.479 20 10 CECDRO CC(C)[N@H+](CC(=O)N(C)C)Cc1ccc(N(C)C)cc1 ZINC000298699881 395363596 /nfs/dbraw/zinc/36/35/96/395363596.db2.gz GTYPQZYJKQZYMO-UHFFFAOYSA-N 1 0 277.412 2.051 20 10 CECDRO Cc1ccc(O)c(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000193400662 395408105 /nfs/dbraw/zinc/40/81/05/395408105.db2.gz SNCOQRTYKNQKTP-GASCZTMLSA-N 1 0 292.423 2.242 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000183838106 400290585 /nfs/dbraw/zinc/29/05/85/400290585.db2.gz DXGCDLANVUSYNQ-LBPRGKRZSA-N 1 0 277.412 2.175 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCOC2)c1 ZINC000038043964 174051535 /nfs/dbraw/zinc/05/15/35/174051535.db2.gz VUWDCXPWQNHNLH-RYUDHWBXSA-N 1 0 265.353 2.478 20 10 CECDRO Cc1cc(C)cc(N(C)C(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)c1 ZINC000662522913 415873969 /nfs/dbraw/zinc/87/39/69/415873969.db2.gz GSKWIKINRHERGW-CYBMUJFWSA-N 1 0 298.390 2.380 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000153050285 261072607 /nfs/dbraw/zinc/07/26/07/261072607.db2.gz PFFSGGUUADISCA-WMLDXEAASA-N 1 0 290.407 2.353 20 10 CECDRO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)CC1CC1 ZINC000157919855 261155659 /nfs/dbraw/zinc/15/56/59/261155659.db2.gz IDGKCDKINVDMEL-UHFFFAOYSA-N 1 0 289.423 2.101 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CCC(C(=O)OC)CC2)c1 ZINC000159229700 261181588 /nfs/dbraw/zinc/18/15/88/261181588.db2.gz MNMVDRYAGOMBIF-UHFFFAOYSA-N 1 0 293.363 2.176 20 10 CECDRO C[C@@H](CCO)C[NH2+]Cc1cc(Br)ccc1O ZINC000164931784 261361496 /nfs/dbraw/zinc/36/14/96/261361496.db2.gz KJZZOGKYUOAHSF-VIFPVBQESA-N 1 0 288.185 2.263 20 10 CECDRO CC(C)C(=O)NCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000184869200 262031557 /nfs/dbraw/zinc/03/15/57/262031557.db2.gz CBSAUMPJBPXHHQ-JTQLQIEISA-N 1 0 284.787 2.468 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCOC2=O)c(O)c1 ZINC000185332863 262050598 /nfs/dbraw/zinc/05/05/98/262050598.db2.gz SXJSTFRJZYLJHN-GFCCVEGCSA-N 1 0 278.352 2.194 20 10 CECDRO CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185438674 262054614 /nfs/dbraw/zinc/05/46/14/262054614.db2.gz ZKOGZCWKLILRRZ-JRPNMDOOSA-N 1 0 267.369 2.458 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185467045 262056268 /nfs/dbraw/zinc/05/62/68/262056268.db2.gz OLPUSRFJLRVBQW-YGRLFVJLSA-N 1 0 287.787 2.484 20 10 CECDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186030493 262076316 /nfs/dbraw/zinc/07/63/16/262076316.db2.gz IYGPEZYADKMXMO-ZJUUUORDSA-N 1 0 289.372 2.005 20 10 CECDRO COC[C@H](O)CC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186203111 262084793 /nfs/dbraw/zinc/08/47/93/262084793.db2.gz YKBYBKNKYOZDON-IUODEOHRSA-N 1 0 293.407 2.319 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1O ZINC000289882344 263112598 /nfs/dbraw/zinc/11/25/98/263112598.db2.gz WDHZRNMOUZVSNK-VXGBXAGGSA-N 1 0 285.771 2.399 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000188494563 264013133 /nfs/dbraw/zinc/01/31/33/264013133.db2.gz VNCAPQCYUJVBIB-UWVGGRQHSA-N 1 0 268.332 2.049 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCOCC(F)F)c1O ZINC000189008332 264260586 /nfs/dbraw/zinc/26/05/86/264260586.db2.gz LPPGCPGKHWWGHO-UHFFFAOYSA-N 1 0 295.713 2.426 20 10 CECDRO CCOC(=O)[C@@H](F)C1C[NH+](Cc2cc(C)ccc2O)C1 ZINC000293510845 264966475 /nfs/dbraw/zinc/96/64/75/264966475.db2.gz ABQRJUDZDDQHSG-AWEZNQCLSA-N 1 0 281.327 2.034 20 10 CECDRO COc1cc(O)c(C[NH+]2CCC3(CCO3)CC2)cc1OC ZINC000367245145 266183165 /nfs/dbraw/zinc/18/31/65/266183165.db2.gz VRMNWWKVYPFISI-UHFFFAOYSA-N 1 0 293.363 2.164 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1C ZINC000363264244 267083669 /nfs/dbraw/zinc/08/36/69/267083669.db2.gz KHQJIEBPCGZFHH-YUELXQCFSA-N 1 0 288.391 2.108 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000368041615 267141244 /nfs/dbraw/zinc/14/12/44/267141244.db2.gz UQHMMJKPLBSSGX-GMXVVIOVSA-N 1 0 253.317 2.248 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2O)CC12CCC2 ZINC000369649301 267257584 /nfs/dbraw/zinc/25/75/84/267257584.db2.gz QDIUQEOVSSDNEL-CQSZACIVSA-N 1 0 289.375 2.476 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@]2(CCCOC2)O1 ZINC000370712502 267341255 /nfs/dbraw/zinc/34/12/55/267341255.db2.gz VUIRGGHNDLHSPW-CJNGLKHVSA-N 1 0 277.364 2.162 20 10 CECDRO CC(C)(C[NH2+][C@@H]1CCc2cccc(O)c21)N1CCOCC1 ZINC000295829031 275861423 /nfs/dbraw/zinc/86/14/23/275861423.db2.gz DVMMAGBXRQTERY-CQSZACIVSA-N 1 0 290.407 2.080 20 10 CECDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N(C)C1CC1 ZINC000297776134 278211285 /nfs/dbraw/zinc/21/12/85/278211285.db2.gz PLLHELHKQBBQFV-RISCZKNCSA-N 1 0 260.381 2.452 20 10 CECDRO C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccccc1O ZINC000272861332 328201083 /nfs/dbraw/zinc/20/10/83/328201083.db2.gz MXZVZROCIBONSB-KCJUWKMLSA-N 1 0 263.259 2.356 20 10 CECDRO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000289537965 328255057 /nfs/dbraw/zinc/25/50/57/328255057.db2.gz HYCCRLLPAJSZLG-AWEZNQCLSA-N 1 0 292.379 2.445 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H](CO)C2)cc1F ZINC000378344950 329046762 /nfs/dbraw/zinc/04/67/62/329046762.db2.gz FLLOISJAYBJVLW-AWEZNQCLSA-N 1 0 280.387 2.486 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000378495756 329052980 /nfs/dbraw/zinc/05/29/80/329052980.db2.gz MMWUCACXCXZXRH-JTQLQIEISA-N 1 0 276.315 2.029 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000179569030 329209737 /nfs/dbraw/zinc/20/97/37/329209737.db2.gz XDRRZTCFFRHVRG-MRXNPFEDSA-N 1 0 290.407 2.079 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccccc1O ZINC000183618769 329251366 /nfs/dbraw/zinc/25/13/66/329251366.db2.gz VPSKQOYSNMYJQB-PWSUYJOCSA-N 1 0 257.337 2.323 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CCCO)c1O ZINC000228676368 329344414 /nfs/dbraw/zinc/34/44/14/329344414.db2.gz HJSZBRUPYQVGKN-SECBINFHSA-N 1 0 273.760 2.305 20 10 CECDRO CCOc1ccc(C[NH2+][C@]23C[C@H]2COC3(C)C)c(O)c1 ZINC000527765585 330281698 /nfs/dbraw/zinc/28/16/98/330281698.db2.gz JNEZVZNARJTOJX-BLLLJJGKSA-N 1 0 277.364 2.448 20 10 CECDRO CCn1nncc1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000527913728 330294876 /nfs/dbraw/zinc/29/48/76/330294876.db2.gz BEVWTZXZTDRJRG-LLVKDONJSA-N 1 0 260.341 2.163 20 10 CECDRO CCn1nncc1C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000527918869 330295504 /nfs/dbraw/zinc/29/55/04/330295504.db2.gz FJWAXRJOBBWWJW-JOYOIKCWSA-N 1 0 290.342 2.481 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC23CC(C2)CO3)c1 ZINC000527978358 330302235 /nfs/dbraw/zinc/30/22/35/330302235.db2.gz HTWBYJWOZFLXSH-RWWNRMGGSA-N 1 0 263.337 2.230 20 10 CECDRO C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3[O-])CC[C@@H]21 ZINC000166378937 331307017 /nfs/dbraw/zinc/30/70/17/331307017.db2.gz FGUROKCVMWRJSY-DOMZBBRYSA-N 1 0 278.371 2.447 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000226583690 333265607 /nfs/dbraw/zinc/26/56/07/333265607.db2.gz GZDJXCLOEXSFDA-UHFFFAOYSA-N 1 0 264.344 2.248 20 10 CECDRO C[C@]1(C(N)=O)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000235716734 333371865 /nfs/dbraw/zinc/37/18/65/333371865.db2.gz YGRDAZCVMFRGOB-KRWDZBQOSA-N 1 0 284.359 2.243 20 10 CECDRO CCOc1cccc(C[NH2+]CCCn2cccn2)c1O ZINC000134479874 334091833 /nfs/dbraw/zinc/09/18/33/334091833.db2.gz OILFVNIRXQPJDA-UHFFFAOYSA-N 1 0 275.352 2.167 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000252566746 334382746 /nfs/dbraw/zinc/38/27/46/334382746.db2.gz ZVOGOFMNQMJISF-KKUMJFAQSA-N 1 0 290.407 2.214 20 10 CECDRO CC(C)CCOCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000045094384 519668712 /nfs/dbraw/zinc/66/87/12/519668712.db2.gz SYCOUGKQRBDAHW-UHFFFAOYSA-N 1 0 281.352 2.273 20 10 CECDRO CC(C)[NH+]1CCC(N(C)C(=O)Cc2ccc(N)cc2)CC1 ZINC000037804603 519669542 /nfs/dbraw/zinc/66/95/42/519669542.db2.gz JZDGBHHEZPOWNZ-UHFFFAOYSA-N 1 0 289.423 2.143 20 10 CECDRO CC(C)C[NH+]1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000236771435 519720157 /nfs/dbraw/zinc/72/01/57/519720157.db2.gz PHUZHLPMGKKCCW-UHFFFAOYSA-N 1 0 289.423 2.048 20 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10 CECDRO COC(C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)OC ZINC000275626458 522530218 /nfs/dbraw/zinc/53/02/18/522530218.db2.gz OKDJZEKGOOQNGC-UHFFFAOYSA-N 1 0 278.396 2.336 20 10 CECDRO CC[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(C)cc1O ZINC000280888533 522627556 /nfs/dbraw/zinc/62/75/56/522627556.db2.gz OVYRROWTAUOJKB-FMKPAKJESA-N 1 0 293.407 2.386 20 10 CECDRO CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(N(C)C)cc1 ZINC000278890244 522639663 /nfs/dbraw/zinc/63/96/63/522639663.db2.gz TXZCBNJFWJLRSZ-RRQGHBQHSA-N 1 0 292.423 2.333 20 10 CECDRO CC[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(C)cc1O ZINC000280245553 522747114 /nfs/dbraw/zinc/74/71/14/522747114.db2.gz WGHBTXGVDRNHLL-LSDHHAIUSA-N 1 0 289.379 2.208 20 10 CECDRO COC(=O)C1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000289929877 522830892 /nfs/dbraw/zinc/83/08/92/522830892.db2.gz YXTBWFNLVFFURH-SNVBAGLBSA-N 1 0 279.336 2.005 20 10 CECDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)C(C)(C)O ZINC000292929975 522882813 /nfs/dbraw/zinc/88/28/13/522882813.db2.gz GWSSZZGIZBJFCD-GFCCVEGCSA-N 1 0 253.342 2.040 20 10 CECDRO C[N@H+](Cc1ccc(O)cc1)Cc1cc2c(cc1O)OCO2 ZINC000290308542 523270648 /nfs/dbraw/zinc/27/06/48/523270648.db2.gz BYDWRFIREBHAGJ-UHFFFAOYSA-N 1 0 287.315 2.459 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000037823741 523383701 /nfs/dbraw/zinc/38/37/01/523383701.db2.gz HDWRBWKRONVASR-SNPRPXQTSA-N 1 0 288.391 2.271 20 10 CECDRO COCC[N@H+](Cc1cccnc1)Cc1ccccc1O ZINC000289445795 523760475 /nfs/dbraw/zinc/76/04/75/523760475.db2.gz MNUNPNDGGPWCPH-UHFFFAOYSA-N 1 0 272.348 2.436 20 10 CECDRO Cc1cccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000280370269 524409597 /nfs/dbraw/zinc/40/95/97/524409597.db2.gz DJSZNYLNNUBOJE-JJRVBVJISA-N 1 0 291.391 2.469 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c1O ZINC000275642120 524441845 /nfs/dbraw/zinc/44/18/45/524441845.db2.gz TUZBRGIXDYQEAO-ZFWWWQNUSA-N 1 0 287.363 2.054 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1CO ZINC000276747747 524508650 /nfs/dbraw/zinc/50/86/50/524508650.db2.gz LIUHBYCGGRJQAB-ABAIWWIYSA-N 1 0 266.360 2.094 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC2([S@](C)=O)CCC2)c1 ZINC000280642431 525345597 /nfs/dbraw/zinc/34/55/97/525345597.db2.gz NFXQAQAWICJYJW-SFHVURJKSA-N 1 0 267.394 2.091 20 10 CECDRO COc1cccc(C[NH2+]CCCOCC2CC2)c1O ZINC000020190635 526013999 /nfs/dbraw/zinc/01/39/99/526013999.db2.gz DUAFGZYIHYEHCJ-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H]1CSCCS1 ZINC000131148515 526373846 /nfs/dbraw/zinc/37/38/46/526373846.db2.gz YNIFQIIJFZYYJI-NSHDSACASA-N 1 0 255.408 2.330 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@]2(C)CCO[C@H]2C)cc1OC ZINC000753575203 574511256 /nfs/dbraw/zinc/51/12/56/574511256.db2.gz GRSVXSHKGBNXKK-BONVTDFDSA-N 1 0 281.352 2.067 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000731864095 574604136 /nfs/dbraw/zinc/60/41/36/574604136.db2.gz KVOWDRYHCHIXGG-MRXNPFEDSA-N 1 0 289.423 2.195 20 10 CECDRO CCOC[C@H](O)C[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000733610310 574682627 /nfs/dbraw/zinc/68/26/27/574682627.db2.gz IBERZUBZBBQYKO-QGZVFWFLSA-N 1 0 294.439 2.362 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756731956 574822611 /nfs/dbraw/zinc/82/26/11/574822611.db2.gz DTKNRUWXINVLMI-QWHCGFSZSA-N 1 0 267.369 2.403 20 10 CECDRO COCCOC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000742376678 575018172 /nfs/dbraw/zinc/01/81/72/575018172.db2.gz BPKWMARREZHHRA-SNVBAGLBSA-N 1 0 273.760 2.187 20 10 CECDRO O=C(C1=CC(=O)CS1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000743490412 575105052 /nfs/dbraw/zinc/10/50/52/575105052.db2.gz UUYWZWPDACFNGE-NSHDSACASA-N 1 0 280.393 2.012 20 10 CECDRO COc1ccc(N2CCC[N@H+](CC3(C)COC3)CC2)cc1 ZINC000743843222 575110119 /nfs/dbraw/zinc/11/01/19/575110119.db2.gz RPQCPVUXOKFNFJ-UHFFFAOYSA-N 1 0 290.407 2.244 20 10 CECDRO Cc1cc(C)c(O)c(C[NH+]2CCC(C(=O)N(C)C)CC2)c1 ZINC000120070086 622544994 /nfs/dbraw/zinc/54/49/94/622544994.db2.gz DPNYXPHAFIMPLQ-UHFFFAOYSA-N 1 0 290.407 2.309 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCS[C@@H]2C)c1 ZINC000310528698 625590515 /nfs/dbraw/zinc/59/05/15/625590515.db2.gz YQQRPEAOPOZIPA-BXKDBHETSA-N 1 0 253.367 2.384 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H](C)[C@H](C)O)CC2)cc1 ZINC000806171228 622912254 /nfs/dbraw/zinc/91/22/54/622912254.db2.gz XAYGCHINXLBFFG-OLZOCXBDSA-N 1 0 278.396 2.023 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN(C)[C@@H](C)C[NH3+])c1O ZINC000843350361 622942799 /nfs/dbraw/zinc/94/27/99/622942799.db2.gz NEIYURLLPSRAIR-QMMMGPOBSA-N 1 0 270.760 2.027 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H]2CCCO2)c(O)c1 ZINC000725841462 625611680 /nfs/dbraw/zinc/61/16/80/625611680.db2.gz JIDDVWQPLLMANO-ZDUSSCGKSA-N 1 0 251.326 2.060 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCC(CC(N)=O)CC2)cc1C ZINC000048621527 623166907 /nfs/dbraw/zinc/16/69/07/623166907.db2.gz DYQVCTVVOSNACH-UHFFFAOYSA-N 1 0 276.380 2.096 20 10 CECDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000049948962 623272135 /nfs/dbraw/zinc/27/21/35/623272135.db2.gz TYDFCUXKKHEICF-IAGOWNOFSA-N 1 0 290.407 2.180 20 10 CECDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846142554 623353933 /nfs/dbraw/zinc/35/39/33/623353933.db2.gz ARFPAZMPILBKDD-WDEREUQCSA-N 1 0 253.342 2.212 20 10 CECDRO Fc1cc(C[NH2+]C2CC=CC2)ccc1N1CCOCC1 ZINC000151954347 625655309 /nfs/dbraw/zinc/65/53/09/625655309.db2.gz LFNYLROIBWRDRY-UHFFFAOYSA-N 1 0 276.355 2.471 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+](CC(N)=O)CC(C)C)cc1 ZINC000092012066 625680620 /nfs/dbraw/zinc/68/06/20/625680620.db2.gz YRLLLFNGLWLJSU-UHFFFAOYSA-N 1 0 291.439 2.476 20 10 CECDRO COc1ccc(C[N@H+](C)CC2CCOCC2)c(O)c1OC ZINC000892003129 624243105 /nfs/dbraw/zinc/24/31/05/624243105.db2.gz DAPMTULLJIFKPJ-UHFFFAOYSA-N 1 0 295.379 2.268 20 10 CECDRO CCCC[C@@H](C[NH3+])NC(=O)N[C@H](C)c1ccccc1O ZINC000892039313 624269284 /nfs/dbraw/zinc/26/92/84/624269284.db2.gz AHQWKVICXRSVOT-NEPJUHHUSA-N 1 0 279.384 2.270 20 10 CECDRO COc1ccc(C[N@@H+]2CCCOC(C)(C)C2)c(O)c1OC ZINC000892076392 624299896 /nfs/dbraw/zinc/29/98/96/624299896.db2.gz XRYLIODINZDFDC-UHFFFAOYSA-N 1 0 295.379 2.410 20 10 CECDRO CC(=O)N(C)C1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000052085407 624767969 /nfs/dbraw/zinc/76/79/69/624767969.db2.gz UKEMPFBHPLPXKO-UHFFFAOYSA-N 1 0 290.407 2.452 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CC2CC2)cc1 ZINC000052128159 624789900 /nfs/dbraw/zinc/78/99/00/624789900.db2.gz PRPWEFRWANJWPG-UHFFFAOYSA-N 1 0 289.423 2.053 20 10 CECDRO OC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000310711649 625905183 /nfs/dbraw/zinc/90/51/83/625905183.db2.gz CTSJFYXOSZBHFK-ZWNOBZJWSA-N 1 0 253.317 2.172 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C1(C[NH+](C)C)CC1 ZINC000820878005 634559006 /nfs/dbraw/zinc/55/90/06/634559006.db2.gz GWXSZIDXDBGZJA-UHFFFAOYSA-N 1 0 290.407 2.473 20 10 CECDRO C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccccc1O ZINC000850495683 627291204 /nfs/dbraw/zinc/29/12/04/627291204.db2.gz HFRMVJJJXVXNOC-ZRNGKTOUSA-N 1 0 295.326 2.354 20 10 CECDRO COc1ccc(C[NH2+]Cc2cccc(C)n2)c(O)c1OC ZINC000892595339 627296808 /nfs/dbraw/zinc/29/68/08/627296808.db2.gz HFIULWFVMZAPRX-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO Cc1cccc(C[N@@H+](C)[C@H]2CN3CCC2CC3)c1O ZINC000311459966 627666824 /nfs/dbraw/zinc/66/68/24/627666824.db2.gz VMPUTNJWVVCCIU-HNNXBMFYSA-N 1 0 260.381 2.227 20 10 CECDRO CC[S@](=O)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000168763963 627686955 /nfs/dbraw/zinc/68/69/55/627686955.db2.gz ZHUCKKAZQCNBAG-PIGZYNQJSA-N 1 0 255.383 2.120 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)CC1CC[NH2+]CC1 ZINC000169102905 627693151 /nfs/dbraw/zinc/69/31/51/627693151.db2.gz GXVGEFRCMRRNBH-UHFFFAOYSA-N 1 0 289.423 2.067 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC2(CO)CCC2)c1 ZINC000184371289 628204878 /nfs/dbraw/zinc/20/48/78/628204878.db2.gz NPUZNCUUDRPHNH-UHFFFAOYSA-N 1 0 265.353 2.043 20 10 CECDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(F)ccc1O ZINC000775983645 628354353 /nfs/dbraw/zinc/35/43/53/628354353.db2.gz CGMZNZVTZXQKLF-QWRGUYRKSA-N 1 0 252.333 2.056 20 10 CECDRO Cc1c(C[NH2+]Cc2ccc(N(C)C)cc2C)cnn1C ZINC000162614271 628377794 /nfs/dbraw/zinc/37/77/94/628377794.db2.gz ZBCLZZMHVHGJCD-UHFFFAOYSA-N 1 0 272.396 2.393 20 10 CECDRO CC(=O)N1CC[N@H+](Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000840918599 628502705 /nfs/dbraw/zinc/50/27/05/628502705.db2.gz WPBKPSXKEPMMQE-AWEZNQCLSA-N 1 0 289.423 2.114 20 10 CECDRO COc1ccc(C[N@@H+]2CCCSCC2)c(O)c1OC ZINC000893420362 628596484 /nfs/dbraw/zinc/59/64/84/628596484.db2.gz GVJLXBXCXQROPS-UHFFFAOYSA-N 1 0 283.393 2.348 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H](C)[S@@](C)=O ZINC000840938007 628756199 /nfs/dbraw/zinc/75/61/99/628756199.db2.gz YULWNZPNGRFNLW-ORAYPTAESA-N 1 0 282.453 2.308 20 10 CECDRO C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1[O-] ZINC000925781694 628808269 /nfs/dbraw/zinc/80/82/69/628808269.db2.gz JLSKVYDHOKCDSR-VHSXEESVSA-N 1 0 288.313 2.427 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)COC)c1 ZINC000066995950 628887939 /nfs/dbraw/zinc/88/79/39/628887939.db2.gz WRXTTXCEIPKBBV-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO C[C@H](O)[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000840979942 628988511 /nfs/dbraw/zinc/98/85/11/628988511.db2.gz VQBWKIWJTCYZLJ-BLLLJJGKSA-N 1 0 287.359 2.127 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c1O ZINC000894089338 629119166 /nfs/dbraw/zinc/11/91/66/629119166.db2.gz RRHRAZKVPZNUHY-TZMCWYRMSA-N 1 0 279.380 2.302 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C2CC2)c1O ZINC000894245423 629252137 /nfs/dbraw/zinc/25/21/37/629252137.db2.gz BLFGTXVVOBENOF-GFCCVEGCSA-N 1 0 278.396 2.282 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)c1O ZINC000894340510 629370455 /nfs/dbraw/zinc/37/04/55/629370455.db2.gz OZMVJLXNXNFGLH-GXTWGEPZSA-N 1 0 290.407 2.424 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1O ZINC000894423535 629453115 /nfs/dbraw/zinc/45/31/15/629453115.db2.gz TWGDOJXZDNZBFF-CHWSQXEVSA-N 1 0 279.380 2.302 20 10 CECDRO COc1cc(C)cc(C[NH2+]C2(CO)CCCCC2)c1O ZINC000894467795 629478355 /nfs/dbraw/zinc/47/83/55/629478355.db2.gz CMEOBLVBTNEHBX-UHFFFAOYSA-N 1 0 279.380 2.494 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)c1O ZINC000894487278 629488681 /nfs/dbraw/zinc/48/86/81/629488681.db2.gz HTUSTQLWBBVADF-QWHCGFSZSA-N 1 0 278.396 2.234 20 10 CECDRO Cc1nnc([C@H](C)[NH2+]Cc2cc(C)c(C)cc2O)[nH]1 ZINC000894772150 629626481 /nfs/dbraw/zinc/62/64/81/629626481.db2.gz GJMSVAQHCRELGO-JTQLQIEISA-N 1 0 260.341 2.286 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H](CO)C(C)C)c1O ZINC000894761873 629630330 /nfs/dbraw/zinc/63/03/30/629630330.db2.gz RACZPHUJPQKAJA-CYBMUJFWSA-N 1 0 267.369 2.063 20 10 CECDRO [O-]c1c(F)cc(F)cc1CN(C1CC1)C1COC1 ZINC000894868877 629707183 /nfs/dbraw/zinc/70/71/83/629707183.db2.gz KLPVJQLNPADBBW-UHFFFAOYSA-N 1 0 255.264 2.034 20 10 CECDRO CCc1cccc(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@@H]2C)c1O ZINC000895123761 629926607 /nfs/dbraw/zinc/92/66/07/629926607.db2.gz ZCHTXGGXVAKGFY-SDDRHHMPSA-N 1 0 276.380 2.052 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c(O)c1 ZINC000797070850 630123276 /nfs/dbraw/zinc/12/32/76/630123276.db2.gz NFVGBHOYDRCUAN-NWDGAFQWSA-N 1 0 297.420 2.317 20 10 CECDRO CC1=NO[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000895428529 630179253 /nfs/dbraw/zinc/17/92/53/630179253.db2.gz IADTZTRUKZLHMG-CQSZACIVSA-N 1 0 260.337 2.266 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000895459732 630202252 /nfs/dbraw/zinc/20/22/52/630202252.db2.gz HNBOMDFUJUJMDN-QJPTWQEYSA-N 1 0 263.337 2.385 20 10 CECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(N)cc2)[C@@H](C)C1 ZINC000841298927 630214888 /nfs/dbraw/zinc/21/48/88/630214888.db2.gz URZUCUSXAKXWFP-WFASDCNBSA-N 1 0 290.411 2.463 20 10 CECDRO COC(OC)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000895790602 630346282 /nfs/dbraw/zinc/34/62/82/630346282.db2.gz SWSHEVBDCQCBIP-SECBINFHSA-N 1 0 273.760 2.451 20 10 CECDRO COC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H]1CCCOC1 ZINC000895853827 630377940 /nfs/dbraw/zinc/37/79/40/630377940.db2.gz HXHZYVSZJLKWGA-FZMZJTMJSA-N 1 0 283.343 2.063 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCNC(=O)CC23CCC3)cc1C ZINC000895928115 630407734 /nfs/dbraw/zinc/40/77/34/630407734.db2.gz 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C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000843127571 631750317 /nfs/dbraw/zinc/75/03/17/631750317.db2.gz DZBQPCRNYCRSFR-JGVFFNPUSA-N 1 0 260.740 2.400 20 10 CECDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1O ZINC000806717507 631768458 /nfs/dbraw/zinc/76/84/58/631768458.db2.gz IMLQAJXWAMGYLA-AWEZNQCLSA-N 1 0 276.380 2.273 20 10 CECDRO C[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@@H]1O ZINC000897679120 631863812 /nfs/dbraw/zinc/86/38/12/631863812.db2.gz HULUMZKSXZFRLH-DUIDPNDXSA-N 1 0 260.381 2.078 20 10 CECDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C1=CC(=O)CS1 ZINC000807776952 631870128 /nfs/dbraw/zinc/87/01/28/631870128.db2.gz JILBXJLCAOGLTH-CMPLNLGQSA-N 1 0 280.393 2.153 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1O ZINC000897822846 631931828 /nfs/dbraw/zinc/93/18/28/631931828.db2.gz LVYIIPSUKMMAGU-APVFFNHTSA-N 1 0 275.348 2.056 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCNC2=O)c1O ZINC000808686928 632001294 /nfs/dbraw/zinc/00/12/94/632001294.db2.gz OZGBWRHNJKNMMV-SKDRFNHKSA-N 1 0 282.771 2.283 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CO)C(C)C)c1O ZINC000810075421 632176656 /nfs/dbraw/zinc/17/66/56/632176656.db2.gz LDDVRRVNRXVCGL-HNNXBMFYSA-N 1 0 283.343 2.231 20 10 CECDRO CC[C@H](Cn1cncn1)[NH2+]CCCSc1nccs1 ZINC000810219292 632195756 /nfs/dbraw/zinc/19/57/56/632195756.db2.gz PWRPTCQQDIRXPN-LLVKDONJSA-N 1 0 297.453 2.285 20 10 CECDRO CCO[C@@H](C[NH2+][C@H](C)c1cccc(OC)c1O)CN(C)C ZINC000926964305 632392881 /nfs/dbraw/zinc/39/28/81/632392881.db2.gz WYDQZNBCEIOSEU-OLZOCXBDSA-N 1 0 296.411 2.018 20 10 CECDRO CC[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(C)cc1O ZINC000926982789 632403899 /nfs/dbraw/zinc/40/38/99/632403899.db2.gz RQWRKYMGMUNMNF-GXTWGEPZSA-N 1 0 276.380 2.268 20 10 CECDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448421 632498102 /nfs/dbraw/zinc/49/81/02/632498102.db2.gz RVOSLMKLBUMJJZ-CKEIUWERSA-N 1 0 293.455 2.368 20 10 CECDRO C[C@@H]([NH2+]C1COCCOC1)c1cc(Cl)ccc1O ZINC000813878583 632751730 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633461226 /nfs/dbraw/zinc/46/12/26/633461226.db2.gz IPPJXUVLNCRUAU-UHFFFAOYSA-N 1 0 253.729 2.268 20 10 CECDRO CCCN1C[C@H](C[NH2+]Cc2cc(Cl)ccc2O)CC1=O ZINC000817410859 633650805 /nfs/dbraw/zinc/65/08/05/633650805.db2.gz IVDNXSLJQUGUQU-NSHDSACASA-N 1 0 296.798 2.394 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c1O ZINC000817414986 633653315 /nfs/dbraw/zinc/65/33/15/633653315.db2.gz QBLCOXOFVQEPKK-DGCLKSJQSA-N 1 0 265.353 2.136 20 10 CECDRO CC[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000817415544 633655013 /nfs/dbraw/zinc/65/50/13/633655013.db2.gz UXMPSTKBCWZIKS-NEPJUHHUSA-N 1 0 279.336 2.168 20 10 CECDRO COC1([C@H](C)[NH2+]Cc2cc(F)ccc2O)CCOCC1 ZINC000817419274 633656473 /nfs/dbraw/zinc/65/64/73/633656473.db2.gz FCQKFVIDKSBUNV-NSHDSACASA-N 1 0 283.343 2.205 20 10 CECDRO Oc1ccc(Cl)cc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817864844 633747021 /nfs/dbraw/zinc/74/70/21/633747021.db2.gz DTTUQGUHFNQYSZ-UHFFFAOYSA-N 1 0 266.772 2.374 20 10 CECDRO Cc1n[nH]cc1[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817941400 633789446 /nfs/dbraw/zinc/78/94/46/633789446.db2.gz JQKHDWZPNKNUTB-MEDUHNTESA-N 1 0 287.411 2.135 20 10 CECDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817945272 633792107 /nfs/dbraw/zinc/79/21/07/633792107.db2.gz YSIHXDKKYWHDAB-BDAKNGLRSA-N 1 0 274.286 2.424 20 10 CECDRO CC[C@@H]([NH2+]CCNCCOC)c1cc(Cl)ccc1O ZINC000817965500 633806118 /nfs/dbraw/zinc/80/61/18/633806118.db2.gz VUUURQOGQICLMV-CYBMUJFWSA-N 1 0 286.803 2.322 20 10 CECDRO C[C@H]1C[C@H](N[C@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817965957 633808341 /nfs/dbraw/zinc/80/83/41/633808341.db2.gz XMPJMWMKSLIYNG-NHCYSSNCSA-N 1 0 264.344 2.421 20 10 CECDRO CC[C@H](NC[C@@]1(COC)CCC[NH2+]1)c1ccccc1O ZINC000817973367 633817638 /nfs/dbraw/zinc/81/76/38/633817638.db2.gz DSFRTBPRJLBPTI-GOEBONIOSA-N 1 0 278.396 2.202 20 10 CECDRO C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817976653 633820241 /nfs/dbraw/zinc/82/02/41/633820241.db2.gz QMZIPGNAQRSQFA-GHMZBOCLSA-N 1 0 281.356 2.469 20 10 CECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000817976420 633820282 /nfs/dbraw/zinc/82/02/82/633820282.db2.gz LUGJVKKJJCVAOU-VXGBXAGGSA-N 1 0 294.395 2.347 20 10 CECDRO CC[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000817979622 633821353 /nfs/dbraw/zinc/82/13/53/633821353.db2.gz CATUTYKTUNFHNL-WCQYABFASA-N 1 0 270.323 2.430 20 10 CECDRO COC[C@H](C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818116072 633872103 /nfs/dbraw/zinc/87/21/03/633872103.db2.gz GGDODXCIWWKDJX-KBPBESRZSA-N 1 0 278.396 2.146 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)c2c1c(F)ccc2O ZINC000818357987 633915501 /nfs/dbraw/zinc/91/55/01/633915501.db2.gz MKQIJUMPITXDPI-CZULRBLNSA-N 1 0 251.301 2.193 20 10 CECDRO O[C@H](C[NH2+]Cc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000818964465 634018944 /nfs/dbraw/zinc/01/89/44/634018944.db2.gz XCTKIUJSDLLJKY-MRXNPFEDSA-N 1 0 292.448 2.100 20 10 CECDRO O[C@H](C[NH2+]CCCSc1nccs1)C(F)(F)F ZINC000819064040 634058413 /nfs/dbraw/zinc/05/84/13/634058413.db2.gz SUBQNQQKBJXXAK-SSDOTTSWSA-N 1 0 286.344 2.138 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000819077887 634061657 /nfs/dbraw/zinc/06/16/57/634061657.db2.gz QFKANSAIBXIUHT-CYBMUJFWSA-N 1 0 290.329 2.464 20 10 CECDRO COCC(C)(C)N1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000822498011 634930587 /nfs/dbraw/zinc/93/05/87/634930587.db2.gz SJCRLGYWHYFZGC-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO Oc1ccccc1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841076207 635038831 /nfs/dbraw/zinc/03/88/31/635038831.db2.gz BYAAITSUWWBLBN-UHFFFAOYSA-N 1 0 270.332 2.486 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(Cl)cc1O ZINC000903317822 635064924 /nfs/dbraw/zinc/06/49/24/635064924.db2.gz VHUGYORTPYMBSP-ONGXEEELSA-N 1 0 254.761 2.400 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000824446223 635429353 /nfs/dbraw/zinc/42/93/53/635429353.db2.gz TWUHQLVMNQXEKX-CYBMUJFWSA-N 1 0 290.407 2.317 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000824474769 635434285 /nfs/dbraw/zinc/43/42/85/635434285.db2.gz SFNMZSLUWNRBHF-SNVBAGLBSA-N 1 0 282.771 2.051 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000824701859 635480968 /nfs/dbraw/zinc/48/09/68/635480968.db2.gz CUMSQRHVOUZUMH-OLZOCXBDSA-N 1 0 263.337 2.132 20 10 CECDRO COc1ccc(O)c(C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)c1 ZINC000824815329 635503725 /nfs/dbraw/zinc/50/37/25/635503725.db2.gz LYHUPKZVHGFKQI-XHDPSFHLSA-N 1 0 265.353 2.258 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000825124825 635572908 /nfs/dbraw/zinc/57/29/08/635572908.db2.gz ZCNKOGIDLOYJRL-GXFFZTMASA-N 1 0 289.297 2.446 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124772 635573227 /nfs/dbraw/zinc/57/32/27/635573227.db2.gz XTYFQZDLKPTZBW-WCQYABFASA-N 1 0 289.297 2.446 20 10 CECDRO Cc1ccc(O)c(C[N@H+](CCO)C2CCSCC2)c1 ZINC000825130076 635574777 /nfs/dbraw/zinc/57/47/77/635574777.db2.gz LTVSOZBISYUTNS-UHFFFAOYSA-N 1 0 281.421 2.391 20 10 CECDRO CN(C)C(=O)c1cccc(C[NH2+]CCc2ccc(N)cc2)c1 ZINC000904352818 635585746 /nfs/dbraw/zinc/58/57/46/635585746.db2.gz CAEPYQOLQCIXSE-UHFFFAOYSA-N 1 0 297.402 2.303 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCn2cncn2)cc1Cl ZINC000825228323 635595006 /nfs/dbraw/zinc/59/50/06/635595006.db2.gz WAQBTNYBYYCWNX-UHFFFAOYSA-N 1 0 280.759 2.125 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)C(=O)NC ZINC000825315869 635613175 /nfs/dbraw/zinc/61/31/75/635613175.db2.gz HCIGJVJAICSZJD-MRXNPFEDSA-N 1 0 289.423 2.291 20 10 CECDRO COC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825330776 635618221 /nfs/dbraw/zinc/61/82/21/635618221.db2.gz CPWOUORKYCAHSN-CQSZACIVSA-N 1 0 287.787 2.231 20 10 CECDRO COc1cc(Cl)cc(CN[C@H]2C[NH2+]CC2(C)C)c1O ZINC000904462257 635635544 /nfs/dbraw/zinc/63/55/44/635635544.db2.gz PFKYHHAQSQIXKS-LBPRGKRZSA-N 1 0 284.787 2.142 20 10 CECDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(Br)cc1O ZINC000826030049 635742411 /nfs/dbraw/zinc/74/24/11/635742411.db2.gz NNWUVWMPHNOXBR-NSHDSACASA-N 1 0 288.185 2.357 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCc2cnn(C)n2)cc1Cl ZINC000826013723 635746299 /nfs/dbraw/zinc/74/62/99/635746299.db2.gz XZAYHIIPCKDZJX-UHFFFAOYSA-N 1 0 294.786 2.205 20 10 CECDRO Cc1cc(O)c(C[NH2+]C2(C(=O)N(C)C)CC2)cc1Cl ZINC000826121739 635763432 /nfs/dbraw/zinc/76/34/32/635763432.db2.gz UECZXCIRYHDZKA-UHFFFAOYSA-N 1 0 282.771 2.064 20 10 CECDRO CO[C@@H](C[NH2+]Cc1cc(Cl)c(C)cc1O)[C@@H]1CCOC1 ZINC000826821703 635855094 /nfs/dbraw/zinc/85/50/94/635855094.db2.gz BIYCXLQOZCDWPV-ABAIWWIYSA-N 1 0 299.798 2.495 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2C[C@@H](C)n3ncnc32)c1O ZINC000826889208 635872540 /nfs/dbraw/zinc/87/25/40/635872540.db2.gz RTFXOTZRKOAFJS-PWSUYJOCSA-N 1 0 258.325 2.088 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)c1O ZINC000826889517 635873027 /nfs/dbraw/zinc/87/30/27/635873027.db2.gz WBSOIQGMPWFMJJ-GWCFXTLKSA-N 1 0 272.352 2.342 20 10 CECDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000826910298 635879336 /nfs/dbraw/zinc/87/93/36/635879336.db2.gz DWOUTBXIHRIADO-JMERFSKESA-N 1 0 285.384 2.311 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)CC2=CCCOC2)c1 ZINC000827189676 636250111 /nfs/dbraw/zinc/25/01/11/636250111.db2.gz MHFAJDDXQBZAFK-UHFFFAOYSA-N 1 0 263.337 2.179 20 10 CECDRO CCc1cccc(C[NH2+]CCc2cncc(C)n2)c1O ZINC000827377129 636310708 /nfs/dbraw/zinc/31/07/08/636310708.db2.gz QDWAKANMQOQNNF-UHFFFAOYSA-N 1 0 271.364 2.385 20 10 CECDRO CNC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827401090 636313768 /nfs/dbraw/zinc/31/37/68/636313768.db2.gz YDELNTCBHDGRPX-UHFFFAOYSA-N 1 0 289.423 2.163 20 10 CECDRO CC(C)[N@H+](CC[S@](C)=O)Cc1ccc(N(C)C)cc1 ZINC000827441763 636321085 /nfs/dbraw/zinc/32/10/85/636321085.db2.gz CDKDZELBITUNSK-IBGZPJMESA-N 1 0 282.453 2.342 20 10 CECDRO CCC[C@H](O)C[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000827468060 636327340 /nfs/dbraw/zinc/32/73/40/636327340.db2.gz KMICBSGWQAIXOL-INIZCTEOSA-N 1 0 292.423 2.368 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506686 636339836 /nfs/dbraw/zinc/33/98/36/636339836.db2.gz KDNAQSVXBNHSJJ-HZPDHXFCSA-N 1 0 272.392 2.365 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c(O)c1 ZINC000827699582 636397667 /nfs/dbraw/zinc/39/76/67/636397667.db2.gz JITRWYPCKSVLPW-BLLLJJGKSA-N 1 0 279.380 2.241 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@]1(C)CO ZINC000827699281 636397952 /nfs/dbraw/zinc/39/79/52/636397952.db2.gz GGMGMJJCNLNUQR-MLGOLLRUSA-N 1 0 280.387 2.342 20 10 CECDRO C[N@H+](Cc1c(O)cccc1Cl)C1(CO)CCC1 ZINC000827903802 636456645 /nfs/dbraw/zinc/45/66/45/636456645.db2.gz PMAMEKWNDMXEII-UHFFFAOYSA-N 1 0 255.745 2.392 20 10 CECDRO C[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1O ZINC000827972906 636475978 /nfs/dbraw/zinc/47/59/78/636475978.db2.gz CMNRIJJNMKJPEM-ZDUSSCGKSA-N 1 0 276.380 2.301 20 10 CECDRO COc1cccc(C[N@@H+]2CCCc3n[nH]cc3C2)c1O ZINC000828013538 636486479 /nfs/dbraw/zinc/48/64/79/636486479.db2.gz DCNKIHVGDKXNRK-UHFFFAOYSA-N 1 0 273.336 2.072 20 10 CECDRO CC(C)(C)[NH2+]CCC(=O)N1Cc2cccc(O)c2C1 ZINC000828328473 636571063 /nfs/dbraw/zinc/57/10/63/636571063.db2.gz XVPNGHUVSQHBFU-UHFFFAOYSA-N 1 0 262.353 2.013 20 10 CECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C2=CC(=O)CS2)C[C@H]1C ZINC000828491263 636609116 /nfs/dbraw/zinc/60/91/16/636609116.db2.gz XWYWDELAZHTDRN-MNOVXSKESA-N 1 0 282.409 2.399 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000828666501 636650663 /nfs/dbraw/zinc/65/06/63/636650663.db2.gz FERDMEGRDYXAMZ-NSHDSACASA-N 1 0 292.379 2.097 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000829764416 636924756 /nfs/dbraw/zinc/92/47/56/636924756.db2.gz KOAUMKXPXGFJHV-HNNXBMFYSA-N 1 0 289.423 2.209 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](CCCO)C2)c1O ZINC000832783672 637670094 /nfs/dbraw/zinc/67/00/94/637670094.db2.gz SVAZVVHIJQKWIX-GFCCVEGCSA-N 1 0 295.354 2.328 20 10 CECDRO CC(C)COC[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834531205 637856380 /nfs/dbraw/zinc/85/63/80/637856380.db2.gz SDLRSQUFPAHPMZ-KBPBESRZSA-N 1 0 279.380 2.003 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000876646791 650373956 /nfs/dbraw/zinc/37/39/56/650373956.db2.gz ZJLXQZCCGOPGHP-AWEZNQCLSA-N 1 0 260.381 2.371 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2CCCO)c(O)c1 ZINC000834850405 637970900 /nfs/dbraw/zinc/97/09/00/637970900.db2.gz LXWZMWNTEXMLOG-LSDHHAIUSA-N 1 0 292.423 2.198 20 10 CECDRO CC[C@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)C(=O)NC ZINC000834910894 637986259 /nfs/dbraw/zinc/98/62/59/637986259.db2.gz GJRLGWMITDSSSC-STQMWFEESA-N 1 0 264.369 2.266 20 10 CECDRO C[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000835025938 638028650 /nfs/dbraw/zinc/02/86/50/638028650.db2.gz ONGWQKWHEUDFPN-WSNITJDQSA-N 1 0 259.397 2.060 20 10 CECDRO CC[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H]1O ZINC000835028884 638031376 /nfs/dbraw/zinc/03/13/76/638031376.db2.gz LVFMGBOFNJFZTM-AMFYOEQGSA-N 1 0 274.408 2.469 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCC[NH+](C)C)cc1 ZINC000835033322 638032287 /nfs/dbraw/zinc/03/22/87/638032287.db2.gz FHKXJQAJRBWSOK-FNORWQNLSA-N 1 0 261.413 2.307 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@H]2CCOC2)cc1 ZINC000835036077 638032947 /nfs/dbraw/zinc/03/29/47/638032947.db2.gz NAHMWWUVPZHEAB-NHZBNJEXSA-N 1 0 260.381 2.392 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCCNC2=O)cc1 ZINC000835037805 638033857 /nfs/dbraw/zinc/03/38/57/638033857.db2.gz XRUASKLPXUCXOX-JFDDCEBESA-N 1 0 287.407 2.024 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCCn2cncn2)cc1 ZINC000835038894 638034014 /nfs/dbraw/zinc/03/40/14/638034014.db2.gz UWTFKSHPLFWYMA-HWKANZROSA-N 1 0 285.395 2.037 20 10 CECDRO COCC[C@@](C)(O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835040503 638034701 /nfs/dbraw/zinc/03/47/01/638034701.db2.gz QFJJCKOHKOMUMD-FUTAKVPZSA-N 1 0 292.423 2.143 20 10 CECDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835050631 638040016 /nfs/dbraw/zinc/04/00/16/638040016.db2.gz QQEULYGWFKFGEF-LVQRLBQTSA-N 1 0 260.381 2.221 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2([S@](C)=O)CC2)cc1 ZINC000835052674 638040441 /nfs/dbraw/zinc/04/04/41/638040441.db2.gz PWVZDLZWUGRXNF-SGSXCFNPSA-N 1 0 292.448 2.267 20 10 CECDRO CCC1C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000835073409 638048206 /nfs/dbraw/zinc/04/82/06/638048206.db2.gz AIUGTMOLDCUNLO-UHFFFAOYSA-N 1 0 251.326 2.251 20 10 CECDRO C[C@@H]([NH2+]Cc1ccccc1O)C(=O)NCCc1ccccc1 ZINC000835072565 638048938 /nfs/dbraw/zinc/04/89/38/638048938.db2.gz HDJRCHRGTPZUFW-CQSZACIVSA-N 1 0 298.386 2.229 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cc1C ZINC000835073097 638048976 /nfs/dbraw/zinc/04/89/76/638048976.db2.gz KYJJEDBYRVMRGV-GJZGRUSLSA-N 1 0 288.391 2.252 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876783088 650430156 /nfs/dbraw/zinc/43/01/56/650430156.db2.gz ZNRNIKZDJSMMDP-OAHLLOKOSA-N 1 0 263.337 2.086 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000156574318 639362742 /nfs/dbraw/zinc/36/27/42/639362742.db2.gz JMGLBQOKJYOMHE-QWHCGFSZSA-N 1 0 277.412 2.084 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)C[NH3+] ZINC000164824778 639397184 /nfs/dbraw/zinc/39/71/84/639397184.db2.gz JGVQJXIOCBTCMH-UHFFFAOYSA-N 1 0 277.412 2.086 20 10 CECDRO C[N@H+](CCNC(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000165004189 639410098 /nfs/dbraw/zinc/41/00/98/639410098.db2.gz QPXKZSCQORIBQE-UHFFFAOYSA-N 1 0 289.423 2.192 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H]1CCOC1 ZINC000840892575 639575744 /nfs/dbraw/zinc/57/57/44/639575744.db2.gz BIMUBWNUZBFRMX-DZGCQCFKSA-N 1 0 262.397 2.371 20 10 CECDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933937 639590995 /nfs/dbraw/zinc/59/09/95/639590995.db2.gz KYYZRAHCGQJVCC-WFASDCNBSA-N 1 0 282.453 2.263 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)CC2(O)CCOCC2)c(Cl)c1 ZINC000840939486 639593867 /nfs/dbraw/zinc/59/38/67/639593867.db2.gz NXQSODBEASUHEH-UHFFFAOYSA-N 1 0 299.798 2.327 20 10 CECDRO COCC[C@@]1([NH2+]Cc2ccc(N(C)C)cc2C)CCOC1 ZINC000840940873 639594451 /nfs/dbraw/zinc/59/44/51/639594451.db2.gz MYNZDGYPPHLYKY-QGZVFWFLSA-N 1 0 292.423 2.346 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@H](CO)COC(C)C ZINC000840945734 639596685 /nfs/dbraw/zinc/59/66/85/639596685.db2.gz WMFTXBKKIXYHIJ-QGZVFWFLSA-N 1 0 294.439 2.279 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CCCOCC2)c(Cl)c1 ZINC000840948422 639598058 /nfs/dbraw/zinc/59/80/58/639598058.db2.gz HTMSRWLHNDQCNE-UHFFFAOYSA-N 1 0 298.814 2.166 20 10 CECDRO COC[C@@]1(CO)CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840951779 639599300 /nfs/dbraw/zinc/59/93/00/639599300.db2.gz KAZNWXPFZLGUCA-HNNXBMFYSA-N 1 0 299.798 2.185 20 10 CECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000841026517 639619997 /nfs/dbraw/zinc/61/99/97/639619997.db2.gz GLKOTPORZRUGAL-UHFFFAOYSA-N 1 0 258.724 2.026 20 10 CECDRO CCCC[C@@H](CN)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000841029760 639622935 /nfs/dbraw/zinc/62/29/35/639622935.db2.gz RTSPUPXGBSBOLF-LBPRGKRZSA-N 1 0 282.384 2.017 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2ccc(N)cc2)c1 ZINC000841034657 639626253 /nfs/dbraw/zinc/62/62/53/639626253.db2.gz JEPOUSLMXYIGTG-UHFFFAOYSA-N 1 0 272.348 2.315 20 10 CECDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1[O-] ZINC000841033595 639626416 /nfs/dbraw/zinc/62/64/16/639626416.db2.gz WRSQDWCNKBALNI-VIFPVBQESA-N 1 0 299.758 2.043 20 10 CECDRO COc1cccc(C[NH2+]C[C@H](N)c2ccccc2)c1O ZINC000841038553 639628802 /nfs/dbraw/zinc/62/88/02/639628802.db2.gz XZEZPZFLJDTAFO-AWEZNQCLSA-N 1 0 272.348 2.190 20 10 CECDRO Oc1ccccc1C[NH2+]CCCNCc1cccnc1 ZINC000841041117 639629703 /nfs/dbraw/zinc/62/97/03/639629703.db2.gz DMUYRHLIDLHADM-UHFFFAOYSA-N 1 0 271.364 2.057 20 10 CECDRO Cc1ncsc1CNC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045787 639631153 /nfs/dbraw/zinc/63/11/53/639631153.db2.gz QBZFNZIFLJWMGL-AWEZNQCLSA-N 1 0 290.436 2.307 20 10 CECDRO CCN(CC)c1ccc(CN[C@H]2CC[NH2+]C2)cc1F ZINC000841045493 639631244 /nfs/dbraw/zinc/63/12/44/639631244.db2.gz WONKDZFBAAICIW-ZDUSSCGKSA-N 1 0 265.376 2.123 20 10 CECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000841054963 639634334 /nfs/dbraw/zinc/63/43/34/639634334.db2.gz IQFICNMGYKHDLG-SECBINFHSA-N 1 0 272.751 2.416 20 10 CECDRO C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841063589 639639755 /nfs/dbraw/zinc/63/97/55/639639755.db2.gz LDIZLOUPQIMRMU-LDYMZIIASA-N 1 0 299.758 2.041 20 10 CECDRO CC[C@H]([NH3+])C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000841072546 639643336 /nfs/dbraw/zinc/64/33/36/639643336.db2.gz PLHBNAUNKWKPHF-JTQLQIEISA-N 1 0 287.201 2.290 20 10 CECDRO C[C@@H](CCC[NH3+])[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841078370 639647178 /nfs/dbraw/zinc/64/71/78/639647178.db2.gz BSCKTNZYWBFEES-QMMMGPOBSA-N 1 0 287.747 2.171 20 10 CECDRO Cc1ccc(O)c(CN[C@H](CC[NH3+])C(F)(F)F)c1 ZINC000841090543 639653266 /nfs/dbraw/zinc/65/32/66/639653266.db2.gz KFRZPHYULFIHFW-LLVKDONJSA-N 1 0 262.275 2.070 20 10 CECDRO COc1cccc(C[NH2+]CCc2nccs2)c1O ZINC000060942177 639663709 /nfs/dbraw/zinc/66/37/09/639663709.db2.gz YRBAVPVOQIRHDR-UHFFFAOYSA-N 1 0 264.350 2.190 20 10 CECDRO CCOc1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)c(O)c1 ZINC000841105667 639676527 /nfs/dbraw/zinc/67/65/27/639676527.db2.gz WTGWWLOZLIJGFX-MRXNPFEDSA-N 1 0 276.380 2.119 20 10 CECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(N)cc2)[C@@H](C)C1 ZINC000841298926 639732232 /nfs/dbraw/zinc/73/22/32/639732232.db2.gz URZUCUSXAKXWFP-SWLSCSKDSA-N 1 0 290.411 2.463 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCC(=O)NCc1ccccc1 ZINC000876991749 650522704 /nfs/dbraw/zinc/52/27/04/650522704.db2.gz UALHAPVRGRHGTJ-UHFFFAOYSA-N 1 0 298.386 2.497 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CCOC2)c1 ZINC000230672494 639778506 /nfs/dbraw/zinc/77/85/06/639778506.db2.gz AWKNSDHXVJRQOJ-NWDGAFQWSA-N 1 0 265.353 2.478 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccn(C)n2)c(O)c1 ZINC000230897887 639805004 /nfs/dbraw/zinc/80/50/04/639805004.db2.gz YHKSUOPWBUOHCP-GFCCVEGCSA-N 1 0 259.353 2.327 20 10 CECDRO COc1ccc(O)c(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063191912 639837206 /nfs/dbraw/zinc/83/72/06/639837206.db2.gz PIVXBQGBGUSJLX-BXUZGUMPSA-N 1 0 264.369 2.103 20 10 CECDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(Cl)cc1O ZINC000841751514 639859110 /nfs/dbraw/zinc/85/91/10/639859110.db2.gz HPDISXBYPFDRRY-ZETCQYMHSA-N 1 0 292.713 2.078 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]Cc2ccno2)c1O ZINC000231883169 639882162 /nfs/dbraw/zinc/88/21/62/639882162.db2.gz YEPQUGOBSUNERM-UHFFFAOYSA-N 1 0 268.700 2.332 20 10 CECDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000841950649 639910351 /nfs/dbraw/zinc/91/03/51/639910351.db2.gz VEGZINYDABREPN-GXTWGEPZSA-N 1 0 291.395 2.051 20 10 CECDRO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC2(COC2)C1 ZINC000827644671 639985927 /nfs/dbraw/zinc/98/59/27/639985927.db2.gz QHDUBTYCEHJNFS-UHFFFAOYSA-N 1 0 271.719 2.407 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[NH2+]C[C@H]2C)c1O ZINC000842474800 640074295 /nfs/dbraw/zinc/07/42/95/640074295.db2.gz XELFTLBFINUNGR-NXEZZACHSA-N 1 0 296.798 2.430 20 10 CECDRO COc1ncncc1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000842680854 640148124 /nfs/dbraw/zinc/14/81/24/640148124.db2.gz CBPCGIUSECICOQ-UHFFFAOYSA-N 1 0 286.379 2.149 20 10 CECDRO CCn1ncnc1C[NH2+]CCCSc1nccs1 ZINC000877061918 650554565 /nfs/dbraw/zinc/55/45/65/650554565.db2.gz VDDWFWDRNQCXGG-UHFFFAOYSA-N 1 0 283.426 2.027 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000842912130 640220463 /nfs/dbraw/zinc/22/04/63/640220463.db2.gz RDOSLZQSGANYEM-RGYTYGDFSA-N 1 0 291.391 2.335 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000842913311 640220666 /nfs/dbraw/zinc/22/06/66/640220666.db2.gz ZHLNGEOQCZQKJO-UORFTKCHSA-N 1 0 281.327 2.083 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000877075913 650560956 /nfs/dbraw/zinc/56/09/56/650560956.db2.gz SJYMIXMIHHWJHV-UHFFFAOYSA-N 1 0 292.379 2.410 20 10 CECDRO CN(C(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1ccc(N)cc1 ZINC000877077720 650561945 /nfs/dbraw/zinc/56/19/45/650561945.db2.gz RYYSTDNWEAJENN-ZFWWWQNUSA-N 1 0 261.369 2.139 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843046350 640251506 /nfs/dbraw/zinc/25/15/06/640251506.db2.gz XCUASCRFQZALRG-WFASDCNBSA-N 1 0 278.371 2.495 20 10 CECDRO CN(C)c1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1F ZINC000843047849 640253066 /nfs/dbraw/zinc/25/30/66/640253066.db2.gz YSSPKFNWSIMSRA-ZDUSSCGKSA-N 1 0 265.376 2.062 20 10 CECDRO C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@@H](C)[NH2+]1 ZINC000843049813 640253449 /nfs/dbraw/zinc/25/34/49/640253449.db2.gz WBEUZUKDWHPSPK-XEVLESSRSA-N 1 0 273.424 2.448 20 10 CECDRO Cc1cc(Br)cc(CN(C)[C@@H]2CC[NH2+]C2)c1O ZINC000843049054 640253842 /nfs/dbraw/zinc/25/38/42/640253842.db2.gz FDFFMOHNUTZIIV-GFCCVEGCSA-N 1 0 299.212 2.257 20 10 CECDRO CCCN(Cc1cc(OCC)ccc1O)[C@@H]1CC[NH2+]C1 ZINC000843051753 640254848 /nfs/dbraw/zinc/25/48/48/640254848.db2.gz DCOKBKBIUVVHCI-CQSZACIVSA-N 1 0 278.396 2.365 20 10 CECDRO C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[C@H]1[NH3+] ZINC000843052263 640255855 /nfs/dbraw/zinc/25/58/55/640255855.db2.gz RGCUOZWOCKUNFT-SMDDNHRTSA-N 1 0 265.376 2.061 20 10 CECDRO [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3[O-])C[C@@H]21 ZINC000843059282 640261199 /nfs/dbraw/zinc/26/11/99/640261199.db2.gz JBZZVXGKYFFZAD-VHRBIJSZSA-N 1 0 264.344 2.091 20 10 CECDRO COc1cc(Cl)cc(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1O ZINC000843066304 640265735 /nfs/dbraw/zinc/26/57/35/640265735.db2.gz UOQDNJPBWOWZRZ-AOOOYVTPSA-N 1 0 284.787 2.236 20 10 CECDRO CN(C)c1ccc(CN2CCC(C)([NH3+])CC2)cc1F ZINC000843108107 640284153 /nfs/dbraw/zinc/28/41/53/640284153.db2.gz RLGYZYYLLXHVGA-UHFFFAOYSA-N 1 0 265.376 2.205 20 10 CECDRO COc1cccc(O)c1CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000843115719 640286085 /nfs/dbraw/zinc/28/60/85/640286085.db2.gz PYZRGOZWCYIPLM-GOEBONIOSA-N 1 0 298.386 2.328 20 10 CECDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1c(O)cccc1Cl ZINC000843121734 640289139 /nfs/dbraw/zinc/28/91/39/640289139.db2.gz JDMYLJZKRPRRNC-UWVGGRQHSA-N 1 0 272.751 2.177 20 10 CECDRO COc1cccc(CN[C@H]2CC[NH2+]C23CCCC3)c1O ZINC000843127237 640294286 /nfs/dbraw/zinc/29/42/86/640294286.db2.gz CXDJUDCJLKJPJZ-AWEZNQCLSA-N 1 0 276.380 2.165 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)/C=C\C(C)(C)C)cc1 ZINC000843298118 640380854 /nfs/dbraw/zinc/38/08/54/640380854.db2.gz MJTQQUWURDPKGS-WOLCWHLNSA-N 1 0 289.423 2.471 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000843362451 640404259 /nfs/dbraw/zinc/40/42/59/640404259.db2.gz HJAPJFSFDMGZKO-GXSJLCMTSA-N 1 0 296.798 2.417 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000844166549 640622224 /nfs/dbraw/zinc/62/22/24/640622224.db2.gz DRZZGBQYLBYHDW-MRXNPFEDSA-N 1 0 289.423 2.243 20 10 CECDRO C[C@@H](CNC(=O)Cc1ccc(N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000844171219 640623309 /nfs/dbraw/zinc/62/33/09/640623309.db2.gz HABVOROWJKVLDT-KGLIPLIRSA-N 1 0 289.423 2.190 20 10 CECDRO O=C1CC[C@@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)N1 ZINC000844295409 640662412 /nfs/dbraw/zinc/66/24/12/640662412.db2.gz AVTWCFPRUQEYCY-AWEZNQCLSA-N 1 0 288.391 2.415 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2cncc(C)n2)c1 ZINC000844311808 640671400 /nfs/dbraw/zinc/67/14/00/640671400.db2.gz FWMUBEZMNIXBSE-GFCCVEGCSA-N 1 0 287.363 2.393 20 10 CECDRO CCOCCC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402086 640708354 /nfs/dbraw/zinc/70/83/54/640708354.db2.gz UMDCNEKFODAWKW-UHFFFAOYSA-N 1 0 280.412 2.490 20 10 CECDRO Cc1cc(C[N@@H+](C)[C@@H](C)CCO)ccc1N(C)C ZINC000844451600 640732753 /nfs/dbraw/zinc/73/27/53/640732753.db2.gz SOZKVMTUNQFUEF-ZDUSSCGKSA-N 1 0 250.386 2.264 20 10 CECDRO CC[C@@H]([NH2+]Cc1cnn(CC)n1)c1ccccc1O ZINC000845991274 641145612 /nfs/dbraw/zinc/14/56/12/641145612.db2.gz AKSVUIDUHYCYDC-CYBMUJFWSA-N 1 0 260.341 2.245 20 10 CECDRO CCN1C[C@@H](C[NH2+]Cc2cc(Cl)cc(C)c2O)CC1=O ZINC000846096683 641181261 /nfs/dbraw/zinc/18/12/61/641181261.db2.gz JZQBHLZCOSEIEF-LLVKDONJSA-N 1 0 296.798 2.312 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CN2CCCC2=O)c1O ZINC000846145049 641200644 /nfs/dbraw/zinc/20/06/44/641200644.db2.gz OHBXYXSHOMLUOK-RYUDHWBXSA-N 1 0 292.379 2.062 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)CCO)c1O ZINC000846149129 641203019 /nfs/dbraw/zinc/20/30/19/641203019.db2.gz VZZVNLFLUAZHNG-WDEREUQCSA-N 1 0 253.342 2.070 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)c1O ZINC000846154340 641206004 /nfs/dbraw/zinc/20/60/04/641206004.db2.gz PYPUTIDQBKAVDI-FDMGOTLNSA-N 1 0 285.409 2.209 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1O ZINC000846155311 641206030 /nfs/dbraw/zinc/20/60/30/641206030.db2.gz POAVJCKMXBKUEY-NWDGAFQWSA-N 1 0 292.379 2.061 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]Cc2snnc2C)c1O ZINC000846170426 641212025 /nfs/dbraw/zinc/21/20/25/641212025.db2.gz NPZXBQPCJLWQMN-MRVPVSSYSA-N 1 0 279.365 2.412 20 10 CECDRO C[C@@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1O ZINC000877256080 650644156 /nfs/dbraw/zinc/64/41/56/650644156.db2.gz MRDHLFIUIVFNRZ-XFJVYGCCSA-N 1 0 274.364 2.102 20 10 CECDRO C[C@H](NC(=O)/C=C\[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000877256978 650644392 /nfs/dbraw/zinc/64/43/92/650644392.db2.gz INZKWLPXKAIMCN-GFUJYOBASA-N 1 0 274.364 2.125 20 10 CECDRO C[C@@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1ccccc1O ZINC000877255875 650644426 /nfs/dbraw/zinc/64/44/26/650644426.db2.gz JIEISDHTQSDWFG-BXUZGUMPSA-N 1 0 276.380 2.348 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000846673985 641385810 /nfs/dbraw/zinc/38/58/10/641385810.db2.gz UMDGGQAEYSRKLL-CQSZACIVSA-N 1 0 289.423 2.067 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N[C@@H](C)C(C)C)c1 ZINC000182406097 641655647 /nfs/dbraw/zinc/65/56/47/641655647.db2.gz MTXOGXRCCGHPTO-RYUDHWBXSA-N 1 0 294.395 2.212 20 10 CECDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc(N(C)C)cc1 ZINC000107092182 641756745 /nfs/dbraw/zinc/75/67/45/641756745.db2.gz ZADFMKOYODUUMG-INIZCTEOSA-N 1 0 261.413 2.327 20 10 CECDRO CCOC(=O)CCC[NH2+][C@H](C)c1ccccc1O ZINC000081545518 641902786 /nfs/dbraw/zinc/90/27/86/641902786.db2.gz SWHUHZPZRLVYAC-LLVKDONJSA-N 1 0 251.326 2.386 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCCCS(C)(=O)=O)cc1C ZINC000185214376 641952679 /nfs/dbraw/zinc/95/26/79/641952679.db2.gz JVOYRHGEAPGBPK-UHFFFAOYSA-N 1 0 299.436 2.314 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@](C)(CO)OC)cc1 ZINC000848558238 642052540 /nfs/dbraw/zinc/05/25/40/642052540.db2.gz KOVWHXWRBOLIQL-BBRMVZONSA-N 1 0 280.412 2.191 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)c(O)c1 ZINC000877429724 650716579 /nfs/dbraw/zinc/71/65/79/650716579.db2.gz MEJRWFPMFNIPKJ-CYBMUJFWSA-N 1 0 257.337 2.002 20 10 CECDRO CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1ccc(C)cc1O ZINC000877440516 650722906 /nfs/dbraw/zinc/72/29/06/650722906.db2.gz AWSUORYMUPQXCL-AWEZNQCLSA-N 1 0 276.380 2.143 20 10 CECDRO CCOc1ccc(C[N@H+](CCCO)C2CC2)c(O)c1 ZINC000769405818 642134141 /nfs/dbraw/zinc/13/41/41/642134141.db2.gz YPEZDGBDQHWSSH-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO CCc1cccc(C[N@@H+]2CCN(C(C)=O)C[C@H]2C)c1O ZINC000848887060 642171614 /nfs/dbraw/zinc/17/16/14/642171614.db2.gz MPGNCNRBBFDBSE-GFCCVEGCSA-N 1 0 276.380 2.007 20 10 CECDRO CCc1cccc(C[N@H+](C)C[C@H]2CCN(C(C)=O)C2)c1O ZINC000848890847 642174681 /nfs/dbraw/zinc/17/46/81/642174681.db2.gz UPMRXSWEDVTOPT-CQSZACIVSA-N 1 0 290.407 2.255 20 10 CECDRO CCc1cccc(C[NH2+]CC2CCN(C(C)=O)CC2)c1O ZINC000848896195 642175480 /nfs/dbraw/zinc/17/54/80/642175480.db2.gz UZGVIZMWVFATEH-UHFFFAOYSA-N 1 0 290.407 2.303 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1O ZINC000848899160 642178039 /nfs/dbraw/zinc/17/80/39/642178039.db2.gz DFGQZXPASVDGRH-DOTOQJQBSA-N 1 0 291.391 2.382 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)c1O ZINC000848904454 642181554 /nfs/dbraw/zinc/18/15/54/642181554.db2.gz UKNUPKZUYFBHRO-CHWSQXEVSA-N 1 0 262.397 2.479 20 10 CECDRO CCc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(C)C)c1O ZINC000848906483 642183145 /nfs/dbraw/zinc/18/31/45/642183145.db2.gz WYVAKXUTUNCPPS-HNNXBMFYSA-N 1 0 290.407 2.301 20 10 CECDRO CN(C)c1cc(F)c(C[N@H+](C)CC2CC(O)C2)cc1F ZINC000877466168 650732321 /nfs/dbraw/zinc/73/23/21/650732321.db2.gz ZUASIQYFMGWUCY-UHFFFAOYSA-N 1 0 284.350 2.234 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])NC(C)(C)C ZINC000849009260 642225302 /nfs/dbraw/zinc/22/53/02/642225302.db2.gz QOJFOTHKRVZGOE-UHFFFAOYSA-N 1 0 262.401 2.473 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])N(C)C1CC1 ZINC000849009333 642226322 /nfs/dbraw/zinc/22/63/22/642226322.db2.gz VQGGGICXDRUTSW-UHFFFAOYSA-N 1 0 260.385 2.180 20 10 CECDRO CN1CCC[NH+]=C1NCc1c(O)ccc2c1CCCC2 ZINC000849011129 642227694 /nfs/dbraw/zinc/22/76/94/642227694.db2.gz VJWSWPUUPXNVFK-UHFFFAOYSA-N 1 0 273.380 2.052 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)cc1 ZINC000773104977 642566144 /nfs/dbraw/zinc/56/61/44/642566144.db2.gz PMHJKATVJIKPPW-QWHCGFSZSA-N 1 0 298.452 2.226 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccccn3)C2)cc1 ZINC000850345758 642674537 /nfs/dbraw/zinc/67/45/37/642674537.db2.gz JTCJCSRQHIHBAZ-OAHLLOKOSA-N 1 0 283.375 2.459 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3c[nH]nc3C)C2)cc1 ZINC000850345599 642674574 /nfs/dbraw/zinc/67/45/74/642674574.db2.gz FSWBFRIHEMNTDC-CQSZACIVSA-N 1 0 286.379 2.095 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000850388274 642695313 /nfs/dbraw/zinc/69/53/13/642695313.db2.gz KNKLLKZOSCLUBM-HUUCEWRRSA-N 1 0 260.381 2.146 20 10 CECDRO C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921825242 642695363 /nfs/dbraw/zinc/69/53/63/642695363.db2.gz KZXZDZJTLKKYEL-CJNGLKHVSA-N 1 0 291.391 2.295 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H]2C[C@]2(C)OC)ccc1OC ZINC000850409712 642703218 /nfs/dbraw/zinc/70/32/18/642703218.db2.gz YXZYFXTXWMMGNK-CVEARBPZSA-N 1 0 279.380 2.499 20 10 CECDRO c1cc2n(n1)CCC[C@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000850431026 642710242 /nfs/dbraw/zinc/71/02/42/642710242.db2.gz YIORVAPLHVQBMQ-CQSZACIVSA-N 1 0 269.348 2.443 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN(C)OC)cc1 ZINC000850481131 642728170 /nfs/dbraw/zinc/72/81/70/642728170.db2.gz XMOMXWKCZAFNCG-ZDUSSCGKSA-N 1 0 265.401 2.287 20 10 CECDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1O)[C@@H]1CCOC1 ZINC000850484291 642729143 /nfs/dbraw/zinc/72/91/43/642729143.db2.gz GKEYJPUYBQXPCU-YWPYICTPSA-N 1 0 265.353 2.094 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)C2CCC2)c1O ZINC000850487222 642729924 /nfs/dbraw/zinc/72/99/24/642729924.db2.gz GRLVGLBFOHHOPW-GWCFXTLKSA-N 1 0 265.353 2.212 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(C)cc1O ZINC000850545763 642747233 /nfs/dbraw/zinc/74/72/33/642747233.db2.gz DXZIOCFESKFOIG-WCQYABFASA-N 1 0 262.353 2.020 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1C[C@@H](O)C13CCC3)CC2 ZINC000850547845 642749183 /nfs/dbraw/zinc/74/91/83/642749183.db2.gz XIQCTVQJGCOEFW-KWCYVHTRSA-N 1 0 259.349 2.273 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1nccn1C ZINC000850573221 642754670 /nfs/dbraw/zinc/75/46/70/642754670.db2.gz XCJBSLLZOHUFNH-PWSUYJOCSA-N 1 0 257.337 2.464 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000922286424 643001467 /nfs/dbraw/zinc/00/14/67/643001467.db2.gz XOPAQSAHSCNPHA-UHFFFAOYSA-N 1 0 296.168 2.476 20 10 CECDRO COc1cc(C[NH2+]C[C@H]2CCN2C)c(O)c(C(C)(C)C)c1 ZINC000922574700 643133478 /nfs/dbraw/zinc/13/34/78/643133478.db2.gz QAPZDBAXJCNTRF-CYBMUJFWSA-N 1 0 292.423 2.492 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@@H](OC)C3CC3)C2)cc1 ZINC000877620006 650816895 /nfs/dbraw/zinc/81/68/95/650816895.db2.gz BCNUNUKRDXXRGX-RHSMWYFYSA-N 1 0 290.407 2.289 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)C[NH+](C)C(C)C ZINC000851792039 643163985 /nfs/dbraw/zinc/16/39/85/643163985.db2.gz JXFHFYFUNHOUIT-INIZCTEOSA-N 1 0 294.439 2.305 20 10 CECDRO COc1ccc(C[NH2+]CCc2cc(C)n(C)n2)cc1C ZINC000922689094 643205213 /nfs/dbraw/zinc/20/52/13/643205213.db2.gz BLCOBIYJOANIOV-UHFFFAOYSA-N 1 0 273.380 2.378 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 ZINC000922724875 643225518 /nfs/dbraw/zinc/22/55/18/643225518.db2.gz VUKAWXNUOOJYIG-CFVMTHIKSA-N 1 0 259.349 2.381 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C[C@@H]1C ZINC000877636403 650827729 /nfs/dbraw/zinc/82/77/29/650827729.db2.gz WHEOCPWKBWZREW-QWHCGFSZSA-N 1 0 277.364 2.332 20 10 CECDRO CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C[C@@H]2O1 ZINC000922875812 643302898 /nfs/dbraw/zinc/30/28/98/643302898.db2.gz OIWULSXOPYRKRQ-MKZZRHPPSA-N 1 0 289.375 2.394 20 10 CECDRO COc1cccc(C[NH2+]Cc2cc(C3CC3)n(C)n2)c1O ZINC000922957428 643479776 /nfs/dbraw/zinc/47/97/76/643479776.db2.gz WXDQMEWELZVXFP-UHFFFAOYSA-N 1 0 287.363 2.302 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2C[C@H](CO)C2)ccc1OC ZINC000923007742 643507598 /nfs/dbraw/zinc/50/75/98/643507598.db2.gz NMNOYEWSSYAMTR-CTYIDZIISA-N 1 0 279.380 2.092 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1O ZINC000877683582 650848890 /nfs/dbraw/zinc/84/88/90/650848890.db2.gz YIFCQYXKWUWPRI-IPVBOJNNSA-N 1 0 259.349 2.214 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000852883544 643587828 /nfs/dbraw/zinc/58/78/28/643587828.db2.gz YNYHMVRTCZQUQA-OAHLLOKOSA-N 1 0 289.423 2.099 20 10 CECDRO Cc1ccc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c(O)c1 ZINC000877693717 650853754 /nfs/dbraw/zinc/85/37/54/650853754.db2.gz ORERKHVRBOMMLE-KWQFWETISA-N 1 0 263.259 2.102 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@H](O)C(F)(F)F ZINC000877693761 650854378 /nfs/dbraw/zinc/85/43/78/650854378.db2.gz QCMZRABCHJXNDP-ZWNOBZJWSA-N 1 0 290.329 2.462 20 10 CECDRO CN(C)c1ccc(CN(C)[C@H]2C[NH+]3CCC2CC3)cc1F ZINC000877706642 650862537 /nfs/dbraw/zinc/86/25/37/650862537.db2.gz PHPOMKJHVUJACA-KRWDZBQOSA-N 1 0 291.414 2.418 20 10 CECDRO C[C@H](NCC12CC(C1)C[NH2+]2)c1cc(F)cc(F)c1[O-] ZINC000854227378 644016672 /nfs/dbraw/zinc/01/66/72/644016672.db2.gz NUMOUIBRDDDNTL-JUXJKVCFSA-N 1 0 268.307 2.073 20 10 CECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000839147508 644158156 /nfs/dbraw/zinc/15/81/56/644158156.db2.gz LBNJABPOXCPWAO-WOVMCDHWSA-N 1 0 290.407 2.180 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CC(C)(COC)C2)c1 ZINC000839145757 644158171 /nfs/dbraw/zinc/15/81/71/644158171.db2.gz TYIADSGLNUTFDH-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO COc1ccc([C@H](CO)C[NH2+]Cc2ccccc2O)cc1 ZINC000839185309 644182689 /nfs/dbraw/zinc/18/26/89/644182689.db2.gz SHUCDBWBDPBQCB-HNNXBMFYSA-N 1 0 287.359 2.267 20 10 CECDRO CCn1nccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000753850090 644286632 /nfs/dbraw/zinc/28/66/32/644286632.db2.gz YSXRBENUXMFMQY-UHFFFAOYSA-N 1 0 257.337 2.128 20 10 CECDRO COc1cc(C)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000754738355 644421996 /nfs/dbraw/zinc/42/19/96/644421996.db2.gz ZOCWCROUSHFOHP-BETUJISGSA-N 1 0 263.337 2.072 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCOC[C@H](C)C2)c1O ZINC000754749255 644423561 /nfs/dbraw/zinc/42/35/61/644423561.db2.gz ZPSJSQUPPDFLEE-GFCCVEGCSA-N 1 0 265.353 2.178 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000756137170 644608812 /nfs/dbraw/zinc/60/88/12/644608812.db2.gz JBZFQEVTOUAXLS-UHFFFAOYSA-N 1 0 286.331 2.060 20 10 CECDRO C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000756544547 644662694 /nfs/dbraw/zinc/66/26/94/644662694.db2.gz KDTYWIQAEJZKIF-NWDGAFQWSA-N 1 0 298.814 2.417 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756555118 644664528 /nfs/dbraw/zinc/66/45/28/644664528.db2.gz RGWZWFNTZXZMAK-VXGBXAGGSA-N 1 0 293.367 2.293 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCOC[C@@H]2CCOC2)c1 ZINC000756565808 644668889 /nfs/dbraw/zinc/66/88/89/644668889.db2.gz YTBTVPNPRKDUOP-QWHCGFSZSA-N 1 0 295.379 2.105 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756583610 644672485 /nfs/dbraw/zinc/67/24/85/644672485.db2.gz CIMWWDOKVZLHDL-PKWAYOAASA-N 1 0 297.370 2.457 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756775462 644691112 /nfs/dbraw/zinc/69/11/12/644691112.db2.gz QPHDNDCCRQMSAI-YRGRVCCFSA-N 1 0 276.380 2.266 20 10 CECDRO COCC1([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000756849927 644700091 /nfs/dbraw/zinc/70/00/91/644700091.db2.gz HGVBMGBSRZBOBB-JTQLQIEISA-N 1 0 251.326 2.230 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]3COCC[C@H]31)OCO2 ZINC000756887107 644706748 /nfs/dbraw/zinc/70/67/48/644706748.db2.gz MUJXBNZYQWBEFG-WCQYABFASA-N 1 0 291.347 2.122 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2cc(C)ncn2)c1O ZINC000756991553 644716132 /nfs/dbraw/zinc/71/61/32/644716132.db2.gz VKIFMHDXVJSHAS-UHFFFAOYSA-N 1 0 273.336 2.179 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1O ZINC000839668896 644764076 /nfs/dbraw/zinc/76/40/76/644764076.db2.gz JZVFRRIFDSJDPF-PWSUYJOCSA-N 1 0 295.354 2.327 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C2COC(C)(C)OC2)c1 ZINC000757698398 644837559 /nfs/dbraw/zinc/83/75/59/644837559.db2.gz QPQPBVAJYXIHJQ-JTQLQIEISA-N 1 0 281.352 2.203 20 10 CECDRO CCOc1ccc(C[NH2+]CCC[C@@H](C)CO)c(O)c1 ZINC000758577348 644942533 /nfs/dbraw/zinc/94/25/33/644942533.db2.gz DSSIDFLPFWQUFX-GFCCVEGCSA-N 1 0 267.369 2.289 20 10 CECDRO CN(C)c1cc(F)c(CNC[C@@H](C2CC2)[NH+](C)C)cc1F ZINC000858101071 645061498 /nfs/dbraw/zinc/06/14/98/645061498.db2.gz YDBXLVXQPLAKGW-INIZCTEOSA-N 1 0 297.393 2.461 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CCOCCF)cc1F ZINC000858195862 645085947 /nfs/dbraw/zinc/08/59/47/645085947.db2.gz DOYAUODYSNDIPK-UHFFFAOYSA-N 1 0 276.302 2.107 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@H]2CCCN2C)ccc1OC ZINC000858235739 645094617 /nfs/dbraw/zinc/09/46/17/645094617.db2.gz PFQPYLPUCCHEJB-MRXNPFEDSA-N 1 0 292.423 2.416 20 10 CECDRO FC(F)CN1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000858232091 645094971 /nfs/dbraw/zinc/09/49/71/645094971.db2.gz SOLFORBYFKWKGR-AWEZNQCLSA-N 1 0 296.361 2.441 20 10 CECDRO COc1cccc(C[NH2+][C@H](CO)CCC(C)C)c1O ZINC000858241347 645096447 /nfs/dbraw/zinc/09/64/47/645096447.db2.gz PTBKSIXPWBEBEZ-ZDUSSCGKSA-N 1 0 267.369 2.288 20 10 CECDRO COc1cccc(C[NH2+][C@@H](CO)CCC(C)C)c1O ZINC000858241346 645096832 /nfs/dbraw/zinc/09/68/32/645096832.db2.gz PTBKSIXPWBEBEZ-CYBMUJFWSA-N 1 0 267.369 2.288 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)cc1 ZINC000858470373 645171230 /nfs/dbraw/zinc/17/12/30/645171230.db2.gz YYTOHJWFPOMBOC-RRQGHBQHSA-N 1 0 292.423 2.333 20 10 CECDRO COc1ccc(N2CC[C@@H](Nc3cc[nH+]c(CO)c3)C2)cc1 ZINC000858620349 645223193 /nfs/dbraw/zinc/22/31/93/645223193.db2.gz BYTKHHKYFDJFIG-CQSZACIVSA-N 1 0 299.374 2.273 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccco2)c1O ZINC000761199190 645256180 /nfs/dbraw/zinc/25/61/80/645256180.db2.gz XEOQFVADVYZQTA-NSHDSACASA-N 1 0 297.738 2.470 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000763784434 645577488 /nfs/dbraw/zinc/57/74/88/645577488.db2.gz ZQPHTIJJBIJLJL-WFASDCNBSA-N 1 0 288.391 2.499 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000765796071 645810920 /nfs/dbraw/zinc/81/09/20/645810920.db2.gz MLZXRRWJIJIUKC-KGLIPLIRSA-N 1 0 276.380 2.013 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCN(C)CC1 ZINC000766029884 645837120 /nfs/dbraw/zinc/83/71/20/645837120.db2.gz PCWOYXLTHRWBCQ-UHFFFAOYSA-N 1 0 261.413 2.245 20 10 CECDRO CCCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441770 646122499 /nfs/dbraw/zinc/12/24/99/646122499.db2.gz MTCVSCDAKGBWEB-ZDUSSCGKSA-N 1 0 251.326 2.050 20 10 CECDRO CSC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464007 646126567 /nfs/dbraw/zinc/12/65/67/646126567.db2.gz YTWMQEVAEFLGPZ-RISCZKNCSA-N 1 0 295.404 2.145 20 10 CECDRO COc1cc(C[N@@H+]2CCOC[C@H](C)C2)c(O)cc1C ZINC000768466028 646128569 /nfs/dbraw/zinc/12/85/69/646128569.db2.gz VROSHAPABZTZKJ-LLVKDONJSA-N 1 0 265.353 2.178 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c(O)c1 ZINC000768518949 646134890 /nfs/dbraw/zinc/13/48/90/646134890.db2.gz JRIJIKBADOPYFK-CHWSQXEVSA-N 1 0 279.380 2.384 20 10 CECDRO C[NH+](C)Cc1ccsc1C(=O)NCc1ccccc1O ZINC000769363573 646251561 /nfs/dbraw/zinc/25/15/61/646251561.db2.gz VIHCYYJOUHSDKM-UHFFFAOYSA-N 1 0 290.388 2.445 20 10 CECDRO CC[N@@H+]1C[C@H](C)N(Cc2cccc(OC)c2O)C[C@H]1C ZINC000769465543 646272587 /nfs/dbraw/zinc/27/25/87/646272587.db2.gz HEBSJBBSLMAZPI-OLZOCXBDSA-N 1 0 278.396 2.315 20 10 CECDRO CC[N@H+](C)C[C@H]1CCN(Cc2c(O)cccc2OC)C1 ZINC000769516325 646280355 /nfs/dbraw/zinc/28/03/55/646280355.db2.gz SHVTWIQYFVHMOM-CYBMUJFWSA-N 1 0 278.396 2.174 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c(O)c1 ZINC000769528743 646282681 /nfs/dbraw/zinc/28/26/81/646282681.db2.gz ZBOFWHLVRKQREF-MRXNPFEDSA-N 1 0 293.363 2.176 20 10 CECDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862308451 646399495 /nfs/dbraw/zinc/39/94/95/646399495.db2.gz ARXJEYNXINPZKO-WDEREUQCSA-N 1 0 284.350 2.234 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](CO)c2ccsc2)c1 ZINC000770667510 646423119 /nfs/dbraw/zinc/42/31/19/646423119.db2.gz GUEDCJQQERWPJH-CYBMUJFWSA-N 1 0 279.361 2.286 20 10 CECDRO Cc1cc(C)c(O)c(C[N@H+](C)CCc2cnccn2)c1 ZINC000770662354 646423289 /nfs/dbraw/zinc/42/32/89/646423289.db2.gz SGDSSUVSMLXJGK-UHFFFAOYSA-N 1 0 271.364 2.474 20 10 CECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000862488079 646478791 /nfs/dbraw/zinc/47/87/91/646478791.db2.gz BCJIPWYGARSHBS-ZDUSSCGKSA-N 1 0 291.347 2.142 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc[nH]c1=O ZINC000862536950 646488834 /nfs/dbraw/zinc/48/88/34/646488834.db2.gz ZAQLMKUHHAFWMZ-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCO[C@@](C)(COC)C2)c1O ZINC000862550995 646496363 /nfs/dbraw/zinc/49/63/63/646496363.db2.gz IZRIFUKYIYUPMD-MRXNPFEDSA-N 1 0 295.379 2.028 20 10 CECDRO Cc1ccc(O)c(CNC(=O)c2c[nH+]ccc2N(C)C)c1 ZINC000862757573 646558971 /nfs/dbraw/zinc/55/89/71/646558971.db2.gz YWGTZKUMCBQFAU-UHFFFAOYSA-N 1 0 285.347 2.092 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1 ZINC000773751731 646772571 /nfs/dbraw/zinc/77/25/71/646772571.db2.gz GKRDHHJQJYZRCQ-QGZVFWFLSA-N 1 0 292.423 2.116 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)cc1 ZINC000773887130 646785001 /nfs/dbraw/zinc/78/50/01/646785001.db2.gz BJBAGRDBZWTGLL-BBRMVZONSA-N 1 0 262.397 2.345 20 10 CECDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000774830411 646900329 /nfs/dbraw/zinc/90/03/29/646900329.db2.gz CNUWGFNUZHOHKH-GWCFXTLKSA-N 1 0 279.336 2.026 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)c1 ZINC000775369990 646946540 /nfs/dbraw/zinc/94/65/40/646946540.db2.gz JQEPAPUWHBEDMP-OCCSQVGLSA-N 1 0 295.379 2.247 20 10 CECDRO CCOc1ccc(C[NH2+]CCC(C)(C)O)c(O)c1 ZINC000775370600 646946638 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Oc1cc2c(cc1C[N@@H+]1CCO[C@H](C3CC3)C1)CCC2 ZINC000776770412 647088543 /nfs/dbraw/zinc/08/85/43/647088543.db2.gz AGEBZRNOOODEKT-KRWDZBQOSA-N 1 0 273.376 2.492 20 10 CECDRO COc1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)c(O)cc1C ZINC000776769204 647088754 /nfs/dbraw/zinc/08/87/54/647088754.db2.gz TUJXOYUDUWEHDE-INIZCTEOSA-N 1 0 277.364 2.320 20 10 CECDRO COC(=O)CC1([NH2+]Cc2cccc(C)c2O)CCC1 ZINC000777440681 647136598 /nfs/dbraw/zinc/13/65/98/647136598.db2.gz IZNZQTKDAFJMEL-UHFFFAOYSA-N 1 0 263.337 2.276 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)cc1 ZINC000865692845 647426102 /nfs/dbraw/zinc/42/61/02/647426102.db2.gz GTUUCVRXJZYIOC-AYIQCDPPSA-N 1 0 272.392 2.266 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCC[C@@H]2O)cc1 ZINC000865736987 647445491 /nfs/dbraw/zinc/44/54/91/647445491.db2.gz XPXXVZQHCKRRLH-UDLYIEAKSA-N 1 0 260.381 2.269 20 10 CECDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000780891980 647477371 /nfs/dbraw/zinc/47/73/71/647477371.db2.gz FQTKSJZEJRFALO-OCCSQVGLSA-N 1 0 280.387 2.485 20 10 CECDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000780891979 647477661 /nfs/dbraw/zinc/47/76/61/647477661.db2.gz FQTKSJZEJRFALO-JSGCOSHPSA-N 1 0 280.387 2.485 20 10 CECDRO COc1cccc(C[NH2+]CC[C@H](O)C2CCCC2)c1O ZINC000865874761 647517436 /nfs/dbraw/zinc/51/74/36/647517436.db2.gz IGNJPTPXTFTDOR-AWEZNQCLSA-N 1 0 279.380 2.432 20 10 CECDRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000782776300 647656622 /nfs/dbraw/zinc/65/66/22/647656622.db2.gz AMDDLBCKMUFJPN-CXAGYDPISA-N 1 0 292.423 2.191 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)C[C@@H](C)O)c1 ZINC000782977071 647667640 /nfs/dbraw/zinc/66/76/40/647667640.db2.gz ALDVEACWFXDSJP-GHMZBOCLSA-N 1 0 253.342 2.040 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccccc1O ZINC000783506583 647722270 /nfs/dbraw/zinc/72/22/70/647722270.db2.gz YMDXVPKJKNECDE-NWDGAFQWSA-N 1 0 257.337 2.464 20 10 CECDRO COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000783505591 647722544 /nfs/dbraw/zinc/72/25/44/647722544.db2.gz IEWZPAVOYQOPGF-RYUDHWBXSA-N 1 0 278.352 2.274 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c(O)c1 ZINC000783728980 647752483 /nfs/dbraw/zinc/75/24/83/647752483.db2.gz KMVPGXPXNWFCDZ-OAHLLOKOSA-N 1 0 279.380 2.384 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000783732459 647753231 /nfs/dbraw/zinc/75/32/31/647753231.db2.gz CKTBYSCTQWMTGP-DOTOQJQBSA-N 1 0 274.408 2.347 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000866681252 647866703 /nfs/dbraw/zinc/86/67/03/647866703.db2.gz YHCBIBMBMDESLG-BETUJISGSA-N 1 0 294.782 2.184 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)OC)c(O)c1 ZINC000786169123 647990625 /nfs/dbraw/zinc/99/06/25/647990625.db2.gz QTNDJKHPNOCGJQ-QWRGUYRKSA-N 1 0 253.342 2.304 20 10 CECDRO CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000788526319 648199575 /nfs/dbraw/zinc/19/95/75/648199575.db2.gz PQKYTTPMNVUAIT-MRXNPFEDSA-N 1 0 299.422 2.447 20 10 CECDRO CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 ZINC000868784590 648263839 /nfs/dbraw/zinc/26/38/39/648263839.db2.gz QDHOPNGUMIRSFP-QWHCGFSZSA-N 1 0 291.395 2.237 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C2(CC(N)=O)CCC2)cc1 ZINC000789552979 648316155 /nfs/dbraw/zinc/31/61/55/648316155.db2.gz HIAREVYYBOCGPC-UHFFFAOYSA-N 1 0 289.423 2.421 20 10 CECDRO COc1ccc(N2CCC([NH2+]CCCCCO)CC2)cc1 ZINC000790497136 648423246 /nfs/dbraw/zinc/42/32/46/648423246.db2.gz KULFVJSYZIDZKL-UHFFFAOYSA-N 1 0 292.423 2.416 20 10 CECDRO C[C@@H](CC[NH2+]Cc1c([O-])ccc(Cl)c1F)[S@@](C)=O ZINC000790977421 648467333 /nfs/dbraw/zinc/46/73/33/648467333.db2.gz LONZFGJQBMPPPI-DCXZOGHSSA-N 1 0 293.791 2.431 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@]2(CC)CCOC2)c1 ZINC000791005215 648471556 /nfs/dbraw/zinc/47/15/56/648471556.db2.gz QGTRGHVWPCFTEG-HNNXBMFYSA-N 1 0 265.353 2.450 20 10 CECDRO O=C1CCCN1[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000792186047 648621488 /nfs/dbraw/zinc/62/14/88/648621488.db2.gz NTZVHJVEOOOOSR-ZDUSSCGKSA-N 1 0 294.782 2.242 20 10 CECDRO CCN(CC)[C@H](C)C[NH2+]Cc1c(O)cccc1OC ZINC000793246743 648729474 /nfs/dbraw/zinc/72/94/74/648729474.db2.gz SRNSZTOVPFHZAI-GFCCVEGCSA-N 1 0 266.385 2.221 20 10 CECDRO CCOc1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)c(O)c1 ZINC000793253842 648731707 /nfs/dbraw/zinc/73/17/07/648731707.db2.gz FHIDSTAZRZXYGT-CYBMUJFWSA-N 1 0 277.364 2.259 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2ncccc2O)c1 ZINC000793260104 648733476 /nfs/dbraw/zinc/73/34/76/648733476.db2.gz YZELBMKMHUPBEK-UHFFFAOYSA-N 1 0 274.320 2.181 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2ccc(OC)cc2O)n1 ZINC000793388149 648749035 /nfs/dbraw/zinc/74/90/35/648749035.db2.gz NHYRSPNUPRQEAC-UHFFFAOYSA-N 1 0 288.347 2.484 20 10 CECDRO COc1ccc(C[NH2+]Cc2cnc3ccccn23)c(O)c1 ZINC000793388678 648749408 /nfs/dbraw/zinc/74/94/08/648749408.db2.gz RHPIAYFICZHQQW-UHFFFAOYSA-N 1 0 283.331 2.338 20 10 CECDRO [NH3+][C@H]1CC[C@H](C(=O)NCCCSc2nccs2)CC1 ZINC000870886317 648943487 /nfs/dbraw/zinc/94/34/87/648943487.db2.gz DDCOKISHTNGJQM-XYPYZODXSA-N 1 0 299.465 2.259 20 10 CECDRO CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)c1ccccc1O ZINC000870988059 648971265 /nfs/dbraw/zinc/97/12/65/648971265.db2.gz FIWQKTOWWLLCEI-IINYFYTJSA-N 1 0 250.342 2.087 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC[C@H]2CCOC2=O)c1 ZINC000872111244 649281115 /nfs/dbraw/zinc/28/11/15/649281115.db2.gz BKDUTHDEOWJGKP-NEPJUHHUSA-N 1 0 293.363 2.395 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@@H]2CCCCN(C)C2=O)c1 ZINC000872672411 649453698 /nfs/dbraw/zinc/45/36/98/649453698.db2.gz OCKBPJUHXOETSE-OAHLLOKOSA-N 1 0 290.407 2.452 20 10 CECDRO CCCOc1ccc(C[NH2+][C@](C)(CO)COC)cc1C ZINC000873069249 649550442 /nfs/dbraw/zinc/55/04/42/649550442.db2.gz ABKNVWAIUUQSKF-MRXNPFEDSA-N 1 0 281.396 2.271 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N2CCCC2)c1 ZINC000020127268 649727970 /nfs/dbraw/zinc/72/79/70/649727970.db2.gz PBMCJHQKXOGLBL-GFCCVEGCSA-N 1 0 292.379 2.064 20 10 CECDRO CCC[NH+]1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463398 651307051 /nfs/dbraw/zinc/30/70/51/651307051.db2.gz GADGCFWBAUVIHS-UHFFFAOYSA-N 1 0 264.369 2.236 20 10 CECDRO C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)c1ccccc1O ZINC000879648371 651335082 /nfs/dbraw/zinc/33/50/82/651335082.db2.gz LRBDUODBTUNGSJ-QWHCGFSZSA-N 1 0 276.380 2.444 20 10 CECDRO C[C@H]([NH2+]Cc1nc(C2CC2)nn1C)c1ccccc1O ZINC000879650392 651335862 /nfs/dbraw/zinc/33/58/62/651335862.db2.gz ZFGMRBMLXGYEGI-JTQLQIEISA-N 1 0 272.352 2.249 20 10 CECDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000128187893 651382298 /nfs/dbraw/zinc/38/22/98/651382298.db2.gz GTVBHBAFISVKRL-RYUDHWBXSA-N 1 0 255.745 2.295 20 10 CECDRO Cc1cc(Cn2cc(CC[NH3+])nn2)ccc1N1CCCCC1 ZINC000881379783 651702728 /nfs/dbraw/zinc/70/27/28/651702728.db2.gz ZBAXZVLVCNCYIJ-UHFFFAOYSA-N 1 0 299.422 2.126 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H](CO)CCC(C)C ZINC000883187878 652393455 /nfs/dbraw/zinc/39/34/55/652393455.db2.gz YLMBTLITJVRRSH-LBPRGKRZSA-N 1 0 267.369 2.288 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2C ZINC000229588062 806077743 /nfs/dbraw/zinc/07/77/43/806077743.db2.gz UAVYJSXNLYXWRT-VXGBXAGGSA-N 1 0 276.380 2.317 20 10 CECDRO C[C@]1([NH3+])CCN(Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001204800263 806087290 /nfs/dbraw/zinc/08/72/90/806087290.db2.gz APZIZHCGLJUTGP-LBPRGKRZSA-N 1 0 274.286 2.334 20 10 CECDRO COC(OC)[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000127331482 806111074 /nfs/dbraw/zinc/11/10/74/806111074.db2.gz JVDIECHVBDITEE-MRVPVSSYSA-N 1 0 259.733 2.143 20 10 CECDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)C2 ZINC001168241529 806432751 /nfs/dbraw/zinc/43/27/51/806432751.db2.gz JTGZFMHBTHIUJD-AWEZNQCLSA-N 1 0 285.343 2.363 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@H]3C)CC2)c(OC)c1 ZINC001209426378 802522685 /nfs/dbraw/zinc/52/26/85/802522685.db2.gz KEYIWQIRUAWVFF-KGLIPLIRSA-N 1 0 290.407 2.482 20 10 CECDRO CC(C)[C@@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000706804750 809854316 /nfs/dbraw/zinc/85/43/16/809854316.db2.gz PMDWZBRCHHNPPP-LLVKDONJSA-N 1 0 288.185 2.261 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(C)c[nH]2)c1 ZINC000693511388 803015825 /nfs/dbraw/zinc/01/58/25/803015825.db2.gz IRGFHFUUEKRKCL-SNVBAGLBSA-N 1 0 261.325 2.283 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc2ccccc2c1O ZINC000398338368 803316629 /nfs/dbraw/zinc/31/66/29/803316629.db2.gz JLCRFZYAPUBQCZ-VXGBXAGGSA-N 1 0 284.359 2.332 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c(OC)c1 ZINC001141032001 803669412 /nfs/dbraw/zinc/66/94/12/803669412.db2.gz PUMMTBJSHACRII-BZNIZROVSA-N 1 0 295.379 2.002 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)CCC[C@@]1(C)O ZINC001141156691 803758590 /nfs/dbraw/zinc/75/85/90/803758590.db2.gz QTOKHTWGYLOMMY-XHDPSFHLSA-N 1 0 265.353 2.081 20 10 CECDRO Oc1ccc(Cl)cc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299919364 803921422 /nfs/dbraw/zinc/92/14/22/803921422.db2.gz MEZLLTDIJYJICK-GXFFZTMASA-N 1 0 266.772 2.229 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2nncn2C)c1 ZINC000037017586 814984606 /nfs/dbraw/zinc/98/46/06/814984606.db2.gz CSQJKVFWYYXPHA-QWRGUYRKSA-N 1 0 260.341 2.241 20 10 CECDRO CCN1CCC[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1=O ZINC000722360807 804382969 /nfs/dbraw/zinc/38/29/69/804382969.db2.gz BNXCRQFYVJAEPA-OCCSQVGLSA-N 1 0 276.380 2.362 20 10 CECDRO COc1cccc(C[NH2+]C[C@H](C)CC2(C)OCCO2)c1O ZINC000716019518 815014507 /nfs/dbraw/zinc/01/45/07/815014507.db2.gz HUVKMWNICGQRKF-GFCCVEGCSA-N 1 0 295.379 2.280 20 10 CECDRO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccccc1O ZINC000037152693 815018025 /nfs/dbraw/zinc/01/80/25/815018025.db2.gz QJKKOPVRHWEGAY-VOMCLLRMSA-N 1 0 262.353 2.087 20 10 CECDRO C[C@H](C[NH2+]Cc1ccccc1O)CC1(C)OCCO1 ZINC000716006176 815027712 /nfs/dbraw/zinc/02/77/12/815027712.db2.gz KTDVBHIZXZSMMM-LBPRGKRZSA-N 1 0 265.353 2.271 20 10 CECDRO COC[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001118909683 815054455 /nfs/dbraw/zinc/05/44/55/815054455.db2.gz XHNNZMCFLZKYPV-SECBINFHSA-N 1 0 258.312 2.155 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2[nH]ncc2C)c1 ZINC000716484106 815131716 /nfs/dbraw/zinc/13/17/16/815131716.db2.gz SLYFIRPSEYVFGU-SNVBAGLBSA-N 1 0 261.325 2.283 20 10 CECDRO C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000037319386 815138101 /nfs/dbraw/zinc/13/81/01/815138101.db2.gz ZBKFOKUWRJQWOL-LRVUVFPRSA-N 1 0 289.423 2.447 20 10 CECDRO NC(=O)c1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000037363116 815147806 /nfs/dbraw/zinc/14/78/06/815147806.db2.gz JKWBARJNUCSYCP-UHFFFAOYSA-N 1 0 282.343 2.010 20 10 CECDRO Oc1ccc(Cl)c(Cl)c1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236297932 808056800 /nfs/dbraw/zinc/05/68/00/808056800.db2.gz UELSVFNSGHLVPT-XCBNKYQSSA-N 1 0 273.163 2.103 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000691255836 808260926 /nfs/dbraw/zinc/26/09/26/808260926.db2.gz FSVFFTMFKJVUHA-GDBMZVCRSA-N 1 0 260.381 2.410 20 10 CECDRO Fc1cc(C2=CCC[NH2+]CC2)ccc1N1CCOCC1 ZINC001238945305 808459660 /nfs/dbraw/zinc/45/96/60/808459660.db2.gz ABPUQBBURRQMCN-UHFFFAOYSA-N 1 0 276.355 2.429 20 10 CECDRO CCCN(CCC[NH+](C)C)C(=O)NCc1ccc(N)cc1 ZINC001120677440 815257009 /nfs/dbraw/zinc/25/70/09/815257009.db2.gz QMMYCNCGSHDYLR-UHFFFAOYSA-N 1 0 292.427 2.142 20 10 CECDRO c1cc(C[NH2+][C@H]2CCCC3(C2)OCCO3)cc2c1OCC2 ZINC000715778726 809070989 /nfs/dbraw/zinc/07/09/89/809070989.db2.gz QJANKEZHCKZQQU-HNNXBMFYSA-N 1 0 289.375 2.397 20 10 CECDRO C[NH+](C)CC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703504379 809653584 /nfs/dbraw/zinc/65/35/84/809653584.db2.gz XXTPNKJTBUVOKY-UHFFFAOYSA-N 1 0 284.350 2.444 20 10 CECDRO COc1cc(Cl)cc(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1O ZINC000703618853 809671789 /nfs/dbraw/zinc/67/17/89/809671789.db2.gz HEBQHKRRXYJGCU-XHDPSFHLSA-N 1 0 296.798 2.096 20 10 CECDRO CN(C(=O)C12CCC[NH+](CCC1)C2)c1ccc(N)cc1 ZINC000705913145 809796640 /nfs/dbraw/zinc/79/66/40/809796640.db2.gz HAZYZNAJEMCELP-UHFFFAOYSA-N 1 0 273.380 2.108 20 10 CECDRO CC(C)(O)C[NH2+]Cc1c(O)cccc1Br ZINC000706828461 809855706 /nfs/dbraw/zinc/85/57/06/809855706.db2.gz DRZYDMKZYIXXGI-UHFFFAOYSA-N 1 0 274.158 2.015 20 10 CECDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCOC1 ZINC000706834358 809856951 /nfs/dbraw/zinc/85/69/51/809856951.db2.gz ZRPQAGUESAFIJX-MRVPVSSYSA-N 1 0 272.142 2.033 20 10 CECDRO C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708440677 809930996 /nfs/dbraw/zinc/93/09/96/809930996.db2.gz DVZMJBPZSPZUCZ-SECBINFHSA-N 1 0 258.312 2.100 20 10 CECDRO COc1ccc(O)c(CN2CCCCC[C@H]([NH3+])C2)c1 ZINC000709012054 809939722 /nfs/dbraw/zinc/93/97/22/809939722.db2.gz XWPHZTGSKCVIHJ-ZDUSSCGKSA-N 1 0 264.369 2.104 20 10 CECDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172181514 815331536 /nfs/dbraw/zinc/33/15/36/815331536.db2.gz XRONDFUNAXOQEG-LSDHHAIUSA-N 1 0 288.391 2.368 20 10 CECDRO [NH3+][C@@H]1CCN(c2cc(F)c(OC(F)(F)F)c(F)c2)C1 ZINC001164282601 810338352 /nfs/dbraw/zinc/33/83/52/810338352.db2.gz YWTKPFQQHRTJOY-ZCFIWIBFSA-N 1 0 282.212 2.401 20 10 CECDRO C[C@@H]1COC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000829431593 810872057 /nfs/dbraw/zinc/87/20/57/810872057.db2.gz ISZSPOWFXDWUDC-LDYMZIIASA-N 1 0 286.169 2.279 20 10 CECDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3cccc(O)c3C2)C1 ZINC001169039854 811348929 /nfs/dbraw/zinc/34/89/29/811348929.db2.gz UWXVJXIZSLICMZ-AAEUAGOBSA-N 1 0 276.336 2.196 20 10 CECDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3cccc(O)c3C1)C2 ZINC001169153209 811413800 /nfs/dbraw/zinc/41/38/00/811413800.db2.gz HRMJRAJIJFUFBD-FICVDOATSA-N 1 0 272.392 2.376 20 10 CECDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)CO1 ZINC001169335226 811489807 /nfs/dbraw/zinc/48/98/07/811489807.db2.gz QSHUHPGLZRGEAM-ZOWXZIJZSA-N 1 0 293.363 2.154 20 10 CECDRO CC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001169586971 811591986 /nfs/dbraw/zinc/59/19/86/811591986.db2.gz NUDVMAGEKSSYKK-AWEZNQCLSA-N 1 0 276.380 2.110 20 10 CECDRO CCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H](C)C1 ZINC001054307165 812580778 /nfs/dbraw/zinc/58/07/78/812580778.db2.gz ICUCZZQKQGCKAY-ZFWWWQNUSA-N 1 0 290.407 2.350 20 10 CECDRO CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001054307164 812581092 /nfs/dbraw/zinc/58/10/92/812581092.db2.gz ICUCZZQKQGCKAY-UKRRQHHQSA-N 1 0 290.407 2.350 20 10 CECDRO COCC(COC)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000388402841 813236784 /nfs/dbraw/zinc/23/67/84/813236784.db2.gz PPVQUOXLYGRNJE-LLVKDONJSA-N 1 0 253.342 2.013 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H](CO)C(C)C)c1O ZINC000394049349 813334509 /nfs/dbraw/zinc/33/45/09/813334509.db2.gz YXDOROVTSGJDFI-ZDUSSCGKSA-N 1 0 267.369 2.145 20 10 CECDRO CC(C)[C@H](CO)C[NH2+]Cc1c(O)cccc1Cl ZINC000394088355 813335709 /nfs/dbraw/zinc/33/57/09/813335709.db2.gz OYGMVJXORIUZCB-JTQLQIEISA-N 1 0 257.761 2.400 20 10 CECDRO COc1ccc(N2CC[NH+]([C@H]3CCCOCC3)CC2)cc1 ZINC001170805730 813396810 /nfs/dbraw/zinc/39/68/10/813396810.db2.gz WAULRQXCVXUGLC-HNNXBMFYSA-N 1 0 290.407 2.386 20 10 CECDRO [NH3+][C@H]1CN(Cc2cc(Cl)ccc2O)CC(F)(F)C1 ZINC001206117793 814023019 /nfs/dbraw/zinc/02/30/19/814023019.db2.gz WQNKOCDRYWGOBF-SNVBAGLBSA-N 1 0 276.714 2.214 20 10 CECDRO Oc1cc(O)c(C[NH+]2CCc3ccccc3CC2)c(O)c1 ZINC001144509266 814097879 /nfs/dbraw/zinc/09/78/79/814097879.db2.gz RCSWXHKZEZTYEH-UHFFFAOYSA-N 1 0 285.343 2.404 20 10 CECDRO CCN1CC[C@@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000712568784 814767450 /nfs/dbraw/zinc/76/74/50/814767450.db2.gz GIUFUAKTMFTFEQ-GFCCVEGCSA-N 1 0 284.787 2.238 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001116444089 814853397 /nfs/dbraw/zinc/85/33/97/814853397.db2.gz QDYJVIYBEUIIAG-WFASDCNBSA-N 1 0 277.364 2.402 20 10 CECDRO COc1ccc(C[NH2+]CC[C@H]2CCCS2(=O)=O)cc1C ZINC000714351721 814898053 /nfs/dbraw/zinc/89/80/53/814898053.db2.gz MWUSIGKKUXVNSA-CQSZACIVSA-N 1 0 297.420 2.061 20 10 CECDRO Cc1c(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)c2ccccc2n1C ZINC001138258464 815755799 /nfs/dbraw/zinc/75/57/99/815755799.db2.gz SLTGRFINEPGBPG-CQSZACIVSA-N 1 0 297.402 2.293 20 10 CECDRO CN1CCCc2cc(CN3C[C@H]4C[C@@]4(C[NH+](C)C)C3)ccc21 ZINC001138359624 815777592 /nfs/dbraw/zinc/77/75/92/815777592.db2.gz WVQQFTOKXHQWRE-IEBWSBKVSA-N 1 0 299.462 2.453 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@H]3OCC[C@H]32)ccc1N(C)C ZINC001139670052 816076009 /nfs/dbraw/zinc/07/60/09/816076009.db2.gz FTSSSRUPBRBKNI-HZPDHXFCSA-N 1 0 260.381 2.424 20 10 CECDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686594 816084397 /nfs/dbraw/zinc/08/43/97/816084397.db2.gz BWQZUZVNGITOBN-NSHDSACASA-N 1 0 282.334 2.339 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140058200 816180687 /nfs/dbraw/zinc/18/06/87/816180687.db2.gz TWONACYFFTUZAO-GHMZBOCLSA-N 1 0 281.327 2.305 20 10 CECDRO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3O)C2)O1 ZINC001140060304 816181688 /nfs/dbraw/zinc/18/16/88/816181688.db2.gz UTHQBNKTYHKBCI-OAHLLOKOSA-N 1 0 279.311 2.203 20 10 CECDRO CO[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)C[C@@H]1F ZINC001140178511 816204065 /nfs/dbraw/zinc/20/40/65/816204065.db2.gz NEEUPAOQJYWUJZ-QWHCGFSZSA-N 1 0 253.317 2.178 20 10 CECDRO C[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461147 816258682 /nfs/dbraw/zinc/25/86/82/816258682.db2.gz FKZJPQBGALHBGB-CYBMUJFWSA-N 1 0 255.745 2.250 20 10 CECDRO Oc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001140462668 816261120 /nfs/dbraw/zinc/26/11/20/816261120.db2.gz LEVLBXJYMQDXNK-PHIMTYICSA-N 1 0 253.729 2.124 20 10 CECDRO Cc1cnc(O[C@H]2CC[N@@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC001140624279 816308598 /nfs/dbraw/zinc/30/85/98/816308598.db2.gz OJDJAPFFKPLMAJ-HNNXBMFYSA-N 1 0 299.374 2.452 20 10 CECDRO CC[N@H+](C)C1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140750262 816342606 /nfs/dbraw/zinc/34/26/06/816342606.db2.gz ZMFCAKLWOYGPAT-UHFFFAOYSA-N 1 0 278.396 2.322 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(O)c1 ZINC001140947955 816421767 /nfs/dbraw/zinc/42/17/67/816421767.db2.gz MUZKIEINHARVGK-YPMHNXCESA-N 1 0 269.291 2.167 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCOC(C)(C)C2)c(OC)c1 ZINC001141028579 816450553 /nfs/dbraw/zinc/45/05/53/816450553.db2.gz VOASUOOWRPPLTG-UHFFFAOYSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CCO)C2)c(OC)c1 ZINC001141028624 816450565 /nfs/dbraw/zinc/45/05/65/816450565.db2.gz XMDIJMRZCLXUIH-GFCCVEGCSA-N 1 0 295.379 2.004 20 10 CECDRO COc1cc(O)c(C[NH+]2CCC(C)(OC)CC2)c(OC)c1 ZINC001141031752 816452973 /nfs/dbraw/zinc/45/29/73/816452973.db2.gz JGBYWZKRNSWEIE-UHFFFAOYSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCC[C@](C)(O)C2)c(OC)c1 ZINC001141032216 816453164 /nfs/dbraw/zinc/45/31/64/816453164.db2.gz WGFSDGBPFSHDLS-INIZCTEOSA-N 1 0 295.379 2.146 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCN3C)C[C@@H]1F ZINC001141139901 816484039 /nfs/dbraw/zinc/48/40/39/816484039.db2.gz DJZMETCBEKYQDR-YPMHNXCESA-N 1 0 264.344 2.305 20 10 CECDRO C[N@@H+]1CCN(Cc2cc(O)ccc2O)C2(CCCC2)C1 ZINC001141163159 816494020 /nfs/dbraw/zinc/49/40/20/816494020.db2.gz SGTGMNAVRPDJRY-UHFFFAOYSA-N 1 0 276.380 2.158 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@H](C)CC(N)=O ZINC000228614706 816562795 /nfs/dbraw/zinc/56/27/95/816562795.db2.gz UMKMMOYKLBGMAC-GMTAPVOTSA-N 1 0 262.353 2.102 20 10 CECDRO CC1(CO)C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC000839144877 816563496 /nfs/dbraw/zinc/56/34/96/816563496.db2.gz BVMAJNFBAQGSNG-UHFFFAOYSA-N 1 0 257.333 2.360 20 10 CECDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC001177911247 816642410 /nfs/dbraw/zinc/64/24/10/816642410.db2.gz HSEVLBDBSICZJV-ZDUSSCGKSA-N 1 0 268.376 2.388 20 10 CECDRO CN(CCC[NH+](C)C)Cc1cc(F)c(F)cc1O ZINC001142502037 816675644 /nfs/dbraw/zinc/67/56/44/816675644.db2.gz HBGPDMACRGYJFS-UHFFFAOYSA-N 1 0 258.312 2.054 20 10 CECDRO Oc1cc2c(cc1C[N@H+]1CC[C@H](O)C13CCCC3)OCO2 ZINC000293983898 344693057 /nfs/dbraw/zinc/69/30/57/344693057.db2.gz RNUBQNIZACHVMZ-HNNXBMFYSA-N 1 0 291.347 2.000 20 10 CECDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2O)o1 ZINC000111235934 364724393 /nfs/dbraw/zinc/72/43/93/364724393.db2.gz QUXXJMDCLFAPHM-UHFFFAOYSA-N 1 0 275.304 2.404 20 10 CECDRO COC(=O)c1occc1CN(C)Cc1ccccc1O ZINC000111235729 364724600 /nfs/dbraw/zinc/72/46/00/364724600.db2.gz RSTJFUWAPLDWJM-UHFFFAOYSA-N 1 0 275.304 2.404 20 10 CECDRO COc1cccc(CN2CC[NH+](CC(C)C)CC2)c1O ZINC000112642514 364824285 /nfs/dbraw/zinc/82/42/85/364824285.db2.gz HYKIQBBAYGANCN-UHFFFAOYSA-N 1 0 278.396 2.174 20 10 CECDRO O=C1CCCN1CCC[NH2+]Cc1c(O)cccc1Cl ZINC000113314583 364887359 /nfs/dbraw/zinc/88/73/59/364887359.db2.gz LLAHYAONKOZDBK-UHFFFAOYSA-N 1 0 282.771 2.148 20 10 CECDRO COC[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000180198864 368371090 /nfs/dbraw/zinc/37/10/90/368371090.db2.gz SCYIPJXREOGVIC-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)c1O ZINC000179637777 368345805 /nfs/dbraw/zinc/34/58/05/368345805.db2.gz KISJMOUQZHSGOR-ZDUSSCGKSA-N 1 0 296.798 2.407 20 10 CECDRO COc1ccc(O)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000179678577 368347423 /nfs/dbraw/zinc/34/74/23/368347423.db2.gz FCFUJQOEELAOAZ-LBPRGKRZSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1cc(Cl)cc(C[NH+]2CCC(CC(N)=O)CC2)c1O ZINC000179720348 368348979 /nfs/dbraw/zinc/34/89/79/368348979.db2.gz SFRKHKLCEWFKIK-UHFFFAOYSA-N 1 0 296.798 2.441 20 10 CECDRO COCC1=CC[N@H+](Cc2cc(OC)ccc2O)CC1 ZINC000187623088 369190146 /nfs/dbraw/zinc/19/01/46/369190146.db2.gz VLTOLOADGXSGNI-UHFFFAOYSA-N 1 0 263.337 2.179 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C[C@H]1C ZINC000188112019 369298479 /nfs/dbraw/zinc/29/84/79/369298479.db2.gz BYWHPQACUYIVIU-RISCZKNCSA-N 1 0 293.363 2.032 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)ccc1OC ZINC000188798081 369410587 /nfs/dbraw/zinc/41/05/87/369410587.db2.gz BQZRTTGQBJWDOH-GDBMZVCRSA-N 1 0 293.407 2.482 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@@H]2CC(C)C)c1 ZINC000188920549 369428891 /nfs/dbraw/zinc/42/88/91/369428891.db2.gz AIEAFWDBHUDISF-AWEZNQCLSA-N 1 0 276.380 2.047 20 10 CECDRO CCN(C(=O)C1=CC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000637931134 370179438 /nfs/dbraw/zinc/17/94/38/370179438.db2.gz DIZWYCVLWDBQAE-LBPRGKRZSA-N 1 0 260.337 2.096 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)c(O)c1 ZINC000230659287 370461645 /nfs/dbraw/zinc/46/16/45/370461645.db2.gz WCEKCVVKFCVIPT-KWQFWETISA-N 1 0 263.259 2.274 20 10 CECDRO CCC[N@@H+]1CCCN(Cc2cc(OC)ccc2O)CC1 ZINC000361800412 372077802 /nfs/dbraw/zinc/07/78/02/372077802.db2.gz UYQSYZVHQPKTSO-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000268877904 372267315 /nfs/dbraw/zinc/26/73/15/372267315.db2.gz QVFCRPANTAPWFV-STQMWFEESA-N 1 0 296.386 2.175 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000188502405 284323942 /nfs/dbraw/zinc/32/39/42/284323942.db2.gz BRYGQEDPEXJTRT-STQMWFEESA-N 1 0 277.412 2.270 20 10 CECDRO COc1ccc(N2CCC([NH2+]CCCCO)CC2)cc1 ZINC000365357510 372837105 /nfs/dbraw/zinc/83/71/05/372837105.db2.gz MABDXHDYSKEXEM-UHFFFAOYSA-N 1 0 278.396 2.026 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC2(CCOCC2)O1 ZINC000366732920 373115144 /nfs/dbraw/zinc/11/51/44/373115144.db2.gz YIYCFMMUBYVGCB-GFCCVEGCSA-N 1 0 295.354 2.301 20 10 CECDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000271464227 373192949 /nfs/dbraw/zinc/19/29/49/373192949.db2.gz GNCIECKXRJVTSX-JSGCOSHPSA-N 1 0 293.363 2.414 20 10 CECDRO CC[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccccc1O ZINC000271710368 373197100 /nfs/dbraw/zinc/19/71/00/373197100.db2.gz OGRSJQWURRJHPC-GFCCVEGCSA-N 1 0 272.352 2.171 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H](O)c2ccc(C)o2)c1 ZINC000271798459 373200346 /nfs/dbraw/zinc/20/03/46/373200346.db2.gz IJUXMQDYVFKPQH-AWEZNQCLSA-N 1 0 277.320 2.125 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)C(C)(C)O)c1O ZINC000272431827 373482480 /nfs/dbraw/zinc/48/24/80/373482480.db2.gz AKCUBUQRBIHNHM-UHFFFAOYSA-N 1 0 283.343 2.373 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000272488695 373510632 /nfs/dbraw/zinc/51/06/32/373510632.db2.gz UFWVRASPCQNIPZ-UONOGXRCSA-N 1 0 264.344 2.248 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H](COC)OC)cc1 ZINC000272642456 373597401 /nfs/dbraw/zinc/59/74/01/373597401.db2.gz CXSHJFBFPAHGRT-CZUORRHYSA-N 1 0 280.412 2.455 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@@]2(CCOC2)O1 ZINC000370210473 373606928 /nfs/dbraw/zinc/60/69/28/373606928.db2.gz QEFFUGOZUBLGDK-NVXWUHKLSA-N 1 0 291.391 2.471 20 10 CECDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000272800432 373661317 /nfs/dbraw/zinc/66/13/17/373661317.db2.gz BHHFFJHWAGEBRD-XGNXJENSSA-N 1 0 276.380 2.490 20 10 CECDRO COC[C@@H](C[NH2+]Cc1cc(Cl)cc(C)c1O)OC ZINC000272825612 373669082 /nfs/dbraw/zinc/66/90/82/373669082.db2.gz HBCGTMPOFVSXBT-GFCCVEGCSA-N 1 0 273.760 2.105 20 10 CECDRO CCC[C@](C)(NCc1cccc(F)c1O)C(=O)OC ZINC000273827320 373774572 /nfs/dbraw/zinc/77/45/72/373774572.db2.gz FBRTVYGOIDHBNN-AWEZNQCLSA-N 1 0 269.316 2.353 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000273069846 373744512 /nfs/dbraw/zinc/74/45/12/373744512.db2.gz GWJINWCYBFBCAB-INIZCTEOSA-N 1 0 271.360 2.476 20 10 CECDRO C[C@H]1C[C@@H](CC[NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000273076500 373746647 /nfs/dbraw/zinc/74/66/47/373746647.db2.gz PPSPDNFXPXACHD-RYUDHWBXSA-N 1 0 293.363 2.416 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)c(O)c1C ZINC000273402681 373755764 /nfs/dbraw/zinc/75/57/64/373755764.db2.gz NRAIYCOIFJWSTP-LBPRGKRZSA-N 1 0 264.369 2.184 20 10 CECDRO CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000273424983 373758052 /nfs/dbraw/zinc/75/80/52/373758052.db2.gz TVQFBAYAOHWKTA-RYUDHWBXSA-N 1 0 293.367 2.293 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Cl)ccc1O ZINC000273464219 373759460 /nfs/dbraw/zinc/75/94/60/373759460.db2.gz DIAOWOVZGVCLMI-XPTSAGLGSA-N 1 0 295.770 2.163 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cn2cncn2)c(O)c1C ZINC000273549029 373762507 /nfs/dbraw/zinc/76/25/07/373762507.db2.gz FOFRBQRRQREMBV-YPMHNXCESA-N 1 0 274.368 2.340 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cncn2)c(O)c1C ZINC000273549013 373762805 /nfs/dbraw/zinc/76/28/05/373762805.db2.gz FOFRBQRRQREMBV-AAEUAGOBSA-N 1 0 274.368 2.340 20 10 CECDRO CN(C)c1ccc(C[N@H+](CCC2OCCO2)C2CC2)cc1 ZINC000274333976 373882759 /nfs/dbraw/zinc/88/27/59/373882759.db2.gz JOHSUFWQRLLOGQ-UHFFFAOYSA-N 1 0 290.407 2.480 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000371489300 373900680 /nfs/dbraw/zinc/90/06/80/373900680.db2.gz OGRCSAHKSDTKAO-DOTOQJQBSA-N 1 0 273.424 2.279 20 10 CECDRO Cc1cc(C(=O)N[C@H](C)C[NH3+])c(C)n1-c1ccccc1 ZINC000274438922 373922900 /nfs/dbraw/zinc/92/29/00/373922900.db2.gz PSAUXRSEOZCKIB-LLVKDONJSA-N 1 0 271.364 2.171 20 10 CECDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000374905841 374636237 /nfs/dbraw/zinc/63/62/37/374636237.db2.gz ADMWPUPASAYDEH-OAHLLOKOSA-N 1 0 288.391 2.369 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CO)CCOC)c1ccc(C)cc1O ZINC000281764882 375395408 /nfs/dbraw/zinc/39/54/08/375395408.db2.gz WOSIHVKHGAQDNI-TZMCWYRMSA-N 1 0 267.369 2.139 20 10 CECDRO CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccccc1O ZINC000281203103 375362706 /nfs/dbraw/zinc/36/27/06/375362706.db2.gz SEMTYNCSGDGFAQ-GFCCVEGCSA-N 1 0 283.393 2.010 20 10 CECDRO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccccc1O ZINC000281402561 375376364 /nfs/dbraw/zinc/37/63/64/375376364.db2.gz XRCBALWLMNVJPF-LLVKDONJSA-N 1 0 251.326 2.166 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)NCC(F)F)c(O)c1 ZINC000285418674 375837803 /nfs/dbraw/zinc/83/78/03/375837803.db2.gz YCDORDXBTHSEAE-SNVBAGLBSA-N 1 0 286.322 2.041 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc(F)cc1[O-] ZINC000287385531 376220410 /nfs/dbraw/zinc/22/04/10/376220410.db2.gz ILYAREHWTBIBIW-CABZTGNLSA-N 1 0 278.331 2.462 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000288153083 376372808 /nfs/dbraw/zinc/37/28/08/376372808.db2.gz ZNJXNLMGTSRXLG-ZDUSSCGKSA-N 1 0 293.411 2.264 20 10 CECDRO CC[N@@H+](Cc1cc(OC)ccc1O)C[C@@H](C)OC ZINC000291083598 377064030 /nfs/dbraw/zinc/06/40/30/377064030.db2.gz OAEABHLBBXYZDW-LLVKDONJSA-N 1 0 253.342 2.258 20 10 CECDRO CC(C)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000291481175 377196479 /nfs/dbraw/zinc/19/64/79/377196479.db2.gz FUCXFRDTLRVTRV-LLVKDONJSA-N 1 0 254.349 2.350 20 10 CECDRO CN(C)c1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]2)cc1F ZINC000292104155 377224673 /nfs/dbraw/zinc/22/46/73/377224673.db2.gz OSVBKIHMSVCEBQ-ZDUSSCGKSA-N 1 0 293.386 2.040 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCCc2cnn(C)n2)c(O)c1 ZINC000293646158 377675282 /nfs/dbraw/zinc/67/52/82/377675282.db2.gz HOCZWHVAJHKCEB-ZDUSSCGKSA-N 1 0 288.395 2.421 20 10 CECDRO Cc1cc(C[N@@H+](C)CCNC(=O)C(C)C)ccc1N(C)C ZINC000293824011 377774385 /nfs/dbraw/zinc/77/43/85/377774385.db2.gz PGEURCXWROUFQY-UHFFFAOYSA-N 1 0 291.439 2.265 20 10 CECDRO Cc1cccc(C[NH2+]Cc2nnc(C(C)C)[nH]2)c1O ZINC000294907600 378028420 /nfs/dbraw/zinc/02/84/20/378028420.db2.gz XWDQOOLBWKSFOP-UHFFFAOYSA-N 1 0 260.341 2.232 20 10 CECDRO COc1c(O)c(C[N@@H+]2CC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000294962956 378032742 /nfs/dbraw/zinc/03/27/42/378032742.db2.gz FAKAKJBXKKZBBE-JTQLQIEISA-N 1 0 298.364 2.246 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1O ZINC000295206322 378049949 /nfs/dbraw/zinc/04/99/49/378049949.db2.gz KUXLIZFWXNFXBQ-ZDUSSCGKSA-N 1 0 279.380 2.384 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1 ZINC000295232215 378062273 /nfs/dbraw/zinc/06/22/73/378062273.db2.gz OBQRHXMBKGMNFV-ZDUSSCGKSA-N 1 0 279.380 2.384 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295826678 378321007 /nfs/dbraw/zinc/32/10/07/378321007.db2.gz DRWLZKHQSCXZQI-AAEUAGOBSA-N 1 0 276.380 2.274 20 10 CECDRO COC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)[C@@H]1CCCO1 ZINC000296591181 378583973 /nfs/dbraw/zinc/58/39/73/378583973.db2.gz WVTQBFHEPPNXDO-IPYPFGDCSA-N 1 0 277.364 2.163 20 10 CECDRO COc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000217896708 394456129 /nfs/dbraw/zinc/45/61/29/394456129.db2.gz GZQDXYGWMJPVIR-KGLIPLIRSA-N 1 0 276.380 2.069 20 10 CECDRO Cc1cccc(C[NH2+]Cc2cccc(CO)c2)c1O ZINC000224794201 394467647 /nfs/dbraw/zinc/46/76/47/394467647.db2.gz SSEMGJXMPAIZRL-UHFFFAOYSA-N 1 0 257.333 2.483 20 10 CECDRO COCCCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000227442532 394472181 /nfs/dbraw/zinc/47/21/81/394472181.db2.gz OIPOHVSXFRNPBF-UHFFFAOYSA-N 1 0 267.325 2.027 20 10 CECDRO Cc1cc(O)c(C[N@H+](CCO)Cc2cccnc2)cc1C ZINC000093085918 394664885 /nfs/dbraw/zinc/66/48/85/394664885.db2.gz KITFKQLSNZIQTQ-UHFFFAOYSA-N 1 0 286.375 2.399 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c1 ZINC000093418580 394666405 /nfs/dbraw/zinc/66/64/05/394666405.db2.gz JRWBECZBIGKORI-NWDGAFQWSA-N 1 0 265.353 2.400 20 10 CECDRO CCN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109769036 394735132 /nfs/dbraw/zinc/73/51/32/394735132.db2.gz RRHBYVIVCJFHBJ-GFCCVEGCSA-N 1 0 264.369 2.081 20 10 CECDRO CC[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccccc1O ZINC000274953373 394802735 /nfs/dbraw/zinc/80/27/35/394802735.db2.gz VNHPMWKTBYBQPC-CYBMUJFWSA-N 1 0 276.380 2.479 20 10 CECDRO CCC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122010321 394807470 /nfs/dbraw/zinc/80/74/70/394807470.db2.gz JHHDRFITRMAHNP-UHFFFAOYSA-N 1 0 252.333 2.366 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CCO[C@H]2C2CC2)cc1OC ZINC000362240327 394849580 /nfs/dbraw/zinc/84/95/80/394849580.db2.gz VEDDMMDRWNNPNZ-LRDDRELGSA-N 1 0 293.363 2.067 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1O ZINC000132770236 394936932 /nfs/dbraw/zinc/93/69/32/394936932.db2.gz YHKJPXVBHSRNLB-QWHCGFSZSA-N 1 0 263.337 2.154 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c1O ZINC000133114057 394945428 /nfs/dbraw/zinc/94/54/28/394945428.db2.gz PHUDOVWOSOFASB-NSHDSACASA-N 1 0 265.353 2.400 20 10 CECDRO CC(=O)N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000133273471 394947863 /nfs/dbraw/zinc/94/78/63/394947863.db2.gz DMADFWFPIHLNNA-UHFFFAOYSA-N 1 0 282.771 2.100 20 10 CECDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(C)ccc1O)C2 ZINC000372951715 395050406 /nfs/dbraw/zinc/05/04/06/395050406.db2.gz JXDOCOGCWSJSHU-YOEHRIQHSA-N 1 0 289.375 2.476 20 10 CECDRO CN(C)c1ccc(C2=CC[N@H+](C[C@H]3CCOC3)C2)cc1 ZINC000373122590 395054849 /nfs/dbraw/zinc/05/48/49/395054849.db2.gz GFIOCHQKPXNSLA-CQSZACIVSA-N 1 0 272.392 2.488 20 10 CECDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373324769 395058934 /nfs/dbraw/zinc/05/89/34/395058934.db2.gz QRJUEQADRKWUHE-CQSZACIVSA-N 1 0 267.756 2.392 20 10 CECDRO COc1cccc(C[NH+]2CCC3(CCO3)CC2)c1O ZINC000374335115 395080971 /nfs/dbraw/zinc/08/09/71/395080971.db2.gz WZSRTPHPOPXKLP-UHFFFAOYSA-N 1 0 263.337 2.156 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@@H](COC(C)C)C2)c1O ZINC000372123854 395035079 /nfs/dbraw/zinc/03/50/79/395035079.db2.gz DOENQNFELFUANE-OAHLLOKOSA-N 1 0 279.380 2.326 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC000372359316 395040463 /nfs/dbraw/zinc/04/04/63/395040463.db2.gz UUWIZSGERRNLGO-MRXNPFEDSA-N 1 0 274.408 2.490 20 10 CECDRO CC(C)(CO)[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000290897600 395118769 /nfs/dbraw/zinc/11/87/69/395118769.db2.gz LVEWKRVUAKQNTA-AWEZNQCLSA-N 1 0 267.344 2.418 20 10 CECDRO C[C@H]1CN(Cc2cc(Cl)ccc2O)CC[S@](=O)C1 ZINC000375950186 395105505 /nfs/dbraw/zinc/10/55/05/395105505.db2.gz ZWZBSUYJWDCDMM-YPMLDQLKSA-N 1 0 287.812 2.246 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCO[C@H]2CCOC2)c1 ZINC000182392020 395240200 /nfs/dbraw/zinc/24/02/00/395240200.db2.gz PUCSOOFZWJBXFE-OCCSQVGLSA-N 1 0 295.379 2.247 20 10 CECDRO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179557437 395195756 /nfs/dbraw/zinc/19/57/56/395195756.db2.gz ZMGHEDSENPOPRU-ZDUSSCGKSA-N 1 0 278.352 2.103 20 10 CECDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000183060969 395251649 /nfs/dbraw/zinc/25/16/49/395251649.db2.gz UMUYRTXGBZPSBD-KBPBESRZSA-N 1 0 291.439 2.393 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@]2(O)CCC[C@@H]2C)cc1OC ZINC000293828757 395252399 /nfs/dbraw/zinc/25/23/99/395252399.db2.gz AMQGYGXFXQGBIQ-MEDUHNTESA-N 1 0 295.379 2.050 20 10 CECDRO Cc1cccc(C[NH2+][C@]2(CO)COc3ccccc3C2)c1O ZINC000529643059 395425726 /nfs/dbraw/zinc/42/57/26/395425726.db2.gz IELASHPAZPAFAU-GOSISDBHSA-N 1 0 299.370 2.156 20 10 CECDRO CC[C@@H]([NH2+]CCCOCCOC)c1ccccc1O ZINC000020192371 171058536 /nfs/dbraw/zinc/05/85/36/171058536.db2.gz PZDDMXUSVFGUHW-CQSZACIVSA-N 1 0 267.369 2.486 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H](CC(C)C)N(C)C)c1 ZINC000020201879 171065943 /nfs/dbraw/zinc/06/59/43/171065943.db2.gz QNGZOFBMNMRIQQ-AWEZNQCLSA-N 1 0 280.412 2.467 20 10 CECDRO CC[C@@H]([NH2+]CCO)c1cc(Br)ccc1O ZINC000020597022 171265940 /nfs/dbraw/zinc/26/59/40/171265940.db2.gz NMEMWGIOECCRQW-SNVBAGLBSA-N 1 0 274.158 2.188 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000035601136 172289913 /nfs/dbraw/zinc/28/99/13/172289913.db2.gz AUAJZHVJQISIPW-MRXNPFEDSA-N 1 0 273.332 2.224 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1O ZINC000093418394 260276071 /nfs/dbraw/zinc/27/60/71/260276071.db2.gz VDUKULACYWXALT-QWRGUYRKSA-N 1 0 251.326 2.010 20 10 CECDRO CC[C@@H]([NH2+]CCN(C)CCCOC)c1ccccc1O ZINC000156028210 261111666 /nfs/dbraw/zinc/11/16/66/261111666.db2.gz SCXUKGYPGNIPQC-OAHLLOKOSA-N 1 0 280.412 2.401 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[NH2+]C1 ZINC000156731123 261130966 /nfs/dbraw/zinc/13/09/66/261130966.db2.gz KZRWFNNEIUIEDP-ZDUSSCGKSA-N 1 0 276.380 2.130 20 10 CECDRO C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1ccc(N(C)C)cc1 ZINC000158175245 261159915 /nfs/dbraw/zinc/15/99/15/261159915.db2.gz NCFRNPSSJVVGBQ-DOMZBBRYSA-N 1 0 280.437 2.271 20 10 CECDRO NC(=O)CC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000159795524 261194354 /nfs/dbraw/zinc/19/43/54/261194354.db2.gz STVDOXUTBJTEAK-UHFFFAOYSA-N 1 0 282.771 2.133 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@](C)(O)CCOC)c(O)c1 ZINC000172069795 261491864 /nfs/dbraw/zinc/49/18/64/261491864.db2.gz CCVCRQZOBXLZOX-INIZCTEOSA-N 1 0 297.395 2.058 20 10 CECDRO CCC(CC)(CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000182209179 261929706 /nfs/dbraw/zinc/92/97/06/261929706.db2.gz OELMHEPRLMELSD-UHFFFAOYSA-N 1 0 283.368 2.050 20 10 CECDRO COCCN(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185314950 262049655 /nfs/dbraw/zinc/04/96/55/262049655.db2.gz YEZTYMBLHPDLHZ-NSHDSACASA-N 1 0 286.803 2.274 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185512185 262057634 /nfs/dbraw/zinc/05/76/34/262057634.db2.gz RZFVVKSISSIFOP-VYUIOLGVSA-N 1 0 273.373 2.294 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185512220 262057984 /nfs/dbraw/zinc/05/79/84/262057984.db2.gz RZFVVKSISSIFOP-JRKPZEMJSA-N 1 0 273.373 2.294 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185511802 262058148 /nfs/dbraw/zinc/05/81/48/262058148.db2.gz PLIVAYKIDZMTGZ-JTNHKYCSSA-N 1 0 269.410 2.464 20 10 CECDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000186110871 262079821 /nfs/dbraw/zinc/07/98/21/262079821.db2.gz AIWLSAUPPXWWLJ-OLZOCXBDSA-N 1 0 291.395 2.155 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1cc(Cl)ccc1O ZINC000186505113 262095293 /nfs/dbraw/zinc/09/52/93/262095293.db2.gz XXUTUSRTLOCXRN-SECBINFHSA-N 1 0 282.771 2.222 20 10 CECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCO)c1O ZINC000186939291 262330825 /nfs/dbraw/zinc/33/08/25/262330825.db2.gz GCFIKCKHFABFBD-QMMMGPOBSA-N 1 0 274.158 2.106 20 10 CECDRO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cc(C)ccc1O ZINC000281220885 263067380 /nfs/dbraw/zinc/06/73/80/263067380.db2.gz KIGLHMWUTOCUKX-GFCCVEGCSA-N 1 0 265.353 2.474 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000283833582 263084450 /nfs/dbraw/zinc/08/44/50/263084450.db2.gz FHNMSPNXJBXHKB-GOEBONIOSA-N 1 0 294.439 2.000 20 10 CECDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000290447301 263116941 /nfs/dbraw/zinc/11/69/41/263116941.db2.gz MDLVDIYCGNXUMM-MRXNPFEDSA-N 1 0 293.363 2.248 20 10 CECDRO NC(=O)CC1C[NH+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000297335037 263203614 /nfs/dbraw/zinc/20/36/14/263203614.db2.gz FFLJUKQQGVMPLZ-UHFFFAOYSA-N 1 0 296.370 2.366 20 10 CECDRO O=C1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)[C@H]2CCCCN12 ZINC000370287040 267306388 /nfs/dbraw/zinc/30/63/88/267306388.db2.gz BFGHMYRAHDXWGS-CHWSQXEVSA-N 1 0 294.782 2.289 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000288644677 273821506 /nfs/dbraw/zinc/82/15/06/273821506.db2.gz UQTXRLBTSWFMGR-AEFFLSMTSA-N 1 0 298.386 2.337 20 10 CECDRO CC1(C)CN(CC[NH2+][C@@H]2CCc3cccc(O)c32)CCO1 ZINC000297640433 275845700 /nfs/dbraw/zinc/84/57/00/275845700.db2.gz JSVQYTSHQIKCLB-CQSZACIVSA-N 1 0 290.407 2.080 20 10 CECDRO CCOc1cccc(C[NH2+][C@]23C[C@H]2COC3(C)C)c1O ZINC000527765032 313200256 /nfs/dbraw/zinc/20/02/56/313200256.db2.gz IDQHSGPWNDGDKU-BLLLJJGKSA-N 1 0 277.364 2.448 20 10 CECDRO COc1cccc(C[NH2+][C@]23C[C@H]2COC3(C)C)c1O ZINC000527766948 313200811 /nfs/dbraw/zinc/20/08/11/313200811.db2.gz RKIBGKPQIXEXGH-XHDPSFHLSA-N 1 0 263.337 2.058 20 10 CECDRO CCNC(=O)C1(C[NH2+][C@H](C)c2cc(F)ccc2O)CCC1 ZINC000277204533 328220736 /nfs/dbraw/zinc/22/07/36/328220736.db2.gz JTRSKTNFPOMGBI-LLVKDONJSA-N 1 0 294.370 2.488 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@](C)(O)CC2)c1O ZINC000279741581 328233367 /nfs/dbraw/zinc/23/33/67/328233367.db2.gz XJGXBKJVVDGESG-HNNXBMFYSA-N 1 0 265.353 2.138 20 10 CECDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000290104582 328257970 /nfs/dbraw/zinc/25/79/70/328257970.db2.gz IFDXOJKMGPXKFG-UBHSHLNASA-N 1 0 265.353 2.073 20 10 CECDRO C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(F)ccc1O ZINC000377798502 329030059 /nfs/dbraw/zinc/03/00/59/329030059.db2.gz IZXNWXZAUMYTES-ONGXEEELSA-N 1 0 275.327 2.463 20 10 CECDRO Oc1ccccc1CN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000378369303 329047735 /nfs/dbraw/zinc/04/77/35/329047735.db2.gz INNHCMZGWYGXSQ-UHFFFAOYSA-N 1 0 290.407 2.079 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)c1O ZINC000378439955 329050439 /nfs/dbraw/zinc/05/04/39/329050439.db2.gz XLFJVYJTBBWIKA-HNNXBMFYSA-N 1 0 288.391 2.191 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCCN(c3ccncn3)C2)c1O ZINC000378457127 329051568 /nfs/dbraw/zinc/05/15/68/329051568.db2.gz PXTJKSGYCJWIDK-OAHLLOKOSA-N 1 0 298.390 2.249 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1F ZINC000378516643 329053789 /nfs/dbraw/zinc/05/37/89/329053789.db2.gz LVUVARXYFGRCHF-WMLDXEAASA-N 1 0 291.414 2.418 20 10 CECDRO Oc1ccccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000179580754 329209625 /nfs/dbraw/zinc/20/96/25/329209625.db2.gz WEGFSSRBKANTDO-HNNXBMFYSA-N 1 0 270.332 2.441 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccccc1O ZINC000359990934 329644712 /nfs/dbraw/zinc/64/47/12/329644712.db2.gz CSRKREDUKSDROC-GFQSEFKGSA-N 1 0 274.364 2.052 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@]2(C)OCC)c1 ZINC000527783331 330283126 /nfs/dbraw/zinc/28/31/26/330283126.db2.gz IYUCPAANLMNCEG-CABCVRRESA-N 1 0 265.353 2.448 20 10 CECDRO CCn1nncc1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000527920310 330295580 /nfs/dbraw/zinc/29/55/80/330295580.db2.gz NVYZSBNIMSNNCN-LLVKDONJSA-N 1 0 260.341 2.163 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)CCO1 ZINC000219887608 333158672 /nfs/dbraw/zinc/15/86/72/333158672.db2.gz QVRPSKLSRLVJNF-ZBFHGGJFSA-N 1 0 290.407 2.180 20 10 CECDRO C[C@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1nccs1 ZINC000230694810 333320991 /nfs/dbraw/zinc/32/09/91/333320991.db2.gz YGBHYAOVQLVSHM-SECBINFHSA-N 1 0 292.360 2.471 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)C(F)(F)F)c1O ZINC000230934177 333322773 /nfs/dbraw/zinc/32/27/73/333322773.db2.gz YKYHGBPTVHJGRW-SECBINFHSA-N 1 0 299.676 2.067 20 10 CECDRO Cc1nn(C)c2ncc(C[NH2+]Cc3ccccc3O)cc12 ZINC000134232285 334085167 /nfs/dbraw/zinc/08/51/67/334085167.db2.gz YMTNVVTWTIEHHQ-UHFFFAOYSA-N 1 0 282.347 2.272 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000252806386 334393787 /nfs/dbraw/zinc/39/37/87/334393787.db2.gz HBFOFZVAXVUPNA-SRVKXCTJSA-N 1 0 265.353 2.476 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H](C)OC)c1 ZINC000289623753 521140749 /nfs/dbraw/zinc/14/07/49/521140749.db2.gz LRJKHHWRWUKXRU-LLVKDONJSA-N 1 0 253.342 2.258 20 10 CECDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000279781612 519552474 /nfs/dbraw/zinc/55/24/74/519552474.db2.gz LIBAFQJVTSMUCR-GFCCVEGCSA-N 1 0 296.798 2.394 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000188502453 520215491 /nfs/dbraw/zinc/21/54/91/520215491.db2.gz BRYGQEDPEXJTRT-OLZOCXBDSA-N 1 0 277.412 2.270 20 10 CECDRO CCCOc1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c(O)c1 ZINC000280568728 520352490 /nfs/dbraw/zinc/35/24/90/520352490.db2.gz VPZBNBPMFBVCJH-HNNXBMFYSA-N 1 0 279.380 2.384 20 10 CECDRO CCCOc1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c(O)c1 ZINC000364846789 520352914 /nfs/dbraw/zinc/35/29/14/520352914.db2.gz VINMQWFNWNCMAE-STQMWFEESA-N 1 0 283.343 2.086 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@H](C)OC)c1 ZINC000289958278 521155237 /nfs/dbraw/zinc/15/52/37/521155237.db2.gz YBMFPSXVZZIUKS-MNOVXSKESA-N 1 0 253.342 2.304 20 10 CECDRO CCC(CC)(CO)[NH2+]Cc1cc(OC)ccc1O ZINC000053047391 521458748 /nfs/dbraw/zinc/45/87/48/521458748.db2.gz FCQSNNGPGNYEIA-UHFFFAOYSA-N 1 0 253.342 2.042 20 10 CECDRO CC[NH+]1CCC(CCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000236851535 521544658 /nfs/dbraw/zinc/54/46/58/521544658.db2.gz HDFXDYCONIIRBZ-UHFFFAOYSA-N 1 0 289.423 2.050 20 10 CECDRO CCCN(Cc1cnn(C)c1)c1ccc(C[NH3+])cc1 ZINC000050539213 521692169 /nfs/dbraw/zinc/69/21/69/521692169.db2.gz PXHAJHWJEHVYTF-UHFFFAOYSA-N 1 0 258.369 2.295 20 10 CECDRO CCNC(=O)[C@@H]([NH2+]Cc1cccc(OCC)c1O)C(C)C ZINC000293013848 521744412 /nfs/dbraw/zinc/74/44/12/521744412.db2.gz PYEHTXSOPRFXOS-AWEZNQCLSA-N 1 0 294.395 2.041 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(CO)CC2)cc1F ZINC000127062661 522175225 /nfs/dbraw/zinc/17/52/25/522175225.db2.gz KKNLIXAZTZBYMB-UHFFFAOYSA-N 1 0 266.360 2.096 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC(C)(C)CCO)cc1 ZINC000080535645 522205052 /nfs/dbraw/zinc/20/50/52/522205052.db2.gz UTZOTIIQJMZXIP-UHFFFAOYSA-N 1 0 250.386 2.251 20 10 CECDRO CC[C@H]([NH2+]CCOCCOC)c1ccc(C)cc1O ZINC000279954602 522596971 /nfs/dbraw/zinc/59/69/71/522596971.db2.gz BYWHVLDKRSAGFK-AWEZNQCLSA-N 1 0 267.369 2.404 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(C)cc1O ZINC000280239239 522612802 /nfs/dbraw/zinc/61/28/02/522612802.db2.gz VWYHDBWPDXSFIW-GOEBONIOSA-N 1 0 289.379 2.208 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1ncnn1C)c1ccccc1O ZINC000276696456 522703923 /nfs/dbraw/zinc/70/39/23/522703923.db2.gz VHQVQCAZWHKUFU-JQWIXIFHSA-N 1 0 260.341 2.323 20 10 CECDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccccc1O ZINC000280852070 522773182 /nfs/dbraw/zinc/77/31/82/522773182.db2.gz LJSZYRCISABUSM-UHFFFAOYSA-N 1 0 251.326 2.071 20 10 CECDRO COCC1(C[NH2+]Cc2cc(F)ccc2O)CCOCC1 ZINC000292888484 522901206 /nfs/dbraw/zinc/90/12/06/522901206.db2.gz YQNUIFLZNTUQDK-UHFFFAOYSA-N 1 0 283.343 2.064 20 10 CECDRO COC(=O)CC1([NH2+]Cc2cc(OC)ccc2O)CCCC1 ZINC000279648917 522933170 /nfs/dbraw/zinc/93/31/70/522933170.db2.gz KEXPDUSXKYDMAL-UHFFFAOYSA-N 1 0 293.363 2.366 20 10 CECDRO CC[C@H]1CC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000292155200 523175357 /nfs/dbraw/zinc/17/53/57/523175357.db2.gz VPKIDGULKCVNJS-NSHDSACASA-N 1 0 251.326 2.394 20 10 CECDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000087013362 523510301 /nfs/dbraw/zinc/51/03/01/523510301.db2.gz VHUVSCCVBZKAMQ-HZMBPMFUSA-N 1 0 253.342 2.212 20 10 CECDRO CN1CCc2cc(CNC(=[NH2+])N3CCCCC3)ccc21 ZINC000364412904 523996954 /nfs/dbraw/zinc/99/69/54/523996954.db2.gz FUSVZSHXXIRLEB-UHFFFAOYSA-N 1 0 272.396 2.189 20 10 CECDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000290062635 524080176 /nfs/dbraw/zinc/08/01/76/524080176.db2.gz FIBLQRZQKHLQJU-AWEZNQCLSA-N 1 0 292.379 2.411 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1O ZINC000291192793 524402214 /nfs/dbraw/zinc/40/22/14/524402214.db2.gz GUUSFKLOIHIOBM-CQSZACIVSA-N 1 0 257.337 2.344 20 10 CECDRO C[C@@H](CNC(=O)Cc1ccc(N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237560571 524657524 /nfs/dbraw/zinc/65/75/24/524657524.db2.gz AEQDWMSFTBERDZ-KGLIPLIRSA-N 1 0 289.423 2.048 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2scnc2C)c1 ZINC000295104201 524753962 /nfs/dbraw/zinc/75/39/62/524753962.db2.gz VHMONJGKCGLSOQ-UHFFFAOYSA-N 1 0 278.377 2.498 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](C)OC)c1 ZINC000191655611 524771551 /nfs/dbraw/zinc/77/15/51/524771551.db2.gz DEIUVXCYWVSRCT-GARJFASQSA-N 1 0 253.342 2.475 20 10 CECDRO C[C@@H](CO)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000289573135 524786951 /nfs/dbraw/zinc/78/69/51/524786951.db2.gz ZVTHAXDZGSBRNM-AWEZNQCLSA-N 1 0 262.397 2.490 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000279709360 525341726 /nfs/dbraw/zinc/34/17/26/525341726.db2.gz SHXYKRFMWVMQMO-XJKSGUPXSA-N 1 0 277.364 2.080 20 10 CECDRO C[C@H]([NH2+]CCn1ccnc1)c1ccc(N(C)C)cc1 ZINC000041119595 525375404 /nfs/dbraw/zinc/37/54/04/525375404.db2.gz YEUVWZBEMJGYAL-ZDUSSCGKSA-N 1 0 258.369 2.300 20 10 CECDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(N(C)C)cc1 ZINC000289738287 525467686 /nfs/dbraw/zinc/46/76/86/525467686.db2.gz KMDMWPFOWSEAMO-GFCCVEGCSA-N 1 0 258.369 2.369 20 10 CECDRO Cc1ccc([C@H]([NH3+])C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000280810366 525961783 /nfs/dbraw/zinc/96/17/83/525961783.db2.gz VRGOONWPYFXWCX-KRWDZBQOSA-N 1 0 297.402 2.377 20 10 CECDRO COc1cccc(C[NH2+]Cc2c(C)n[nH]c2C)c1O ZINC000263793033 526022582 /nfs/dbraw/zinc/02/25/82/526022582.db2.gz NXNVBPUMDGDOAF-UHFFFAOYSA-N 1 0 261.325 2.031 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1O ZINC000285655827 526022747 /nfs/dbraw/zinc/02/27/47/526022747.db2.gz YRKHMGYFWPYWDV-NWDGAFQWSA-N 1 0 265.353 2.163 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C1CC(F)(F)C1)OCO2 ZINC000277763398 526336970 /nfs/dbraw/zinc/33/69/70/526336970.db2.gz XKHBWQPRKQKXRA-UHFFFAOYSA-N 1 0 257.236 2.008 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000236564536 526362698 /nfs/dbraw/zinc/36/26/98/526362698.db2.gz DYGGNQYNPIVWDG-ZJUUUORDSA-N 1 0 255.745 2.296 20 10 CECDRO OC[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1C(F)(F)F ZINC000289685247 527596366 /nfs/dbraw/zinc/59/63/66/527596366.db2.gz OCCXOPSSMVIIRD-NWDGAFQWSA-N 1 0 289.297 2.385 20 10 CECDRO Cc1nn(C)cc1C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000157705565 527692978 /nfs/dbraw/zinc/69/29/78/527692978.db2.gz LVKIMOBRFAJLHJ-UHFFFAOYSA-N 1 0 284.407 2.401 20 10 CECDRO CNC(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000738430898 574451392 /nfs/dbraw/zinc/45/13/92/574451392.db2.gz SSFZBCVUODHIQR-UHFFFAOYSA-N 1 0 284.359 2.285 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@@](C)(O)C2CC2)ccc1OC ZINC000732669687 574625567 /nfs/dbraw/zinc/62/55/67/574625567.db2.gz REQJWFAIPGAEKZ-QGZVFWFLSA-N 1 0 293.407 2.482 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@](C)(O)C(C)C)c(O)c1 ZINC000732818106 574632488 /nfs/dbraw/zinc/63/24/88/574632488.db2.gz VIZLGPXYHGENSH-HNNXBMFYSA-N 1 0 267.369 2.288 20 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Cc1cc(N(C)C)ccc1C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000840912915 628458661 /nfs/dbraw/zinc/45/86/61/628458661.db2.gz PABHPPZDMVUFPK-MRXNPFEDSA-N 1 0 289.423 2.162 20 10 CECDRO COc1ccc(C[NH2+][C@@]2(C)CCCOC2)c(O)c1OC ZINC000893392445 628550106 /nfs/dbraw/zinc/55/01/06/628550106.db2.gz HSAWPINVKKHWAJ-HNNXBMFYSA-N 1 0 281.352 2.068 20 10 CECDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cc(F)ccc1O ZINC000219584745 628812255 /nfs/dbraw/zinc/81/22/55/628812255.db2.gz RLKMCHHWBWCVIU-GXFFZTMASA-N 1 0 252.333 2.233 20 10 CECDRO C[C@@H]1C[C@H](N[C@@H]2C[NH2+]C[C@H]2C)c2c1c(F)ccc2O ZINC000925784339 628821428 /nfs/dbraw/zinc/82/14/28/628821428.db2.gz MLWVJFXIUPAANK-PKZYVASSSA-N 1 0 264.344 2.277 20 10 CECDRO CC[C@@]1(C)COCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893666834 628905790 /nfs/dbraw/zinc/90/57/90/628905790.db2.gz XZPZAOLFSMKYSR-INIZCTEOSA-N 1 0 295.379 2.410 20 10 CECDRO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000840979948 628988520 /nfs/dbraw/zinc/98/85/20/628988520.db2.gz VQBWKIWJTCYZLJ-WBMJQRKESA-N 1 0 287.359 2.127 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCSC[C@@H]2CCO)c1O ZINC000894089923 629119737 /nfs/dbraw/zinc/11/97/37/629119737.db2.gz XZDJDRJOQKHKJF-ZDUSSCGKSA-N 1 0 297.420 2.009 20 10 CECDRO COc1ccc(C[NH2+][C@H](CO)CC2CCC2)c(O)c1OC ZINC000894168099 629181690 /nfs/dbraw/zinc/18/16/90/629181690.db2.gz SDBQSHBGPCXOJJ-ZDUSSCGKSA-N 1 0 295.379 2.050 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(C)cc(OC)c2O)CCO1 ZINC000178849107 629186284 /nfs/dbraw/zinc/18/62/84/629186284.db2.gz JRBCSJTZQUPHRE-CYBMUJFWSA-N 1 0 265.353 2.320 20 10 CECDRO c1ncc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)[nH]1 ZINC000894191283 629200948 /nfs/dbraw/zinc/20/09/48/629200948.db2.gz HZJOGZYASNSMDN-UHFFFAOYSA-N 1 0 288.420 2.253 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCn3ccnc3C2)c1O ZINC000894494316 629495342 /nfs/dbraw/zinc/49/53/42/629495342.db2.gz NMQPNUMPWLQHFB-ZDUSSCGKSA-N 1 0 287.363 2.010 20 10 CECDRO CCOc1ccc(CN(C)Cc2ncc[nH]2)c(O)c1 ZINC000894583720 629545672 /nfs/dbraw/zinc/54/56/72/629545672.db2.gz KUTOCHZBTYROKM-UHFFFAOYSA-N 1 0 261.325 2.146 20 10 CECDRO CC[N@@H+]1CCN(Cc2cc(C)cc(OC)c2O)[C@H](C)C1 ZINC000894746127 629615871 /nfs/dbraw/zinc/61/58/71/629615871.db2.gz PRDRPQSNSIHPCM-CYBMUJFWSA-N 1 0 278.396 2.235 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000795640022 629640059 /nfs/dbraw/zinc/64/00/59/629640059.db2.gz UMCXPQCCQJOJHE-KRWDZBQOSA-N 1 0 291.391 2.390 20 10 CECDRO COc1ccc(C[NH2+]C2CCC(OC)CC2)c(O)c1OC ZINC000894859770 629697251 /nfs/dbraw/zinc/69/72/51/629697251.db2.gz YDCJWEGOGNSLDX-UHFFFAOYSA-N 1 0 295.379 2.457 20 10 CECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894867008 629705476 /nfs/dbraw/zinc/70/54/76/629705476.db2.gz FGUIWTWMOIOKJZ-NEPJUHHUSA-N 1 0 281.352 2.067 20 10 CECDRO COCCCC[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000894964602 629771285 /nfs/dbraw/zinc/77/12/85/629771285.db2.gz SJRJQZYELBMUGF-UHFFFAOYSA-N 1 0 283.368 2.268 20 10 CECDRO COCC1(C)C[NH+](Cc2cc(C)cc(OC)c2O)C1 ZINC000894980450 629781269 /nfs/dbraw/zinc/78/12/69/629781269.db2.gz PSJMTGXJNSIEOQ-UHFFFAOYSA-N 1 0 265.353 2.178 20 10 CECDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895111603 629911058 /nfs/dbraw/zinc/91/10/58/629911058.db2.gz GUCJLZQJLMQMNN-AAEUAGOBSA-N 1 0 297.395 2.296 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ocnc3C)C2)cc1 ZINC000895227981 630042632 /nfs/dbraw/zinc/04/26/32/630042632.db2.gz HKNPAUMZDANNTG-ZDUSSCGKSA-N 1 0 287.363 2.360 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC(O)(C2CC2)C2CC2)c1O ZINC000895279552 630075847 /nfs/dbraw/zinc/07/58/47/630075847.db2.gz VYYUTJCJBSCHGM-UHFFFAOYSA-N 1 0 291.391 2.350 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c1O ZINC000895345873 630126915 /nfs/dbraw/zinc/12/69/15/630126915.db2.gz WYTJJFAVKDWBDG-WBMJQRKESA-N 1 0 279.380 2.160 20 10 CECDRO COc1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c(O)c1OC ZINC000895434755 630183283 /nfs/dbraw/zinc/18/32/83/630183283.db2.gz UOMNWSKOQPSFLP-PJXYFTJBSA-N 1 0 263.337 2.298 20 10 CECDRO COc1cccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c1O ZINC000895438179 630190611 /nfs/dbraw/zinc/19/06/11/630190611.db2.gz ULJRTCUIFDFLMH-CHWSQXEVSA-N 1 0 265.353 2.136 20 10 CECDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(F)cc(F)c3[O-])CC[C@H]21 ZINC000895459941 630202543 /nfs/dbraw/zinc/20/25/43/630202543.db2.gz CJIRFZQWCJGXKR-IINYFYTJSA-N 1 0 282.334 2.196 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000841894168 630417840 /nfs/dbraw/zinc/41/78/40/630417840.db2.gz PBHBPEGIVXXJFZ-NSHDSACASA-N 1 0 290.741 2.475 20 10 CECDRO COc1ccc(C[NH+]2CCC(F)CC2)c(O)c1OC ZINC000896000691 630431183 /nfs/dbraw/zinc/43/11/83/630431183.db2.gz XZSOCQZHUFGHCP-UHFFFAOYSA-N 1 0 269.316 2.343 20 10 CECDRO CO[C@]12CCC[C@@]1([NH2+]Cc1ccc(C)cc1O)CCO2 ZINC000896411724 630557312 /nfs/dbraw/zinc/55/73/12/630557312.db2.gz SKXFENHUIXAVHV-CVEARBPZSA-N 1 0 277.364 2.476 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC2=CCOCC2)c1 ZINC000824597546 635459849 /nfs/dbraw/zinc/45/98/49/635459849.db2.gz UDNIXOWHBZVCAG-UHFFFAOYSA-N 1 0 263.337 2.227 20 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0 293.363 2.395 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCCF)c1ccc(C)cc1O ZINC000800498477 631131165 /nfs/dbraw/zinc/13/11/65/631131165.db2.gz LCIVVKOZGWIATI-DGCLKSJQSA-N 1 0 282.359 2.216 20 10 CECDRO COCCO[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000802652119 631440450 /nfs/dbraw/zinc/44/04/50/631440450.db2.gz LZFPZMPOMFYFEP-HNNXBMFYSA-N 1 0 295.379 2.028 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H](C)CN(C)C)CC2)cc1 ZINC000806169891 631722645 /nfs/dbraw/zinc/72/26/45/631722645.db2.gz SDTAXHPZKRNYTQ-AWEZNQCLSA-N 1 0 291.439 2.204 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843122340 631734571 /nfs/dbraw/zinc/73/45/71/631734571.db2.gz BCMBNHKKAOBEDB-MRXNPFEDSA-N 1 0 260.381 2.276 20 10 CECDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)c1 ZINC000840104058 631856488 /nfs/dbraw/zinc/85/64/88/631856488.db2.gz GPXRNFBGPOMSNT-AWEZNQCLSA-N 1 0 292.379 2.282 20 10 CECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000840119552 631874367 /nfs/dbraw/zinc/87/43/67/631874367.db2.gz SFQKYHXJEPQAQC-OAHLLOKOSA-N 1 0 294.301 2.142 20 10 CECDRO COCCOCC[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000808237557 631939550 /nfs/dbraw/zinc/93/95/50/631939550.db2.gz WOQHQHLSKYELBC-UHFFFAOYSA-N 1 0 290.363 2.035 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1C[C@H]3CCC[C@@H]31)OCO2 ZINC000897952647 631988207 /nfs/dbraw/zinc/98/82/07/631988207.db2.gz IASXJZPRAACWOX-ADEWGFFLSA-N 1 0 261.321 2.399 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCNC2=O)c1O ZINC000808686924 632000930 /nfs/dbraw/zinc/00/09/30/632000930.db2.gz OZGBWRHNJKNMMV-CABZTGNLSA-N 1 0 282.771 2.283 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1O ZINC000808689171 632001264 /nfs/dbraw/zinc/00/12/64/632001264.db2.gz ZLTFJSLXCLUFBV-MWLCHTKSSA-N 1 0 282.771 2.235 20 10 CECDRO COc1nn(C)cc1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000898029450 632023744 /nfs/dbraw/zinc/02/37/44/632023744.db2.gz RPXKENHTBDMAPF-UHFFFAOYSA-N 1 0 275.352 2.041 20 10 CECDRO COc1cccc(O)c1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898172728 632081408 /nfs/dbraw/zinc/08/14/08/632081408.db2.gz WUWGOEGDDVKVIM-UHFFFAOYSA-N 1 0 287.359 2.225 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]Cc1cncnc1 ZINC000809713628 632131375 /nfs/dbraw/zinc/13/13/75/632131375.db2.gz VIRXRBHHQOGHAD-UHFFFAOYSA-N 1 0 294.152 2.235 20 10 CECDRO COc1cccc(C[NH2+]Cc2c(O)cccc2OC)c1O ZINC000809740156 632135747 /nfs/dbraw/zinc/13/57/47/632135747.db2.gz NFDNCRRHIQYJMQ-UHFFFAOYSA-N 1 0 289.331 2.405 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)cc1F ZINC000809742617 632136656 /nfs/dbraw/zinc/13/66/56/632136656.db2.gz AYVFFEZCNNNZAV-GFCCVEGCSA-N 1 0 294.292 2.295 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1 ZINC000840187912 632153618 /nfs/dbraw/zinc/15/36/18/632153618.db2.gz JAZNZLWROKQXNR-HNNXBMFYSA-N 1 0 290.407 2.498 20 10 CECDRO CC(C)Oc1ccc(N(C)C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000809989045 632164733 /nfs/dbraw/zinc/16/47/33/632164733.db2.gz WQEBKPIRURTMCM-INIZCTEOSA-N 1 0 292.423 2.365 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(CC(N)=O)cc2)c1 ZINC000810158543 632189515 /nfs/dbraw/zinc/18/95/15/632189515.db2.gz PEXPLWZGLLYFAD-UHFFFAOYSA-N 1 0 284.359 2.018 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@](C)(CO)C(C)C)c1 ZINC000810173029 632191139 /nfs/dbraw/zinc/19/11/39/632191139.db2.gz VKWGMFBCVWFOAV-HNNXBMFYSA-N 1 0 267.369 2.288 20 10 CECDRO C[C@@H]1CC[NH2+]C[C@H]1NC/C=C\c1ccc(N(C)C)cc1 ZINC000841060003 632362843 /nfs/dbraw/zinc/36/28/43/632362843.db2.gz ZWKMTBGBUHCRDR-AYUWKEHRSA-N 1 0 273.424 2.353 20 10 CECDRO CC[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000926989594 632408913 /nfs/dbraw/zinc/40/89/13/632408913.db2.gz XSNQFOVXTBMANL-XJKSGUPXSA-N 1 0 289.423 2.320 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c1O ZINC000898386280 632477068 /nfs/dbraw/zinc/47/70/68/632477068.db2.gz IZFHZTDRFNVPSL-CRAIPNDOSA-N 1 0 299.370 2.457 20 10 CECDRO CCOC[C@@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450368 632498803 /nfs/dbraw/zinc/49/88/03/632498803.db2.gz QMRPDDLFGSVJRP-RHSMWYFYSA-N 1 0 293.455 2.370 20 10 CECDRO COCC[C@@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449382 632499297 /nfs/dbraw/zinc/49/92/97/632499297.db2.gz DDDNPSSWSDFRHW-RHSMWYFYSA-N 1 0 293.455 2.370 20 10 CECDRO CC[N@H+](Cc1cc2c(cc1O)CCC2)[C@H]1CCOC1 ZINC000812294811 632502156 /nfs/dbraw/zinc/50/21/56/632502156.db2.gz BYTPOTDMNPULNQ-HNNXBMFYSA-N 1 0 261.365 2.492 20 10 CECDRO O=C1C[C@]2([NH2+]Cc3cc(Cl)ccc3O)CCCC[C@@H]2N1 ZINC000898466562 632507524 /nfs/dbraw/zinc/50/75/24/632507524.db2.gz BUXQEMXOTBUVKP-DZGCQCFKSA-N 1 0 294.782 2.337 20 10 CECDRO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000898545398 632533403 /nfs/dbraw/zinc/53/34/03/632533403.db2.gz JKSLUGQOTFXKKV-CQSZACIVSA-N 1 0 276.380 2.110 20 10 CECDRO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](C)OC ZINC000812808777 632588018 /nfs/dbraw/zinc/58/80/18/632588018.db2.gz LSFDUPQGDOKYFT-OAHLLOKOSA-N 1 0 292.423 2.380 20 10 CECDRO COCC1([NH2+]Cc2ccc(N(C)C)cc2)CCOCC1 ZINC000814302646 632822333 /nfs/dbraw/zinc/82/23/33/632822333.db2.gz YAPUAQHQQSYJEN-UHFFFAOYSA-N 1 0 278.396 2.038 20 10 CECDRO Cc1cc(C[N@H+](C)C2(CO)CCC2)ccc1N(C)C ZINC000815121776 632964130 /nfs/dbraw/zinc/96/41/30/632964130.db2.gz XEVYHFCXTLMECA-UHFFFAOYSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2COCCO2)c(O)c1 ZINC000815561485 633031702 /nfs/dbraw/zinc/03/17/02/633031702.db2.gz IHKXOEZXWVJVDW-STQMWFEESA-N 1 0 265.353 2.075 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)c(O)c1 ZINC000815598246 633037234 /nfs/dbraw/zinc/03/72/34/633037234.db2.gz QBYIXZWRXWRWLV-NWDGAFQWSA-N 1 0 285.409 2.093 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)c(O)c1 ZINC000815615272 633038998 /nfs/dbraw/zinc/03/89/98/633038998.db2.gz MNVZUYNCYRQNMK-PZROIBLQSA-N 1 0 269.410 2.427 20 10 CECDRO O=C1CC[C@H]2C[N@H+](Cc3ccc4ccccc4c3O)CCN12 ZINC000816499607 633402085 /nfs/dbraw/zinc/40/20/85/633402085.db2.gz VLFWOEUZQGZOKM-HNNXBMFYSA-N 1 0 296.370 2.352 20 10 CECDRO O=C(NCC[NH2+]Cc1ccc2ccccc2c1O)C1CC1 ZINC000816529308 633407802 /nfs/dbraw/zinc/40/78/02/633407802.db2.gz ODXGKRRDLMBRON-UHFFFAOYSA-N 1 0 284.359 2.161 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)[C@@H]1C ZINC000816649641 633456485 /nfs/dbraw/zinc/45/64/85/633456485.db2.gz GCIOYWRUJWXOAJ-ZIAGYGMSSA-N 1 0 260.381 2.363 20 10 CECDRO Cc1cc(C[N@H+]2C[C@@H](O)CC[C@H]2C)ccc1N(C)C ZINC000817287111 633620294 /nfs/dbraw/zinc/62/02/94/633620294.db2.gz CEEHTWQIBCSSEX-HIFRSBDPSA-N 1 0 262.397 2.406 20 10 CECDRO CN(C)c1ccc(CN(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000817290024 633621228 /nfs/dbraw/zinc/62/12/28/633621228.db2.gz AMUVBYXEPRUDPM-INIZCTEOSA-N 1 0 261.413 2.279 20 10 CECDRO CCCN1C[C@H](C[NH2+]Cc2ccc(N(C)C)cc2)CC1=O ZINC000817411019 633651063 /nfs/dbraw/zinc/65/10/63/633651063.db2.gz LEFMZGNEVIWIMQ-HNNXBMFYSA-N 1 0 289.423 2.101 20 10 CECDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000817412781 633652239 /nfs/dbraw/zinc/65/22/39/633652239.db2.gz OVXPWOHEGSPWPM-JSGCOSHPSA-N 1 0 280.387 2.342 20 10 CECDRO COc1cccc(C[NH2+]CCCC2(O)CCC2)c1O ZINC000817414991 633652879 /nfs/dbraw/zinc/65/28/79/633652879.db2.gz QEALPLUHMGAYAM-UHFFFAOYSA-N 1 0 265.353 2.186 20 10 CECDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1=O ZINC000817589642 633702938 /nfs/dbraw/zinc/70/29/38/633702938.db2.gz OVQUBXKZLLCWAB-RYUDHWBXSA-N 1 0 294.370 2.440 20 10 CECDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(F)c2[O-])C[C@H]1C[NH3+] ZINC000817866288 633747808 /nfs/dbraw/zinc/74/78/08/633747808.db2.gz WWHDCIZOHXOKFR-NTZNESFSSA-N 1 0 266.360 2.337 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)c2nccn21 ZINC000817957797 633799368 /nfs/dbraw/zinc/79/93/68/633799368.db2.gz PGFAYDPOPIXJAG-FZMZJTMJSA-N 1 0 256.353 2.303 20 10 CECDRO CCn1ccnc1[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817958555 633800795 /nfs/dbraw/zinc/80/07/95/633800795.db2.gz XLOAXQFSIFQJBU-GFCCVEGCSA-N 1 0 258.369 2.379 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)cc1[O-] ZINC000817971901 633815984 /nfs/dbraw/zinc/81/59/84/633815984.db2.gz QZHGFDAELJUULV-JFGNBEQYSA-N 1 0 252.333 2.322 20 10 CECDRO COCC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC[NH2+]CC1 ZINC000817973948 633817426 /nfs/dbraw/zinc/81/74/26/633817426.db2.gz HRRGDWIIIREHIF-LBPRGKRZSA-N 1 0 296.386 2.198 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(C)cc1O ZINC000817975761 633818958 /nfs/dbraw/zinc/81/89/58/633818958.db2.gz BAPUWFBSENIEGH-SGMGOOAPSA-N 1 0 266.360 2.441 20 10 CECDRO CCN(C)c1ccc([C@@H](C)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000817983237 633826091 /nfs/dbraw/zinc/82/60/91/633826091.db2.gz ZXXDMVRYXLITLC-PBHICJAKSA-N 1 0 291.439 2.172 20 10 CECDRO COC(=O)CC1CC([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000818331606 633910403 /nfs/dbraw/zinc/91/04/03/633910403.db2.gz XFBODEDJCWFGEK-UHFFFAOYSA-N 1 0 294.370 2.323 20 10 CECDRO COC(=O)CC1CC([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000818332153 633911059 /nfs/dbraw/zinc/91/10/59/633911059.db2.gz KWYOXULMSYVXCE-UHFFFAOYSA-N 1 0 290.407 2.492 20 10 CECDRO Nc1ccc(CCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000818545075 633942664 /nfs/dbraw/zinc/94/26/64/633942664.db2.gz FORCEQVLOUPZLK-HZPDHXFCSA-N 1 0 289.423 2.225 20 10 CECDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000903299190 635046040 /nfs/dbraw/zinc/04/60/40/635046040.db2.gz HIGAPYSIQGGLOT-RFVSLCSESA-N 1 0 295.354 2.473 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C)cc1 ZINC000903321693 635056010 /nfs/dbraw/zinc/05/60/10/635056010.db2.gz HYTIDNREJRJHIP-CJNGLKHVSA-N 1 0 261.413 2.497 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCOC13CCOCC3)CC2 ZINC000903391145 635087764 /nfs/dbraw/zinc/08/77/64/635087764.db2.gz WFTOZEYGIMKFIT-HIFRSBDPSA-N 1 0 289.375 2.307 20 10 CECDRO CC(=O)c1cc(F)cc(CN[C@@H]2CC[NH2+]C23CCC3)c1O ZINC000903465156 635151819 /nfs/dbraw/zinc/15/18/19/635151819.db2.gz DXEURCOZZTXWTE-CQSZACIVSA-N 1 0 292.354 2.108 20 10 CECDRO COc1ccc2c(c1)CCN2C[C@@H]([NH3+])CC(F)F ZINC000903872510 635321014 /nfs/dbraw/zinc/32/10/14/635321014.db2.gz FXUHBODTYBRNNO-JTQLQIEISA-N 1 0 256.296 2.040 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960152 635369563 /nfs/dbraw/zinc/36/95/63/635369563.db2.gz YBSAZTRCQFASBA-MRXNPFEDSA-N 1 0 278.371 2.497 20 10 CECDRO CN(C)c1ccc(CNCc2cc(N)cc[nH+]2)cc1 ZINC000903950405 635383336 /nfs/dbraw/zinc/38/33/36/635383336.db2.gz NCIGVEOFXRWKNM-UHFFFAOYSA-N 1 0 256.353 2.020 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CO)[C@H]2CC)c1 ZINC000824636527 635467917 /nfs/dbraw/zinc/46/79/17/635467917.db2.gz RPRDIJPATWRPTN-SWLSCSKDSA-N 1 0 279.380 2.384 20 10 CECDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000824636817 635468129 /nfs/dbraw/zinc/46/81/29/635468129.db2.gz TYMBCOPWXBJLAA-ZBFHGGJFSA-N 1 0 262.397 2.345 20 10 CECDRO Oc1ccccc1C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000824811150 635502142 /nfs/dbraw/zinc/50/21/42/635502142.db2.gz XEBOITFCYLFALF-UHFFFAOYSA-N 1 0 287.338 2.249 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824846455 635510864 /nfs/dbraw/zinc/51/08/64/635510864.db2.gz SHFFLVDDQXTLDH-YOEHRIQHSA-N 1 0 291.391 2.288 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)Cc2cnn(C)c2)cc1C ZINC000825046050 635547960 /nfs/dbraw/zinc/54/79/60/635547960.db2.gz OZXOXHDQHKLPDD-ZDUSSCGKSA-N 1 0 273.380 2.463 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H](O)C2CCC2)c1 ZINC000825240016 635596892 /nfs/dbraw/zinc/59/68/92/635596892.db2.gz FOCQUJOIGDZWNK-HNNXBMFYSA-N 1 0 265.353 2.042 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc2ccccc2c1O)C(=O)NC ZINC000825316242 635613307 /nfs/dbraw/zinc/61/33/07/635613307.db2.gz MMXSLNVNMMRAPP-CQSZACIVSA-N 1 0 272.348 2.160 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826049760 635752951 /nfs/dbraw/zinc/75/29/51/635752951.db2.gz ZDNOVWBMEJUTRP-XHDPSFHLSA-N 1 0 299.798 2.495 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@]2(O)CCCOC2)cc1Cl ZINC000826142441 635765614 /nfs/dbraw/zinc/76/56/14/635765614.db2.gz CFJRTJUUWUZKTE-OAHLLOKOSA-N 1 0 299.798 2.375 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826511152 635775943 /nfs/dbraw/zinc/77/59/43/635775943.db2.gz DUNCWEHANKFJAE-UHFFFAOYSA-N 1 0 299.309 2.001 20 10 CECDRO CO[C@H](C[NH2+]Cc1cc(Cl)cc(C)c1O)[C@H]1CCOC1 ZINC000826822258 635854917 /nfs/dbraw/zinc/85/49/17/635854917.db2.gz OKXMCBWLTSOWJQ-SMDDNHRTSA-N 1 0 299.798 2.495 20 10 CECDRO CCc1cc(NCc2cccc(OC)c2O)cc[nH+]1 ZINC000827547858 636349326 /nfs/dbraw/zinc/34/93/26/636349326.db2.gz KXHZJMIELFNFKP-UHFFFAOYSA-N 1 0 258.321 2.392 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCCN(C=O)CC2)cc1 ZINC000827877644 636449951 /nfs/dbraw/zinc/44/99/51/636449951.db2.gz RTEWKYCDZDCEGJ-UHFFFAOYSA-N 1 0 289.423 2.197 20 10 CECDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000827913694 636459004 /nfs/dbraw/zinc/45/90/04/636459004.db2.gz HIDGHRWWHFVNQH-KRWDZBQOSA-N 1 0 289.423 2.203 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCCc3n[nH]cc3C2)c1 ZINC000828014101 636486442 /nfs/dbraw/zinc/48/64/42/636486442.db2.gz UIKQKSBXQCVWIT-UHFFFAOYSA-N 1 0 287.363 2.462 20 10 CECDRO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000828656459 636649022 /nfs/dbraw/zinc/64/90/22/636649022.db2.gz YKNHLGHJHARGAZ-JTQLQIEISA-N 1 0 260.341 2.163 20 10 CECDRO Cc1cc(C[NH2+]C2(C(N)=O)CC2)ccc1N1CCCCC1 ZINC000828742343 636666670 /nfs/dbraw/zinc/66/66/70/636666670.db2.gz DMONPQQCMRZNQP-UHFFFAOYSA-N 1 0 287.407 2.093 20 10 CECDRO Cc1cc(C[NH2+][C@H](C)[C@H](C)CO)ccc1N(C)C ZINC000828846949 636698862 /nfs/dbraw/zinc/69/88/62/636698862.db2.gz YWMGNEIVOLDATO-CHWSQXEVSA-N 1 0 250.386 2.168 20 10 CECDRO CC[NH+](CC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876523333 650302260 /nfs/dbraw/zinc/30/22/60/650302260.db2.gz SBFOKHQULAFXME-UHFFFAOYSA-N 1 0 262.397 2.490 20 10 CECDRO COc1cc(Cl)cc(CN[C@H]2CC[NH2+]C2(C)C)c1O ZINC000841086466 637518759 /nfs/dbraw/zinc/51/87/59/637518759.db2.gz OGZDGACGZYTTTE-LBPRGKRZSA-N 1 0 284.787 2.284 20 10 CECDRO Cc1ccc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c(O)c1 ZINC000876579033 650343433 /nfs/dbraw/zinc/34/34/33/650343433.db2.gz LLJMPOWDAUQJQZ-UHFFFAOYSA-N 1 0 290.407 2.437 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccs2)cc1 ZINC000832292339 637535950 /nfs/dbraw/zinc/53/59/50/637535950.db2.gz FYXUITTVSACVGB-CYBMUJFWSA-N 1 0 289.404 2.244 20 10 CECDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccc(N)cc1 ZINC000832659118 637636258 /nfs/dbraw/zinc/63/62/58/637636258.db2.gz MWPRKBRXPFJBMQ-MRXNPFEDSA-N 1 0 289.423 2.192 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088345 637701852 /nfs/dbraw/zinc/70/18/52/637701852.db2.gz VCEBBHIKFXNPRG-WFASDCNBSA-N 1 0 278.371 2.495 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876631315 650367563 /nfs/dbraw/zinc/36/75/63/650367563.db2.gz AOXABKBQTKQLMI-DOMZBBRYSA-N 1 0 294.370 2.078 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)c1ccco1)CC2 ZINC000834502165 637849034 /nfs/dbraw/zinc/84/90/34/637849034.db2.gz NFZGTMGAVHOWCU-YPMHNXCESA-N 1 0 259.305 2.296 20 10 CECDRO CN(C)[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000834518680 637851725 /nfs/dbraw/zinc/85/17/25/637851725.db2.gz MGNUFBIWZVKZNR-KBPBESRZSA-N 1 0 260.381 2.309 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834667879 637912698 /nfs/dbraw/zinc/91/26/98/637912698.db2.gz CPLIKRGHCCOIDC-AAEUAGOBSA-N 1 0 265.353 2.021 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cc(F)ccc1O ZINC000834850761 637971102 /nfs/dbraw/zinc/97/11/02/637971102.db2.gz OYOJBXJYAGGTKU-JSGCOSHPSA-N 1 0 296.386 2.029 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000834904071 637982445 /nfs/dbraw/zinc/98/24/45/637982445.db2.gz MMYRLDPQKVAIDX-APHBMKBZSA-N 1 0 278.396 2.207 20 10 CECDRO CC[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(N(C)C)cc1 ZINC000834909599 637985176 /nfs/dbraw/zinc/98/51/76/637985176.db2.gz SOCJZVYJMCQTJT-NVXWUHKLSA-N 1 0 289.423 2.462 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)cc1 ZINC000834910084 637986064 /nfs/dbraw/zinc/98/60/64/637986064.db2.gz VLVVSDOIMQDZSG-SUMWQHHRSA-N 1 0 289.423 2.462 20 10 CECDRO CN(C)c1ccc(C=CC[NH2+]Cc2cc[nH]n2)cc1 ZINC000835036252 638032858 /nfs/dbraw/zinc/03/28/58/638032858.db2.gz NWTUTZUGKZFXJR-ARJAWSKDSA-N 1 0 256.353 2.279 20 10 CECDRO C[C@@H](CCO)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835042209 638035110 /nfs/dbraw/zinc/03/51/10/638035110.db2.gz HECYUMBQMZKKEY-NNTXTVRGSA-N 1 0 262.397 2.374 20 10 CECDRO COC(=O)C1(C[NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835045915 638036647 /nfs/dbraw/zinc/03/66/47/638036647.db2.gz LOWFARQQKHWQBW-PLNGDYQASA-N 1 0 288.391 2.309 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH+]2CC3(C2)CCOC3)cc1 ZINC000835056286 638042199 /nfs/dbraw/zinc/04/21/99/638042199.db2.gz SSWXPVRSOJDEIT-ARJAWSKDSA-N 1 0 272.392 2.488 20 10 CECDRO CCNC(=O)C(C)(C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835076609 638049561 /nfs/dbraw/zinc/04/95/61/638049561.db2.gz SNCGDNGMGAGOHR-BQYQJAHWSA-N 1 0 289.423 2.270 20 10 CECDRO CN1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000876731213 650412933 /nfs/dbraw/zinc/41/29/33/650412933.db2.gz GJHBCOZWOXHRJG-CKXPSTMWSA-N 1 0 285.391 2.025 20 10 CECDRO CN1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000876754329 650421219 /nfs/dbraw/zinc/42/12/19/650421219.db2.gz MQHUANGRLWWROP-WHLNPGIBSA-N 1 0 299.418 2.021 20 10 CECDRO Cc1ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c(O)c1 ZINC000876783542 650430146 /nfs/dbraw/zinc/43/01/46/650430146.db2.gz GCPPASHXZKSKJM-INIZCTEOSA-N 1 0 291.391 2.471 20 10 CECDRO CO[C@H](C)c1noc(CN(C)Cc2ccc(C)cc2O)n1 ZINC000876794476 650434920 /nfs/dbraw/zinc/43/49/20/650434920.db2.gz AHCICPXAZBUBPJ-LLVKDONJSA-N 1 0 291.351 2.423 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(O)c1 ZINC000876815276 650443778 /nfs/dbraw/zinc/44/37/78/650443778.db2.gz WGUUSDJZCOCJGD-AWEZNQCLSA-N 1 0 286.379 2.204 20 10 CECDRO Cc1ccc(C[NH2+]CCOCC(F)(F)F)c(O)c1 ZINC000876909487 650482757 /nfs/dbraw/zinc/48/27/57/650482757.db2.gz ABLMLXPXSQSXGN-UHFFFAOYSA-N 1 0 263.259 2.369 20 10 CECDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(N(C)C)nc1 ZINC000876927118 650489438 /nfs/dbraw/zinc/48/94/38/650489438.db2.gz RJTWOWUZWIOWBC-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)C[C@@H]2CCOC2)c1O ZINC000164459876 639376717 /nfs/dbraw/zinc/37/67/17/639376717.db2.gz WJDOVQPINLFFQF-LBPRGKRZSA-N 1 0 265.353 2.178 20 10 CECDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(N)cc3)CC[C@@H]21 ZINC000166707818 639480245 /nfs/dbraw/zinc/48/02/45/639480245.db2.gz SHQWCRYRQKEMHE-DOMZBBRYSA-N 1 0 288.395 2.217 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CCN1CCSCC1 ZINC000226246884 639531807 /nfs/dbraw/zinc/53/18/07/639531807.db2.gz WTNCNIMGFFGKEH-UHFFFAOYSA-N 1 0 286.828 2.184 20 10 CECDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000840827023 639553298 /nfs/dbraw/zinc/55/32/98/639553298.db2.gz ZHLNGEOQCZQKJO-GMTLJSCSSA-N 1 0 281.327 2.083 20 10 CECDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000840826559 639553998 /nfs/dbraw/zinc/55/39/98/639553998.db2.gz OCJPZGZVZCVYSX-TVYUQYBPSA-N 1 0 285.771 2.418 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000840827204 639554321 /nfs/dbraw/zinc/55/43/21/639554321.db2.gz GCQBNFCARLXHBL-HOCLYGCPSA-N 1 0 289.423 2.320 20 10 CECDRO CCC[C@@H](CCO)C[NH2+]Cc1cc(F)ccc1O ZINC000226612314 639555456 /nfs/dbraw/zinc/55/54/56/639555456.db2.gz UKCCKZYSQLQKRX-NSHDSACASA-N 1 0 255.333 2.420 20 10 CECDRO CC[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccccc1O ZINC000840882670 639570776 /nfs/dbraw/zinc/57/07/76/639570776.db2.gz JPOCTGLWGLZKHG-CYBMUJFWSA-N 1 0 283.393 2.010 20 10 CECDRO Cc1cc(O)c(C[NH2+]C2CCC(C(N)=O)CC2)c(Cl)c1 ZINC000840897227 639576684 /nfs/dbraw/zinc/57/66/84/639576684.db2.gz BUSWEVDUFGQSBP-UHFFFAOYSA-N 1 0 296.798 2.488 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](O)C2)c(Cl)c1 ZINC000840908956 639581545 /nfs/dbraw/zinc/58/15/45/639581545.db2.gz ZJLAZSKJYTUOJC-JTQLQIEISA-N 1 0 255.745 2.311 20 10 CECDRO COc1ccc(N2CC[NH+](CCOCC3CC3)CC2)cc1 ZINC000158277100 639583622 /nfs/dbraw/zinc/58/36/22/639583622.db2.gz KIGKUQFNPXPFSC-UHFFFAOYSA-N 1 0 290.407 2.244 20 10 CECDRO CC(=O)NC1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840913651 639584931 /nfs/dbraw/zinc/58/49/31/639584931.db2.gz ZPANGIFKHQORGD-UHFFFAOYSA-N 1 0 289.423 2.162 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000840936350 639591052 /nfs/dbraw/zinc/59/10/52/639591052.db2.gz CULPDQLQJKFYHF-HNNXBMFYSA-N 1 0 289.423 2.162 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000840938850 639592798 /nfs/dbraw/zinc/59/27/98/639592798.db2.gz HRXVWZORNQCLQK-HOTGVXAUSA-N 1 0 262.397 2.454 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c(Cl)c1 ZINC000840941274 639594638 /nfs/dbraw/zinc/59/46/38/639594638.db2.gz VHWXZJYFFGBYES-OAHLLOKOSA-N 1 0 294.782 2.066 20 10 CECDRO CN(C)c1ccc(/C=C/CN[C@H](C[NH3+])C2CC2)cc1 ZINC000841027938 639621338 /nfs/dbraw/zinc/62/13/38/639621338.db2.gz GSPMMPFOQQDGGV-QDLOVBKTSA-N 1 0 259.397 2.093 20 10 CECDRO CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841030529 639622814 /nfs/dbraw/zinc/62/28/14/639622814.db2.gz MKMCBXPARPOERB-NSHDSACASA-N 1 0 260.740 2.258 20 10 CECDRO CN(C)c1ccc(/C=C\CNC[C@@H]2CCC[NH2+]2)cc1 ZINC000841034529 639626302 /nfs/dbraw/zinc/62/63/02/639626302.db2.gz DYUAUNZHBQVWDV-QTLSWZBMSA-N 1 0 259.397 2.107 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841037079 639628659 /nfs/dbraw/zinc/62/86/59/639628659.db2.gz SDWSJNOODWNJSV-SNVBAGLBSA-N 1 0 254.761 2.135 20 10 CECDRO Cc1cc(Cl)cc(CN[C@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841057591 639635219 /nfs/dbraw/zinc/63/52/19/639635219.db2.gz AKYCVDOINXCSKC-RNCFNFMXSA-N 1 0 268.788 2.442 20 10 CECDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000841059002 639636328 /nfs/dbraw/zinc/63/63/28/639636328.db2.gz IYMWOIFCGALOKD-PBHICJAKSA-N 1 0 273.424 2.374 20 10 CECDRO C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841063241 639638177 /nfs/dbraw/zinc/63/81/77/639638177.db2.gz GUKKFPVJXUEWPP-LDYMZIIASA-N 1 0 272.751 2.272 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CC[NH2+]1 ZINC000841062128 639638481 /nfs/dbraw/zinc/63/84/81/639638481.db2.gz GIHQKSQVCCJPBI-IUCAKERBSA-N 1 0 272.751 2.415 20 10 CECDRO CCOc1ccc(O)c(CN[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000841085411 639650438 /nfs/dbraw/zinc/65/04/38/639650438.db2.gz BJLHKBRTLGWHQK-CQSZACIVSA-N 1 0 264.369 2.021 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCOC2)c1O ZINC000228673124 639651794 /nfs/dbraw/zinc/65/17/94/639651794.db2.gz GKUQZKIPNDULRI-LLVKDONJSA-N 1 0 271.744 2.323 20 10 CECDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841300652 639733371 /nfs/dbraw/zinc/73/33/71/639733371.db2.gz YPSGIUQNOIMPDK-AWEZNQCLSA-N 1 0 276.384 2.265 20 10 CECDRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000876996619 650524026 /nfs/dbraw/zinc/52/40/26/650524026.db2.gz XBIWTTIPYFBICO-WFASDCNBSA-N 1 0 288.391 2.158 20 10 CECDRO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(Cl)cc1O ZINC000841748366 639857468 /nfs/dbraw/zinc/85/74/68/639857468.db2.gz XBISIOMNDISBJQ-NEPJUHHUSA-N 1 0 298.814 2.417 20 10 CECDRO COC(=O)N1CC([NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000841751705 639858534 /nfs/dbraw/zinc/85/85/34/639858534.db2.gz OJAPTMLKWPCYHD-QMMMGPOBSA-N 1 0 284.743 2.147 20 10 CECDRO Nc1ccc(CCNC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000841847929 639881030 /nfs/dbraw/zinc/88/10/30/639881030.db2.gz NDJVEIXWXPALQQ-QGZVFWFLSA-N 1 0 297.402 2.408 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000841894167 639901285 /nfs/dbraw/zinc/90/12/85/639901285.db2.gz PBHBPEGIVXXJFZ-LLVKDONJSA-N 1 0 290.741 2.475 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCN(CC3CC3)C2)c(O)c1 ZINC000877024965 650536305 /nfs/dbraw/zinc/53/63/05/650536305.db2.gz UVGYTFJSSHOBKG-HNNXBMFYSA-N 1 0 260.381 2.275 20 10 CECDRO CSC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877051771 650548692 /nfs/dbraw/zinc/54/86/92/650548692.db2.gz NLGMNWZYZXASPJ-CYBMUJFWSA-N 1 0 294.464 2.489 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000877060217 650553377 /nfs/dbraw/zinc/55/33/77/650553377.db2.gz VJKNXPCRBRDSPD-CQSZACIVSA-N 1 0 279.380 2.233 20 10 CECDRO CC(C)(C[NH2+]Cc1c(O)cccc1Cl)[C@@]1(O)CCOC1 ZINC000842758601 640172442 /nfs/dbraw/zinc/17/24/42/640172442.db2.gz MUIQZAOMSWYQHC-OAHLLOKOSA-N 1 0 299.798 2.313 20 10 CECDRO Cc1cc(Br)c(O)c(CN2CCC[C@@H]([NH3+])C2)c1 ZINC000843043857 640249806 /nfs/dbraw/zinc/24/98/06/640249806.db2.gz MCEFREVWBIHRMB-LLVKDONJSA-N 1 0 299.212 2.386 20 10 CECDRO C[NH2+][C@H]1CCCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843048750 640253683 /nfs/dbraw/zinc/25/36/83/640253683.db2.gz VVIDMAYLTDIFQN-NBUZRDOWSA-N 1 0 273.424 2.450 20 10 CECDRO [NH3+]CCCOC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000843056370 640258578 /nfs/dbraw/zinc/25/85/78/640258578.db2.gz HWAFOYYHCOWIMM-UHFFFAOYSA-N 1 0 298.814 2.375 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCCNC(=O)C1CCC1 ZINC000877082068 650563571 /nfs/dbraw/zinc/56/35/71/650563571.db2.gz MSPVLFNUOBXMTF-UHFFFAOYSA-N 1 0 276.380 2.097 20 10 CECDRO c1cc(CN[C@@H]2CC[NH2+]C23CCCC3)cc2c1OCC2 ZINC000843128550 640295174 /nfs/dbraw/zinc/29/51/74/640295174.db2.gz MJJHMBDSBZMSRG-MRXNPFEDSA-N 1 0 272.392 2.386 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c(O)c1 ZINC000914432986 640403478 /nfs/dbraw/zinc/40/34/78/640403478.db2.gz IQGDKLYPLQRFKE-LSDHHAIUSA-N 1 0 277.364 2.306 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1O ZINC000843369472 640407579 /nfs/dbraw/zinc/40/75/79/640407579.db2.gz NVOLTIKHZSUQSH-AOOOYVTPSA-N 1 0 296.798 2.430 20 10 CECDRO CC[C@@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843486040 640440215 /nfs/dbraw/zinc/44/02/15/640440215.db2.gz OZORYBCGPACTDT-OAHLLOKOSA-N 1 0 277.412 2.227 20 10 CECDRO CCC[NH2+][C@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000843487896 640441002 /nfs/dbraw/zinc/44/10/02/640441002.db2.gz LMPDEOCJRVDUFZ-CQSZACIVSA-N 1 0 291.439 2.489 20 10 CECDRO Cc1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c(O)c1 ZINC000877121394 650581833 /nfs/dbraw/zinc/58/18/33/650581833.db2.gz SJYAPXYNMUMGLR-LLVKDONJSA-N 1 0 263.259 2.104 20 10 CECDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877147675 650594944 /nfs/dbraw/zinc/59/49/44/650594944.db2.gz ZIBMZWJXLFCKPX-RYUDHWBXSA-N 1 0 264.369 2.093 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCCOC2)cc1 ZINC000844401158 640708599 /nfs/dbraw/zinc/70/85/99/640708599.db2.gz KPNVVOKLYLVELS-OAHLLOKOSA-N 1 0 292.423 2.490 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C ZINC000844447186 640728911 /nfs/dbraw/zinc/72/89/11/640728911.db2.gz WLAXPOXFDQCFPD-CYBMUJFWSA-N 1 0 291.439 2.393 20 10 CECDRO Cc1ccc(C[NH2+][C@H](C)c2nnc3n2CCC3)c(O)c1 ZINC000877166209 650606293 /nfs/dbraw/zinc/60/62/93/650606293.db2.gz POYOEZZUJSLOLU-LLVKDONJSA-N 1 0 272.352 2.089 20 10 CECDRO CCCN(CC(=O)OC)Cc1cc2c(cc1O)CCC2 ZINC000918178119 640947630 /nfs/dbraw/zinc/94/76/30/640947630.db2.gz XFSFPDQRHPZGEF-UHFFFAOYSA-N 1 0 277.364 2.266 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(CO)o2)c1 ZINC000845972380 641142238 /nfs/dbraw/zinc/14/22/38/641142238.db2.gz NTWDPSDXQZHOAM-SNVBAGLBSA-N 1 0 277.320 2.337 20 10 CECDRO COc1cccc(C[NH2+]CCC2(CO)CCC2)c1O ZINC000846101359 641180854 /nfs/dbraw/zinc/18/08/54/641180854.db2.gz BCISROBOKHNAIA-UHFFFAOYSA-N 1 0 265.353 2.043 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846112273 641187447 /nfs/dbraw/zinc/18/74/47/641187447.db2.gz YYPWLFATAPVKAW-AWEZNQCLSA-N 1 0 285.771 2.067 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCCn2ccnc2)c1O ZINC000846136049 641197846 /nfs/dbraw/zinc/19/78/46/641197846.db2.gz GSQPHUDBADYILH-LBPRGKRZSA-N 1 0 275.352 2.338 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](C)Cn2ccnc2)c1O ZINC000846138214 641198145 /nfs/dbraw/zinc/19/81/45/641198145.db2.gz AAIFZGMXNGWGCO-VXGBXAGGSA-N 1 0 275.352 2.337 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC2(C)COC2)c1O ZINC000846144255 641200343 /nfs/dbraw/zinc/20/03/43/641200343.db2.gz KBJARTHOCKMJPC-SNVBAGLBSA-N 1 0 251.326 2.088 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](CO)C(C)C)c1O ZINC000846149574 641202864 /nfs/dbraw/zinc/20/28/64/641202864.db2.gz JVNZCMQSJFGSNQ-CMPLNLGQSA-N 1 0 253.342 2.068 20 10 CECDRO CC[C@H](CCO)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846148880 641203378 /nfs/dbraw/zinc/20/33/78/641203378.db2.gz IBQFUFIOKLUXBP-VXGBXAGGSA-N 1 0 267.369 2.460 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1O ZINC000846155319 641205770 /nfs/dbraw/zinc/20/57/70/641205770.db2.gz POAVJCKMXBKUEY-VXGBXAGGSA-N 1 0 292.379 2.061 20 10 CECDRO COc1cccc([C@H](C)[NH2+]Cc2cnn(C)c2C)c1O ZINC000846158297 641207260 /nfs/dbraw/zinc/20/72/60/641207260.db2.gz WMFVRTYWIKRQKI-JTQLQIEISA-N 1 0 275.352 2.294 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC2(CO)CCC2)c1O ZINC000846161708 641207991 /nfs/dbraw/zinc/20/79/91/641207991.db2.gz BFGBRIXULWOFTH-NSHDSACASA-N 1 0 265.353 2.214 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@@H](C)OC)c1O ZINC000846168456 641210371 /nfs/dbraw/zinc/21/03/71/641210371.db2.gz CWNGTJZJWXWUBK-OUAUKWLOSA-N 1 0 253.342 2.475 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](CO)C(C)C)c1O ZINC000846169865 641211609 /nfs/dbraw/zinc/21/16/09/641211609.db2.gz GNMFGKWGFYTXKV-NEPJUHHUSA-N 1 0 267.369 2.316 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CC[C@@]2(O)CCOC2)c2c1c(F)ccc2O ZINC000846191232 641217744 /nfs/dbraw/zinc/21/77/44/641217744.db2.gz AZCXFLXMQZNNOY-RSAASHCRSA-N 1 0 295.354 2.211 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCCC2=O)c(O)c1C ZINC000846205941 641220128 /nfs/dbraw/zinc/22/01/28/641220128.db2.gz LCBHRTDLLNBIBP-ZDUSSCGKSA-N 1 0 276.380 2.282 20 10 CECDRO C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(F)ccc1O ZINC000846214136 641226000 /nfs/dbraw/zinc/22/60/00/641226000.db2.gz SKEUTHVDMOFDAV-XHDPSFHLSA-N 1 0 283.343 2.114 20 10 CECDRO CC(C)[N@H+](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846472022 641310032 /nfs/dbraw/zinc/31/00/32/641310032.db2.gz FDVBHBILLSENEY-UHFFFAOYSA-N 1 0 270.760 2.002 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CC=CCC2)cc1 ZINC000846663983 641381318 /nfs/dbraw/zinc/38/13/18/641381318.db2.gz UDCRSXGWVBCRFF-GOEBONIOSA-N 1 0 287.407 2.225 20 10 CECDRO Cn1cc(CCC[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000237900168 641397656 /nfs/dbraw/zinc/39/76/56/641397656.db2.gz DZKNSJNBXANDGL-UHFFFAOYSA-N 1 0 271.364 2.077 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn3cccnc3n2)c1 ZINC000182429460 641658799 /nfs/dbraw/zinc/65/87/99/641658799.db2.gz QUYWBZTZGAMKJH-LLVKDONJSA-N 1 0 298.346 2.294 20 10 CECDRO COC1(C[NH2+][C@@H](C)c2ccccc2O)CCOCC1 ZINC000183624789 641772038 /nfs/dbraw/zinc/77/20/38/641772038.db2.gz ZXZNGKVWLRJCTQ-LBPRGKRZSA-N 1 0 265.353 2.238 20 10 CECDRO C[C@@H]([NH2+]CCc1ccnn1C)c1cc(F)ccc1O ZINC000184025848 641828648 /nfs/dbraw/zinc/82/86/48/641828648.db2.gz CPFWTJQGOKEODJ-SNVBAGLBSA-N 1 0 263.316 2.158 20 10 CECDRO C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1ccccc1O ZINC000848557408 642051726 /nfs/dbraw/zinc/05/17/26/642051726.db2.gz JSOCVNZBEIDQRM-GWCFXTLKSA-N 1 0 288.351 2.213 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c(O)c1 ZINC000848572799 642060315 /nfs/dbraw/zinc/06/03/15/642060315.db2.gz VXORELFWNIOTTA-DGCLKSJQSA-N 1 0 290.363 2.334 20 10 CECDRO Cc1cc(Cl)cc(CN[C@@H](C[NH3+])C(F)(F)F)c1O ZINC000848714963 642109624 /nfs/dbraw/zinc/10/96/24/642109624.db2.gz YOISDGVNJGDNAJ-VIFPVBQESA-N 1 0 282.693 2.333 20 10 CECDRO CCc1cccc(C[NH2+]CCN2CCOC(C)(C)C2)c1O ZINC000848893967 642176048 /nfs/dbraw/zinc/17/60/48/642176048.db2.gz BFWSTZPAMSHONM-UHFFFAOYSA-N 1 0 292.423 2.155 20 10 CECDRO CCc1cccc(C[NH2+]CCCOC[C@H]2CCOC2)c1O ZINC000848896910 642177139 /nfs/dbraw/zinc/17/71/39/642177139.db2.gz KQOGZEAUGJVMEQ-CQSZACIVSA-N 1 0 293.407 2.487 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)c1O ZINC000848907304 642183985 /nfs/dbraw/zinc/18/39/85/642183985.db2.gz LDFJJORYLUQPLV-BUXKBTBVSA-N 1 0 281.421 2.155 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000848908080 642184165 /nfs/dbraw/zinc/18/41/65/642184165.db2.gz MRKSVAVDTTWLQI-CXAGYDPISA-N 1 0 291.391 2.334 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000083552449 642205412 /nfs/dbraw/zinc/20/54/12/642205412.db2.gz SQZRPVJYTIUQTH-JTQLQIEISA-N 1 0 266.772 2.372 20 10 CECDRO CCN(CC)c1ccc(CNC2=[NH+]CCCN2C)cc1 ZINC000848993309 642213462 /nfs/dbraw/zinc/21/34/62/642213462.db2.gz YGXCZHHGHZEPBQ-UHFFFAOYSA-N 1 0 274.412 2.314 20 10 CECDRO [NH2+]=C(NCc1ccc(N2CC=CC2)cc1)NC1CCC1 ZINC000849009805 642226385 /nfs/dbraw/zinc/22/63/85/642226385.db2.gz RAZHIWOHZFBTEF-UHFFFAOYSA-N 1 0 270.380 2.229 20 10 CECDRO O[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921587150 642251824 /nfs/dbraw/zinc/25/18/24/642251824.db2.gz QJWCSDDZPFBZDG-LSDHHAIUSA-N 1 0 261.365 2.405 20 10 CECDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000921590128 642253429 /nfs/dbraw/zinc/25/34/29/642253429.db2.gz YDVFXFBHDKGRGC-LBPRGKRZSA-N 1 0 275.270 2.024 20 10 CECDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921618573 642270766 /nfs/dbraw/zinc/27/07/66/642270766.db2.gz JHLPKBXBAWOVQL-OLZOCXBDSA-N 1 0 290.407 2.404 20 10 CECDRO COCC[N@H+](Cc1ccnn1C)Cc1c(C)cccc1O ZINC000877483280 650743605 /nfs/dbraw/zinc/74/36/05/650743605.db2.gz RUMATBMECUIDRU-UHFFFAOYSA-N 1 0 289.379 2.083 20 10 CECDRO CN(C)c1ccc(/C=C\CN(C)CC(C)(C)[NH3+])cc1 ZINC000849349685 642340293 /nfs/dbraw/zinc/34/02/93/642340293.db2.gz DXXNTCXXPPQLTQ-SREVYHEPSA-N 1 0 261.413 2.435 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000877487284 650745309 /nfs/dbraw/zinc/74/53/09/650745309.db2.gz SDCYYXWEIKIOIB-CJNGLKHVSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1ccc(C[NH2+]C(C)(C)C(=O)N2CCCC2)c(O)c1 ZINC000877494577 650750733 /nfs/dbraw/zinc/75/07/33/650750733.db2.gz YMKYMQUNJOOJHF-UHFFFAOYSA-N 1 0 276.380 2.191 20 10 CECDRO CCOC(=O)C1(C)CC([NH2+]Cc2cccc(OC)c2O)C1 ZINC000877525650 650767410 /nfs/dbraw/zinc/76/74/10/650767410.db2.gz KIKHYMSCWYHQMW-UHFFFAOYSA-N 1 0 293.363 2.222 20 10 CECDRO COc1cc(C[NH2+]C[C@H](C)O)c(O)c(C(C)(C)C)c1 ZINC000850004331 642538909 /nfs/dbraw/zinc/53/89/09/642538909.db2.gz MEUWXBIIDYQCKV-JTQLQIEISA-N 1 0 267.369 2.169 20 10 CECDRO COc1cc(C[NH2+][C@@H]2CC[C@H]2O)c(O)c(C(C)(C)C)c1 ZINC000850332615 642670069 /nfs/dbraw/zinc/67/00/69/642670069.db2.gz OCDAKQLUHJJKKN-ZIAGYGMSSA-N 1 0 279.380 2.311 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccncc3)C2)cc1 ZINC000850345784 642674487 /nfs/dbraw/zinc/67/44/87/642674487.db2.gz KKJKWWGHPNGAIV-HNNXBMFYSA-N 1 0 283.375 2.459 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCO[C@H]3C)C2)cc1 ZINC000850347762 642675266 /nfs/dbraw/zinc/67/52/66/642675266.db2.gz WVNSRXWXGHGIJU-XEZPLFJOSA-N 1 0 276.380 2.041 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]C[C@H]3CCCOC3)C2)cc1 ZINC000850346265 642675618 /nfs/dbraw/zinc/67/56/18/642675618.db2.gz DLNTYRRGFKDSOW-CABCVRRESA-N 1 0 290.407 2.290 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)C2(CO)CC2)c1 ZINC000850360395 642682379 /nfs/dbraw/zinc/68/23/79/642682379.db2.gz DQSSHWHDLVOPIJ-LLVKDONJSA-N 1 0 265.353 2.042 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c(O)c1 ZINC000850389074 642696390 /nfs/dbraw/zinc/69/63/90/642696390.db2.gz SRWNVKUOLNINIY-LSDHHAIUSA-N 1 0 277.364 2.184 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC2CCC(O)CC2)c1 ZINC000850395047 642698515 /nfs/dbraw/zinc/69/85/15/642698515.db2.gz MSUGKGUNAWJVML-UHFFFAOYSA-N 1 0 279.380 2.432 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)c2nccn2C)c(O)c1 ZINC000850410816 642703185 /nfs/dbraw/zinc/70/31/85/642703185.db2.gz WXKVNPPDOIZGFA-LLVKDONJSA-N 1 0 275.352 2.375 20 10 CECDRO CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921832299 642705446 /nfs/dbraw/zinc/70/54/46/642705446.db2.gz JJWJUDWQDHLFOL-CZUORRHYSA-N 1 0 274.408 2.441 20 10 CECDRO c1[nH]nc2c1CC[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC000921839495 642725946 /nfs/dbraw/zinc/72/59/46/642725946.db2.gz PZFFZWBLYWFYTI-HNNXBMFYSA-N 1 0 283.375 2.382 20 10 CECDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000850484704 642729044 /nfs/dbraw/zinc/72/90/44/642729044.db2.gz OSEQZXIKIHJXGD-JLJPHGGASA-N 1 0 292.423 2.455 20 10 CECDRO CO[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1O)[C@H]1CCOC1 ZINC000850484237 642729182 /nfs/dbraw/zinc/72/91/82/642729182.db2.gz FPTVYNTYLXHXLD-HEHGZKQESA-N 1 0 279.380 2.403 20 10 CECDRO COC[C@H](CC[NH2+][C@@H](C)c1cccc(OC)c1O)OC ZINC000850486308 642730091 /nfs/dbraw/zinc/73/00/91/642730091.db2.gz RWTAVMMPIZXING-RYUDHWBXSA-N 1 0 283.368 2.103 20 10 CECDRO CC[C@H](COC)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489921 642730521 /nfs/dbraw/zinc/73/05/21/642730521.db2.gz YDLPUPXSBLVQLE-KGLIPLIRSA-N 1 0 278.396 2.289 20 10 CECDRO COC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000850493877 642731980 /nfs/dbraw/zinc/73/19/80/642731980.db2.gz KWKQGCLWDQAQRZ-CABCVRRESA-N 1 0 291.391 2.411 20 10 CECDRO C[C@@H]([NH2+]C/C=C/CO)c1cc(Br)ccc1O ZINC000850507856 642735356 /nfs/dbraw/zinc/73/53/56/642735356.db2.gz IJRGBSFOLWUEFH-GKQMSVHHSA-N 1 0 286.169 2.354 20 10 CECDRO COc1ccncc1C[NH2+]Cc1c(C)cccc1O ZINC000877548402 650780855 /nfs/dbraw/zinc/78/08/55/650780855.db2.gz KAIPMEYBIBFPAB-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CC[C@@H](COC)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566914 642753932 /nfs/dbraw/zinc/75/39/32/642753932.db2.gz UEHFWTYCYCUFSX-HNNXBMFYSA-N 1 0 292.423 2.162 20 10 CECDRO C[C@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)[S@@](C)=O ZINC000921862886 642761817 /nfs/dbraw/zinc/76/18/17/642761817.db2.gz UJRABXAKXWQTKP-CWTRNNRKSA-N 1 0 281.421 2.258 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000877553517 650784443 /nfs/dbraw/zinc/78/44/43/650784443.db2.gz UQZHBSCQVSCXPS-UHFFFAOYSA-N 1 0 292.379 2.363 20 10 CECDRO OCC1([NH2+]Cc2ccc3c(c2)CCCO3)CCSCC1 ZINC000922176243 642935576 /nfs/dbraw/zinc/93/55/76/642935576.db2.gz BBGWMCDTCKEKTN-UHFFFAOYSA-N 1 0 293.432 2.359 20 10 CECDRO Cn1cnc(CC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000922178053 642937466 /nfs/dbraw/zinc/93/74/66/642937466.db2.gz PZIOKZUDXDRGTC-UHFFFAOYSA-N 1 0 271.364 2.077 20 10 CECDRO FC(F)CN1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922191386 642946853 /nfs/dbraw/zinc/94/68/53/642946853.db2.gz FCCJRLWLSVWMID-CQSZACIVSA-N 1 0 296.361 2.441 20 10 CECDRO O[C@@]1(CC[NH2+]Cc2ccc3c(c2)CCCO3)CCCOC1 ZINC000922219859 642964403 /nfs/dbraw/zinc/96/44/03/642964403.db2.gz MLGBTBNALJAGKA-QGZVFWFLSA-N 1 0 291.391 2.033 20 10 CECDRO Cc1ccc(C[NH+]2CC(CO)(c3ccccc3)C2)c(O)c1 ZINC000877589650 650803467 /nfs/dbraw/zinc/80/34/67/650803467.db2.gz IFRJHPHOVHNURV-UHFFFAOYSA-N 1 0 283.371 2.447 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000877594989 650806273 /nfs/dbraw/zinc/80/62/73/650806273.db2.gz PAMOQJISQVICBZ-JOCQHMNTSA-N 1 0 276.380 2.082 20 10 CECDRO Nc1ccc(CCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1 ZINC000851632941 643100631 /nfs/dbraw/zinc/10/06/31/643100631.db2.gz YYTNEZZINUGUED-QGZVFWFLSA-N 1 0 295.386 2.162 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000877613079 650815054 /nfs/dbraw/zinc/81/50/54/650815054.db2.gz WDIPBEYUPNIAPR-UHFFFAOYSA-N 1 0 286.379 2.204 20 10 CECDRO C[C@H]1COC[C@H]1[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000922641301 643179731 /nfs/dbraw/zinc/17/97/31/643179731.db2.gz ZZWFCFBONVZIKH-TVQRCGJNSA-N 1 0 270.323 2.155 20 10 CECDRO Cc1cc(CC[NH2+]Cc2ccc3c(c2)CCCO3)nn1C ZINC000922688345 643204724 /nfs/dbraw/zinc/20/47/24/643204724.db2.gz YBNRZAOGSNXMDD-UHFFFAOYSA-N 1 0 285.391 2.386 20 10 CECDRO Cc1cnc(C[NH2+]Cc2cc3c(cc2O)OCO3)c(C)c1 ZINC000922741566 643234439 /nfs/dbraw/zinc/23/44/39/643234439.db2.gz AXMKZZVNHHBNMC-UHFFFAOYSA-N 1 0 286.331 2.423 20 10 CECDRO CCO[C@H](CNCc1ccc(OC)c(C)c1)C[NH+](C)C ZINC000922756593 643247122 /nfs/dbraw/zinc/24/71/22/643247122.db2.gz MHWWLFXOYQZCQU-OAHLLOKOSA-N 1 0 280.412 2.060 20 10 CECDRO Cc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c(O)c1 ZINC000877637255 650828014 /nfs/dbraw/zinc/82/80/14/650828014.db2.gz GMCLRRGYDVDYMU-KRWDZBQOSA-N 1 0 293.407 2.358 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c1 ZINC000922874976 643301963 /nfs/dbraw/zinc/30/19/63/643301963.db2.gz DDAIQZLPYBOQRX-XMQYKBBCSA-N 1 0 277.364 2.473 20 10 CECDRO CC[C@H](C)[N@H+](CC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000852293927 643382781 /nfs/dbraw/zinc/38/27/81/643382781.db2.gz UDSJRWGHAFVYRW-AWEZNQCLSA-N 1 0 291.439 2.489 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(O)c1 ZINC000877657046 650837113 /nfs/dbraw/zinc/83/71/13/650837113.db2.gz GEZPGCKIAVBFFK-TYILLQQXSA-N 1 0 279.405 2.186 20 10 CECDRO Cc1cc(O)c(C[NH2+]Cc2cncc(O)c2)cc1C ZINC000922976168 643486065 /nfs/dbraw/zinc/48/60/65/643486065.db2.gz TUYFZXLDRXOCKZ-UHFFFAOYSA-N 1 0 258.321 2.399 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2cncc(O)c2)c1 ZINC000922976569 643492404 /nfs/dbraw/zinc/49/24/04/643492404.db2.gz AINMHWIXDMYQKT-UHFFFAOYSA-N 1 0 274.320 2.181 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@]1(C)CO ZINC000852701875 643519075 /nfs/dbraw/zinc/51/90/75/643519075.db2.gz GPJNPSRCEIZMJC-BBRMVZONSA-N 1 0 262.397 2.203 20 10 CECDRO Cc1cccc(C[NH+]2CCC(CCO)(CCO)CC2)c1O ZINC000877691838 650853011 /nfs/dbraw/zinc/85/30/11/650853011.db2.gz POYXIHGGMULUAC-UHFFFAOYSA-N 1 0 293.407 2.048 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000877693778 650854321 /nfs/dbraw/zinc/85/43/21/650854321.db2.gz QSEQFLOBQWCHAQ-QPUJVOFHSA-N 1 0 277.286 2.356 20 10 CECDRO Cc1cc(CN(C)[C@H](C[NH3+])C2CC2)ccc1N(C)C ZINC000923357509 643676037 /nfs/dbraw/zinc/67/60/37/643676037.db2.gz PAMYRTSMWVCKDI-MRXNPFEDSA-N 1 0 261.413 2.230 20 10 CECDRO Oc1ccc(CN2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000877707718 650863855 /nfs/dbraw/zinc/86/38/55/650863855.db2.gz ZGMXWBDPUQKSEG-UHFFFAOYSA-N 1 0 298.386 2.416 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2cccc(C(N)=O)c2)cc1 ZINC000035231645 643754208 /nfs/dbraw/zinc/75/42/08/643754208.db2.gz CDPYIULVZVEKOT-UHFFFAOYSA-N 1 0 283.375 2.141 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1 ZINC000853520883 643800855 /nfs/dbraw/zinc/80/08/55/643800855.db2.gz OQRMVEFPUCQWGI-UHFFFAOYSA-N 1 0 286.375 2.379 20 10 CECDRO COc1cc(C[N@H+](C)CC2=CCCOC2)c(O)cc1C ZINC000853562806 643813234 /nfs/dbraw/zinc/81/32/34/643813234.db2.gz WULYDGPWPYESHI-UHFFFAOYSA-N 1 0 277.364 2.488 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1 ZINC000853565700 643814152 /nfs/dbraw/zinc/81/41/52/643814152.db2.gz IWQSYCMXAAUSSE-GDBMZVCRSA-N 1 0 261.365 2.477 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c(O)cc1C ZINC000853591319 643826335 /nfs/dbraw/zinc/82/63/35/643826335.db2.gz PTVNZQXEVQQVLD-GXTWGEPZSA-N 1 0 277.364 2.178 20 10 CECDRO COC(=O)NC1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000853623345 643835274 /nfs/dbraw/zinc/83/52/74/643835274.db2.gz AZJMLMSKXPWMGZ-UHFFFAOYSA-N 1 0 292.379 2.329 20 10 CECDRO C[NH2+]C[C@H](C)N[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000854231985 644018767 /nfs/dbraw/zinc/01/87/67/644018767.db2.gz MOPWINSRVOOAAO-YWVKMMECSA-N 1 0 252.333 2.277 20 10 CECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000839147521 644157726 /nfs/dbraw/zinc/15/77/26/644157726.db2.gz LPDRIOATIRDNSW-TXEJJXNPSA-N 1 0 251.326 2.058 20 10 CECDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000877755751 650898880 /nfs/dbraw/zinc/89/88/80/650898880.db2.gz LVXKAIMYSOWZSE-VCDKRKBESA-N 1 0 263.337 2.240 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC[C@H]1CCOC1=O ZINC000877807940 650917230 /nfs/dbraw/zinc/91/72/30/650917230.db2.gz VHGYUGUVZHEGCN-AWEZNQCLSA-N 1 0 290.407 2.494 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCOC[C@@H](C)C2)c1O ZINC000754749256 644423263 /nfs/dbraw/zinc/42/32/63/644423263.db2.gz ZPSJSQUPPDFLEE-LBPRGKRZSA-N 1 0 265.353 2.178 20 10 CECDRO CC(C)C(=O)NCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756371659 644637671 /nfs/dbraw/zinc/63/76/71/644637671.db2.gz MIGASMHWYMTHJX-ZYHUDNBSSA-N 1 0 294.370 2.441 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1COCCO1)c1cc(Cl)ccc1O ZINC000756434957 644648970 /nfs/dbraw/zinc/64/89/70/644648970.db2.gz RXLKDBZFEPZWGB-GXSJLCMTSA-N 1 0 271.744 2.112 20 10 CECDRO COC1CCN(CC[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000756643324 644678047 /nfs/dbraw/zinc/67/80/47/644678047.db2.gz UDIITTRCSNSSDV-GFCCVEGCSA-N 1 0 296.386 2.293 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cc(F)ccc1O ZINC000756705495 644684212 /nfs/dbraw/zinc/68/42/12/644684212.db2.gz KJFOYWRPGSOOPR-SNVBAGLBSA-N 1 0 280.343 2.241 20 10 CECDRO CC(C)N1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2O)CC1=O ZINC000756739753 644688184 /nfs/dbraw/zinc/68/81/84/644688184.db2.gz ZCFMOKQKCSATAM-CMPLNLGQSA-N 1 0 280.343 2.191 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@H]1CN(C)CCO1 ZINC000756760215 644690304 /nfs/dbraw/zinc/69/03/04/644690304.db2.gz POJOTZQAJKFVPR-FIXISWKDSA-N 1 0 298.814 2.415 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(N(C)C)n2)c(O)c1 ZINC000756792118 644693654 /nfs/dbraw/zinc/69/36/54/644693654.db2.gz YLESSNPYTADBNZ-LBPRGKRZSA-N 1 0 286.379 2.407 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000856811316 644732897 /nfs/dbraw/zinc/73/28/97/644732897.db2.gz GIQHONYHHFQUPS-LLVKDONJSA-N 1 0 282.771 2.064 20 10 CECDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000757440875 644781912 /nfs/dbraw/zinc/78/19/12/644781912.db2.gz ZYRLZIHBOTVWDQ-LLVKDONJSA-N 1 0 282.409 2.161 20 10 CECDRO C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000843058313 644784657 /nfs/dbraw/zinc/78/46/57/644784657.db2.gz RNUKOFMVILZBED-DTWKUNHWSA-N 1 0 299.758 2.123 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1 ZINC000857061141 644805449 /nfs/dbraw/zinc/80/54/49/644805449.db2.gz KPPBDYZPACLYJW-JSGCOSHPSA-N 1 0 279.380 2.241 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c(O)c1 ZINC000857060668 644805935 /nfs/dbraw/zinc/80/59/35/644805935.db2.gz DIFABNXPOYCYPV-TZMCWYRMSA-N 1 0 279.380 2.241 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CCCOCCO)c2c1c(F)ccc2O ZINC000757637681 644829618 /nfs/dbraw/zinc/82/96/18/644829618.db2.gz MHYVOTFSJPCASI-CMPLNLGQSA-N 1 0 283.343 2.068 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCOC[C@H]2OCC)c1O ZINC000759172222 644991570 /nfs/dbraw/zinc/99/15/70/644991570.db2.gz DRASEBJLHSPZQV-UKRRQHHQSA-N 1 0 295.379 2.075 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2OCC)c(O)c1 ZINC000759172288 644991678 /nfs/dbraw/zinc/99/16/78/644991678.db2.gz HLMKIUAHHDRULP-GDBMZVCRSA-N 1 0 295.379 2.075 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CCCn2ccnc2)cc1F ZINC000858086198 645055627 /nfs/dbraw/zinc/05/56/27/645055627.db2.gz DGCSOGYKEUZWMM-UHFFFAOYSA-N 1 0 294.349 2.407 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C[C@H]2CCCN2C)cc1F ZINC000858109751 645063076 /nfs/dbraw/zinc/06/30/76/645063076.db2.gz WPHVABWHNLDWAJ-GFCCVEGCSA-N 1 0 283.366 2.215 20 10 CECDRO C[C@@H](CNCc1cc(F)c(N(C)C)cc1F)[NH+](C)C ZINC000858127430 645069286 /nfs/dbraw/zinc/06/92/86/645069286.db2.gz FEIKCOXRDUZTPX-JTQLQIEISA-N 1 0 271.355 2.071 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H](C)O ZINC000858172407 645080238 /nfs/dbraw/zinc/08/02/38/645080238.db2.gz SYYYNJAFVHJIQW-TVQRCGJNSA-N 1 0 272.339 2.280 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2c(Cl)cnn2C)c1 ZINC000858238744 645095770 /nfs/dbraw/zinc/09/57/70/645095770.db2.gz CLQRWTDTWGXOMW-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000858245366 645097859 /nfs/dbraw/zinc/09/78/59/645097859.db2.gz RIIQMRSMCRMXIS-LBPRGKRZSA-N 1 0 293.367 2.122 20 10 CECDRO COc1ccc(N2CCC([NH2+]C[C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000858295060 645109739 /nfs/dbraw/zinc/10/97/39/645109739.db2.gz UJEMBQPVICMDFI-AKAXFMLLSA-N 1 0 290.407 2.025 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2ccc[nH]c2=O)c1 ZINC000858304386 645111711 /nfs/dbraw/zinc/11/17/11/645111711.db2.gz QJSBXLXFDVLFNV-UHFFFAOYSA-N 1 0 274.320 2.181 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000858470570 645171831 /nfs/dbraw/zinc/17/18/31/645171831.db2.gz IZKHQCSLEMVYMS-OLZOCXBDSA-N 1 0 273.332 2.231 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000858473492 645173209 /nfs/dbraw/zinc/17/32/09/645173209.db2.gz OTSCKBDMEWODIG-BXKDBHETSA-N 1 0 279.311 2.444 20 10 CECDRO O=C1[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CCN1C1CCC1 ZINC000858602582 645217907 /nfs/dbraw/zinc/21/79/07/645217907.db2.gz CTAJPFPKYVFTEU-KGLIPLIRSA-N 1 0 286.375 2.123 20 10 CECDRO C[C@@H]1C[NH+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 ZINC000126911559 650999651 /nfs/dbraw/zinc/99/96/51/650999651.db2.gz CZWFGCBTDCDYPQ-HUUCEWRRSA-N 1 0 290.407 2.132 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NCC(C)(C)C)c1 ZINC000859233956 645431993 /nfs/dbraw/zinc/43/19/93/645431993.db2.gz ZSVXSFNAEZKYKQ-NSHDSACASA-N 1 0 294.395 2.214 20 10 CECDRO CC[C@H]([NH2+][C@H](C)CC(N)=O)c1ccc(N(C)C)cc1 ZINC000763396985 645541791 /nfs/dbraw/zinc/54/17/91/645541791.db2.gz GQYVNCFJGOHHBO-RISCZKNCSA-N 1 0 263.385 2.057 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CCO)C2CCOCC2)cc1C ZINC000763467235 645548977 /nfs/dbraw/zinc/54/89/77/645548977.db2.gz QNDVUDVBNATNMV-INIZCTEOSA-N 1 0 293.407 2.276 20 10 CECDRO Cc1cccc(C[N@H+](C)CCCNC(=O)C2CCC2)c1O ZINC000763626845 645561912 /nfs/dbraw/zinc/56/19/12/645561912.db2.gz PFRSZPNWSFZCDZ-UHFFFAOYSA-N 1 0 290.407 2.439 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCC[S@@](C)=O)cc1 ZINC000116920070 645575386 /nfs/dbraw/zinc/57/53/86/645575386.db2.gz LQGVBZMICGMZLH-IBGZPJMESA-N 1 0 282.453 2.391 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000859925542 645654846 /nfs/dbraw/zinc/65/48/46/645654846.db2.gz NVYSHQGZEKJGEI-DOTOQJQBSA-N 1 0 274.408 2.347 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000765769582 645806889 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ZINC000775206166 646930352 /nfs/dbraw/zinc/93/03/52/646930352.db2.gz VQNICBVMGXCQQV-UHFFFAOYSA-N 1 0 285.771 2.019 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)C1([NH+](C)C)CCC1 ZINC000119941332 646949281 /nfs/dbraw/zinc/94/92/81/646949281.db2.gz MOPFMWSFRZMFRL-UHFFFAOYSA-N 1 0 289.423 2.162 20 10 CECDRO CC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Cl)ccc1O ZINC000775555133 646964773 /nfs/dbraw/zinc/96/47/73/646964773.db2.gz JSIPDESVBVVJEE-DZGCQCFKSA-N 1 0 298.814 2.153 20 10 CECDRO CC[C@@H]1CCN(C(=[NH2+])NCc2ccc(OC)cc2O)C1 ZINC000864464428 647018570 /nfs/dbraw/zinc/01/85/70/647018570.db2.gz COSINPHBMWEQQL-LLVKDONJSA-N 1 0 277.368 2.157 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H](OC)C(F)(F)F)c1 ZINC000776175151 647032131 /nfs/dbraw/zinc/03/21/31/647032131.db2.gz XBEUTTSMXVSWAF-NSHDSACASA-N 1 0 279.258 2.068 20 10 CECDRO COC(=O)CC1([NH2+]Cc2cc(C)ccc2O)CCC1 ZINC000777441111 647136921 /nfs/dbraw/zinc/13/69/21/647136921.db2.gz OUUDYBZBUBANCA-UHFFFAOYSA-N 1 0 263.337 2.276 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1O ZINC000777725561 647170181 /nfs/dbraw/zinc/17/01/81/647170181.db2.gz URGYJYUCXKWVKR-YNEHKIRRSA-N 1 0 297.420 2.399 20 10 CECDRO CC[N@@H+]1C[C@H](C)N(Cc2cc(F)ccc2O)C[C@H]1C ZINC000779018337 647282512 /nfs/dbraw/zinc/28/25/12/647282512.db2.gz FUKDTVGASGXGEA-NEPJUHHUSA-N 1 0 266.360 2.446 20 10 CECDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779011512 647282536 /nfs/dbraw/zinc/28/25/36/647282536.db2.gz FFYBVTHMWWIEMW-CQSZACIVSA-N 1 0 292.354 2.118 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@H](O)C(F)F)c(Cl)c1 ZINC000865687833 647423308 /nfs/dbraw/zinc/42/33/08/647423308.db2.gz LZDQSTCPVADUTD-JTQLQIEISA-N 1 0 279.714 2.460 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1F ZINC000865691705 647425595 /nfs/dbraw/zinc/42/55/95/647425595.db2.gz DSLLCPIQHMCJHY-AVVLXZEZSA-N 1 0 290.382 2.405 20 10 CECDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000780891919 647477361 /nfs/dbraw/zinc/47/73/61/647477361.db2.gz CNROCUNZDTVTPT-ZFWWWQNUSA-N 1 0 262.397 2.345 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccccc1O ZINC000783502608 647722586 /nfs/dbraw/zinc/72/25/86/647722586.db2.gz NRJXZCMQABJGEF-GFCCVEGCSA-N 1 0 295.346 2.219 20 10 CECDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccccc1O ZINC000783520000 647723707 /nfs/dbraw/zinc/72/37/07/647723707.db2.gz OFKYTAASNHPGRR-QWHCGFSZSA-N 1 0 275.348 2.487 20 10 CECDRO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccccc1O ZINC000783525760 647725484 /nfs/dbraw/zinc/72/54/84/647725484.db2.gz NVKQPUAZHSVFQA-NSHDSACASA-N 1 0 272.352 2.099 20 10 CECDRO COc1cccc(O)c1C[N@H+]1CCC[C@@H](OC)CC1 ZINC000783602132 647735282 /nfs/dbraw/zinc/73/52/82/647735282.db2.gz APJYNYVCFUYQKI-GFCCVEGCSA-N 1 0 265.353 2.402 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1O ZINC000866463643 647796117 /nfs/dbraw/zinc/79/61/17/647796117.db2.gz OPSFALXZODBGGS-UBJUHAIHSA-N 1 0 293.285 2.363 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1O ZINC000866497665 647807003 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C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccccc1O ZINC000872117920 649282863 /nfs/dbraw/zinc/28/28/63/649282863.db2.gz TUQPJSLQIUSUMP-NEPJUHHUSA-N 1 0 263.337 2.386 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)NCC)cc1C ZINC000873007853 649529638 /nfs/dbraw/zinc/52/96/38/649529638.db2.gz HTTWKRRCIMXOPG-ZDUSSCGKSA-N 1 0 278.396 2.398 20 10 CECDRO CCOc1cccc(CN[C@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230017 649601084 /nfs/dbraw/zinc/60/10/84/649601084.db2.gz KWGDYYVHESDAQA-ZBFHGGJFSA-N 1 0 276.380 2.165 20 10 CECDRO CN(C)c1ccc(CN[C@]23CCC[C@@H]2[NH2+]CC3)cc1F ZINC000873230055 649601150 /nfs/dbraw/zinc/60/11/50/649601150.db2.gz LPTXTRAYQKUUQJ-HOTGVXAUSA-N 1 0 277.387 2.266 20 10 CECDRO COc1cc(Cl)cc(CN[C@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230754 649602526 /nfs/dbraw/zinc/60/25/26/649602526.db2.gz XRMAKNAPTKPZFV-HIFRSBDPSA-N 1 0 296.798 2.428 20 10 CECDRO C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000127214026 651136499 /nfs/dbraw/zinc/13/64/99/651136499.db2.gz JZPYTDKGJSYDGW-CHWSQXEVSA-N 1 0 298.452 2.226 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1=CCCOC1 ZINC000127347909 651187704 /nfs/dbraw/zinc/18/77/04/651187704.db2.gz NZCIWLCVDLUIQU-UHFFFAOYSA-N 1 0 260.381 2.497 20 10 CECDRO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647632 651334932 /nfs/dbraw/zinc/33/49/32/651334932.db2.gz GPPZHYIPEOPTFW-LLVKDONJSA-N 1 0 264.369 2.348 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O)c1ccccc1O ZINC000879649665 651335439 /nfs/dbraw/zinc/33/54/39/651335439.db2.gz BIDHWXKDJJIONL-NZBPQXDJSA-N 1 0 288.391 2.490 20 10 CECDRO COC(=O)C1=C(C)O[C@H](C[NH2+][C@H](C)c2ccccc2O)C1 ZINC000879649014 651335441 /nfs/dbraw/zinc/33/54/41/651335441.db2.gz HLROBAHRULPZJD-PWSUYJOCSA-N 1 0 291.347 2.279 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC1CCCC1 ZINC000879651698 651336106 /nfs/dbraw/zinc/33/61/06/651336106.db2.gz HQTIRXZHCYGWGO-NWDGAFQWSA-N 1 0 276.380 2.490 20 10 CECDRO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000880437101 651440774 /nfs/dbraw/zinc/44/07/74/651440774.db2.gz GICWJXOPCQFURA-SJORKVTESA-N 1 0 292.423 2.297 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC3(CC2)COCCO3)cc1 ZINC000880546381 651458467 /nfs/dbraw/zinc/45/84/67/651458467.db2.gz NALXLJKREUMVJW-UHFFFAOYSA-N 1 0 290.407 2.134 20 10 CECDRO C[NH2+]Cc1cn(Cc2ccc(N3CCCCC3)c(C)c2)nn1 ZINC000881381494 651703345 /nfs/dbraw/zinc/70/33/45/651703345.db2.gz AXJKAASXMXFLMN-UHFFFAOYSA-N 1 0 299.422 2.345 20 10 CECDRO CC(C)=CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849459 651900299 /nfs/dbraw/zinc/90/02/99/651900299.db2.gz OEVFRGLUYMHMTH-UHFFFAOYSA-N 1 0 287.407 2.021 20 10 CECDRO COc1ccc(C[NH2+]CC[C@@H](C)[S@](C)=O)cc1C ZINC000129363249 651931504 /nfs/dbraw/zinc/93/15/04/651931504.db2.gz JPUGFMXMKOEVIX-KZULUSFZSA-N 1 0 269.410 2.250 20 10 CECDRO COC[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000131889964 652479172 /nfs/dbraw/zinc/47/91/72/652479172.db2.gz LWRDNYNVFKEPTM-STQMWFEESA-N 1 0 296.386 2.348 20 10 CECDRO CC[NH+](CC)CCCOC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000800186185 652678530 /nfs/dbraw/zinc/67/85/30/652678530.db2.gz ASKQACFICQZIKC-CLFYSBASSA-N 1 0 293.363 2.386 20 10 CECDRO Cc1ccc(O)c(CN2CC[NH+](CC(C)C)CC2)c1 ZINC000133836664 652729169 /nfs/dbraw/zinc/72/91/69/652729169.db2.gz BYYCSVQJFWNNAK-UHFFFAOYSA-N 1 0 262.397 2.474 20 10 CECDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000134463683 652842534 /nfs/dbraw/zinc/84/25/34/652842534.db2.gz PFHWOXNVUYABDB-QGZVFWFLSA-N 1 0 292.423 2.164 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)NC(C)(C)C ZINC000134493246 652847121 /nfs/dbraw/zinc/84/71/21/652847121.db2.gz GRSFMCOLGFAJJA-SECBINFHSA-N 1 0 284.787 2.438 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000134511610 652848765 /nfs/dbraw/zinc/84/87/65/652848765.db2.gz MNXFEWYLPJOICQ-CQSZACIVSA-N 1 0 289.423 2.101 20 10 CECDRO CCN(CC)c1ccc(CN2CC(C)([NH3+])C2)c(OC)c1 ZINC001204973054 805602801 /nfs/dbraw/zinc/60/28/01/805602801.db2.gz BNCVMGJUXWBCLX-UHFFFAOYSA-N 1 0 277.412 2.074 20 10 CECDRO CN(C)c1ccc(/C=C/C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)C3)cc1 ZINC001270930728 805692864 /nfs/dbraw/zinc/69/28/64/805692864.db2.gz CSJNBDIZLBCFBS-LYMUKDTJSA-N 1 0 299.418 2.071 20 10 CECDRO C[NH2+]C1CN(Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001204706276 806531803 /nfs/dbraw/zinc/53/18/03/806531803.db2.gz IWTUZWHPXJAHFH-UHFFFAOYSA-N 1 0 269.392 2.498 20 10 CECDRO COCC1([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000706863308 802846833 /nfs/dbraw/zinc/84/68/33/802846833.db2.gz CMARWWSEYKBVTK-UHFFFAOYSA-N 1 0 286.169 2.423 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c1 ZINC000690732070 803079105 /nfs/dbraw/zinc/07/91/05/803079105.db2.gz OKTCELUTNXOTAZ-NOZJJQNGSA-N 1 0 287.306 2.476 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001141156085 803758119 /nfs/dbraw/zinc/75/81/19/803758119.db2.gz DTYRSXAKUVHVPP-XHDPSFHLSA-N 1 0 263.337 2.099 20 10 CECDRO Oc1ccc(O)c(C[NH+]2CC3(C2)C[C@H](F)CS3)c1 ZINC001141160960 803761085 /nfs/dbraw/zinc/76/10/85/803761085.db2.gz KYMDZAUFICHGNA-JTQLQIEISA-N 1 0 269.341 2.127 20 10 CECDRO CO[C@H]1CC[N@H+](Cc2cc(O)ccc2O)[C@@H](C)C1 ZINC001141163295 803762730 /nfs/dbraw/zinc/76/27/30/803762730.db2.gz ZEUJPWCCUKBAHA-GWCFXTLKSA-N 1 0 251.326 2.097 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001118055569 814981562 /nfs/dbraw/zinc/98/15/62/814981562.db2.gz UOTHJSZJPQKALR-OAHLLOKOSA-N 1 0 263.337 2.156 20 10 CECDRO CCN1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1=O ZINC000722351313 804341451 /nfs/dbraw/zinc/34/14/51/804341451.db2.gz AXKFSXVRVWJJQH-LBPRGKRZSA-N 1 0 282.771 2.146 20 10 CECDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1=O ZINC000722360806 804381903 /nfs/dbraw/zinc/38/19/03/804381903.db2.gz BNXCRQFYVJAEPA-JSGCOSHPSA-N 1 0 276.380 2.362 20 10 CECDRO Oc1c(CN2CCC[NH2+]CC2)cccc1C(F)(F)F ZINC001204675098 804532472 /nfs/dbraw/zinc/53/24/72/804532472.db2.gz HCCLATMTZNDXIJ-UHFFFAOYSA-N 1 0 274.286 2.206 20 10 CECDRO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccccc1O ZINC000037142835 815026539 /nfs/dbraw/zinc/02/65/39/815026539.db2.gz ZWCGOLMGDDUGTR-GFCCVEGCSA-N 1 0 288.391 2.444 20 10 CECDRO COc1ccc(C[NH2+]Cc2[nH]nc(C)c2C)c(O)c1 ZINC000716446387 815124535 /nfs/dbraw/zinc/12/45/35/815124535.db2.gz JFWGLFXPOFWWGG-UHFFFAOYSA-N 1 0 261.325 2.031 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c([O-])c1Cl ZINC001205123934 807716786 /nfs/dbraw/zinc/71/67/86/807716786.db2.gz HNQORAFKXUJLEO-NSHDSACASA-N 1 0 284.787 2.367 20 10 CECDRO CCc1cccc(C[NH2+]CC[C@@H](O)C(F)F)c1O ZINC000716764804 815145332 /nfs/dbraw/zinc/14/53/32/815145332.db2.gz LCIONHICRRJQDV-LLVKDONJSA-N 1 0 259.296 2.060 20 10 CECDRO CC(C)(C)c1ccc(O)c(CN2C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236290265 808047705 /nfs/dbraw/zinc/04/77/05/808047705.db2.gz JLYIWYTWVUEVQX-TZMCWYRMSA-N 1 0 260.381 2.093 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CC(N2CCC(F)CC2)C1 ZINC001237488338 808220712 /nfs/dbraw/zinc/22/07/12/808220712.db2.gz SYTWXWGFAOVIBM-UHFFFAOYSA-N 1 0 278.371 2.319 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)C1(O)CCCC1)c1ccc(N(C)C)cc1 ZINC001120354848 815216655 /nfs/dbraw/zinc/21/66/55/815216655.db2.gz IQVIDGKSICKENS-CZUORRHYSA-N 1 0 292.423 2.069 20 10 CECDRO CC[NH+]1CCC(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000700782460 809348444 /nfs/dbraw/zinc/34/84/44/809348444.db2.gz NKUNAJCKBAJAKJ-UHFFFAOYSA-N 1 0 284.350 2.492 20 10 CECDRO CCn1ccnc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000700898700 809369906 /nfs/dbraw/zinc/36/99/06/809369906.db2.gz KVEVMRGUFKWXDR-UHFFFAOYSA-N 1 0 270.380 2.315 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CC[C@H]2SC)c(O)c1 ZINC000701992615 809483898 /nfs/dbraw/zinc/48/38/98/809483898.db2.gz KTWPPHKEGDEXSR-WCQYABFASA-N 1 0 253.367 2.384 20 10 CECDRO Cc1ccc2c(c1)CCCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000702448346 809558309 /nfs/dbraw/zinc/55/83/09/809558309.db2.gz NYQLHZBHKDALKH-AWEZNQCLSA-N 1 0 256.349 2.322 20 10 CECDRO C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703339925 809642765 /nfs/dbraw/zinc/64/27/65/809642765.db2.gz DXJDMOKWJUOGEV-LLVKDONJSA-N 1 0 284.350 2.492 20 10 CECDRO CC[N@@H+]1CCN(Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC000703488889 809652807 /nfs/dbraw/zinc/65/28/07/809652807.db2.gz BTUNLBKSNOAUGH-JTQLQIEISA-N 1 0 270.323 2.196 20 10 CECDRO C[C@H]([NH2+]CCOCCF)c1ccc(N(C)C)cc1 ZINC000705781263 809789615 /nfs/dbraw/zinc/78/96/15/809789615.db2.gz RZZLXHGSQBHMBM-LBPRGKRZSA-N 1 0 254.349 2.389 20 10 CECDRO CC[C@H](CO)[NH2+]Cc1c(O)cccc1Br ZINC000706829170 809855845 /nfs/dbraw/zinc/85/58/45/809855845.db2.gz OKOICPTYJSSILG-MRVPVSSYSA-N 1 0 274.158 2.015 20 10 CECDRO CC[C@@H]([NH2+]Cc1c(O)cccc1Br)[C@H](C)O ZINC000706831390 809856351 /nfs/dbraw/zinc/85/63/51/809856351.db2.gz CKAVPEPDDAPNOQ-GZMMTYOYSA-N 1 0 288.185 2.404 20 10 CECDRO C[N@@H+]1C[C@@H]2CN(Cc3cc(F)cc(F)c3[O-])C[C@]2(C)C1 ZINC000708381470 809928917 /nfs/dbraw/zinc/92/89/17/809928917.db2.gz BHXPJZBDCBRWAN-ABAIWWIYSA-N 1 0 282.334 2.054 20 10 CECDRO [NH3+][C@@H]1CCCCCN(Cc2cc(F)ccc2O)C1 ZINC000708996693 809939808 /nfs/dbraw/zinc/93/98/08/809939808.db2.gz ZTSDLASBRHPXCY-CYBMUJFWSA-N 1 0 252.333 2.235 20 10 CECDRO CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708559294 809945392 /nfs/dbraw/zinc/94/53/92/809945392.db2.gz ODOUXTNIOFZLGV-NSHDSACASA-N 1 0 284.350 2.490 20 10 CECDRO CCCC[N@H+](Cc1ccccc1O)[C@H](CC)C(N)=O ZINC000282379709 810756969 /nfs/dbraw/zinc/75/69/69/810756969.db2.gz FXBYTITVXWUXGO-CYBMUJFWSA-N 1 0 264.369 2.258 20 10 CECDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCCN(C(C)=O)C1 ZINC001169623917 811594014 /nfs/dbraw/zinc/59/40/14/811594014.db2.gz IMADGWMHYNBDDM-HNNXBMFYSA-N 1 0 276.380 2.225 20 10 CECDRO CCc1cccc(C[NH2+]CCN2CCSCC2)c1O ZINC000691452622 811857507 /nfs/dbraw/zinc/85/75/07/811857507.db2.gz LICMIBBENOISPB-UHFFFAOYSA-N 1 0 280.437 2.093 20 10 CECDRO c1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc2c1OCC2 ZINC000691452866 811858430 /nfs/dbraw/zinc/85/84/30/811858430.db2.gz UAVVIKSPFZQBCA-HOCLYGCPSA-N 1 0 259.349 2.279 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(C)=O)C2)cc1C ZINC001047655615 811886508 /nfs/dbraw/zinc/88/65/08/811886508.db2.gz AVYBKTVIAWWULQ-XJKSGUPXSA-N 1 0 290.407 2.350 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+]CCn1cccn1 ZINC000691476007 811906310 /nfs/dbraw/zinc/90/63/10/811906310.db2.gz GHHJLVLQBCTFFD-UHFFFAOYSA-N 1 0 296.168 2.141 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000770380074 811920545 /nfs/dbraw/zinc/92/05/45/811920545.db2.gz LJKHXJOSKWXAJB-RNCFNFMXSA-N 1 0 255.745 2.248 20 10 CECDRO CC[N@H+](Cc1ccccc1O)C1CCN(C(=O)OC)CC1 ZINC001172740927 815499237 /nfs/dbraw/zinc/49/92/37/815499237.db2.gz DBOUDNCLUSTFDF-UHFFFAOYSA-N 1 0 292.379 2.445 20 10 CECDRO C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)C[C@H]1[NH3+] ZINC001206053367 812472006 /nfs/dbraw/zinc/47/20/06/812472006.db2.gz SRJDPJXLRWLIJL-CZUORRHYSA-N 1 0 259.397 2.066 20 10 CECDRO CCC1(C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001133408833 813049141 /nfs/dbraw/zinc/04/91/41/813049141.db2.gz APNLGBFZUNBNQL-UHFFFAOYSA-N 1 0 290.407 2.400 20 10 CECDRO CN(Cc1ccccc1O)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000388445874 813238233 /nfs/dbraw/zinc/23/82/33/813238233.db2.gz VEZZKLLXKDJAGO-UHFFFAOYSA-N 1 0 296.370 2.310 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCN(C3CC3)C1)CC2 ZINC000389088049 813246845 /nfs/dbraw/zinc/24/68/45/813246845.db2.gz FYPYJFSWNCJGBK-GXTWGEPZSA-N 1 0 258.365 2.206 20 10 CECDRO Cc1nccn1CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000389076827 813247118 /nfs/dbraw/zinc/24/71/18/813247118.db2.gz ZGUXPZVQCRZTIO-CYBMUJFWSA-N 1 0 257.337 2.174 20 10 CECDRO COCC[C@@H](COC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000389172944 813247900 /nfs/dbraw/zinc/24/79/00/813247900.db2.gz LOCLEEBPWONXNI-QWHCGFSZSA-N 1 0 265.353 2.021 20 10 CECDRO Cc1ccc(C)n1-c1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)cc1 ZINC001170780277 813344043 /nfs/dbraw/zinc/34/40/43/813344043.db2.gz LXGDFLSUWVYAQF-WMLDXEAASA-N 1 0 285.391 2.086 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCNC(=O)CC2)cc1 ZINC000396704323 813580991 /nfs/dbraw/zinc/58/09/91/813580991.db2.gz KBFDDQXHCRLDCT-OAHLLOKOSA-N 1 0 289.423 2.291 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c1 ZINC000398118641 813657242 /nfs/dbraw/zinc/65/72/42/813657242.db2.gz ADXOPCLWVNDLCV-MFKMUULPSA-N 1 0 251.326 2.058 20 10 CECDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000398093072 813657272 /nfs/dbraw/zinc/65/72/72/813657272.db2.gz STZMSSKAQBVMHY-PBHICJAKSA-N 1 0 290.407 2.180 20 10 CECDRO Oc1cc(O)c(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001144500607 814091053 /nfs/dbraw/zinc/09/10/53/814091053.db2.gz WPGDUVMVCHQCTA-PHIMTYICSA-N 1 0 263.337 2.425 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(O)c1 ZINC001144508912 814096951 /nfs/dbraw/zinc/09/69/51/814096951.db2.gz DBRNZFUURUFCET-GFCCVEGCSA-N 1 0 271.263 2.035 20 10 CECDRO COC[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000234902586 814505697 /nfs/dbraw/zinc/50/56/97/814505697.db2.gz YNFRMOLLRRAKPX-DGCLKSJQSA-N 1 0 275.348 2.203 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1(CO)CC1 ZINC000696098792 814641132 /nfs/dbraw/zinc/64/11/32/814641132.db2.gz HKZMQIZSASRLOU-SECBINFHSA-N 1 0 255.745 2.296 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)/C=C\C2CC2)cc1C ZINC001125242794 815643444 /nfs/dbraw/zinc/64/34/44/815643444.db2.gz JHABPTTZJQVFOC-VURMDHGXSA-N 1 0 288.391 2.176 20 10 CECDRO C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CCC[C@H]1O ZINC001138123710 815731899 /nfs/dbraw/zinc/73/18/99/815731899.db2.gz ILYQKPFYZPBJSU-GXFFZTMASA-N 1 0 253.317 2.124 20 10 CECDRO CC[NH+]1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138354426 815772827 /nfs/dbraw/zinc/77/28/27/815772827.db2.gz JLMHAYBAIRQDJT-UHFFFAOYSA-N 1 0 273.424 2.207 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CC[C@H]4OCC[C@H]43)ccc21 ZINC001138355887 815774871 /nfs/dbraw/zinc/77/48/71/815774871.db2.gz XOBGEPAVDMRMOE-IAGOWNOFSA-N 1 0 272.392 2.432 20 10 CECDRO CCO[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138499194 815816829 /nfs/dbraw/zinc/81/68/29/815816829.db2.gz CHKAOZYJLHZKKO-QGZVFWFLSA-N 1 0 290.407 2.134 20 10 CECDRO CC(=O)Nc1ccc(O)c(Nc2cc[nH+]cc2C)c1 ZINC001174538818 816027331 /nfs/dbraw/zinc/02/73/31/816027331.db2.gz RZBBAVHIPJNEOL-UHFFFAOYSA-N 1 0 257.293 2.220 20 10 CECDRO CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC001140055122 816179420 /nfs/dbraw/zinc/17/94/20/816179420.db2.gz JZTRCTBNFUCMCB-AWEZNQCLSA-N 1 0 294.370 2.412 20 10 CECDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2c(C)ccc(C)c2O)C1 ZINC001140185367 816206851 /nfs/dbraw/zinc/20/68/51/816206851.db2.gz UDEIBXBLGPLRCH-OAHLLOKOSA-N 1 0 290.407 2.452 20 10 CECDRO OC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140460997 816258884 /nfs/dbraw/zinc/25/88/84/816258884.db2.gz ATNNOLPXIHJRKJ-GFCCVEGCSA-N 1 0 255.745 2.392 20 10 CECDRO CC1(C(N)=O)CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140467205 816262363 /nfs/dbraw/zinc/26/23/63/816262363.db2.gz PTMGXSAGSYEOQX-UHFFFAOYSA-N 1 0 282.771 2.133 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC3(CC(=O)CO3)CC2)c1 ZINC001140619608 816304121 /nfs/dbraw/zinc/30/41/21/816304121.db2.gz ITFLURWDTLTIBV-UHFFFAOYSA-N 1 0 275.348 2.025 20 10 CECDRO CC[N@H+](CCCC(=O)OC)Cc1cc(C)ccc1O ZINC001140617461 816304623 /nfs/dbraw/zinc/30/46/23/816304623.db2.gz PLMYLERDKPAQDA-UHFFFAOYSA-N 1 0 265.353 2.476 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1 ZINC001140619380 816305300 /nfs/dbraw/zinc/30/53/00/816305300.db2.gz BYJDQQROWIQDHF-YPMHNXCESA-N 1 0 269.291 2.167 20 10 CECDRO COC(=O)CC[N@H+](Cc1cc(C)ccc1O)C1CC1 ZINC001140623792 816306501 /nfs/dbraw/zinc/30/65/01/816306501.db2.gz RXFMYSQFOGBPCJ-UHFFFAOYSA-N 1 0 263.337 2.228 20 10 CECDRO CCCO[C@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140745346 816340401 /nfs/dbraw/zinc/34/04/01/816340401.db2.gz GNLCUVPCVTYKLP-ZDUSSCGKSA-N 1 0 265.353 2.407 20 10 CECDRO CCO[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140747946 816340414 /nfs/dbraw/zinc/34/04/14/816340414.db2.gz OSDOUKKPBMJXOS-GFCCVEGCSA-N 1 0 251.326 2.017 20 10 CECDRO Cc1cc(N(CCO)c2ccc(N)cc2)cc(C)[nH+]1 ZINC001176052743 816340866 /nfs/dbraw/zinc/34/08/66/816340866.db2.gz UFPDJHDHTJJSNO-UHFFFAOYSA-N 1 0 257.337 2.411 20 10 CECDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749013 816342847 /nfs/dbraw/zinc/34/28/47/816342847.db2.gz OHJWJYUOKQNXJV-GFCCVEGCSA-N 1 0 293.363 2.181 20 10 CECDRO CCN(CC)c1ccc(C[NH+]2CC(C)(OC)C2)c(O)c1 ZINC001140850729 816382838 /nfs/dbraw/zinc/38/28/38/816382838.db2.gz RVRIPXSIYZKFLQ-UHFFFAOYSA-N 1 0 278.396 2.459 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140922439 816410661 /nfs/dbraw/zinc/41/06/61/816410661.db2.gz QVJWFKIWHRWUPH-GFCCVEGCSA-N 1 0 296.798 2.401 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ncncc3C)C2)c(O)c1 ZINC001140954271 816424333 /nfs/dbraw/zinc/42/43/33/816424333.db2.gz OHFXNRSBHYGRQI-OAHLLOKOSA-N 1 0 299.374 2.452 20 10 CECDRO c1c(C[NH+]2CC(C3COC3)C2)cc2c3c1CCCN3CCC2 ZINC001141074479 816468723 /nfs/dbraw/zinc/46/87/23/816468723.db2.gz JIJDODAGKPUSHV-UHFFFAOYSA-N 1 0 298.430 2.464 20 10 CECDRO c1c(CN2CC[N@@H+]3CC[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001141078803 816471372 /nfs/dbraw/zinc/47/13/72/816471372.db2.gz JSIIAWVEOACGIY-SFHVURJKSA-N 1 0 297.446 2.275 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CC[C@@]4(CCCO4)C3)ccc21 ZINC001141141036 816485825 /nfs/dbraw/zinc/48/58/25/816485825.db2.gz SKARUEWOKKOPMZ-KRWDZBQOSA-N 1 0 288.391 2.270 20 10 CECDRO CN1CCOc2cc(CN3CCC[C@H]3C[NH+](C)C)ccc21 ZINC001141143767 816486012 /nfs/dbraw/zinc/48/60/12/816486012.db2.gz JOEABCOVALTBQZ-HNNXBMFYSA-N 1 0 289.423 2.041 20 10 CECDRO C[C@]1(CO)CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001141156279 816490240 /nfs/dbraw/zinc/49/02/40/816490240.db2.gz IVYRCOCEHNXPFR-HNNXBMFYSA-N 1 0 265.353 2.082 20 10 CECDRO C[N@H+](CCc1ccncc1)Cc1cc(O)ccc1O ZINC001141158586 816490865 /nfs/dbraw/zinc/49/08/65/816490865.db2.gz FUDBCXZEAHFUAN-UHFFFAOYSA-N 1 0 258.321 2.167 20 10 CECDRO CN(CCC[NH+]1CCCC1)Cc1cc(O)ccc1O ZINC001141158700 816490906 /nfs/dbraw/zinc/49/09/06/816490906.db2.gz KLKLTDLDVJQQNI-UHFFFAOYSA-N 1 0 264.369 2.016 20 10 CECDRO CCN(CC[NH+]1CCCC1)Cc1cc(O)ccc1O ZINC001141160410 816491667 /nfs/dbraw/zinc/49/16/67/816491667.db2.gz XQJLVMNSDOFUCZ-UHFFFAOYSA-N 1 0 264.369 2.016 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c1 ZINC001141160598 816492281 /nfs/dbraw/zinc/49/22/81/816492281.db2.gz FNFKNOMFQMXSEU-ZDUSSCGKSA-N 1 0 285.290 2.098 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CCCO1 ZINC001142508831 816676838 /nfs/dbraw/zinc/67/68/38/816676838.db2.gz NCFCVVATAHHWAZ-VIFPVBQESA-N 1 0 257.280 2.281 20 10 CECDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(F)c(F)cc2O)C1 ZINC001142531032 816681101 /nfs/dbraw/zinc/68/11/01/816681101.db2.gz NZQARRBUYGYHKV-LBPRGKRZSA-N 1 0 282.334 2.339 20 10 CECDRO CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143112030 816786869 /nfs/dbraw/zinc/78/68/69/816786869.db2.gz IZQFAEFJHDUDQA-AWEZNQCLSA-N 1 0 290.407 2.400 20 10 CECDRO C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000007354333 343359064 /nfs/dbraw/zinc/35/90/64/343359064.db2.gz SHEFDQSGJSGPIE-CQSZACIVSA-N 1 0 289.423 2.243 20 10 CECDRO COc1ccc(N2CC[NH+](CCC(C)(C)O)CC2)cc1F ZINC000084866346 344091790 /nfs/dbraw/zinc/09/17/90/344091790.db2.gz ZMAKWSHUEAGBTQ-UHFFFAOYSA-N 1 0 296.386 2.117 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)OCO2 ZINC000284025510 344677729 /nfs/dbraw/zinc/67/77/29/344677729.db2.gz IFRGIFZBKWDIBU-GXTWGEPZSA-N 1 0 291.347 2.264 20 10 CECDRO CC[NH+](CC)CC(=O)NCc1c(C)c2ccccc2n1C ZINC000337553435 366163032 /nfs/dbraw/zinc/16/30/32/366163032.db2.gz HWBFUIFNGSNILW-UHFFFAOYSA-N 1 0 287.407 2.445 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000077204366 363546171 /nfs/dbraw/zinc/54/61/71/363546171.db2.gz XJVRFIPPMPHEIT-GOEBONIOSA-N 1 0 262.397 2.393 20 10 CECDRO OC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000154597549 366780731 /nfs/dbraw/zinc/78/07/31/366780731.db2.gz ADIQKCAZCFJNSG-SNVBAGLBSA-N 1 0 255.745 2.250 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237168226 370696287 /nfs/dbraw/zinc/69/62/87/370696287.db2.gz KVLFQISLWDVHBA-MRXNPFEDSA-N 1 0 296.370 2.065 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC)cc1 ZINC000092100014 364074648 /nfs/dbraw/zinc/07/46/48/364074648.db2.gz RBTAHGIOUGPBHE-MRXNPFEDSA-N 1 0 289.423 2.243 20 10 CECDRO Cc1nc2n(n1)C[C@@H]([NH2+]Cc1c(O)cccc1Cl)CC2 ZINC000113333716 364889571 /nfs/dbraw/zinc/88/95/71/364889571.db2.gz VBTALGYRWRSELE-JTQLQIEISA-N 1 0 292.770 2.050 20 10 CECDRO C[C@]1(O)CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000180183244 368371922 /nfs/dbraw/zinc/37/19/22/368371922.db2.gz CXUNEILEADBXNA-LBPRGKRZSA-N 1 0 286.169 2.111 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1O ZINC000180014439 368363447 /nfs/dbraw/zinc/36/34/47/368363447.db2.gz HOBVENBPDNTZPG-AWEZNQCLSA-N 1 0 277.364 2.286 20 10 CECDRO CC(C)(C)OC(=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000180790180 368396389 /nfs/dbraw/zinc/39/63/89/368396389.db2.gz CKFFWEPYWGSGDT-UHFFFAOYSA-N 1 0 269.316 2.353 20 10 CECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180567385 368385998 /nfs/dbraw/zinc/38/59/98/368385998.db2.gz HIWAFVUKBFARNF-HNNXBMFYSA-N 1 0 263.337 2.086 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000187761275 369217814 /nfs/dbraw/zinc/21/78/14/369217814.db2.gz HXFPLFGTRYUNIV-VHSXEESVSA-N 1 0 298.333 2.332 20 10 CECDRO COC(=O)C1(C[NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000188678761 369393914 /nfs/dbraw/zinc/39/39/14/369393914.db2.gz HGNUGBORLFNABI-UHFFFAOYSA-N 1 0 263.337 2.052 20 10 CECDRO CC[N@@H+](Cc1cc(C)ccc1O)C[C@H](O)C(F)(F)F ZINC000189880866 369575033 /nfs/dbraw/zinc/57/50/33/369575033.db2.gz NFBDIZHDAOYGSU-LBPRGKRZSA-N 1 0 277.286 2.446 20 10 CECDRO CSc1ccc(N(C)C(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000637984073 370216791 /nfs/dbraw/zinc/21/67/91/370216791.db2.gz ARLMIDGLJUCTFU-LLVKDONJSA-N 1 0 262.378 2.419 20 10 CECDRO CC1(C)CN(C(=O)C2=CC[C@@H]([NH3+])C2)c2cc(F)ccc21 ZINC000638384927 370489239 /nfs/dbraw/zinc/48/92/39/370489239.db2.gz FIYVRIPKXIUBFI-GFCCVEGCSA-N 1 0 274.339 2.497 20 10 CECDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)ccc1O)CC2 ZINC000271160628 373152215 /nfs/dbraw/zinc/15/22/15/373152215.db2.gz DBAYGBRXJCBZLA-CQSZACIVSA-N 1 0 289.375 2.476 20 10 CECDRO CC(C)N1C[C@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000271554018 373195668 /nfs/dbraw/zinc/19/56/68/373195668.db2.gz WLEHMXLDYZPZQK-UKRRQHHQSA-N 1 0 289.423 2.413 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000271874062 373203115 /nfs/dbraw/zinc/20/31/15/373203115.db2.gz YSSXWWJJDLESEH-AWEZNQCLSA-N 1 0 293.363 2.176 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2nc(C)no2)c1 ZINC000271854020 373203784 /nfs/dbraw/zinc/20/37/84/373203784.db2.gz RYVTVDMWHDDTNG-SNVBAGLBSA-N 1 0 291.351 2.376 20 10 CECDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000272211244 373361617 /nfs/dbraw/zinc/36/16/17/373361617.db2.gz AHKRPNYHTLUJMN-ZDUSSCGKSA-N 1 0 250.386 2.393 20 10 CECDRO C[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2O)CCO1 ZINC000272653089 373601983 /nfs/dbraw/zinc/60/19/83/373601983.db2.gz QDKXUGQSFOVANK-WDEREUQCSA-N 1 0 253.317 2.436 20 10 CECDRO COc1ccc(O)c(C[NH+]2CCC(CCCO)CC2)c1 ZINC000272988297 373741421 /nfs/dbraw/zinc/74/14/21/373741421.db2.gz WKBGRGZQZVHZNL-UHFFFAOYSA-N 1 0 279.380 2.385 20 10 CECDRO C[C@@H]([NH2+]CCCn1ccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273298355 373751835 /nfs/dbraw/zinc/75/18/35/373751835.db2.gz AQEKASMIVSVIOE-LLVKDONJSA-N 1 0 290.323 2.238 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(C)cc2O)n1 ZINC000273418517 373755344 /nfs/dbraw/zinc/75/53/44/373755344.db2.gz IWXXNCWHIFOZKU-SNVBAGLBSA-N 1 0 260.341 2.020 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c(O)c1C ZINC000273418186 373755740 /nfs/dbraw/zinc/75/57/40/373755740.db2.gz RLJHUVCDEZGGNN-GJZGRUSLSA-N 1 0 292.423 2.116 20 10 CECDRO CC[C@@H](COC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273553345 373765382 /nfs/dbraw/zinc/76/53/82/373765382.db2.gz GJGVLHOXIAFZAH-JQWIXIFHSA-N 1 0 281.352 2.254 20 10 CECDRO Oc1cccc(Cl)c1CN1CCO[C@@]2(CCOC2)C1 ZINC000274416722 373913197 /nfs/dbraw/zinc/91/31/97/373913197.db2.gz KHIAVCIXDUVKGN-AWEZNQCLSA-N 1 0 283.755 2.037 20 10 CECDRO Cc1cccc(C[N@H+]2CC[C@H]3CCN(C)[C@@H]3C2)c1O ZINC000371554989 373919411 /nfs/dbraw/zinc/91/94/11/373919411.db2.gz RWUYQOXBVNBOCM-UKRRQHHQSA-N 1 0 260.381 2.227 20 10 CECDRO COc1cccc(C[NH2+]C2CC(OC(C)C)C2)c1O ZINC000274619399 373986988 /nfs/dbraw/zinc/98/69/88/373986988.db2.gz VZCKFTXMZABKIU-UHFFFAOYSA-N 1 0 265.353 2.446 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000374546551 374595383 /nfs/dbraw/zinc/59/53/83/374595383.db2.gz VTJLFMSFOXDZCQ-GFCCVEGCSA-N 1 0 277.755 2.416 20 10 CECDRO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cccc(C)c1O ZINC000281315654 375371173 /nfs/dbraw/zinc/37/11/73/375371173.db2.gz QTOKFYSFBPLGSD-GFCCVEGCSA-N 1 0 265.353 2.474 20 10 CECDRO CCCC[N@H+](CC(=O)N(C)CC)Cc1ccccc1O ZINC000282549022 375514297 /nfs/dbraw/zinc/51/42/97/375514297.db2.gz WXUPRANLTDHQRO-UHFFFAOYSA-N 1 0 278.396 2.473 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CCOCCO)cc1F ZINC000282700964 375553882 /nfs/dbraw/zinc/55/38/82/375553882.db2.gz JVUUQYLRUTWUOU-UHFFFAOYSA-N 1 0 298.402 2.113 20 10 CECDRO COC(=O)[C@]1(C)C[N@H+](Cc2ccccc2O)C[C@H]1C ZINC000282750617 375565422 /nfs/dbraw/zinc/56/54/22/375565422.db2.gz OBUDPJSUPKIBEY-IAQYHMDHSA-N 1 0 263.337 2.023 20 10 CECDRO C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1ccccc1O ZINC000284404822 375827281 /nfs/dbraw/zinc/82/72/81/375827281.db2.gz PYWXULUBIKXCAW-SLEUVZQESA-N 1 0 281.396 2.201 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2c(C)cc(C)cc2O)n1 ZINC000285318667 375837414 /nfs/dbraw/zinc/83/74/14/375837414.db2.gz SWYKZULYURUOFL-LLVKDONJSA-N 1 0 274.368 2.329 20 10 CECDRO CC[C@H]([NH2+]CCc1nc(C)n[nH]1)c1ccc(F)cc1[O-] ZINC000286035338 375848029 /nfs/dbraw/zinc/84/80/29/375848029.db2.gz JLIPEEBQLGDOJL-LBPRGKRZSA-N 1 0 278.331 2.241 20 10 CECDRO COc1ccc(O)c(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000293534007 377613851 /nfs/dbraw/zinc/61/38/51/377613851.db2.gz CDBBWWLUNQZUNB-UHFFFAOYSA-N 1 0 293.363 2.130 20 10 CECDRO CNC(=O)C1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293553415 377626419 /nfs/dbraw/zinc/62/64/19/377626419.db2.gz RICUWGPGDCZNEZ-UHFFFAOYSA-N 1 0 289.423 2.019 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294625469 378001484 /nfs/dbraw/zinc/00/14/84/378001484.db2.gz JJTMHQGWTZBJIM-QMMMGPOBSA-N 1 0 288.750 2.141 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@@H](O)C(F)F ZINC000294927509 378030232 /nfs/dbraw/zinc/03/02/32/378030232.db2.gz BKGVJIQGWKBTEF-LJUAHTATSA-N 1 0 289.322 2.456 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](SC)C2)cc1OC ZINC000295132817 378043464 /nfs/dbraw/zinc/04/34/64/378043464.db2.gz YJKFLPNHJYYJHY-LLVKDONJSA-N 1 0 283.393 2.347 20 10 CECDRO C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCOC1 ZINC000295228527 378061066 /nfs/dbraw/zinc/06/10/66/378061066.db2.gz CPLYNSMKOGYGJI-SECBINFHSA-N 1 0 259.708 2.405 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)c(=O)n1C ZINC000296518789 378560349 /nfs/dbraw/zinc/56/03/49/378560349.db2.gz QUWMQGQIPQNGEP-AWEZNQCLSA-N 1 0 284.359 2.176 20 10 CECDRO COc1ccc(O)c([C@@H](C)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000530214225 380197410 /nfs/dbraw/zinc/19/74/10/380197410.db2.gz CKXUUNZAUCCEMF-ABAIWWIYSA-N 1 0 276.380 2.336 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]Cc1nnc3n1CCCCC3)CC2 ZINC000296081228 285397583 /nfs/dbraw/zinc/39/75/83/285397583.db2.gz SPWWJESOMPBRQT-CYBMUJFWSA-N 1 0 298.390 2.487 20 10 CECDRO CC(=O)NCC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000224467435 394465880 /nfs/dbraw/zinc/46/58/80/394465880.db2.gz RZDGCQJUHIZIDV-UHFFFAOYSA-N 1 0 276.380 2.049 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000093813396 394668616 /nfs/dbraw/zinc/66/86/16/394668616.db2.gz ZLLUQUQUHACEAD-MRXNPFEDSA-N 1 0 276.380 2.138 20 10 CECDRO CCCOc1ccc(C[N@H+](C)CCCC(=O)NC)c(O)c1 ZINC000093717992 394669309 /nfs/dbraw/zinc/66/93/09/394669309.db2.gz UAFURXZCQMLLTO-UHFFFAOYSA-N 1 0 294.395 2.139 20 10 CECDRO CCOC(=O)CCC[N@H+](C)Cc1ccccc1O ZINC000109771129 394734923 /nfs/dbraw/zinc/73/49/23/394734923.db2.gz FXZZTVULYJWXSD-UHFFFAOYSA-N 1 0 251.326 2.167 20 10 CECDRO CC[C@H]1C(=O)NCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000106855449 394725778 /nfs/dbraw/zinc/72/57/78/394725778.db2.gz GACDJKGFAQPAQS-HNNXBMFYSA-N 1 0 284.359 2.256 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1O ZINC000121940190 394806505 /nfs/dbraw/zinc/80/65/05/394806505.db2.gz APXWNDPNLGESII-MWLCHTKSSA-N 1 0 263.259 2.356 20 10 CECDRO CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccccc1O ZINC000121939675 394806610 /nfs/dbraw/zinc/80/66/10/394806610.db2.gz APXWNDPNLGESII-ONGXEEELSA-N 1 0 263.259 2.356 20 10 CECDRO Oc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000134226649 394957313 /nfs/dbraw/zinc/95/73/13/394957313.db2.gz OHMAGAPPLDYYQP-UHFFFAOYSA-N 1 0 263.337 2.168 20 10 CECDRO COCC1(C[NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000282427519 394919236 /nfs/dbraw/zinc/91/92/36/394919236.db2.gz IXSVSTUSIFFFGW-UHFFFAOYSA-N 1 0 253.317 2.438 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCOC2)c1 ZINC000132168204 394926226 /nfs/dbraw/zinc/92/62/26/394926226.db2.gz ICTHQMHHFWZQNY-LBPRGKRZSA-N 1 0 251.326 2.012 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)cc1C ZINC000134490712 394957893 /nfs/dbraw/zinc/95/78/93/394957893.db2.gz UMFKFBDTHQMCSN-ZDUSSCGKSA-N 1 0 276.380 2.104 20 10 CECDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N1CCCC1 ZINC000136421251 394970461 /nfs/dbraw/zinc/97/04/61/394970461.db2.gz LWWFFURTCGFQTQ-RYUDHWBXSA-N 1 0 262.353 2.054 20 10 CECDRO COC(=O)[C@@H](C)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372798864 395047542 /nfs/dbraw/zinc/04/75/42/395047542.db2.gz GNOSYMPCCFFREF-GFCCVEGCSA-N 1 0 274.364 2.013 20 10 CECDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1)N1CCCC1 ZINC000373864331 395067145 /nfs/dbraw/zinc/06/71/45/395067145.db2.gz CMLZHWHDSVUXQQ-HIFRSBDPSA-N 1 0 288.391 2.273 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1 ZINC000372756986 395045881 /nfs/dbraw/zinc/04/58/81/395045881.db2.gz ICHRQMRYFAFHJI-HUUCEWRRSA-N 1 0 289.375 2.271 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000182346012 395240412 /nfs/dbraw/zinc/24/04/12/395240412.db2.gz KYDMPVGVCOTKHC-LBPRGKRZSA-N 1 0 292.379 2.064 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCc2cnn(C)c2)c1 ZINC000182372210 395240581 /nfs/dbraw/zinc/24/05/81/395240581.db2.gz NZVMPQUDMHMMTC-LBPRGKRZSA-N 1 0 289.379 2.418 20 10 CECDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000179560768 395195491 /nfs/dbraw/zinc/19/54/91/395195491.db2.gz RRVNNBMKZFSZFA-HIFRSBDPSA-N 1 0 297.420 2.180 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)cc1OC ZINC000293828766 395252052 /nfs/dbraw/zinc/25/20/52/395252052.db2.gz AMQGYGXFXQGBIQ-ZBEGNZNMSA-N 1 0 295.379 2.050 20 10 CECDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000188468427 395316286 /nfs/dbraw/zinc/31/62/86/395316286.db2.gz QZSUNYCROYJZSP-NWDGAFQWSA-N 1 0 264.369 2.218 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cn2cccn2)c1 ZINC000037155345 286338857 /nfs/dbraw/zinc/33/88/57/286338857.db2.gz PYSBDYJKCMVGAY-VXGBXAGGSA-N 1 0 275.352 2.337 20 10 CECDRO COc1ccc(N(C)C(=O)c2cccc3c2CC[NH2+]C3)cn1 ZINC000662897863 414795900 /nfs/dbraw/zinc/79/59/00/414795900.db2.gz PVVPQDIWVLBHKD-UHFFFAOYSA-N 1 0 297.358 2.013 20 10 CECDRO CC[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccccc1O ZINC000154982350 261096817 /nfs/dbraw/zinc/09/68/17/261096817.db2.gz MYFVIRLMQYLYCW-ZDUSSCGKSA-N 1 0 288.347 2.456 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c(O)c1 ZINC000367603202 261304018 /nfs/dbraw/zinc/30/40/18/261304018.db2.gz KVKBPYSJEZBSSM-QKDCVEJESA-N 1 0 277.364 2.163 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CSCCS2)c1 ZINC000164753375 261358670 /nfs/dbraw/zinc/35/86/70/261358670.db2.gz OASACGZICDSUQA-GFCCVEGCSA-N 1 0 285.434 2.339 20 10 CECDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(C)ccc1O)CC2 ZINC000185317405 262050626 /nfs/dbraw/zinc/05/06/26/262050626.db2.gz MEVRBKFAIOPGEU-YPMHNXCESA-N 1 0 286.379 2.266 20 10 CECDRO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(F)ccc1O ZINC000186092150 262079321 /nfs/dbraw/zinc/07/93/21/262079321.db2.gz SHOXPDOYLSMGAL-NSHDSACASA-N 1 0 294.370 2.488 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000186223926 262312326 /nfs/dbraw/zinc/31/23/26/262312326.db2.gz SNCDZJGLPFMPCF-NSHDSACASA-N 1 0 264.369 2.123 20 10 CECDRO CC[NH+](CC)CCSCC(=O)NCc1ccccc1O ZINC000269104085 262965780 /nfs/dbraw/zinc/96/57/80/262965780.db2.gz ABFSYDHHMDFKMN-UHFFFAOYSA-N 1 0 296.436 2.083 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2snnc2C)c1 ZINC000291686290 263124747 /nfs/dbraw/zinc/12/47/47/263124747.db2.gz ILICAXHQJWDLMD-UHFFFAOYSA-N 1 0 279.365 2.241 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)CC12CCC2 ZINC000369650283 267257035 /nfs/dbraw/zinc/25/70/35/267257035.db2.gz UOLCZBSHKCFBEC-ZDUSSCGKSA-N 1 0 275.348 2.167 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]3COC[C@H]32)c1O ZINC000370233904 267300967 /nfs/dbraw/zinc/30/09/67/267300967.db2.gz UFRKLISJUARWTF-XHDPSFHLSA-N 1 0 293.338 2.345 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000371331694 267392129 /nfs/dbraw/zinc/39/21/29/267392129.db2.gz JYXOWFUVWKOBSJ-LBPRGKRZSA-N 1 0 272.352 2.198 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cc1C ZINC000377272319 268063285 /nfs/dbraw/zinc/06/32/85/268063285.db2.gz BLQAYBTWSHZDKF-RHSMWYFYSA-N 1 0 291.391 2.389 20 10 CECDRO C[C@@H](CO)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279536896 278287943 /nfs/dbraw/zinc/28/79/43/278287943.db2.gz AAXBBEUMWGNQTM-SNVBAGLBSA-N 1 0 290.329 2.489 20 10 CECDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296666484 279271429 /nfs/dbraw/zinc/27/14/29/279271429.db2.gz FPJAABBICDOWBD-GDAOTKPNSA-N 1 0 267.394 2.126 20 10 CECDRO CCOc1cccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1O ZINC000527765043 313200327 /nfs/dbraw/zinc/20/03/27/313200327.db2.gz IDQHSGPWNDGDKU-WBMJQRKESA-N 1 0 277.364 2.448 20 10 CECDRO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(F)ccc1O ZINC000185831144 327846870 /nfs/dbraw/zinc/84/68/70/327846870.db2.gz YQPQYKJILNBUSH-JFGNBEQYSA-N 1 0 251.301 2.119 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@](C)(O)c2ccsc2)c1 ZINC000271857660 328198063 /nfs/dbraw/zinc/19/80/63/328198063.db2.gz VDTIYXSMSBJTCP-HNNXBMFYSA-N 1 0 293.388 2.460 20 10 CECDRO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccccc2O)CC1=O ZINC000272910654 328201554 /nfs/dbraw/zinc/20/15/54/328201554.db2.gz WNMXMAYFZNAJBN-NWDGAFQWSA-N 1 0 262.353 2.052 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2([S@@](C)=O)CCC2)cc1C ZINC000280739178 328236204 /nfs/dbraw/zinc/23/62/04/328236204.db2.gz WPTNBAFHEIGQFC-LJQANCHMSA-N 1 0 281.421 2.400 20 10 CECDRO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)CC1=O ZINC000361388545 328922690 /nfs/dbraw/zinc/92/26/90/328922690.db2.gz FQPPOPGMNJMXEQ-JIMOISOXSA-N 1 0 294.782 2.145 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1C ZINC000377702059 329025557 /nfs/dbraw/zinc/02/55/57/329025557.db2.gz UAMHVTWTYRPWEO-RDJZCZTQSA-N 1 0 291.391 2.389 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCCNC2=O)c1O ZINC000378439508 329050532 /nfs/dbraw/zinc/05/05/32/329050532.db2.gz QMUMXFKZXQKEMX-ZDUSSCGKSA-N 1 0 296.798 2.455 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C2CCN(C)CC2)c1O ZINC000228669903 329059001 /nfs/dbraw/zinc/05/90/01/329059001.db2.gz RZFJCTHOQDNBLO-UHFFFAOYSA-N 1 0 284.787 2.238 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000224554557 329244693 /nfs/dbraw/zinc/24/46/93/329244693.db2.gz LXOLDDONLULRQL-QMMMGPOBSA-N 1 0 269.650 2.058 20 10 CECDRO CCn1nncc1C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000527917233 330295237 /nfs/dbraw/zinc/29/52/37/330295237.db2.gz RXKWUEBQHBYBIP-GFCCVEGCSA-N 1 0 274.368 2.471 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1O ZINC000167857896 331308453 /nfs/dbraw/zinc/30/84/53/331308453.db2.gz GBQVITFSKDDJOC-GXSJLCMTSA-N 1 0 297.782 2.451 20 10 CECDRO Cc1c2ccccc2n(C)c1CNC(=O)/C=C/C[NH+](C)C ZINC000491967583 332377576 /nfs/dbraw/zinc/37/75/76/332377576.db2.gz YEMFCJUYTRPALH-JXMROGBWSA-N 1 0 285.391 2.221 20 10 CECDRO CC[C@@H](C)N(C)CC[NH2+]Cc1cc(OC)ccc1O ZINC000224699013 333224401 /nfs/dbraw/zinc/22/44/01/333224401.db2.gz ZQKHEVDZTKWZJS-GFCCVEGCSA-N 1 0 266.385 2.221 20 10 CECDRO C[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)c1nccs1 ZINC000230694806 333321079 /nfs/dbraw/zinc/32/10/79/333321079.db2.gz YGBHYAOVQLVSHM-VIFPVBQESA-N 1 0 292.360 2.471 20 10 CECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCOCC1 ZINC000134496388 334092143 /nfs/dbraw/zinc/09/21/43/334092143.db2.gz WJOLQRCWTJZLBY-SNVBAGLBSA-N 1 0 279.336 2.026 20 10 CECDRO C[C@@H]([NH2+]CCCO)c1cc(Br)ccc1O ZINC000134903688 334107638 /nfs/dbraw/zinc/10/76/38/334107638.db2.gz XTWPUYIDDDCEKJ-MRVPVSSYSA-N 1 0 274.158 2.188 20 10 CECDRO CCCOc1ccc(C[N@H+](C)CCOCCOC)c(O)c1 ZINC000290073298 520345610 /nfs/dbraw/zinc/34/56/10/520345610.db2.gz FXOISFFSSANYQA-UHFFFAOYSA-N 1 0 297.395 2.276 20 10 CECDRO CCCOc1ccc(CN2CC[NH+]3CCC2CC3)c(O)c1 ZINC000368045278 520349962 /nfs/dbraw/zinc/34/99/62/520349962.db2.gz VJEWKQUJGRTEHJ-UHFFFAOYSA-N 1 0 290.407 2.461 20 10 CECDRO CC[NH+](CC)[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000097987274 520874283 /nfs/dbraw/zinc/87/42/83/520874283.db2.gz OHFQEVNGKOUATK-ZDUSSCGKSA-N 1 0 292.379 2.037 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[C@H](C)[NH3+])cc1F ZINC000192111049 520899564 /nfs/dbraw/zinc/89/95/64/520899564.db2.gz YFNATPJORBYRFG-RYUDHWBXSA-N 1 0 295.402 2.271 20 10 CECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1cccc(OC)c1O ZINC000292746927 520998409 /nfs/dbraw/zinc/99/84/09/520998409.db2.gz RBWNUIPRCYFPGJ-LBPRGKRZSA-N 1 0 294.395 2.043 20 10 CECDRO CC1CC[NH+](CCCNC(=O)Cc2ccc(N)cc2)CC1 ZINC000040316822 521005656 /nfs/dbraw/zinc/00/56/56/521005656.db2.gz YQFDLRUOXHEROB-UHFFFAOYSA-N 1 0 289.423 2.050 20 10 CECDRO CCOC(=O)[C@H](F)C1C[NH+](Cc2cc(C)ccc2O)C1 ZINC000293510849 521255534 /nfs/dbraw/zinc/25/55/34/521255534.db2.gz ABQRJUDZDDQHSG-CQSZACIVSA-N 1 0 281.327 2.034 20 10 CECDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cccc(OC)c1O ZINC000274906616 521356268 /nfs/dbraw/zinc/35/62/68/521356268.db2.gz GDXZWLPHRXRMPT-LLVKDONJSA-N 1 0 294.395 2.184 20 10 CECDRO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000293489981 521891853 /nfs/dbraw/zinc/89/18/53/521891853.db2.gz GMGNEBYPLMNKKG-MRXNPFEDSA-N 1 0 292.423 2.298 20 10 CECDRO COCC[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000293489971 521993769 /nfs/dbraw/zinc/99/37/69/521993769.db2.gz GMGNEBYPLMNKKG-INIZCTEOSA-N 1 0 292.423 2.298 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)cc1F ZINC000237084364 522200882 /nfs/dbraw/zinc/20/08/82/522200882.db2.gz XUZLYFRRVRPKIH-MRXNPFEDSA-N 1 0 293.386 2.040 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C(C)(C)C)cc1F ZINC000278592631 522213106 /nfs/dbraw/zinc/21/31/06/522213106.db2.gz FBLAXCZWXRHXMT-AWEZNQCLSA-N 1 0 268.376 2.388 20 10 CECDRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000278890240 522625762 /nfs/dbraw/zinc/62/57/62/522625762.db2.gz TXZCBNJFWJLRSZ-COXVUDFISA-N 1 0 292.423 2.333 20 10 CECDRO CC[C@H]([NH2+]C[C@H](COC)OC)c1ccc(C)cc1O ZINC000280269073 522627834 /nfs/dbraw/zinc/62/78/34/522627834.db2.gz XSTPRBNEUPVDIO-OCCSQVGLSA-N 1 0 267.369 2.403 20 10 CECDRO CN(CCC[NH+]1CCCC1)Cc1cc2c(cc1O)OCO2 ZINC000281107932 522750177 /nfs/dbraw/zinc/75/01/77/522750177.db2.gz AZGJZYVYTDCPAF-UHFFFAOYSA-N 1 0 292.379 2.039 20 10 CECDRO COCC(C)(C)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000292678298 522812881 /nfs/dbraw/zinc/81/28/81/522812881.db2.gz ALWHVEMGHXXSQO-UHFFFAOYSA-N 1 0 283.368 2.266 20 10 CECDRO CC[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(N(C)C)cc1 ZINC000280836601 522816422 /nfs/dbraw/zinc/81/64/22/522816422.db2.gz LMQZRDKUNONSFF-CYBMUJFWSA-N 1 0 299.365 2.175 20 10 CECDRO CC[C@@H]([NH2+]CCS(=O)(=O)CC)c1ccc(C)cc1O ZINC000280089828 522838633 /nfs/dbraw/zinc/83/86/33/522838633.db2.gz MGZATEOEHAZFKE-CYBMUJFWSA-N 1 0 285.409 2.176 20 10 CECDRO COCCN1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000273610453 523874943 /nfs/dbraw/zinc/87/49/43/523874943.db2.gz VRMBGPUWSRLMCM-KGLIPLIRSA-N 1 0 278.396 2.072 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000157424270 524403592 /nfs/dbraw/zinc/40/35/92/524403592.db2.gz RQUBVUQNYFUMSE-OAHLLOKOSA-N 1 0 290.407 2.433 20 10 CECDRO Cc1cccc(C[NH2+][C@H](c2nncn2C)C(C)C)c1O ZINC000289621555 524440973 /nfs/dbraw/zinc/44/09/73/524440973.db2.gz WKKQPMCEWWRKEU-ZDUSSCGKSA-N 1 0 274.368 2.316 20 10 CECDRO Cc1cccc(C[NH2+][C@H](CO)Cc2ccccc2)c1O ZINC000034472723 524441041 /nfs/dbraw/zinc/44/10/41/524441041.db2.gz AXPNTWYDLSWJEE-INIZCTEOSA-N 1 0 271.360 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DDZURQQAEVJHTL-UHFFFAOYSA-N 1 0 288.347 2.137 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)c1O ZINC000036996875 526034087 /nfs/dbraw/zinc/03/40/87/526034087.db2.gz APYQPDQAFWCJKL-ZIAGYGMSSA-N 1 0 276.380 2.117 20 10 CECDRO Cc1cc(C(=O)N(C)C2CC([NH3+])C2)c(C)n1-c1ccccn1 ZINC000294716418 526219007 /nfs/dbraw/zinc/21/90/07/526219007.db2.gz APGPTWKCEISPQW-UHFFFAOYSA-N 1 0 298.390 2.051 20 10 CECDRO Cc1nccnc1CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000293133872 527451453 /nfs/dbraw/zinc/45/14/53/527451453.db2.gz SZCOHYWHTDZTPS-UHFFFAOYSA-N 1 0 270.380 2.183 20 10 CECDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1O ZINC000037087265 527578269 /nfs/dbraw/zinc/57/82/69/527578269.db2.gz WASPSMPNILFIPT-ZDUSSCGKSA-N 1 0 257.337 2.293 20 10 CECDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000063000422 527581436 /nfs/dbraw/zinc/58/14/36/527581436.db2.gz VYPSAZJXRICJMR-MRXNPFEDSA-N 1 0 269.344 2.445 20 10 CECDRO CCOc1ccc(C[NH2+]CC[C@@H](C)OC)c(O)c1 ZINC000726607565 574428028 /nfs/dbraw/zinc/42/80/28/574428028.db2.gz QGGAXMAQTQGTSS-LLVKDONJSA-N 1 0 253.342 2.306 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)CCCC[NH+](C)C)c1 ZINC000729534654 574489138 /nfs/dbraw/zinc/48/91/38/574489138.db2.gz AEYISZIYGZNOQB-LBPRGKRZSA-N 1 0 294.395 2.310 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCN2CCC2)cc1F ZINC000752101018 575305391 /nfs/dbraw/zinc/30/53/91/575305391.db2.gz HAQOGGQHPKSDDX-UHFFFAOYSA-N 1 0 279.403 2.467 20 10 CECDRO CC(=O)NCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741712365 574994914 /nfs/dbraw/zinc/99/49/14/574994914.db2.gz UWNMRNCLPFFIES-UHFFFAOYSA-N 1 0 289.423 2.245 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000741752600 574996531 /nfs/dbraw/zinc/99/65/31/574996531.db2.gz BTRWHDUBASHZSI-INIZCTEOSA-N 1 0 289.423 2.195 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000749397832 575218093 /nfs/dbraw/zinc/21/80/93/575218093.db2.gz YZGUEQDMJXQAKD-UHFFFAOYSA-N 1 0 294.358 2.322 20 10 CECDRO C[C@H]([NH2+]Cc1cn[nH]c1)c1ccc(N2CCOCC2)cc1 ZINC000749915596 575239862 /nfs/dbraw/zinc/23/98/62/575239862.db2.gz MZASWDACBZIZMY-ZDUSSCGKSA-N 1 0 286.379 2.097 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[NH+](C)C)cc1 ZINC000750609943 575270519 /nfs/dbraw/zinc/27/05/19/575270519.db2.gz XJBZKXGAIMXTQR-ZDUSSCGKSA-N 1 0 277.412 2.099 20 10 CECDRO O=c1[nH]c2ccc(C[NH2+]Cc3ccccc3O)cc2[nH]1 ZINC000753569088 575330383 /nfs/dbraw/zinc/33/03/83/575330383.db2.gz WKWMAESAJBSTJE-UHFFFAOYSA-N 1 0 269.304 2.264 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000725841779 625613573 /nfs/dbraw/zinc/61/35/73/625613573.db2.gz ZKQYHWKQEMNFCM-ZDUSSCGKSA-N 1 0 290.363 2.386 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000742375640 623422752 /nfs/dbraw/zinc/42/27/52/623422752.db2.gz SYJDIBKYHXZXSP-TZMCWYRMSA-N 1 0 278.396 2.363 20 10 CECDRO COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000178900490 624949043 /nfs/dbraw/zinc/94/90/43/624949043.db2.gz NRGSMUZXPFSMJV-MRXNPFEDSA-N 1 0 277.364 2.394 20 10 CECDRO Cc1cc(O)c(C[NH2+]Cc2ccnn2C)c(Cl)c1 ZINC000840880782 625827559 /nfs/dbraw/zinc/82/75/59/625827559.db2.gz WZQGSVDLJQYXPA-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)c(O)c1OC ZINC000892569724 627279167 /nfs/dbraw/zinc/27/91/67/627279167.db2.gz BBUJYDQRQPRKIO-ONGXEEELSA-N 1 0 251.326 2.155 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC000164483072 627380673 /nfs/dbraw/zinc/38/06/73/627380673.db2.gz KJVCQMJFQGKSBU-MRXNPFEDSA-N 1 0 277.364 2.322 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CO)CC2)c1O ZINC000293167098 627389045 /nfs/dbraw/zinc/38/90/45/627389045.db2.gz OZKJILWVHKCJAA-LBPRGKRZSA-N 1 0 295.354 2.328 20 10 CECDRO COc1ccc(C[NH2+]CCCC(C)(C)CO)c(O)c1OC ZINC000893031257 627956204 /nfs/dbraw/zinc/95/62/04/627956204.db2.gz SNIQSKJRHRGHSI-UHFFFAOYSA-N 1 0 297.395 2.298 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC)C2(C)C)c(O)c1OC ZINC000893096530 627998436 /nfs/dbraw/zinc/99/84/36/627998436.db2.gz MWPZUSAZIUTTFF-STQMWFEESA-N 1 0 295.379 2.313 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)C2CCOCC2)c(O)c1OC ZINC000893120137 628018253 /nfs/dbraw/zinc/01/82/53/628018253.db2.gz GRVULOALYUPSQR-LLVKDONJSA-N 1 0 295.379 2.314 20 10 CECDRO CC(=O)OC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000180278367 628077282 /nfs/dbraw/zinc/07/72/82/628077282.db2.gz VVLLUTHYGMKSTC-UHFFFAOYSA-N 1 0 263.337 2.228 20 10 CECDRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000185117734 628223077 /nfs/dbraw/zinc/22/30/77/628223077.db2.gz AKEQERDXOCAVPQ-YPMHNXCESA-N 1 0 285.359 2.215 20 10 CECDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1ccc(N(C)C)cc1 ZINC000931041063 628340689 /nfs/dbraw/zinc/34/06/89/628340689.db2.gz GILQFVXMMBUDJS-XJKSGUPXSA-N 1 0 261.413 2.277 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1cn(C)cn1 ZINC000840953833 628857749 /nfs/dbraw/zinc/85/77/49/628857749.db2.gz ZQCXBCUARFMFGX-UHFFFAOYSA-N 1 0 272.396 2.127 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2(N(C)C)CCC2)cc1 ZINC000097929301 628971445 /nfs/dbraw/zinc/97/14/45/628971445.db2.gz AQAUHEJNJMDNRS-UHFFFAOYSA-N 1 0 261.413 2.327 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCC=CO2)c(O)c1OC ZINC000893867808 629021427 /nfs/dbraw/zinc/02/14/27/629021427.db2.gz ORJSSLGENKUPPP-LBPRGKRZSA-N 1 0 279.336 2.192 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2C)c1cnnn1C ZINC000924871471 629138571 /nfs/dbraw/zinc/13/85/71/629138571.db2.gz NKAKHWUWPQPZCJ-GFCCVEGCSA-N 1 0 285.395 2.048 20 10 CECDRO Cc1ccc2ncc(C=C3SC(=S)NC3=O)n2c1 ZINC000178765517 629150616 /nfs/dbraw/zinc/15/06/16/629150616.db2.gz BFICMHCXAPIUEW-WTKPLQERSA-N 1 0 275.358 2.132 20 10 CECDRO COc1cc(C)cc(C[NH2+]C2CCN(C3CC3)CC2)c1O ZINC000894163122 629177441 /nfs/dbraw/zinc/17/74/41/629177441.db2.gz JDGOVRVPQYGDCT-UHFFFAOYSA-N 1 0 290.407 2.426 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCc2nccs2)c1O ZINC000894210462 629227116 /nfs/dbraw/zinc/22/71/16/629227116.db2.gz BRPCPOXEWAIRIY-UHFFFAOYSA-N 1 0 278.377 2.498 20 10 CECDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000178902650 629278709 /nfs/dbraw/zinc/27/87/09/629278709.db2.gz MBRICZRXPQOETN-CYBMUJFWSA-N 1 0 293.363 2.237 20 10 CECDRO CC[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(C)cc1O ZINC000794807788 629325407 /nfs/dbraw/zinc/32/54/07/629325407.db2.gz LQWXMJLZNMHVRR-HOCLYGCPSA-N 1 0 292.423 2.462 20 10 CECDRO CC[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(C)cc1O ZINC000794809083 629326569 /nfs/dbraw/zinc/32/65/69/629326569.db2.gz QGEFLXLYNCWPQD-HOCLYGCPSA-N 1 0 292.423 2.462 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)c1O ZINC000894487114 629489014 /nfs/dbraw/zinc/48/90/14/629489014.db2.gz GJFZIOOOYHZVDU-STQMWFEESA-N 1 0 278.396 2.234 20 10 CECDRO COc1ccc(C[NH2+][C@@H](CO)C2CCCC2)c(O)c1OC ZINC000894556818 629525994 /nfs/dbraw/zinc/52/59/94/629525994.db2.gz LOCOERXSDSSKAQ-ZDUSSCGKSA-N 1 0 295.379 2.050 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C2OCCO2)cc1C ZINC000902623182 634750742 /nfs/dbraw/zinc/75/07/42/634750742.db2.gz VHUICNPYEIKVEQ-AWEZNQCLSA-N 1 0 277.364 2.346 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC)C2CC2)c(O)c1OC ZINC000894755451 629622486 /nfs/dbraw/zinc/62/24/86/629622486.db2.gz QVDUTJUORPTRKY-ZUZCIYMTSA-N 1 0 295.379 2.313 20 10 CECDRO COc1cc(C)cc(CN(C)CC[N@H+](C)C2CC2)c1O ZINC000894777444 629633745 /nfs/dbraw/zinc/63/37/45/629633745.db2.gz OPJWVYJFPVWXRV-UHFFFAOYSA-N 1 0 278.396 2.235 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCO[C@@H]2CCCCO2)c1 ZINC000894799922 629647548 /nfs/dbraw/zinc/64/75/48/629647548.db2.gz QCWJXDYZKGTZEF-MRXNPFEDSA-N 1 0 295.379 2.424 20 10 CECDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000894881358 629715357 /nfs/dbraw/zinc/71/53/57/629715357.db2.gz OPJQKFYAMPCUFL-GXTWGEPZSA-N 1 0 279.380 2.302 20 10 CECDRO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882098 630037313 /nfs/dbraw/zinc/03/73/13/630037313.db2.gz WFYUYNYUMASYFS-SWLSCSKDSA-N 1 0 292.427 2.096 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1 ZINC000797071035 630124855 /nfs/dbraw/zinc/12/48/55/630124855.db2.gz PGYCFQRFDGSYGI-NEPJUHHUSA-N 1 0 297.420 2.317 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2CSC2)cc1F ZINC000895421366 630184496 /nfs/dbraw/zinc/18/44/96/630184496.db2.gz HYCRAFWKHSNEQE-UHFFFAOYSA-N 1 0 254.374 2.344 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CC2CSC2)cc1F ZINC000895423129 630186243 /nfs/dbraw/zinc/18/62/43/630186243.db2.gz AEVLVBZLWLCOOQ-UHFFFAOYSA-N 1 0 272.364 2.483 20 10 CECDRO CC1=C[C@H](C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000797419426 630233135 /nfs/dbraw/zinc/23/31/35/630233135.db2.gz LPZCKAFTRTVKMQ-BONVTDFDSA-N 1 0 275.348 2.216 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](CO)Cc2ccoc2)c1O ZINC000895586547 630262274 /nfs/dbraw/zinc/26/22/74/630262274.db2.gz XBRCGIKPNGJITA-AWEZNQCLSA-N 1 0 289.375 2.488 20 10 CECDRO COc1cccc(O)c1CNCc1nc(C(F)F)no1 ZINC000895727901 630317828 /nfs/dbraw/zinc/31/78/28/630317828.db2.gz VKGHZSUOFLSEGL-UHFFFAOYSA-N 1 0 285.250 2.011 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000895752351 630330395 /nfs/dbraw/zinc/33/03/95/630330395.db2.gz HYDVFQQRIMQZOT-HNNXBMFYSA-N 1 0 293.313 2.364 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CCCn3nncc3C2)cc1 ZINC000895757696 630333627 /nfs/dbraw/zinc/33/36/27/630333627.db2.gz WCNZGGNBOVCHQX-HYXAFXHYSA-N 1 0 297.406 2.263 20 10 CECDRO C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cc(F)ccc3O)O2)CO1 ZINC000895820273 630361909 /nfs/dbraw/zinc/36/19/09/630361909.db2.gz NEAQFVLZAMEJAV-DIOULYMOSA-N 1 0 295.354 2.348 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]2C)c1 ZINC000895923623 630404882 /nfs/dbraw/zinc/40/48/82/630404882.db2.gz XOCLTXMALAQZRI-RWMBFGLXSA-N 1 0 276.380 2.140 20 10 CECDRO COCC1C[NH+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000895969920 630422703 /nfs/dbraw/zinc/42/27/03/630422703.db2.gz SHYOEUAOYJSPSI-UHFFFAOYSA-N 1 0 255.745 2.432 20 10 CECDRO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3O)C2)no1 ZINC000896240114 630509450 /nfs/dbraw/zinc/50/94/50/630509450.db2.gz NUYJQEKELYBPML-LBPRGKRZSA-N 1 0 259.309 2.073 20 10 CECDRO C[C@]1([C@H]2CCC[N@H+](Cc3ccccc3O)C2)COC(=O)N1 ZINC000896397035 630552753 /nfs/dbraw/zinc/55/27/53/630552753.db2.gz 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CWCHUIRXVOZELM-SFHVURJKSA-N 1 0 296.370 2.257 20 10 CECDRO Oc1c(C[NH2+]C[C@H](O)C2CC2)ccc2ccccc21 ZINC000816610330 633450596 /nfs/dbraw/zinc/45/05/96/633450596.db2.gz GYRBLWUWGJRIBU-HNNXBMFYSA-N 1 0 257.333 2.406 20 10 CECDRO COc1c(O)c(C[N@@H+]2C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000816647223 633456107 /nfs/dbraw/zinc/45/61/07/633456107.db2.gz PKANKUOWYUZCQJ-RKDXNWHRSA-N 1 0 266.297 2.149 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](CO)CC2)c1 ZINC000816665355 633459782 /nfs/dbraw/zinc/45/97/82/633459782.db2.gz DBVOLUHAPBBQIH-ZDUSSCGKSA-N 1 0 279.380 2.385 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@H](O)CC2)c(O)c1 ZINC000816667147 633460856 /nfs/dbraw/zinc/46/08/56/633460856.db2.gz DSVBQHFCFKVJDE-ZDUSSCGKSA-N 1 0 265.353 2.138 20 10 CECDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1=O ZINC000817589640 633702565 /nfs/dbraw/zinc/70/25/65/633702565.db2.gz OVQUBXKZLLCWAB-NWDGAFQWSA-N 1 0 294.370 2.440 20 10 CECDRO CCCN1C[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)CC1=O ZINC000817589904 633703279 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Nc1ccc(CC[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000817958721 633800488 /nfs/dbraw/zinc/80/04/88/633800488.db2.gz XPTYYBNODZMNHV-HNNXBMFYSA-N 1 0 260.381 2.360 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)cc1[O-] ZINC000817964549 633806964 /nfs/dbraw/zinc/80/69/64/633806964.db2.gz CHXNDYQYBPDYRH-QWHCGFSZSA-N 1 0 252.333 2.309 20 10 CECDRO COCCNCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000817965571 633808725 /nfs/dbraw/zinc/80/87/25/633808725.db2.gz XVJOSIZDVLJEHW-NSHDSACASA-N 1 0 286.803 2.241 20 10 CECDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1cc(F)ccc1O ZINC000817967858 633810573 /nfs/dbraw/zinc/81/05/73/633810573.db2.gz CUQOZQLSCURHAT-OUJBWJOFSA-N 1 0 252.333 2.180 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)c(O)c1 ZINC000817976422 633819848 /nfs/dbraw/zinc/81/98/48/633819848.db2.gz LVBVKULVVBKKOG-WOPDTQHZSA-N 1 0 252.333 2.051 20 10 CECDRO CC[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000817979623 633822192 /nfs/dbraw/zinc/82/21/92/633822192.db2.gz CATUTYKTUNFHNL-YPMHNXCESA-N 1 0 270.323 2.430 20 10 CECDRO CCN(C)c1ccc([C@H](C)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000817983239 633826385 /nfs/dbraw/zinc/82/63/85/633826385.db2.gz ZXXDMVRYXLITLC-WMLDXEAASA-N 1 0 291.439 2.172 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccc2ccccc2c1O ZINC000817983948 633827567 /nfs/dbraw/zinc/82/75/67/633827567.db2.gz SFDIYOHILYMPNX-OCCSQVGLSA-N 1 0 286.375 2.184 20 10 CECDRO Nc1ccc(CCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000818545076 633942500 /nfs/dbraw/zinc/94/25/00/633942500.db2.gz FORCEQVLOUPZLK-JKSUJKDBSA-N 1 0 289.423 2.225 20 10 CECDRO COC[C@H](O)C[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000819039817 634048177 /nfs/dbraw/zinc/04/81/77/634048177.db2.gz UHLJNLCPEKARSH-QGZVFWFLSA-N 1 0 292.423 2.020 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C2CC(CC(N)=O)C2)c(O)c1C ZINC000903259856 635033494 /nfs/dbraw/zinc/03/34/94/635033494.db2.gz KLYWOVFOPFGRJH-HIFPTAJRSA-N 1 0 276.380 2.314 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C)c2c1c(F)ccc2O ZINC000903317404 635064120 /nfs/dbraw/zinc/06/41/20/635064120.db2.gz KGGHHEVWHDIFNG-SCVCMEIPSA-N 1 0 264.344 2.373 20 10 CECDRO COc1cc(N(C)C[C@@H]2C[NH2+]C[C@H]2C)cc(OC)c1OC ZINC000903439959 635118957 /nfs/dbraw/zinc/11/89/57/635118957.db2.gz ROQWUKFUZUJXAE-NEPJUHHUSA-N 1 0 294.395 2.004 20 10 CECDRO Oc1cc(Br)ccc1C[NH+]1CCC(O)CC1 ZINC000824522781 635440529 /nfs/dbraw/zinc/44/05/29/635440529.db2.gz RVOGIEKPRGKIBH-UHFFFAOYSA-N 1 0 286.169 2.111 20 10 CECDRO CC[C@@H](CO)[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000824534029 635444742 /nfs/dbraw/zinc/44/47/42/635444742.db2.gz XULZLXOAVMNQHG-QMMMGPOBSA-N 1 0 261.724 2.387 20 10 CECDRO CC[C@H]([NH2+]CC[C@@](C)(O)COC)c1ccccc1O ZINC000824559319 635450412 /nfs/dbraw/zinc/45/04/12/635450412.db2.gz PEHLQUSATOVNGE-DZGCQCFKSA-N 1 0 267.369 2.220 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1Cl ZINC000824575868 635455418 /nfs/dbraw/zinc/45/54/18/635455418.db2.gz SMTBUAYEVCWKIP-QWRGUYRKSA-N 1 0 296.798 2.440 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CC)[C@@H](O)C(F)F)c(O)c1 ZINC000824635306 635466865 /nfs/dbraw/zinc/46/68/65/635466865.db2.gz GPYFTJCSQSHIQL-DGCLKSJQSA-N 1 0 289.322 2.285 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)CCCCO)c(O)c1 ZINC000824653792 635471108 /nfs/dbraw/zinc/47/11/08/635471108.db2.gz IAXVZXSPIHHMAI-LBPRGKRZSA-N 1 0 267.369 2.432 20 10 CECDRO CS[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824683962 635477653 /nfs/dbraw/zinc/47/76/53/635477653.db2.gz ZBFATDYDSJGYPC-MRXNPFEDSA-N 1 0 292.448 2.461 20 10 CECDRO COc1ccc(O)c(C[N@H+]2CC[C@@H](OC)[C@H](C)C2)c1 ZINC000824815327 635503516 /nfs/dbraw/zinc/50/35/16/635503516.db2.gz LYHUPKZVHGFKQI-IAQYHMDHSA-N 1 0 265.353 2.258 20 10 CECDRO CC[N@H+](CCCO)Cc1ccc(Br)cc1O ZINC000824861950 635515110 /nfs/dbraw/zinc/51/51/10/635515110.db2.gz DSOYAWKCIDAVLB-UHFFFAOYSA-N 1 0 288.185 2.359 20 10 CECDRO CN(C)c1ccc(C[N@H+](Cc2ccc(N)nn2)C2CC2)cc1 ZINC000904306877 635556477 /nfs/dbraw/zinc/55/64/77/635556477.db2.gz GJHGUNPBIXHTIL-UHFFFAOYSA-N 1 0 297.406 2.289 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC000825133260 635576382 /nfs/dbraw/zinc/57/63/82/635576382.db2.gz BDEPNTLKKGZERM-MRXNPFEDSA-N 1 0 277.364 2.403 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)Cn2cncn2)cc1Cl ZINC000825150925 635579724 /nfs/dbraw/zinc/57/97/24/635579724.db2.gz MZINJHCXVRYIBJ-SNVBAGLBSA-N 1 0 280.759 2.124 20 10 CECDRO COC(=O)c1oc(C[NH2+]Cc2ccccc2O)cc1C ZINC000825185169 635587504 /nfs/dbraw/zinc/58/75/04/635587504.db2.gz JZLBGVNSRLTCTM-UHFFFAOYSA-N 1 0 275.304 2.370 20 10 CECDRO COc1cc(O)c(C[NH2+]CC(C)(C)C(C)(C)O)cc1OC ZINC000825200305 635590663 /nfs/dbraw/zinc/59/06/63/635590663.db2.gz CPFHMVUVLKFIBA-UHFFFAOYSA-N 1 0 297.395 2.296 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2(C)COC2)cc1Cl ZINC000825266854 635602605 /nfs/dbraw/zinc/60/26/05/635602605.db2.gz NLEVOKYRJSNKFU-UHFFFAOYSA-N 1 0 255.745 2.480 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H]2CO[C@@H](C)C2)ccc1OC ZINC000842774512 635775734 /nfs/dbraw/zinc/77/57/34/635775734.db2.gz IHCLPKBWTKZUCU-WFASDCNBSA-N 1 0 279.380 2.499 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000826845104 635859531 /nfs/dbraw/zinc/85/95/31/635859531.db2.gz FPBNOKHQOLBTOH-HUUCEWRRSA-N 1 0 290.407 2.290 20 10 CECDRO COC[C@@H](C)C[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000826846435 635860614 /nfs/dbraw/zinc/86/06/14/635860614.db2.gz URKSRRGTWJDQFS-KBPBESRZSA-N 1 0 278.396 2.146 20 10 CECDRO CO[C@@]1(CO)CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000826952218 636170598 /nfs/dbraw/zinc/17/05/98/636170598.db2.gz HHALILYRVYEOKC-KRWDZBQOSA-N 1 0 292.423 2.034 20 10 CECDRO CN1CC(C[N@H+](C)Cc2cc(Br)ccc2O)C1 ZINC000827126308 636226353 /nfs/dbraw/zinc/22/63/53/636226353.db2.gz ZCRBAFUVXCFGOX-UHFFFAOYSA-N 1 0 299.212 2.148 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1O ZINC000827366495 636306179 /nfs/dbraw/zinc/30/61/79/636306179.db2.gz WJBDMYXQMHPQNI-KGLIPLIRSA-N 1 0 261.365 2.348 20 10 CECDRO CCOc1ccc(CN2CCc3nccnc3C2)c(O)c1 ZINC000827692914 636393679 /nfs/dbraw/zinc/39/36/79/636393679.db2.gz SENKRUFIDIVPSY-UHFFFAOYSA-N 1 0 285.347 2.139 20 10 CECDRO COC(=O)[C@H]1C[C@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000827812733 636431850 /nfs/dbraw/zinc/43/18/50/636431850.db2.gz WNCSTBSCBIDXKB-LEOKVQLJSA-N 1 0 288.391 2.307 20 10 CECDRO C[C@H](NC(=O)CCCC[NH+](C)C)c1ccccc1O ZINC000827978284 636477885 /nfs/dbraw/zinc/47/78/85/636477885.db2.gz NRNPFDKKSVYNFR-LBPRGKRZSA-N 1 0 264.369 2.301 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000828144363 636521950 /nfs/dbraw/zinc/52/19/50/636521950.db2.gz DAECABJXORRNFX-TZMCWYRMSA-N 1 0 276.380 2.129 20 10 CECDRO [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000906508678 636760364 /nfs/dbraw/zinc/76/03/64/636760364.db2.gz UNKKFVPQRIDMDY-KYZUINATSA-N 1 0 261.152 2.278 20 10 CECDRO CCCC[N@H+](Cc1ccccc1O)C[C@](C)(O)C(C)=O ZINC000829516049 636872932 /nfs/dbraw/zinc/87/29/32/636872932.db2.gz NZXMEZCYGTYBRI-INIZCTEOSA-N 1 0 279.380 2.334 20 10 CECDRO CCC[NH2+][C@H](C)C(=O)NCCCSc1nccs1 ZINC000829527741 636875103 /nfs/dbraw/zinc/87/51/03/636875103.db2.gz DPBREMRDWLTKPA-SNVBAGLBSA-N 1 0 287.454 2.130 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(C[NH3+])c1 ZINC000829763964 636924634 /nfs/dbraw/zinc/92/46/34/636924634.db2.gz DUXRLIPACMRUHH-UHFFFAOYSA-N 1 0 297.402 2.450 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000831211269 637255698 /nfs/dbraw/zinc/25/56/98/637255698.db2.gz FEDHDSYDIJNCIB-QWHCGFSZSA-N 1 0 293.411 2.440 20 10 CECDRO Cc1cc(C(=O)NCC2([NH3+])CCC2)c(C)n1-c1ccccn1 ZINC000831549461 637370785 /nfs/dbraw/zinc/37/07/85/637370785.db2.gz BFIHEEJDIOPCIQ-UHFFFAOYSA-N 1 0 298.390 2.100 20 10 CECDRO CCCCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293151 637535282 /nfs/dbraw/zinc/53/52/82/637535282.db2.gz QIKILDVQYYGKIP-OAHLLOKOSA-N 1 0 277.412 2.449 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC(C)(C)C)cc1 ZINC000832293619 637535664 /nfs/dbraw/zinc/53/56/64/637535664.db2.gz YYSLNOZMSVHUIW-AWEZNQCLSA-N 1 0 277.412 2.305 20 10 CECDRO Cc1ccoc1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293626 637535720 /nfs/dbraw/zinc/53/57/20/637535720.db2.gz ZBDGFLYKHMLLRJ-CQSZACIVSA-N 1 0 287.363 2.084 20 10 CECDRO O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCC[NH2+]C2CC2)c1[O-] ZINC000841091596 637760421 /nfs/dbraw/zinc/76/04/21/637760421.db2.gz BLNHCPJMAIVKHY-UHFFFAOYSA-N 1 0 299.758 2.186 20 10 CECDRO CN(C)[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000834518686 637851996 /nfs/dbraw/zinc/85/19/96/637851996.db2.gz MGNUFBIWZVKZNR-ZIAGYGMSSA-N 1 0 260.381 2.309 20 10 CECDRO Cc1ccc(C[N@@H+]2CCN3CCCC[C@@H]3C2)c(O)c1 ZINC000876647091 650373777 /nfs/dbraw/zinc/37/37/77/650373777.db2.gz FREDADUYFQOVBC-OAHLLOKOSA-N 1 0 260.381 2.371 20 10 CECDRO COCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000101597623 637898518 /nfs/dbraw/zinc/89/85/18/637898518.db2.gz FVQHUKCTKHKYBL-CQSZACIVSA-N 1 0 278.396 2.038 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000876650434 650376051 /nfs/dbraw/zinc/37/60/51/650376051.db2.gz SGDHKGRCBJGYEM-ZDUSSCGKSA-N 1 0 276.380 2.178 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1nnnn1C1CC1 ZINC000834784032 637951045 /nfs/dbraw/zinc/95/10/45/637951045.db2.gz QYUNUTKEIHIAEN-BXKDBHETSA-N 1 0 285.351 2.052 20 10 CECDRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000834842967 637967142 /nfs/dbraw/zinc/96/71/42/637967142.db2.gz DVLSWJOGYAVBPJ-CJNGLKHVSA-N 1 0 280.412 2.191 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000834842988 637967465 /nfs/dbraw/zinc/96/74/65/637967465.db2.gz FLWSKDJUTBOGER-CZUORRHYSA-N 1 0 281.396 2.447 20 10 CECDRO COC[C@@](C)(O)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000834844646 637967522 /nfs/dbraw/zinc/96/75/22/637967522.db2.gz SRXJNRPWVNSVDN-DOMZBBRYSA-N 1 0 267.369 2.139 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCCN2CCCO)c1 ZINC000834850036 637971071 /nfs/dbraw/zinc/97/10/71/637971071.db2.gz IUKVSVDGOLKZPF-LSDHHAIUSA-N 1 0 292.423 2.198 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000834880807 637977214 /nfs/dbraw/zinc/97/72/14/637977214.db2.gz ROJLTCSPXNBOSX-HEHGZKQESA-N 1 0 279.380 2.403 20 10 CECDRO COCC(COC)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000834889940 637979101 /nfs/dbraw/zinc/97/91/01/637979101.db2.gz HLIDYELWUKARPS-LBPRGKRZSA-N 1 0 267.369 2.321 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000834907036 637983644 /nfs/dbraw/zinc/98/36/44/637983644.db2.gz LHYQXIHMPUXGRD-FPMFFAJLSA-N 1 0 275.396 2.057 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c(O)c1 ZINC000834906522 637983688 /nfs/dbraw/zinc/98/36/88/637983688.db2.gz FYYCSNMJBMOBDI-SDDRHHMPSA-N 1 0 262.353 2.005 20 10 CECDRO CC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C(=O)NC ZINC000834912414 637985729 /nfs/dbraw/zinc/98/57/29/637985729.db2.gz LXKUVTIJLJMFHF-LSJOCFKGSA-N 1 0 280.343 2.194 20 10 CECDRO CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)C(=O)NC ZINC000834910891 637986038 /nfs/dbraw/zinc/98/60/38/637986038.db2.gz GJRLGWMITDSSSC-QWHCGFSZSA-N 1 0 264.369 2.266 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c1 ZINC000834910336 637986338 /nfs/dbraw/zinc/98/63/38/637986338.db2.gz WMPZDSWORBROLB-IAQYHMDHSA-N 1 0 262.353 2.020 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@H+](CCO)CC2CC2)cc1 ZINC000835024890 638028925 /nfs/dbraw/zinc/02/89/25/638028925.db2.gz ALUWVBYFZURPCX-ONEGZZNKSA-N 1 0 274.408 2.470 20 10 CECDRO CC1(C)[C@H](C(=O)NCCCSc2nccs2)C[C@@H]1[NH3+] ZINC000876662985 650385788 /nfs/dbraw/zinc/38/57/88/650385788.db2.gz UWHCLHZHNFYFBH-UWVGGRQHSA-N 1 0 299.465 2.115 20 10 CECDRO CCNC(=O)CN(CC)C/C=C\c1ccc(N(C)C)cc1 ZINC000835024674 638029387 /nfs/dbraw/zinc/02/93/87/638029387.db2.gz ATPNHFADVLJNER-FPLPWBNLSA-N 1 0 289.423 2.224 20 10 CECDRO CC(C)NC(=O)CN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835025068 638029689 /nfs/dbraw/zinc/02/96/89/638029689.db2.gz GFHKRJXZIXKGBR-SREVYHEPSA-N 1 0 289.423 2.222 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(CO)CC2)cc1 ZINC000835041761 638035500 /nfs/dbraw/zinc/03/55/00/638035500.db2.gz DSSQAOCPOGSULW-ARJAWSKDSA-N 1 0 260.381 2.128 20 10 CECDRO COCCOC[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835044359 638036490 /nfs/dbraw/zinc/03/64/90/638036490.db2.gz ZAORBXXMJHTUFR-YVACAVLKSA-N 1 0 292.423 2.407 20 10 CECDRO COC[C@@H]1CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835056949 638041991 /nfs/dbraw/zinc/04/19/91/638041991.db2.gz WYXWJDHLQZSSKA-APHBUQMISA-N 1 0 260.381 2.487 20 10 CECDRO C[C@@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCC(=O)N1 ZINC000835061371 638044750 /nfs/dbraw/zinc/04/47/50/638044750.db2.gz RXFKOQPYRRNGGC-KRWDZBQOSA-N 1 0 284.359 2.304 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CC[C@@H](C)O2)c1 ZINC000835085997 638056019 /nfs/dbraw/zinc/05/60/19/638056019.db2.gz AROJBTZSVPZLIT-BXUZGUMPSA-N 1 0 265.353 2.448 20 10 CECDRO Cc1ccc2c(c1)OCCN2C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876669821 650391740 /nfs/dbraw/zinc/39/17/40/650391740.db2.gz YXTPQXFGHSJVED-VSKVDJIOSA-N 1 0 286.375 2.276 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000876728841 650412200 /nfs/dbraw/zinc/41/22/00/650412200.db2.gz XPHTZWKABWOOLB-OAHLLOKOSA-N 1 0 287.407 2.197 20 10 CECDRO Cc1ccc(C[NH+]2CCN(CCOC(C)C)CC2)c(O)c1 ZINC000876757976 650422430 /nfs/dbraw/zinc/42/24/30/650422430.db2.gz DFRBMOVHWNCZFR-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO Cc1cccc(O)c1C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000876754302 650421326 /nfs/dbraw/zinc/42/13/26/650421326.db2.gz FLKKRGIDUCHNBI-UHFFFAOYSA-N 1 0 298.386 2.449 20 10 CECDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c(C)cccc3O)[C@H]2C1 ZINC000876814045 650443822 /nfs/dbraw/zinc/44/38/22/650443822.db2.gz JIWYQVDJZZIFGH-UKPHBRMFSA-N 1 0 291.391 2.469 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000876872671 650467256 /nfs/dbraw/zinc/46/72/56/650467256.db2.gz JLALOXOSXKYDLY-LSDHHAIUSA-N 1 0 289.423 2.084 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCc1nnc2ccccn21 ZINC000876896816 650477136 /nfs/dbraw/zinc/47/71/36/650477136.db2.gz BBKHQJUNYVBDRU-UHFFFAOYSA-N 1 0 282.347 2.076 20 10 CECDRO COc1ncccc1C[NH2+]Cc1ccc(C)cc1O ZINC000876925435 650488645 /nfs/dbraw/zinc/48/86/45/650488645.db2.gz FWTBHRBZPQZTLI-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000840827024 639553409 /nfs/dbraw/zinc/55/34/09/639553409.db2.gz ZHLNGEOQCZQKJO-HFHAKLMTSA-N 1 0 281.327 2.083 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCNC2=O)c(O)c1 ZINC000840824923 639553612 /nfs/dbraw/zinc/55/36/12/639553612.db2.gz AWJXHLAPYPEYKF-CHWSQXEVSA-N 1 0 276.380 2.186 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)OC)c1 ZINC000168823615 639586264 /nfs/dbraw/zinc/58/62/64/639586264.db2.gz BJFLWLVMAINITG-SNVBAGLBSA-N 1 0 253.342 2.476 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000840935002 639591055 /nfs/dbraw/zinc/59/10/55/639591055.db2.gz ZPQDITZZJBPCHU-HNNXBMFYSA-N 1 0 284.407 2.431 20 10 CECDRO COCCCN(C)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840935121 639591702 /nfs/dbraw/zinc/59/17/02/639591702.db2.gz FVPIMAMYSPKIIX-UHFFFAOYSA-N 1 0 293.455 2.119 20 10 CECDRO COC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)C[C@@H](C)O1 ZINC000840940092 639593930 /nfs/dbraw/zinc/59/39/30/639593930.db2.gz UKABSFHGLYCHGL-PBHICJAKSA-N 1 0 292.423 2.297 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1O ZINC000840963886 639602691 /nfs/dbraw/zinc/60/26/91/639602691.db2.gz RIQQJUNWWFLXEN-SMDDNHRTSA-N 1 0 299.798 2.231 20 10 CECDRO COc1cccc(C[NH+]2CC(CO)(c3ccccc3)C2)c1O ZINC000840970276 639605028 /nfs/dbraw/zinc/60/50/28/639605028.db2.gz SQAUUNYGVSIQMX-UHFFFAOYSA-N 1 0 299.370 2.147 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c(O)c1 ZINC000840977050 639606899 /nfs/dbraw/zinc/60/68/99/639606899.db2.gz FQYHPWGZOQPXSW-GXTWGEPZSA-N 1 0 279.380 2.432 20 10 CECDRO Cc1cc(Cl)cc(CN2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC000841024958 639620385 /nfs/dbraw/zinc/62/03/85/639620385.db2.gz VCOBOVYRXCHEMP-BXKDBHETSA-N 1 0 254.761 2.276 20 10 CECDRO Cc1cc(Br)cc(C[NH2+][C@H](CN)C2CC2)c1O ZINC000841029124 639621303 /nfs/dbraw/zinc/62/13/03/639621303.db2.gz SXTOKBHZHHNKGZ-GFCCVEGCSA-N 1 0 299.212 2.290 20 10 CECDRO CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841028867 639621500 /nfs/dbraw/zinc/62/15/00/639621500.db2.gz JMGWMVAHNGLHDZ-JTQLQIEISA-N 1 0 287.747 2.027 20 10 CECDRO CCN(CC)c1ccc(CNC[C@@H]2CCC[NH2+]2)cc1 ZINC000841035266 639627613 /nfs/dbraw/zinc/62/76/13/639627613.db2.gz JLRMFPCALQHVDY-HNNXBMFYSA-N 1 0 261.413 2.374 20 10 CECDRO CC[NH2+]CCNCc1ccc(N2CCCCC2)cc1 ZINC000841037695 639628537 /nfs/dbraw/zinc/62/85/37/639628537.db2.gz SGDWYTYPESMDPR-UHFFFAOYSA-N 1 0 261.413 2.376 20 10 CECDRO Cc1nc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cs1 ZINC000841042433 639629401 /nfs/dbraw/zinc/62/94/01/639629401.db2.gz JOKYHRMRGWPTJA-OAHLLOKOSA-N 1 0 290.436 2.307 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH2+]1 ZINC000841060718 639637138 /nfs/dbraw/zinc/63/71/38/639637138.db2.gz BLOIJMGDTSCYFY-KWQFWETISA-N 1 0 299.758 2.184 20 10 CECDRO C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841063588 639639070 /nfs/dbraw/zinc/63/90/70/639639070.db2.gz LDIZLOUPQIMRMU-KWQFWETISA-N 1 0 299.758 2.041 20 10 CECDRO [O-]c1c(F)cccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000841072409 639643399 /nfs/dbraw/zinc/64/33/99/639643399.db2.gz JNUYVZLIYQJFOD-LBPRGKRZSA-N 1 0 252.333 2.153 20 10 CECDRO CN(C)c1ccc(/C=C\CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000841077863 639647518 /nfs/dbraw/zinc/64/75/18/639647518.db2.gz DXAVLWDSYWZTAB-CGXNLCPXSA-N 1 0 277.387 2.055 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000229104472 639676551 /nfs/dbraw/zinc/67/65/51/639676551.db2.gz INUYZXOVBXQHPS-CABZTGNLSA-N 1 0 284.787 2.223 20 10 CECDRO C[C@H](CNC(=O)Nc1ccc(N)cc1)C[NH+]1CCCC1 ZINC000062070013 639735133 /nfs/dbraw/zinc/73/51/33/639735133.db2.gz QWMSLDJKAHFHCS-GFCCVEGCSA-N 1 0 276.384 2.122 20 10 CECDRO CS[C@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000230696808 639779593 /nfs/dbraw/zinc/77/95/93/639779593.db2.gz OXLWITISXQRVJC-MNOVXSKESA-N 1 0 281.377 2.495 20 10 CECDRO C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1[O-] ZINC000062748446 639783267 /nfs/dbraw/zinc/78/32/67/639783267.db2.gz IRYCZULIEDQAHY-OIKLOGQESA-N 1 0 252.333 2.452 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000841897631 639902361 /nfs/dbraw/zinc/90/23/61/639902361.db2.gz HDBXYNIJUOQUTJ-AWEZNQCLSA-N 1 0 297.393 2.490 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H](C)C[NH3+] ZINC000841963994 639912283 /nfs/dbraw/zinc/91/22/83/639912283.db2.gz ZBRMNMJTHACMFX-CYBMUJFWSA-N 1 0 293.411 2.299 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)[NH2+]CC ZINC000841986062 639915676 /nfs/dbraw/zinc/91/56/76/639915676.db2.gz PKCLAJLLWMIRQR-CYBMUJFWSA-N 1 0 293.411 2.312 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C[NH3+] ZINC000841983206 639915692 /nfs/dbraw/zinc/91/56/92/639915692.db2.gz PUZNMRBCZUCBRR-ZDUSSCGKSA-N 1 0 292.427 2.020 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000842009203 639917923 /nfs/dbraw/zinc/91/79/23/639917923.db2.gz ZZNPWXAJSPIGBB-RYUDHWBXSA-N 1 0 279.384 2.050 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000877044973 650545283 /nfs/dbraw/zinc/54/52/83/650545283.db2.gz MXTJDRUKESKTIK-KBPBESRZSA-N 1 0 290.407 2.437 20 10 CECDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000842754327 640170852 /nfs/dbraw/zinc/17/08/52/640170852.db2.gz NWJAWHQBIGVKRI-AAEUAGOBSA-N 1 0 267.369 2.288 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000842911884 640220387 /nfs/dbraw/zinc/22/03/87/640220387.db2.gz OCJPZGZVZCVYSX-ZWKOPEQDSA-N 1 0 285.771 2.418 20 10 CECDRO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1ccccc1O ZINC000842918087 640221359 /nfs/dbraw/zinc/22/13/59/640221359.db2.gz YTSLUASGWVWKKL-BLLLJJGKSA-N 1 0 279.380 2.220 20 10 CECDRO CN(C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)c1ccc(N)cc1 ZINC000877076107 650561051 /nfs/dbraw/zinc/56/10/51/650561051.db2.gz MBSJUDUHWBYTEW-SFHVURJKSA-N 1 0 295.386 2.163 20 10 CECDRO CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000843049598 640253462 /nfs/dbraw/zinc/25/34/62/640253462.db2.gz SFWNEFNUFUENHV-QGZVFWFLSA-N 1 0 273.424 2.471 20 10 CECDRO C[NH2+][C@H]1CCCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000843048748 640253913 /nfs/dbraw/zinc/25/39/13/640253913.db2.gz VVIDMAYLTDIFQN-LEXSJLIMSA-N 1 0 273.424 2.450 20 10 CECDRO C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 ZINC000843052178 640254649 /nfs/dbraw/zinc/25/46/49/640254649.db2.gz JWCPQYADVKGKDJ-NSHDSACASA-N 1 0 268.788 2.395 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CC[NH2+]CC2(C)C)cc1 ZINC000843054502 640257448 /nfs/dbraw/zinc/25/74/48/640257448.db2.gz OODRUNNPFHLGTF-AATRIKPKSA-N 1 0 273.424 2.450 20 10 CECDRO Cc1cc(Cl)cc(CN2CCC[C@@H]2C[NH3+])c1O ZINC000843054636 640257698 /nfs/dbraw/zinc/25/76/98/640257698.db2.gz YKKBVOZYGVALII-GFCCVEGCSA-N 1 0 254.761 2.277 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(N)nc2)cc1 ZINC000843059742 640262834 /nfs/dbraw/zinc/26/28/34/640262834.db2.gz RHZSETFEACNXPH-UHFFFAOYSA-N 1 0 270.380 2.362 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000843121054 640289400 /nfs/dbraw/zinc/28/94/00/640289400.db2.gz ZRQIXWKNUMMDBC-OAJJDEHYSA-N 1 0 285.435 2.451 20 10 CECDRO C[N@H+](Cc1cccc(Br)c1[O-])C1CC([NH3+])C1 ZINC000843124793 640291252 /nfs/dbraw/zinc/29/12/52/640291252.db2.gz GSANLAOADZHNEW-UHFFFAOYSA-N 1 0 285.185 2.076 20 10 CECDRO C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000843129056 640295418 /nfs/dbraw/zinc/29/54/18/640295418.db2.gz LYMHNQONIDBXFC-SFYZADRCSA-N 1 0 260.740 2.400 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000877094160 650569932 /nfs/dbraw/zinc/56/99/32/650569932.db2.gz NRNNIQPPLJLADC-OLZOCXBDSA-N 1 0 260.381 2.415 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CC[NH2+]C2)c1O ZINC000843351540 640399380 /nfs/dbraw/zinc/39/93/80/640399380.db2.gz NYOHDZBFIJJKCU-GFCCVEGCSA-N 1 0 282.771 2.042 20 10 CECDRO CC(=O)c1cc(F)cc(CN(C)CC(C)(C)C[NH3+])c1O ZINC000843355236 640401306 /nfs/dbraw/zinc/40/13/06/640401306.db2.gz NQLFNGGLRICIMP-UHFFFAOYSA-N 1 0 282.359 2.151 20 10 CECDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000843427559 640426992 /nfs/dbraw/zinc/42/69/92/640426992.db2.gz RCCUKZYSZLNDCG-DGCLKSJQSA-N 1 0 267.369 2.288 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)Cc2ccno2)cc1 ZINC000844398755 640707321 /nfs/dbraw/zinc/70/73/21/640707321.db2.gz BLZDKHOZHIKCFX-UHFFFAOYSA-N 1 0 275.352 2.251 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CC[C@@H]2CCOC2)cc1 ZINC000844401897 640708718 /nfs/dbraw/zinc/70/87/18/640708718.db2.gz PPFJKDQVTLBUJA-OAHLLOKOSA-N 1 0 292.423 2.490 20 10 CECDRO Cc1cc(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000877175414 650611122 /nfs/dbraw/zinc/61/11/22/650611122.db2.gz JNFDBKXHJUSZEO-SMDDNHRTSA-N 1 0 298.390 2.051 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1CC[NH3+] ZINC000844902557 640860553 /nfs/dbraw/zinc/86/05/53/640860553.db2.gz QPALCNXJJMNRJU-AAEUAGOBSA-N 1 0 292.379 2.070 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CCC(=O)N(C)C)cc1 ZINC000920207008 641125222 /nfs/dbraw/zinc/12/52/22/641125222.db2.gz SWGVWKHCROYGRE-UHFFFAOYSA-N 1 0 291.439 2.443 20 10 CECDRO C[C@@H](CO)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000846057210 641165750 /nfs/dbraw/zinc/16/57/50/641165750.db2.gz DWGZDBZQNBKOMY-NSHDSACASA-N 1 0 267.344 2.372 20 10 CECDRO O=C1C[C@H](C[NH2+]Cc2cc(Cl)ccc2O)CN1C1CC1 ZINC000846075558 641174979 /nfs/dbraw/zinc/17/49/79/641174979.db2.gz SARBTLSZHXKUFS-SNVBAGLBSA-N 1 0 294.782 2.146 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)CCF)cc1F ZINC000846096634 641179247 /nfs/dbraw/zinc/17/92/47/641179247.db2.gz JGRVFHVJPHPKLF-CYBMUJFWSA-N 1 0 286.366 2.482 20 10 CECDRO OC[C@@H](CCF)[NH2+]Cc1ccc2ccccc2c1O ZINC000846096428 641179797 /nfs/dbraw/zinc/17/97/97/641179797.db2.gz HTIQLYWWAQCEHN-CYBMUJFWSA-N 1 0 263.312 2.356 20 10 CECDRO CN(CC[NH+]1CCCCC1)Cc1cc2c(cc1O)OCO2 ZINC000846115283 641189266 /nfs/dbraw/zinc/18/92/66/641189266.db2.gz UCFKZYWAYYVDGJ-UHFFFAOYSA-N 1 0 292.379 2.039 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCN2CCCC2)c1O ZINC000846138987 641197959 /nfs/dbraw/zinc/19/79/59/641197959.db2.gz ZHBOEHZPRZZZEG-GFCCVEGCSA-N 1 0 264.369 2.147 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC2CCOCC2)c1O ZINC000846142717 641199029 /nfs/dbraw/zinc/19/90/29/641199029.db2.gz VRZKYHYUPHWOCG-NSHDSACASA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(C)n[nH]2)c1O ZINC000846143421 641200826 /nfs/dbraw/zinc/20/08/26/641200826.db2.gz FTDZFKGARBBXBE-SNVBAGLBSA-N 1 0 261.325 2.283 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)c1O ZINC000846157896 641207317 /nfs/dbraw/zinc/20/73/17/641207317.db2.gz PFOWYRPGLCWBLQ-BDAKNGLRSA-N 1 0 293.285 2.365 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC[C@@H]2CCOC2)c1O ZINC000846162720 641208026 /nfs/dbraw/zinc/20/80/26/641208026.db2.gz JDDOXGMMWQPCBP-NWDGAFQWSA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)CC(F)F)c1O ZINC000846164127 641209212 /nfs/dbraw/zinc/20/92/12/641209212.db2.gz FPEPPQLHZAGETC-DTWKUNHWSA-N 1 0 275.295 2.068 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCN2CC=CCC2)c1O ZINC000846166613 641209215 /nfs/dbraw/zinc/20/92/15/641209215.db2.gz BAIYIIBECZQYIO-ZDUSSCGKSA-N 1 0 276.380 2.313 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCCCCO)c1O ZINC000846166607 641209417 /nfs/dbraw/zinc/20/94/17/641209417.db2.gz AWZZSDPYGYPTBW-NSHDSACASA-N 1 0 253.342 2.214 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]Cc2cc(C)nn2C)c1O ZINC000846168116 641210380 /nfs/dbraw/zinc/21/03/80/641210380.db2.gz QZCGNPVJVSSJHW-LLVKDONJSA-N 1 0 275.352 2.294 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000846168835 641210657 /nfs/dbraw/zinc/21/06/57/641210657.db2.gz MOVCUBPQSLTABO-NWDGAFQWSA-N 1 0 289.379 2.416 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1O ZINC000846168447 641210841 /nfs/dbraw/zinc/21/08/41/641210841.db2.gz CTWQEYUAUZGJIG-GHMZBOCLSA-N 1 0 287.363 2.332 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@@]2(O)CCOC2)c(O)c1 ZINC000846192320 641219033 /nfs/dbraw/zinc/21/90/33/641219033.db2.gz HABNSNMPKUNSAK-XJKSGUPXSA-N 1 0 279.380 2.201 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@]2(O)CCCOC2)c1 ZINC000846212481 641224457 /nfs/dbraw/zinc/22/44/57/641224457.db2.gz LRVXAEVZOJZKJJ-CZUORRHYSA-N 1 0 279.380 2.283 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC[C@]2(O)CCCOC2)c(O)c1 ZINC000846212879 641224674 /nfs/dbraw/zinc/22/46/74/641224674.db2.gz NIASVGDXEBVLKQ-XJKSGUPXSA-N 1 0 279.380 2.283 20 10 CECDRO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(F)ccc1O ZINC000846214131 641226299 /nfs/dbraw/zinc/22/62/99/641226299.db2.gz SKEUTHVDMOFDAV-ABAIWWIYSA-N 1 0 283.343 2.114 20 10 CECDRO CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1O ZINC000877257432 650645086 /nfs/dbraw/zinc/64/50/86/650645086.db2.gz PYLOIQRDNCWWEL-WCQYABFASA-N 1 0 264.369 2.333 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@H]([NH3+])C[C@H]2C)c1O ZINC000846707861 641404371 /nfs/dbraw/zinc/40/43/71/641404371.db2.gz ZRNNCBRWFJIJLB-RNCFNFMXSA-N 1 0 280.343 2.046 20 10 CECDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000180057476 641406165 /nfs/dbraw/zinc/40/61/65/641406165.db2.gz FNNQUDVYQJSUAW-CYBMUJFWSA-N 1 0 252.333 2.057 20 10 CECDRO OCCCC[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000180149195 641418426 /nfs/dbraw/zinc/41/84/26/641418426.db2.gz DVZXCCZZWUXWMW-UHFFFAOYSA-N 1 0 253.317 2.268 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000846957609 641499187 /nfs/dbraw/zinc/49/91/87/641499187.db2.gz JPUPOCVUKWFXPH-HNNXBMFYSA-N 1 0 289.423 2.147 20 10 CECDRO COCCCOCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000181520341 641562568 /nfs/dbraw/zinc/56/25/68/641562568.db2.gz QRLITTURZPOBQT-UHFFFAOYSA-N 1 0 280.412 2.238 20 10 CECDRO C[C@H]1CCCN(Cc2ccc(N(C)C)cc2)[C@H]1C[NH3+] ZINC000252173564 641575441 /nfs/dbraw/zinc/57/54/41/641575441.db2.gz OMHOTDWAVXAHRA-BBRMVZONSA-N 1 0 261.413 2.312 20 10 CECDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC000877322419 650675224 /nfs/dbraw/zinc/67/52/24/650675224.db2.gz GJBNAHWVUFUXQS-NSHDSACASA-N 1 0 271.307 2.406 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)OC(C)C)c1 ZINC000182435833 641659656 /nfs/dbraw/zinc/65/96/56/641659656.db2.gz WPZKQYAHDXNIES-NSHDSACASA-N 1 0 281.352 2.393 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(C)ccc1O ZINC000071408186 641762963 /nfs/dbraw/zinc/76/29/63/641762963.db2.gz UXFPDKUXUXSUQT-LBPRGKRZSA-N 1 0 264.369 2.095 20 10 CECDRO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185330428 641966322 /nfs/dbraw/zinc/96/63/22/641966322.db2.gz ATHOBWJJPVMVBB-JSGCOSHPSA-N 1 0 296.386 2.293 20 10 CECDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C1=CC(=O)CS1 ZINC000848392138 641975028 /nfs/dbraw/zinc/97/50/28/641975028.db2.gz VIJOFVITTRAPGC-NWDGAFQWSA-N 1 0 280.393 2.200 20 10 CECDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=CC(=O)CS1 ZINC000848392140 641975197 /nfs/dbraw/zinc/97/51/97/641975197.db2.gz VIJOFVITTRAPGC-VXGBXAGGSA-N 1 0 280.393 2.200 20 10 CECDRO C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000848558326 642052590 /nfs/dbraw/zinc/05/25/90/642052590.db2.gz OSCPPNPPFODKLT-KWCYVHTRSA-N 1 0 260.381 2.309 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000848563520 642055248 /nfs/dbraw/zinc/05/52/48/642055248.db2.gz ULBKEJGOYHOIEW-KFWWJZLASA-N 1 0 292.423 2.288 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c1 ZINC000848565219 642057396 /nfs/dbraw/zinc/05/73/96/642057396.db2.gz VEYJTJQDHDLMPD-NWDGAFQWSA-N 1 0 286.379 2.037 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC2(CO)CCOCC2)c(O)c1 ZINC000186149836 642073838 /nfs/dbraw/zinc/07/38/38/642073838.db2.gz BJOZEORGNYGURP-CYBMUJFWSA-N 1 0 279.380 2.140 20 10 CECDRO CC[NH+](CC)[C@H]1CCN(Cc2c(O)cccc2OC)C1 ZINC000768243124 642091616 /nfs/dbraw/zinc/09/16/16/642091616.db2.gz GGWXCTWFULTDGU-ZDUSSCGKSA-N 1 0 278.396 2.317 20 10 CECDRO COc1c(N)ncnc1NCCCSc1nccs1 ZINC000848665250 642094250 /nfs/dbraw/zinc/09/42/50/642094250.db2.gz QVDOVVHFVGBBSJ-UHFFFAOYSA-N 1 0 297.409 2.118 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1O ZINC000848881213 642167768 /nfs/dbraw/zinc/16/77/68/642167768.db2.gz LZQLKBTWZJPJGU-FZMZJTMJSA-N 1 0 276.380 2.040 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](O)[C@@H](C)CC)c1O ZINC000848894409 642175499 /nfs/dbraw/zinc/17/54/99/642175499.db2.gz FAPGMTFAARWJQB-SMDDNHRTSA-N 1 0 251.370 2.451 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)[C@H](C)N2CCOCC2)c1O ZINC000848894950 642175664 /nfs/dbraw/zinc/17/56/64/642175664.db2.gz ITYNSGJPHARXOJ-KBPBESRZSA-N 1 0 292.423 2.153 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1O ZINC000848897989 642177282 /nfs/dbraw/zinc/17/72/82/642177282.db2.gz NYLWPDGNHKPXOQ-CQSZACIVSA-N 1 0 271.364 2.325 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)c1O ZINC000848904455 642181093 /nfs/dbraw/zinc/18/10/93/642181093.db2.gz UKNUPKZUYFBHRO-OLZOCXBDSA-N 1 0 262.397 2.479 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)c1O ZINC000848905015 642181238 /nfs/dbraw/zinc/18/12/38/642181238.db2.gz FPZSMFCSBDODSS-SMDDNHRTSA-N 1 0 277.364 2.338 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000848908081 642183918 /nfs/dbraw/zinc/18/39/18/642183918.db2.gz MRKSVAVDTTWLQI-DYVFJYSZSA-N 1 0 291.391 2.334 20 10 CECDRO CCc1cccc(C[N@H+](CCOC)[C@@H]2CCOC2)c1O ZINC000848906943 642184015 /nfs/dbraw/zinc/18/40/15/642184015.db2.gz FLJMYJJLZWJKKY-OAHLLOKOSA-N 1 0 279.380 2.192 20 10 CECDRO CCc1cccc(C[NH2+]CCc2nccnc2C)c1O ZINC000848914539 642188883 /nfs/dbraw/zinc/18/88/83/642188883.db2.gz PGWGYGSVXCGZSL-UHFFFAOYSA-N 1 0 271.364 2.385 20 10 CECDRO CCc1cccc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c1O ZINC000848916962 642190711 /nfs/dbraw/zinc/19/07/11/642190711.db2.gz CCDLWSDTTLGMFU-OAHLLOKOSA-N 1 0 290.407 2.444 20 10 CECDRO CC(C)NC(=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921526465 642194432 /nfs/dbraw/zinc/19/44/32/642194432.db2.gz SIFNCNSSBSDNAY-UHFFFAOYSA-N 1 0 276.380 2.016 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C[C@H](C)O)C2CC2)c1 ZINC000848928851 642198974 /nfs/dbraw/zinc/19/89/74/642198974.db2.gz PJRZZCOJZCLZFQ-NSHDSACASA-N 1 0 265.353 2.136 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C[C@@H](C)O)C2CC2)c1 ZINC000848928850 642199503 /nfs/dbraw/zinc/19/95/03/642199503.db2.gz PJRZZCOJZCLZFQ-LLVKDONJSA-N 1 0 265.353 2.136 20 10 CECDRO CCN(CC)c1ccc(CNC(=[NH2+])N2CCC2)cc1 ZINC000848993245 642213270 /nfs/dbraw/zinc/21/32/70/642213270.db2.gz OPMAXFIQOYEMEP-UHFFFAOYSA-N 1 0 260.385 2.263 20 10 CECDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000736680739 642236103 /nfs/dbraw/zinc/23/61/03/642236103.db2.gz RXUNQAUZERHLIV-LLVKDONJSA-N 1 0 299.465 2.226 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000877476272 650739685 /nfs/dbraw/zinc/73/96/85/650739685.db2.gz AALRMHOFMHEIFO-XIKOKIGWSA-N 1 0 267.394 2.044 20 10 CECDRO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC000877491994 650748692 /nfs/dbraw/zinc/74/86/92/650748692.db2.gz DSZUPFDFAZHKHB-BBRMVZONSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c(O)c1 ZINC000877495550 650750540 /nfs/dbraw/zinc/75/05/40/650750540.db2.gz YLSTWCCXUIPOEA-RHSMWYFYSA-N 1 0 291.391 2.471 20 10 CECDRO O[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921738839 642568049 /nfs/dbraw/zinc/56/80/49/642568049.db2.gz UYRUQMARJCADHV-GJZGRUSLSA-N 1 0 261.365 2.405 20 10 CECDRO Cc1ncc(C[NH2+]Cc2ccc3c(c2)CCCN3C)n1C ZINC000850099015 642577995 /nfs/dbraw/zinc/57/79/95/642577995.db2.gz DDGUWSQKZSBVOS-UHFFFAOYSA-N 1 0 284.407 2.401 20 10 CECDRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CO1 ZINC000850347107 642675360 /nfs/dbraw/zinc/67/53/60/642675360.db2.gz NNDHOFZHOAKYKM-IIAWOOMASA-N 1 0 290.407 2.431 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@@H](C)O[C@H]3C)C2)cc1 ZINC000850347862 642675487 /nfs/dbraw/zinc/67/54/87/642675487.db2.gz ZGTQNBKVUUQQHZ-XJIUQZFPSA-N 1 0 290.407 2.429 20 10 CECDRO CCCN1CC[C@H]([NH2+]Cc2ccc(OCC)cc2O)C1 ZINC000850395068 642698356 /nfs/dbraw/zinc/69/83/56/642698356.db2.gz NHBGUXYTMIQCDQ-AWEZNQCLSA-N 1 0 278.396 2.365 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c(O)c1 ZINC000877544415 650779148 /nfs/dbraw/zinc/77/91/48/650779148.db2.gz PJBZGTJFOXUHTF-AWEZNQCLSA-N 1 0 257.337 2.344 20 10 CECDRO CO[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)[C@@H]1CCOC1 ZINC000850484446 642729196 /nfs/dbraw/zinc/72/91/96/642729196.db2.gz IXJOAZXMADLHDI-VNHYZAJKSA-N 1 0 277.364 2.021 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)CCCCO)C2)cc1 ZINC000850489216 642729997 /nfs/dbraw/zinc/72/99/97/642729997.db2.gz RZNIMBLNGRLIGL-LSDHHAIUSA-N 1 0 292.423 2.415 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCn4ccnc43)C2)cc1 ZINC000850489367 642730804 /nfs/dbraw/zinc/73/08/04/642730804.db2.gz XJNJWTBJCWMJDS-CJNGLKHVSA-N 1 0 298.390 2.205 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)c1O ZINC000850546410 642748648 /nfs/dbraw/zinc/74/86/48/642748648.db2.gz LRXZEBHZRGDWHP-DGCLKSJQSA-N 1 0 279.380 2.460 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@H](O)C(F)F ZINC000877561177 650789320 /nfs/dbraw/zinc/78/93/20/650789320.db2.gz IICOKYDCMGLCEL-PWSUYJOCSA-N 1 0 259.296 2.195 20 10 CECDRO Cc1ccc(C[NH2+]C2(CF)CCOCC2)c(O)c1 ZINC000877563064 650791319 /nfs/dbraw/zinc/79/13/19/650791319.db2.gz FWRYLBQUDGXQLS-UHFFFAOYSA-N 1 0 253.317 2.309 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCCO1 ZINC000922078726 642867547 /nfs/dbraw/zinc/86/75/47/642867547.db2.gz GUXAQOKWMQQZTK-WBVHZDCISA-N 1 0 291.391 2.295 20 10 CECDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922110913 642883032 /nfs/dbraw/zinc/88/30/32/642883032.db2.gz SGYOHHZWCLGUTG-HNNXBMFYSA-N 1 0 288.391 2.158 20 10 CECDRO OC1CCN(c2ccc(C[NH+]3CC(C(F)F)C3)cc2)CC1 ZINC000877580164 650799093 /nfs/dbraw/zinc/79/90/93/650799093.db2.gz GCHQRWRPASXPFP-UHFFFAOYSA-N 1 0 296.361 2.345 20 10 CECDRO O[C@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)C(F)F ZINC000922303949 643011890 /nfs/dbraw/zinc/01/18/90/643011890.db2.gz GXZBQCLPXSKAAQ-GFCCVEGCSA-N 1 0 271.307 2.117 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000877603638 650809656 /nfs/dbraw/zinc/80/96/56/650809656.db2.gz RLWMWMLIXWRSNY-ZDUSSCGKSA-N 1 0 284.363 2.177 20 10 CECDRO Cc1ccc(C[NH+]2CCC(C3(O)CC3)CC2)c(O)c1 ZINC000877610694 650813040 /nfs/dbraw/zinc/81/30/40/650813040.db2.gz XLOYEXKKQQNDAH-UHFFFAOYSA-N 1 0 261.365 2.438 20 10 CECDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc(C)cc2O)C1 ZINC000877623108 650818375 /nfs/dbraw/zinc/81/83/75/650818375.db2.gz IVTFPQRRMUHPQD-BMFZPTHFSA-N 1 0 293.407 2.356 20 10 CECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CNC(=O)C1 ZINC000851732318 643132980 /nfs/dbraw/zinc/13/29/80/643132980.db2.gz NWMAGQXUMYGSJD-OAHLLOKOSA-N 1 0 289.423 2.099 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2CCN2C)cc1 ZINC000922576574 643136371 /nfs/dbraw/zinc/13/63/71/643136371.db2.gz UBOWRQVXKQFVPQ-YIEVGGLXSA-N 1 0 259.397 2.060 20 10 CECDRO CC(C)O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000922610767 643161085 /nfs/dbraw/zinc/16/10/85/643161085.db2.gz DMRARUCOJFDERN-QGZVFWFLSA-N 1 0 291.391 2.295 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2Cc3ccccc3N(C)C2=O)c(O)c1 ZINC000877622740 650818833 /nfs/dbraw/zinc/81/88/33/650818833.db2.gz BQQYHZGVOZENKX-OAHLLOKOSA-N 1 0 296.370 2.378 20 10 CECDRO COc1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)on1 ZINC000851902406 643216323 /nfs/dbraw/zinc/21/63/23/643216323.db2.gz QIKDAATZXHCRKP-VIFPVBQESA-N 1 0 278.308 2.248 20 10 CECDRO CC(C)[N@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000851951561 643240115 /nfs/dbraw/zinc/24/01/15/643240115.db2.gz YUDZSYZVWRDYOU-PBHICJAKSA-N 1 0 293.455 2.104 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCc2nccnc2C1 ZINC000877636780 650827680 /nfs/dbraw/zinc/82/76/80/650827680.db2.gz HXIYVEZVIWOHDZ-UHFFFAOYSA-N 1 0 255.321 2.049 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000877641869 650830204 /nfs/dbraw/zinc/83/02/04/650830204.db2.gz CMEVOSXCZWSAIT-UHFFFAOYSA-N 1 0 296.370 2.358 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000877652159 650834685 /nfs/dbraw/zinc/83/46/85/650834685.db2.gz CVFBROJABRPELD-UHFFFAOYSA-N 1 0 292.423 2.026 20 10 CECDRO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H](C)[C@H]1O ZINC000852500065 643445955 /nfs/dbraw/zinc/44/59/55/643445955.db2.gz GGMIPLDHECZDIB-VIKVFOODSA-N 1 0 262.397 2.201 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000877665530 650840803 /nfs/dbraw/zinc/84/08/03/650840803.db2.gz AMLRCYNMRCKMEX-QZTJIDSGSA-N 1 0 299.370 2.325 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ncc[nH]2)cc1 ZINC000877674395 650844504 /nfs/dbraw/zinc/84/45/04/650844504.db2.gz VFZIPKZMURKWPU-ARJAWSKDSA-N 1 0 256.353 2.279 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)cc1 ZINC000852534299 643461426 /nfs/dbraw/zinc/46/14/26/643461426.db2.gz KAJVCGOUFBVWEX-ZBFHGGJFSA-N 1 0 260.381 2.221 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1O ZINC000852669547 643506489 /nfs/dbraw/zinc/50/64/89/643506489.db2.gz PSIWJKVRBRONGK-AAEUAGOBSA-N 1 0 293.338 2.202 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@]1(C)CO ZINC000852701877 643517871 /nfs/dbraw/zinc/51/78/71/643517871.db2.gz GPJNPSRCEIZMJC-CJNGLKHVSA-N 1 0 262.397 2.203 20 10 CECDRO CCc1nnc([C@@H](C)N2CCCc3cc(C[NH3+])ccc32)[nH]1 ZINC000852740960 643527980 /nfs/dbraw/zinc/52/79/80/643527980.db2.gz MPBUSUNAKHTUBO-LLVKDONJSA-N 1 0 285.395 2.340 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(O)c1 ZINC000877694109 650854596 /nfs/dbraw/zinc/85/45/96/650854596.db2.gz ZMSAIISBFNBTLH-NWDGAFQWSA-N 1 0 289.297 2.303 20 10 CECDRO COC(=O)c1coc(C[NH2+]Cc2cccc(C)c2O)c1 ZINC000877699309 650856364 /nfs/dbraw/zinc/85/63/64/650856364.db2.gz GEIMHALCAGASCL-UHFFFAOYSA-N 1 0 275.304 2.370 20 10 CECDRO CC(=O)c1cc(F)cc(CN2[C@H](C)C[NH2+][C@@H](C)[C@@H]2C)c1O ZINC000923446332 643714670 /nfs/dbraw/zinc/71/46/70/643714670.db2.gz YGUGNBAIYUNQHQ-VWYCJHECSA-N 1 0 294.370 2.305 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCOCCF)c1O ZINC000853236985 643718249 /nfs/dbraw/zinc/71/82/49/643718249.db2.gz MPIINPJLNNSHEX-JTQLQIEISA-N 1 0 257.305 2.038 20 10 CECDRO CCn1nccc1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000853239588 643718862 /nfs/dbraw/zinc/71/88/62/643718862.db2.gz IKIOUEHZTADJPL-LLVKDONJSA-N 1 0 275.352 2.468 20 10 CECDRO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1O ZINC000923493817 643737608 /nfs/dbraw/zinc/73/76/08/643737608.db2.gz VYSCOHVESPECLZ-NSHDSACASA-N 1 0 296.798 2.419 20 10 CECDRO CC[C@](C)(C[NH2+]Cc1c(O)cccc1OC)OC ZINC000824744078 643789061 /nfs/dbraw/zinc/78/90/61/643789061.db2.gz ZARHMKNLVZJEAY-CQSZACIVSA-N 1 0 253.342 2.306 20 10 CECDRO O=C1CCC2=C(CC[N@@H+](Cc3cc4c(cc3O)CCC4)C2)N1 ZINC000853519401 643799541 /nfs/dbraw/zinc/79/95/41/643799541.db2.gz BSLDDOAFXARSPM-UHFFFAOYSA-N 1 0 298.386 2.251 20 10 CECDRO C[C@]12COC[C@H]1C[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000853565630 643814753 /nfs/dbraw/zinc/81/47/53/643814753.db2.gz HXTYWEUBEHUYRZ-WBVHZDCISA-N 1 0 273.376 2.349 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cc1C ZINC000853568298 643815219 /nfs/dbraw/zinc/81/52/19/643815219.db2.gz ZMHYKVINDNDPJR-GOEBONIOSA-N 1 0 261.365 2.477 20 10 CECDRO CCOc1cccc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1O ZINC000877743511 650889316 /nfs/dbraw/zinc/88/93/16/650889316.db2.gz KWHPFIOUOMAFIH-HIFRSBDPSA-N 1 0 290.407 2.317 20 10 CECDRO CCOC(=O)CC(C)(C)C[NH2+]Cc1ccc(OC)cc1O ZINC000839066831 644137718 /nfs/dbraw/zinc/13/77/18/644137718.db2.gz IBUKZRNCOAUPLU-UHFFFAOYSA-N 1 0 295.379 2.470 20 10 CECDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000877755750 650899189 /nfs/dbraw/zinc/89/91/89/650899189.db2.gz LVXKAIMYSOWZSE-RSLMWUCJSA-N 1 0 263.337 2.240 20 10 CECDRO CC(=O)NCC1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000754722451 644420454 /nfs/dbraw/zinc/42/04/54/644420454.db2.gz IKQHHSNIQZKJHU-UHFFFAOYSA-N 1 0 290.407 2.357 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@]2(C)CCO[C@H]2C)c1O ZINC000755155664 644481250 /nfs/dbraw/zinc/48/12/50/644481250.db2.gz CNMGZAOMDRAXLP-ZUZCIYMTSA-N 1 0 281.327 2.391 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c(O)c1C ZINC000756544473 644662249 /nfs/dbraw/zinc/66/22/49/644662249.db2.gz ISDYYOKZPGSMFO-DZGCQCFKSA-N 1 0 292.423 2.380 20 10 CECDRO CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000756573837 644670419 /nfs/dbraw/zinc/67/04/19/644670419.db2.gz CMIGFEMMXGAWSP-KZULUSFZSA-N 1 0 269.410 2.428 20 10 CECDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756579493 644671809 /nfs/dbraw/zinc/67/18/09/644671809.db2.gz ZZNPZBKCOPVONT-PXAZEXFGSA-N 1 0 293.407 2.319 20 10 CECDRO COCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756583611 644672196 /nfs/dbraw/zinc/67/21/96/644672196.db2.gz CIMWWDOKVZLHDL-SIVJFFJCSA-N 1 0 297.370 2.457 20 10 CECDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756731953 644687541 /nfs/dbraw/zinc/68/75/41/644687541.db2.gz DTKNRUWXINVLMI-CHWSQXEVSA-N 1 0 267.369 2.403 20 10 CECDRO COC(=O)N1CC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756757804 644689606 /nfs/dbraw/zinc/68/96/06/644689606.db2.gz DPYHNOBYUDUHCY-KCJUWKMLSA-N 1 0 294.326 2.120 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@@H]1CN(C)CCO1 ZINC000756760220 644690451 /nfs/dbraw/zinc/69/04/51/644690451.db2.gz POJOTZQAJKFVPR-RWSFTLGLSA-N 1 0 298.814 2.415 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756782064 644691391 /nfs/dbraw/zinc/69/13/91/644691391.db2.gz MCNPKYNMZFZRJU-KOLCDFICSA-N 1 0 294.370 2.441 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)CC(F)(F)F)c1 ZINC000756994628 644716831 /nfs/dbraw/zinc/71/68/31/644716831.db2.gz UVSJPPWGNHPIEX-JTQLQIEISA-N 1 0 293.285 2.194 20 10 CECDRO COC[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)OC ZINC000757638537 644829973 /nfs/dbraw/zinc/82/99/73/644829973.db2.gz QMVUTPGSBFJIOW-JFGNBEQYSA-N 1 0 283.343 2.331 20 10 CECDRO CCOc1ccc(O)c(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000857226303 644858643 /nfs/dbraw/zinc/85/86/43/644858643.db2.gz KISNRORGNISBMM-XJKSGUPXSA-N 1 0 276.380 2.104 20 10 CECDRO CCOc1cccc(C[NH2+]C2COC(C)(C)OC2)c1O ZINC000758012665 644871205 /nfs/dbraw/zinc/87/12/05/644871205.db2.gz TVNIBCVJQDPJJN-UHFFFAOYSA-N 1 0 281.352 2.032 20 10 CECDRO CN(C)c1cc(F)c(CNCC[NH+]2CCCC2)cc1F ZINC000858088082 645056782 /nfs/dbraw/zinc/05/67/82/645056782.db2.gz PJKMLRKRUVUEER-UHFFFAOYSA-N 1 0 283.366 2.216 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)[C@H](C)O ZINC000858172408 645080423 /nfs/dbraw/zinc/08/04/23/645080423.db2.gz SYYYNJAFVHJIQW-ZANVPECISA-N 1 0 272.339 2.280 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000858232490 645094752 /nfs/dbraw/zinc/09/47/52/645094752.db2.gz YYHPLZGHQCROSH-LBPRGKRZSA-N 1 0 270.323 2.211 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000858295512 645109750 /nfs/dbraw/zinc/10/97/50/645109750.db2.gz DYHNYQFTKFQIAB-IAQYHMDHSA-N 1 0 263.337 2.058 20 10 CECDRO C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Cl)ccc1O ZINC000858434452 645157590 /nfs/dbraw/zinc/15/75/90/645157590.db2.gz HEGFRFHJATTWAY-SKDRFNHKSA-N 1 0 295.770 2.163 20 10 CECDRO Cc1ccc(O)c(CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000858469323 645171208 /nfs/dbraw/zinc/17/12/08/645171208.db2.gz UOKGNCLNJHUAMH-CYBMUJFWSA-N 1 0 293.411 2.229 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)OC)cc1 ZINC000858578126 645207318 /nfs/dbraw/zinc/20/73/18/645207318.db2.gz GZXYKJPDAQGPLM-STQMWFEESA-N 1 0 293.411 2.202 20 10 CECDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000858588230 645215605 /nfs/dbraw/zinc/21/56/05/645215605.db2.gz XNBBJGTUWVJCSB-IQJOONFLSA-N 1 0 296.342 2.078 20 10 CECDRO C[C@H]1C[NH+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000126911318 651000100 /nfs/dbraw/zinc/00/01/00/651000100.db2.gz CZWFGCBTDCDYPQ-GJZGRUSLSA-N 1 0 290.407 2.132 20 10 CECDRO CCOc1ccc(C[NH2+][C@@](C)(CC)CCO)c(O)c1 ZINC000761973272 645344107 /nfs/dbraw/zinc/34/41/07/645344107.db2.gz KSNWYUJEBDKZNR-HNNXBMFYSA-N 1 0 267.369 2.432 20 10 CECDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878241491 651043401 /nfs/dbraw/zinc/04/34/01/651043401.db2.gz GLMKUGLFGKDGOX-HNNXBMFYSA-N 1 0 291.391 2.410 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000765796560 645811028 /nfs/dbraw/zinc/81/10/28/645811028.db2.gz OJPDYWQJHXJIJM-SKDRFNHKSA-N 1 0 282.771 2.050 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CCC(CCO)CC2)c1 ZINC000768241611 646100926 /nfs/dbraw/zinc/10/09/26/646100926.db2.gz XWKIGJLPQCKMFC-UHFFFAOYSA-N 1 0 279.380 2.385 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCCO[C@H](C)C2)c(O)c1 ZINC000769319633 646244024 /nfs/dbraw/zinc/24/40/24/646244024.db2.gz VXJJJQGXDJJJFS-GFCCVEGCSA-N 1 0 265.353 2.402 20 10 CECDRO COc1cccc(O)c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000769331618 646247402 /nfs/dbraw/zinc/24/74/02/646247402.db2.gz UPONPLIZQGLIKD-AWEZNQCLSA-N 1 0 290.407 2.461 20 10 CECDRO OC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccsc1 ZINC000769933412 646336382 /nfs/dbraw/zinc/33/63/82/646336382.db2.gz LOWDFJLEOBTWFR-NSHDSACASA-N 1 0 293.344 2.006 20 10 CECDRO OC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccsc1 ZINC000769933411 646336523 /nfs/dbraw/zinc/33/65/23/646336523.db2.gz LOWDFJLEOBTWFR-LLVKDONJSA-N 1 0 293.344 2.006 20 10 CECDRO CN(C)c1cc(F)c(CN2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000862243383 646377199 /nfs/dbraw/zinc/37/71/99/646377199.db2.gz HWJXTBSHBHDHEM-LBPRGKRZSA-N 1 0 297.393 2.414 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000770745326 646434099 /nfs/dbraw/zinc/43/40/99/646434099.db2.gz GRVDJOIUNBTYMG-NEPJUHHUSA-N 1 0 265.353 2.306 20 10 CECDRO CN(Cc1c(O)cccc1Br)CC1C[NH+](C)C1 ZINC000862412940 646447452 /nfs/dbraw/zinc/44/74/52/646447452.db2.gz DLNKZHVXUBHAPT-UHFFFAOYSA-N 1 0 299.212 2.148 20 10 CECDRO C[C@@H](O)C1([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000862418708 646452657 /nfs/dbraw/zinc/45/26/57/646452657.db2.gz KRKCCELGIFDHSL-MRVPVSSYSA-N 1 0 286.169 2.158 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1CO ZINC000862425496 646456331 /nfs/dbraw/zinc/45/63/31/646456331.db2.gz YEBQUKAOYPJWKF-DGCLKSJQSA-N 1 0 298.377 2.481 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@](C)(CO)c2cccc(O)c2)c1 ZINC000862432451 646457963 /nfs/dbraw/zinc/45/79/63/646457963.db2.gz DJSJCZWVRRDBEZ-QGZVFWFLSA-N 1 0 287.359 2.404 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000862464747 646468656 /nfs/dbraw/zinc/46/86/56/646468656.db2.gz HNXZJFBBSNSTEI-CQSZACIVSA-N 1 0 275.348 2.355 20 10 CECDRO CN(C)c1ccc(CN2CCO[C@H](CCF)C2)cc1F ZINC000862530734 646485949 /nfs/dbraw/zinc/48/59/49/646485949.db2.gz RVIYFBOOKNENEX-CYBMUJFWSA-N 1 0 284.350 2.452 20 10 CECDRO CCOCc1cc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1OC ZINC000863485020 646740674 /nfs/dbraw/zinc/74/06/74/646740674.db2.gz RMAWKRICZOOXKB-CZUORRHYSA-N 1 0 292.423 2.462 20 10 CECDRO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)ccc1O ZINC000863545726 646752810 /nfs/dbraw/zinc/75/28/10/646752810.db2.gz GZHHHVJMLBJENS-FOGDFJRCSA-N 1 0 252.333 2.322 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC000773771036 646774721 /nfs/dbraw/zinc/77/47/21/646774721.db2.gz HQYHHXPLGJEUHY-UHFFFAOYSA-N 1 0 276.380 2.092 20 10 CECDRO CCOc1ccc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(O)c1 ZINC000863653068 646777932 /nfs/dbraw/zinc/77/79/32/646777932.db2.gz ZNDYAHCWQRXRJK-CALCHBBNSA-N 1 0 290.407 2.222 20 10 CECDRO COc1cc(C[N@@H+]2CCOCC[C@@H]2C)c(O)cc1C ZINC000774661160 646874471 /nfs/dbraw/zinc/87/44/71/646874471.db2.gz VYNGGKTYBXOQNJ-LBPRGKRZSA-N 1 0 265.353 2.320 20 10 CECDRO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccccc1O ZINC000775136649 646926080 /nfs/dbraw/zinc/92/60/80/646926080.db2.gz NFSDTXZQOZPRAP-QWHCGFSZSA-N 1 0 265.353 2.238 20 10 CECDRO CC[C@@H]([NH2+]CCCS(=O)(=O)CC)c1ccccc1O ZINC000775411333 646951724 /nfs/dbraw/zinc/95/17/24/646951724.db2.gz DJWXLRZGETWWKJ-CYBMUJFWSA-N 1 0 285.409 2.258 20 10 CECDRO Cc1cc(CNC(N)=[NH2+])c(C)n1-c1cccc(C)c1 ZINC000864356474 646976759 /nfs/dbraw/zinc/97/67/59/646976759.db2.gz PQOZPAZWDTUDMN-UHFFFAOYSA-N 1 0 256.353 2.386 20 10 CECDRO CC[N@@H+](Cc1cc(OC)ccc1O)C[C@H]1CCOC1 ZINC000775653276 646977135 /nfs/dbraw/zinc/97/71/35/646977135.db2.gz CEVQOTHLQKZIEQ-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO CC(C)OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834083 646997721 /nfs/dbraw/zinc/99/77/21/646997721.db2.gz JYAFTWUEWDHDMV-BBRMVZONSA-N 1 0 280.412 2.189 20 10 CECDRO CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834227 646997840 /nfs/dbraw/zinc/99/78/40/646997840.db2.gz MDQQVQDUICWSME-ZDUSSCGKSA-N 1 0 298.452 2.228 20 10 CECDRO CCOc1ccc(C[NH2+]C2(CC(=O)OC)CCC2)c(O)c1 ZINC000777440908 647136850 /nfs/dbraw/zinc/13/68/50/647136850.db2.gz MNBJWWDAWWVVME-UHFFFAOYSA-N 1 0 293.363 2.366 20 10 CECDRO C[NH+]1CCN(c2ccc(CNc3ccccn3)cc2)CC1 ZINC000777507021 647143004 /nfs/dbraw/zinc/14/30/04/647143004.db2.gz MEMMNUNPVPEFKM-UHFFFAOYSA-N 1 0 282.391 2.446 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c(O)c1 ZINC000778216190 647211662 /nfs/dbraw/zinc/21/16/62/647211662.db2.gz KDVLONQKLHPRFG-DOMZBBRYSA-N 1 0 279.380 2.432 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000779026844 647283267 /nfs/dbraw/zinc/28/32/67/647283267.db2.gz ZLAFLZUOCKVFAM-OAHLLOKOSA-N 1 0 295.354 2.301 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1 ZINC000865780687 647462286 /nfs/dbraw/zinc/46/22/86/647462286.db2.gz PSIVTNMJFMUUQI-OAHLLOKOSA-N 1 0 291.391 2.376 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CCCOC2)cc1OC ZINC000780780326 647468931 /nfs/dbraw/zinc/46/89/31/647468931.db2.gz QAZALPJYVWRUPD-RYUDHWBXSA-N 1 0 295.379 2.314 20 10 CECDRO COC[C@@H](C)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000783626939 647740223 /nfs/dbraw/zinc/74/02/23/647740223.db2.gz DCRRYFAUFOAWOD-LBPRGKRZSA-N 1 0 250.386 2.433 20 10 CECDRO COC[C@H](C)CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000783668085 647746331 /nfs/dbraw/zinc/74/63/31/647746331.db2.gz KRYOYYRLBVXBRH-CQSZACIVSA-N 1 0 280.412 2.346 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1[C@@H]3OC[C@H]4C[C@H]1C[C@H]34)CC2 ZINC000866444725 647789394 /nfs/dbraw/zinc/78/93/94/647789394.db2.gz CARSTEFIICMIKE-YYFDJCOCSA-N 1 0 271.360 2.393 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1 ZINC000866463376 647795860 /nfs/dbraw/zinc/79/58/60/647795860.db2.gz NGQLYBXMURKFPW-UBJUHAIHSA-N 1 0 293.285 2.363 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](O)COCC(C)C)c1ccccc1O ZINC000121081746 647808029 /nfs/dbraw/zinc/80/80/29/647808029.db2.gz MWXAUFZKUTZGTH-HIFRSBDPSA-N 1 0 281.396 2.466 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCCCC[C@@H]([NH3+])C2)c1O ZINC000866670949 647863068 /nfs/dbraw/zinc/86/30/68/647863068.db2.gz YTHLMCDUJWIHIK-CQSZACIVSA-N 1 0 294.370 2.437 20 10 CECDRO CC[C@H]([NH2+]Cc1ncnn1CC)c1ccccc1O ZINC000785789925 647957987 /nfs/dbraw/zinc/95/79/87/647957987.db2.gz WHTXPWIOOJAIRW-LBPRGKRZSA-N 1 0 260.341 2.245 20 10 CECDRO COC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)[C@@H]1CCCO1 ZINC000788534685 647999783 /nfs/dbraw/zinc/99/97/83/647999783.db2.gz IEMHULIANNNXDB-HOCLYGCPSA-N 1 0 279.380 2.293 20 10 CECDRO CN(Cc1ccccc1O)C(=O)c1ccc2c[nH+]cn2c1 ZINC000786329877 648001803 /nfs/dbraw/zinc/00/18/03/648001803.db2.gz INLNHALNTGOUTE-UHFFFAOYSA-N 1 0 281.315 2.312 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC[C@@H](OC)C(F)(F)F ZINC000786830224 648049100 /nfs/dbraw/zinc/04/91/00/648049100.db2.gz GTDUWQGVVSRACQ-GFCCVEGCSA-N 1 0 293.285 2.458 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@H]2C)c(O)c1 ZINC000787420840 648107712 /nfs/dbraw/zinc/10/77/12/648107712.db2.gz KYLZOKDNDKSCTL-BXUZGUMPSA-N 1 0 293.363 2.174 20 10 CECDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790976684 648467362 /nfs/dbraw/zinc/46/73/62/648467362.db2.gz LAXOSGXQYXKYGR-NTCNTBNZSA-N 1 0 293.791 2.431 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000792203398 648625213 /nfs/dbraw/zinc/62/52/13/648625213.db2.gz RXGLIZNBEBLNSF-KGLIPLIRSA-N 1 0 275.348 2.053 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@]2(OC)CCOC2)cc1 ZINC000122998046 648722583 /nfs/dbraw/zinc/72/25/83/648722583.db2.gz HAPOXFSVDVWTIK-KRWDZBQOSA-N 1 0 292.423 2.428 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cccnc2F)c1 ZINC000793285445 648736832 /nfs/dbraw/zinc/73/68/32/648736832.db2.gz ONJVYDAYGNWBCY-UHFFFAOYSA-N 1 0 262.284 2.225 20 10 CECDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200955 649030456 /nfs/dbraw/zinc/03/04/56/649030456.db2.gz ODUSKRWRVIFZJV-AWEZNQCLSA-N 1 0 274.364 2.109 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCCCN(C)C2=O)cc1 ZINC000872265451 649334347 /nfs/dbraw/zinc/33/43/47/649334347.db2.gz HVNZOQCNGDSQMQ-INIZCTEOSA-N 1 0 289.423 2.195 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1O ZINC000872311023 649353455 /nfs/dbraw/zinc/35/34/55/649353455.db2.gz WATMVTXXUOVHAY-BNOWGMLFSA-N 1 0 276.380 2.477 20 10 CECDRO CSC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000872627397 649444931 /nfs/dbraw/zinc/44/49/31/649444931.db2.gz BWLQDHRJLHYELM-AWEZNQCLSA-N 1 0 295.404 2.145 20 10 CECDRO CCCOc1ccc(C[NH2+]CC[S@@](C)=O)cc1C ZINC000873053102 649544822 /nfs/dbraw/zinc/54/48/22/649544822.db2.gz FDCNSJRXJKBRIX-GOSISDBHSA-N 1 0 269.410 2.252 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)cc1C ZINC000873141741 649568167 /nfs/dbraw/zinc/56/81/67/649568167.db2.gz JUWBIQZZFZSKTO-RDJZCZTQSA-N 1 0 293.407 2.413 20 10 CECDRO COc1ccc(C[NH2+]CCC[C@H]2CCOC2=O)cc1C ZINC000873163057 649576199 /nfs/dbraw/zinc/57/61/99/649576199.db2.gz RJWDGCKXBNTMLQ-AWEZNQCLSA-N 1 0 277.364 2.437 20 10 CECDRO [NH3+]C[C@@H]1CN(Cc2cccc(F)c2O)C[C@@H]1C(F)(F)F ZINC000873226932 649598831 /nfs/dbraw/zinc/59/88/31/649598831.db2.gz ABMHWWKKIKRCJB-ZJUUUORDSA-N 1 0 292.276 2.100 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)c1ccccn1)c1ccccc1O ZINC000879649775 651335412 /nfs/dbraw/zinc/33/54/12/651335412.db2.gz GTLCKECKKZMDSG-XHDPSFHLSA-N 1 0 258.321 2.171 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)CC1(CO)CCCC1)c1ccccc1O ZINC000879650219 651335684 /nfs/dbraw/zinc/33/56/84/651335684.db2.gz PZKBAANYHMVHOY-ZIAGYGMSSA-N 1 0 293.407 2.347 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000883082285 652358273 /nfs/dbraw/zinc/35/82/73/652358273.db2.gz ATQHAKSNDQEJJX-GFCCVEGCSA-N 1 0 299.317 2.446 20 10 CECDRO CC1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCOCC1 ZINC000131139496 652386314 /nfs/dbraw/zinc/38/63/14/652386314.db2.gz WKZMKEMMKPRRQP-UHFFFAOYSA-N 1 0 290.407 2.182 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1O ZINC000131432191 652425182 /nfs/dbraw/zinc/42/51/82/652425182.db2.gz LDKVJQVRXNNYJJ-WCQYABFASA-N 1 0 264.369 2.103 20 10 CECDRO COC[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000131890416 652479224 /nfs/dbraw/zinc/47/92/24/652479224.db2.gz LWRDNYNVFKEPTM-QWHCGFSZSA-N 1 0 296.386 2.348 20 10 CECDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000132101231 652495378 /nfs/dbraw/zinc/49/53/78/652495378.db2.gz QHRPATLVMCVIOE-HIFRSBDPSA-N 1 0 260.381 2.269 20 10 CECDRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000134591624 652858350 /nfs/dbraw/zinc/85/83/50/652858350.db2.gz LGHPEBDAXGONMA-UHFFFAOYSA-N 1 0 276.380 2.016 20 10 CECDRO Cc1ccc(C)c(NCCc2cc(O)c(O)cc2O)[nH+]1 ZINC001168006973 805664680 /nfs/dbraw/zinc/66/46/80/805664680.db2.gz XZLXNVAOWYXZER-UHFFFAOYSA-N 1 0 274.320 2.470 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@@](C)([NH3+])C2)c(OC)c1 ZINC001204772497 805810020 /nfs/dbraw/zinc/81/00/20/805810020.db2.gz WINPHHLIBWMCRT-QGZVFWFLSA-N 1 0 291.439 2.465 20 10 CECDRO COc1ccc2ccc(O)c(CN3CC[C@@](C)([NH3+])C3)c2c1 ZINC001204801159 806107952 /nfs/dbraw/zinc/10/79/52/806107952.db2.gz KKOMFWMPHFZSTN-QGZVFWFLSA-N 1 0 286.375 2.477 20 10 CECDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(O)c1O)C2 ZINC001168245099 806437610 /nfs/dbraw/zinc/43/76/10/806437610.db2.gz UKMZUTQVXLSTAL-AWEZNQCLSA-N 1 0 285.343 2.363 20 10 CECDRO CN(CC[NH+]1CCCC1)Cc1cccc(F)c1O ZINC000160231430 806862575 /nfs/dbraw/zinc/86/25/75/806862575.db2.gz VWGWKQOAPROCBN-UHFFFAOYSA-N 1 0 252.333 2.059 20 10 CECDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CCC1 ZINC000922236715 809073600 /nfs/dbraw/zinc/07/36/00/809073600.db2.gz DMRGFDPVJRWDLJ-OAHLLOKOSA-N 1 0 261.365 2.262 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCOC2(C)C)c1 ZINC000693079803 802642132 /nfs/dbraw/zinc/64/21/32/802642132.db2.gz QEYYBNZKDILRII-LBPRGKRZSA-N 1 0 265.353 2.306 20 10 CECDRO CC[NH+]1C[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@@H]2C1 ZINC001140468608 802964694 /nfs/dbraw/zinc/96/46/94/802964694.db2.gz QHMQJTMKJKTZLQ-STQMWFEESA-N 1 0 280.799 2.429 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000724604413 803194577 /nfs/dbraw/zinc/19/45/77/803194577.db2.gz PQRUIKKWDGNGMO-FOCJUVANSA-N 1 0 277.364 2.155 20 10 CECDRO CCC(=O)NC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140620868 803244785 /nfs/dbraw/zinc/24/47/85/803244785.db2.gz CIPBCQWDPIMTBM-UHFFFAOYSA-N 1 0 276.380 2.191 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](CCO)C2CCCC2)c1 ZINC000725075694 803422289 /nfs/dbraw/zinc/42/22/89/803422289.db2.gz AMKLLNZWZFVPEM-OAHLLOKOSA-N 1 0 279.380 2.432 20 10 CECDRO COC[C@H](CC[NH2+][C@@H](C)c1cc(OC)ccc1O)OC ZINC000694363092 803540207 /nfs/dbraw/zinc/54/02/07/803540207.db2.gz XYAIOXXBKBVNIO-AAEUAGOBSA-N 1 0 283.368 2.103 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)[C@H](C)O ZINC000395246915 803671564 /nfs/dbraw/zinc/67/15/64/803671564.db2.gz ARFWSYLZKTVYAV-NRUUGDAUSA-N 1 0 253.342 2.211 20 10 CECDRO Oc1ccc(OCc2ccccc2)cc1CN1CC[NH2+]CC1 ZINC001204637722 803732672 /nfs/dbraw/zinc/73/26/72/803732672.db2.gz HFDZXPVYKYQOGD-UHFFFAOYSA-N 1 0 298.386 2.376 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CCC[C@@]1(C)O ZINC001141156689 803758480 /nfs/dbraw/zinc/75/84/80/803758480.db2.gz QTOKHTWGYLOMMY-IAQYHMDHSA-N 1 0 265.353 2.081 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1 ZINC000692809492 803929337 /nfs/dbraw/zinc/92/93/37/803929337.db2.gz XGZXIBGSARCLDV-UHFFFAOYSA-N 1 0 297.420 2.005 20 10 CECDRO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000722295806 804232079 /nfs/dbraw/zinc/23/20/79/804232079.db2.gz VJXJLDQWGZKZMQ-YOEHRIQHSA-N 1 0 273.424 2.327 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)c1 ZINC000722334332 804302213 /nfs/dbraw/zinc/30/22/13/804302213.db2.gz SSPSWAOLPCBCSK-GDBMZVCRSA-N 1 0 277.364 2.448 20 10 CECDRO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccns1 ZINC000715930038 815008159 /nfs/dbraw/zinc/00/81/59/815008159.db2.gz GJTJPDTWVBLXGD-QMMMGPOBSA-N 1 0 278.333 2.428 20 10 CECDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000037126692 815011848 /nfs/dbraw/zinc/01/18/48/815011848.db2.gz IIXJBYKTXVYSRF-NEPJUHHUSA-N 1 0 264.369 2.300 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCCN(C)C1=O ZINC001118797351 815046214 /nfs/dbraw/zinc/04/62/14/815046214.db2.gz HMSVCAJKRZYEDZ-AGIUHOORSA-N 1 0 288.391 2.459 20 10 CECDRO COc1cc(N(C)C)ccc1C[NH+]1CC([C@@H](C)OC)C1 ZINC001231857365 807194478 /nfs/dbraw/zinc/19/44/78/807194478.db2.gz HXPIVUPKKBNNPW-GFCCVEGCSA-N 1 0 278.396 2.228 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@@H]1CO ZINC001232260962 807237537 /nfs/dbraw/zinc/23/75/37/807237537.db2.gz ULCYTCBWUOBLME-BXKDBHETSA-N 1 0 285.771 2.344 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)CN(C)C(C)C)c1O ZINC000388297183 807649427 /nfs/dbraw/zinc/64/94/27/807649427.db2.gz ZEDHMMROJUYRDH-LBPRGKRZSA-N 1 0 266.385 2.219 20 10 CECDRO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccc(N(C)C)cc1 ZINC000716699070 815143320 /nfs/dbraw/zinc/14/33/20/815143320.db2.gz OWGFWCJQSDVDIF-GXFFZTMASA-N 1 0 272.339 2.419 20 10 CECDRO Cc1cc(O)c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)cc1Cl ZINC001235986838 807906566 /nfs/dbraw/zinc/90/65/66/807906566.db2.gz CXTXWMIRRGIPQA-SMDDNHRTSA-N 1 0 266.772 2.277 20 10 CECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(OC)ccc1O ZINC000716915422 815159927 /nfs/dbraw/zinc/15/99/27/815159927.db2.gz KJYWECTXIMETTL-PWSUYJOCSA-N 1 0 253.342 2.040 20 10 CECDRO CC(C)(C)c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236293627 808051975 /nfs/dbraw/zinc/05/19/75/808051975.db2.gz OPIXDSDYJJVAPG-GXTWGEPZSA-N 1 0 260.381 2.093 20 10 CECDRO Cc1cc(F)cc(CN2CC[NH+](C3CC3)CC2)c1O ZINC001238059013 808292562 /nfs/dbraw/zinc/29/25/62/808292562.db2.gz XOXMHLQGTHMVDD-UHFFFAOYSA-N 1 0 264.344 2.120 20 10 CECDRO COCCOCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921512179 808536883 /nfs/dbraw/zinc/53/68/83/808536883.db2.gz INTLLXGEOVZLGD-UHFFFAOYSA-N 1 0 279.380 2.154 20 10 CECDRO Oc1ccc(C[NH2+][C@H]2Cc3cccc(F)c3C2)c(O)c1 ZINC001171778873 815231904 /nfs/dbraw/zinc/23/19/04/815231904.db2.gz XFXRDBGBFVFDCS-LBPRGKRZSA-N 1 0 273.307 2.494 20 10 CECDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116511793 808832081 /nfs/dbraw/zinc/83/20/81/808832081.db2.gz BMMANIVACGVAGE-HOCLYGCPSA-N 1 0 274.408 2.490 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]2SC)c1 ZINC000701991716 809483510 /nfs/dbraw/zinc/48/35/10/809483510.db2.gz FBPCCXLDXIKABV-DGCLKSJQSA-N 1 0 253.367 2.384 20 10 CECDRO COc1ccc(C[NH2+]Cc2cccnc2C)c(O)c1 ZINC000705570097 809783831 /nfs/dbraw/zinc/78/38/31/809783831.db2.gz MXUSMYZAWFDYSY-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO C[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)CO1 ZINC000706835615 809856960 /nfs/dbraw/zinc/85/69/60/809856960.db2.gz CEMZIDMGYNCVSM-IUCAKERBSA-N 1 0 286.169 2.422 20 10 CECDRO CCC[C@@H](O)C[NH2+]Cc1c(O)cccc1Br ZINC000706875333 809859568 /nfs/dbraw/zinc/85/95/68/809859568.db2.gz VKFPIMKIACOROG-SECBINFHSA-N 1 0 288.185 2.405 20 10 CECDRO COc1ccc(C[NH2+]C2CC(SC)C2)c(O)c1 ZINC000708311593 809926250 /nfs/dbraw/zinc/92/62/50/809926250.db2.gz UNAWCQOTXKYHSV-UHFFFAOYSA-N 1 0 253.367 2.384 20 10 CECDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)CO1 ZINC000711220641 810050456 /nfs/dbraw/zinc/05/04/56/810050456.db2.gz UKTNMKBOMIAIQA-RYUDHWBXSA-N 1 0 251.326 2.058 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c1O ZINC000387963103 810385092 /nfs/dbraw/zinc/38/50/92/810385092.db2.gz ROCFHGGQSOFJKG-YPMHNXCESA-N 1 0 265.353 2.042 20 10 CECDRO CC(C)C[C@](C)(C[NH3+])C(=O)NCc1ccccc1O ZINC001122026979 815378914 /nfs/dbraw/zinc/37/89/14/815378914.db2.gz GZOFINPKRHRPFM-OAHLLOKOSA-N 1 0 264.369 2.020 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)[C@H]2CCCCO2)c1O ZINC000379238198 810689484 /nfs/dbraw/zinc/68/94/84/810689484.db2.gz UPQMCZCBJOEORJ-WCQYABFASA-N 1 0 265.353 2.448 20 10 CECDRO C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC001122257893 815396645 /nfs/dbraw/zinc/39/66/45/815396645.db2.gz FDOZRCXZWCDYET-XHDPSFHLSA-N 1 0 280.343 2.055 20 10 CECDRO [NH3+][C@H](C(=O)NCc1c(O)cccc1F)C1CCCCCC1 ZINC001122258263 815397384 /nfs/dbraw/zinc/39/73/84/815397384.db2.gz PLEDNTJDCKZSKG-HNNXBMFYSA-N 1 0 294.370 2.445 20 10 CECDRO COc1cc(C)cc(CN2CC[NH+](CC(C)C)CC2)c1O ZINC000119989436 810793838 /nfs/dbraw/zinc/79/38/38/810793838.db2.gz LXTPVDVWHGIVRF-UHFFFAOYSA-N 1 0 292.423 2.483 20 10 CECDRO C[C@H]1[NH2+]CCN(Cc2cc(Br)ccc2O)[C@@H]1C ZINC000379503399 811050348 /nfs/dbraw/zinc/05/03/48/811050348.db2.gz YJPVVQOTXFBZKE-NXEZZACHSA-N 1 0 299.212 2.337 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCOC1 ZINC000691430140 811659913 /nfs/dbraw/zinc/65/99/13/811659913.db2.gz RSHDWOJUIVWBGV-LLVKDONJSA-N 1 0 286.169 2.423 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](C)CCCO)c1O ZINC000691523006 812001777 /nfs/dbraw/zinc/00/17/77/812001777.db2.gz NOXAHXMDQQJOGU-GFCCVEGCSA-N 1 0 251.370 2.453 20 10 CECDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2O)CC1 ZINC001172791625 815522870 /nfs/dbraw/zinc/52/28/70/815522870.db2.gz MITQGXNRSPFEIB-WCQYABFASA-N 1 0 293.363 2.309 20 10 CECDRO CN(Cc1cc(Cl)ccc1O)C1(C[NH3+])CCC1 ZINC000385205897 813130539 /nfs/dbraw/zinc/13/05/39/813130539.db2.gz OYKFXULPRXNFFT-UHFFFAOYSA-N 1 0 254.761 2.359 20 10 CECDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000386248200 813162107 /nfs/dbraw/zinc/16/21/07/813162107.db2.gz IUGXPYFKSCWXTH-XHDPSFHLSA-N 1 0 295.354 2.327 20 10 CECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@H]1CCCOC1 ZINC000389002322 813245975 /nfs/dbraw/zinc/24/59/75/813245975.db2.gz QWIASQQLNINFFD-MNOVXSKESA-N 1 0 279.336 2.026 20 10 CECDRO CO[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000393483556 813315642 /nfs/dbraw/zinc/31/56/42/813315642.db2.gz RTIXFJPPNNHVNF-KRWDZBQOSA-N 1 0 290.407 2.038 20 10 CECDRO CC[C@H](C)[N@H+](CCO)Cc1cc(F)cc(C(C)=O)c1O ZINC000394400214 813394605 /nfs/dbraw/zinc/39/46/05/813394605.db2.gz KSZFGNORFXAAIS-JTQLQIEISA-N 1 0 283.343 2.327 20 10 CECDRO COCCCC[N@H+](C)Cc1cc(OC)ccc1O ZINC000397213335 813604838 /nfs/dbraw/zinc/60/48/38/813604838.db2.gz YTMHVMWMVWVWJV-UHFFFAOYSA-N 1 0 253.342 2.259 20 10 CECDRO COCCC(C)(C)[NH2+]Cc1cc(OC)ccc1O ZINC000397925048 813646939 /nfs/dbraw/zinc/64/69/39/813646939.db2.gz QNXBLKVJPLNHJH-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO COc1cc(C[NH2+]Cc2ccc(OC)cc2O)sn1 ZINC000399150747 813700250 /nfs/dbraw/zinc/70/02/50/813700250.db2.gz XSPDHRILZZWWLH-UHFFFAOYSA-N 1 0 280.349 2.156 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(O)cn2)cc1 ZINC001144262964 814006387 /nfs/dbraw/zinc/00/63/87/814006387.db2.gz KHAONHRIRRBCEN-UHFFFAOYSA-N 1 0 271.364 2.485 20 10 CECDRO CCCC[N@H+](CC(N)=O)Cc1cccc(CC)c1O ZINC000692083759 814602848 /nfs/dbraw/zinc/60/28/48/814602848.db2.gz AFTXTMKXRXKIFW-UHFFFAOYSA-N 1 0 264.369 2.042 20 10 CECDRO Oc1ccc(CC[NH2+][C@H]2CCc3ncsc3C2)cc1O ZINC001173123235 815587760 /nfs/dbraw/zinc/58/77/60/815587760.db2.gz BCHHAFVZNLJENL-NSHDSACASA-N 1 0 290.388 2.244 20 10 CECDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000712555783 814765979 /nfs/dbraw/zinc/76/59/79/814765979.db2.gz HIJWXMFMQVIHCI-XJKSGUPXSA-N 1 0 261.413 2.497 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001116444088 814854074 /nfs/dbraw/zinc/85/40/74/814854074.db2.gz QDYJVIYBEUIIAG-SWLSCSKDSA-N 1 0 277.364 2.402 20 10 CECDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC001138122489 815731522 /nfs/dbraw/zinc/73/15/22/815731522.db2.gz IQYBWOJAKONZMI-QWRGUYRKSA-N 1 0 253.317 2.124 20 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WCBSIHKDBQIWST-QMTHXVAHSA-N 1 0 253.317 2.124 20 10 CECDRO COCC[NH+](CCOC)Cc1c(C)ccc(C)c1O ZINC001140179619 816204122 /nfs/dbraw/zinc/20/41/22/816204122.db2.gz GYDVFDBTCITGMU-UHFFFAOYSA-N 1 0 267.369 2.104 20 10 CECDRO CC[N@H+](CCN(C)C)Cc1c(C)ccc(C)c1O ZINC001140179243 816204383 /nfs/dbraw/zinc/20/43/83/816204383.db2.gz CWABQVKKARNDPJ-UHFFFAOYSA-N 1 0 250.386 2.393 20 10 CECDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179029 816204599 /nfs/dbraw/zinc/20/45/99/816204599.db2.gz FJNDCFGJZGZPEH-CQSZACIVSA-N 1 0 276.380 2.110 20 10 CECDRO COC(=O)CC1C[NH+](Cc2c(C)ccc(C)c2O)C1 ZINC001140182714 816205276 /nfs/dbraw/zinc/20/52/76/816205276.db2.gz XWQBRPJLJBGNFK-UHFFFAOYSA-N 1 0 263.337 2.004 20 10 CECDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001140462660 816260263 /nfs/dbraw/zinc/26/02/63/816260263.db2.gz KTCRQGGKMQRLMP-DGCLKSJQSA-N 1 0 253.729 2.409 20 10 CECDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140465689 816262282 /nfs/dbraw/zinc/26/22/82/816262282.db2.gz RISGFOQCTAYYPK-JOYOIKCWSA-N 1 0 255.745 2.391 20 10 CECDRO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cc(C)ccc1O ZINC001140620476 816306518 /nfs/dbraw/zinc/30/65/18/816306518.db2.gz PSBCSOCLTDNPSV-YIONKMFJSA-N 1 0 277.364 2.079 20 10 CECDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CC=CC1 ZINC001140660292 816315842 /nfs/dbraw/zinc/31/58/42/816315842.db2.gz NJZODUUBJXXZIY-UHFFFAOYSA-N 1 0 262.328 2.034 20 10 CECDRO Fc1cc(N2CCOCC2)ccc1C[NH+]1CCCC1 ZINC001140662561 816316510 /nfs/dbraw/zinc/31/65/10/816316510.db2.gz YQINDSAECDDVRY-UHFFFAOYSA-N 1 0 264.344 2.258 20 10 CECDRO CCC[N@H+](CCOC)Cc1ccc(O)c(C)c1O ZINC001140742689 816339128 /nfs/dbraw/zinc/33/91/28/816339128.db2.gz VKRXBYBFSQVYIL-UHFFFAOYSA-N 1 0 253.342 2.265 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c1O ZINC001140744297 816339650 /nfs/dbraw/zinc/33/96/50/816339650.db2.gz SLSMXJJRZVVQRA-HNNXBMFYSA-N 1 0 283.343 2.093 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c1O ZINC001140744103 816339999 /nfs/dbraw/zinc/33/99/99/816339999.db2.gz LZTMEOVALQHHKV-RISCZKNCSA-N 1 0 263.337 2.017 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC001140743955 816340186 /nfs/dbraw/zinc/34/01/86/816340186.db2.gz GHYSENJIUFPJHK-MRXNPFEDSA-N 1 0 277.364 2.409 20 10 CECDRO Cc1c(O)ccc(CN2CC[C@H]([N@H+](C)C3CC3)C2)c1O ZINC001140747509 816341796 /nfs/dbraw/zinc/34/17/96/816341796.db2.gz CJYHRHSVTLWTFX-AWEZNQCLSA-N 1 0 276.380 2.075 20 10 CECDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749422 816342838 /nfs/dbraw/zinc/34/28/38/816342838.db2.gz YYLVWADWRWZGMJ-GXFFZTMASA-N 1 0 293.363 2.037 20 10 CECDRO Cc1c(O)ccc(CN(C)Cc2nccs2)c1O ZINC001140749377 816343121 /nfs/dbraw/zinc/34/31/21/816343121.db2.gz XKEYKJPOCRPGPU-UHFFFAOYSA-N 1 0 264.350 2.495 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2CO)c(O)c1 ZINC001140850162 816383160 /nfs/dbraw/zinc/38/31/60/816383160.db2.gz FQBWVFDVJIQKOA-HNNXBMFYSA-N 1 0 278.396 2.195 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c(O)c1 ZINC001140850514 816383461 /nfs/dbraw/zinc/38/34/61/816383461.db2.gz NOIQFRXZHUXGHE-MRXNPFEDSA-N 1 0 278.396 2.195 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC001140921580 816411118 /nfs/dbraw/zinc/41/11/18/816411118.db2.gz IRHOBKCGVIUZRC-GFCCVEGCSA-N 1 0 295.814 2.103 20 10 CECDRO Cc1ccc(C[NH+]2CCC(N3CCC3)CC2)c(O)c1 ZINC001140953560 816424627 /nfs/dbraw/zinc/42/46/27/816424627.db2.gz BORHJTIVDKYPQG-UHFFFAOYSA-N 1 0 260.381 2.371 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CO)CC2)c(OC)c1 ZINC001141032115 816452751 /nfs/dbraw/zinc/45/27/51/816452751.db2.gz SZENDXLGUBEUCT-GFCCVEGCSA-N 1 0 295.379 2.004 20 10 CECDRO COc1cc(O)c(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c(OC)c1 ZINC001141032399 816453148 /nfs/dbraw/zinc/45/31/48/816453148.db2.gz ANCNBGSBOKHKMZ-VXGBXAGGSA-N 1 0 295.379 2.409 20 10 CECDRO COc1cc(O)c(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c(OC)c1 ZINC001141032397 816453210 /nfs/dbraw/zinc/45/32/10/816453210.db2.gz ANCNBGSBOKHKMZ-NWDGAFQWSA-N 1 0 295.379 2.409 20 10 CECDRO CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141143889 816485208 /nfs/dbraw/zinc/48/52/08/816485208.db2.gz MOXCAYQDKGNHGK-INIZCTEOSA-N 1 0 290.407 2.372 20 10 CECDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141141139 816485709 /nfs/dbraw/zinc/48/57/09/816485709.db2.gz UNOXZSDIKSFOKU-DZGCQCFKSA-N 1 0 290.407 2.108 20 10 CECDRO CC(C)[N@H+](CCCO)Cc1ccc2c(c1)OCCN2C ZINC001141142819 816485831 /nfs/dbraw/zinc/48/58/31/816485831.db2.gz BVNQXQRARPYBOE-UHFFFAOYSA-N 1 0 278.396 2.108 20 10 CECDRO CCO[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159015 816490788 /nfs/dbraw/zinc/49/07/88/816490788.db2.gz VZOZKEAMQQDQGK-CYBMUJFWSA-N 1 0 251.326 2.099 20 10 CECDRO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(O)ccc1O ZINC001141161843 816492080 /nfs/dbraw/zinc/49/20/80/816492080.db2.gz ZZGGQMHYWBXULN-UHFFFAOYSA-N 1 0 287.315 2.459 20 10 CECDRO CC1(CO)C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839145667 816563653 /nfs/dbraw/zinc/56/36/53/816563653.db2.gz PFDPQXACUOIHEC-UHFFFAOYSA-N 1 0 274.408 2.491 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+](C)CC2(O)CCCC2)c1O ZINC000124243794 365648154 /nfs/dbraw/zinc/64/81/54/365648154.db2.gz MTENDANSCNMSDJ-UHFFFAOYSA-N 1 0 295.354 2.471 20 10 CECDRO COC(=O)CCCCC[NH2+]Cc1ccccc1O ZINC000083385025 178391518 /nfs/dbraw/zinc/39/15/18/178391518.db2.gz AWXKQXCXCXVYAY-UHFFFAOYSA-N 1 0 251.326 2.215 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[N@H+](C)C(C)C ZINC000063465365 343677754 /nfs/dbraw/zinc/67/77/54/343677754.db2.gz BXCKBPZZSNIBLB-UHFFFAOYSA-N 1 0 291.439 2.441 20 10 CECDRO COc1cccc(C[N@H+](C)[C@H](CO)C(C)(C)C)c1O ZINC000093837348 344230305 /nfs/dbraw/zinc/23/03/05/344230305.db2.gz LWZOBIXVANCSPE-CYBMUJFWSA-N 1 0 267.369 2.240 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000093870481 344231538 /nfs/dbraw/zinc/23/15/38/344231538.db2.gz QOTHDXCLCIDDPQ-AWEZNQCLSA-N 1 0 285.391 2.499 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000092471072 344191255 /nfs/dbraw/zinc/19/12/55/344191255.db2.gz GFPBKJGKHQRQTN-MRXNPFEDSA-N 1 0 262.397 2.490 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000294938940 539497607 /nfs/dbraw/zinc/49/76/07/539497607.db2.gz VBDAWZKRCHVJGZ-KLPPZKSPSA-N 1 0 288.313 2.384 20 10 CECDRO COc1cccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1O ZINC000134124002 366289166 /nfs/dbraw/zinc/28/91/66/366289166.db2.gz WULYKDYMQUJTIZ-HNNXBMFYSA-N 1 0 290.407 2.461 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)OC[C@@H]2C)c1 ZINC000217779306 538888042 /nfs/dbraw/zinc/88/80/42/538888042.db2.gz FASLEKXTSXJBQP-QWRGUYRKSA-N 1 0 251.326 2.010 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000151623117 366655654 /nfs/dbraw/zinc/65/56/54/366655654.db2.gz XPPWGTRSXKXLCG-ZDUSSCGKSA-N 1 0 277.364 2.394 20 10 CECDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)Cc1ccccc1 ZINC000111235472 364725024 /nfs/dbraw/zinc/72/50/24/364725024.db2.gz ATHODBQZUJFLRK-MRXNPFEDSA-N 1 0 271.360 2.428 20 10 CECDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(F)c1O ZINC000160247426 366985556 /nfs/dbraw/zinc/98/55/56/366985556.db2.gz QRWBOWLVPZGMEJ-DGCLKSJQSA-N 1 0 264.344 2.200 20 10 CECDRO CCOCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000161878766 367118727 /nfs/dbraw/zinc/11/87/27/367118727.db2.gz GKMLSVBVAYJOAC-AWEZNQCLSA-N 1 0 278.396 2.210 20 10 CECDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)Cc1ccccc1O ZINC000171077333 367472956 /nfs/dbraw/zinc/47/29/56/367472956.db2.gz YTQORZORULDCFD-CYBMUJFWSA-N 1 0 293.411 2.264 20 10 CECDRO Cc1cccc(C[NH+]2CCN(Cc3ccccn3)CC2)c1O ZINC000179628083 368345081 /nfs/dbraw/zinc/34/50/81/368345081.db2.gz PREAKWWMGNFNMR-UHFFFAOYSA-N 1 0 297.402 2.413 20 10 CECDRO C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccccc1O ZINC000179885039 368356719 /nfs/dbraw/zinc/35/67/19/368356719.db2.gz VPTBCHOUTHXVDG-LBPRGKRZSA-N 1 0 259.353 2.409 20 10 CECDRO CCCCC[N@H+](CC(N)=O)Cc1cc(C)c(C)cc1O ZINC000180809044 368397039 /nfs/dbraw/zinc/39/70/39/368397039.db2.gz BVNUUZNFXBOUKJ-UHFFFAOYSA-N 1 0 278.396 2.487 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC000180426155 368381884 /nfs/dbraw/zinc/38/18/84/368381884.db2.gz NTUCBTFEAQGICQ-CQSZACIVSA-N 1 0 263.337 2.012 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)O[C@H](COC)C2)c1 ZINC000188391439 369349446 /nfs/dbraw/zinc/34/94/46/369349446.db2.gz TYBFXEYQZACIBL-DOMZBBRYSA-N 1 0 295.379 2.027 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H](OCCOC)C2)c1O ZINC000188812560 369412212 /nfs/dbraw/zinc/41/22/12/369412212.db2.gz SIHWOYAZPNIJAZ-CQSZACIVSA-N 1 0 295.379 2.028 20 10 CECDRO CC[C@@]1(CO)CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000190211576 369604982 /nfs/dbraw/zinc/60/49/82/369604982.db2.gz FTNHNUWSDLWPJO-MRXNPFEDSA-N 1 0 279.380 2.385 20 10 CECDRO CCN(C(=O)C1=CC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000637931131 370178620 /nfs/dbraw/zinc/17/86/20/370178620.db2.gz DIZWYCVLWDBQAE-GFCCVEGCSA-N 1 0 260.337 2.096 20 10 CECDRO [NH3+][C@@H]1CC=C(C(=O)N2C[C@@H]3CCCN3c3ccccc32)C1 ZINC000638076616 370283362 /nfs/dbraw/zinc/28/33/62/370283362.db2.gz ZMSDYBHWPOKUBT-KGLIPLIRSA-N 1 0 283.375 2.050 20 10 CECDRO CC[C@@H](C(=O)N(C)Cc1ccccc1O)[NH+](CC)CC ZINC000267349068 372069817 /nfs/dbraw/zinc/06/98/17/372069817.db2.gz GBQSZNHMVQCHMC-AWEZNQCLSA-N 1 0 278.396 2.471 20 10 CECDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268724204 372196485 /nfs/dbraw/zinc/19/64/85/372196485.db2.gz PZZCORSIGQERLK-TZMCWYRMSA-N 1 0 296.386 2.084 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN([C@@H](C)CO)CC1 ZINC000367306774 373147629 /nfs/dbraw/zinc/14/76/29/373147629.db2.gz AMPCXIISNYKRNS-HOCLYGCPSA-N 1 0 292.423 2.232 20 10 CECDRO COc1cccc(C[N@@H+]2CCC3(C2)CCOCC3)c1O ZINC000271231271 373184964 /nfs/dbraw/zinc/18/49/64/373184964.db2.gz UKBNCTVGABJEMU-UHFFFAOYSA-N 1 0 277.364 2.403 20 10 CECDRO C[N@H+]1CC=C(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000271765109 373200288 /nfs/dbraw/zinc/20/02/88/373200288.db2.gz AGEJTFQPCFRLOO-UHFFFAOYSA-N 1 0 266.772 2.397 20 10 CECDRO COc1cccc(C[NH2+]Cc2cnc3n2CCCC3)c1O ZINC000368493997 373242125 /nfs/dbraw/zinc/24/21/25/373242125.db2.gz DMIYJYIKYYDDJI-UHFFFAOYSA-N 1 0 287.363 2.223 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCOC2)c1 ZINC000273412864 373754775 /nfs/dbraw/zinc/75/47/75/373754775.db2.gz QEVIAIVYXAHOBR-NWDGAFQWSA-N 1 0 293.363 2.256 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)c(O)c1C ZINC000273402679 373755457 /nfs/dbraw/zinc/75/54/57/373755457.db2.gz NRAIYCOIFJWSTP-GFCCVEGCSA-N 1 0 264.369 2.184 20 10 CECDRO CCn1cnnc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273395080 373755536 /nfs/dbraw/zinc/75/55/36/373755536.db2.gz LUNSUSWIZUVSBZ-LBPRGKRZSA-N 1 0 274.368 2.471 20 10 CECDRO CCn1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000273450646 373757670 /nfs/dbraw/zinc/75/76/70/373757670.db2.gz FWQHPDXGPXFYMO-NSHDSACASA-N 1 0 275.352 2.468 20 10 CECDRO COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000273604689 373767175 /nfs/dbraw/zinc/76/71/75/373767175.db2.gz SVOUTIAQPNFXPD-KGLIPLIRSA-N 1 0 278.396 2.072 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc1 ZINC000371489302 373899796 /nfs/dbraw/zinc/89/97/96/373899796.db2.gz 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ZINC000289336347 376390724 /nfs/dbraw/zinc/39/07/24/376390724.db2.gz HHMWPSGSINSEPX-INIZCTEOSA-N 1 0 277.364 2.082 20 10 CECDRO CC[N@@H+](Cc1cc(OC)ccc1O)C[C@H](C)OC ZINC000291083600 377063969 /nfs/dbraw/zinc/06/39/69/377063969.db2.gz OAEABHLBBXYZDW-NSHDSACASA-N 1 0 253.342 2.258 20 10 CECDRO Cc1cc(C[N@H+](C)CCCCO)ccc1N(C)C ZINC000294511429 377992013 /nfs/dbraw/zinc/99/20/13/377992013.db2.gz IRJDTQLIXKGZFA-UHFFFAOYSA-N 1 0 250.386 2.265 20 10 CECDRO COC[C@H](O)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000294650399 378002552 /nfs/dbraw/zinc/00/25/52/378002552.db2.gz GSYYZPOKPBDWCJ-QWHCGFSZSA-N 1 0 267.369 2.057 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@]23C[C@H]2COC3(C)C)c1 ZINC000529640773 380181445 /nfs/dbraw/zinc/18/14/45/380181445.db2.gz DJDVMHAUUDEKND-XHDPSFHLSA-N 1 0 263.337 2.058 20 10 CECDRO COc1ccc(CN[C@@H]2CC[NH2+]C23CCC3)cc1C ZINC000530177592 380196263 /nfs/dbraw/zinc/19/62/63/380196263.db2.gz KQYTYQRTVTYHNJ-OAHLLOKOSA-N 1 0 260.381 2.378 20 10 CECDRO Cc1c(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cnn1C ZINC000186188075 262312334 /nfs/dbraw/zinc/31/23/34/262312334.db2.gz DGIBCHPQEQZONR-VIFPVBQESA-N 1 0 263.316 2.424 20 10 CECDRO CC(C)[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000034824572 134782986 /nfs/dbraw/zinc/78/29/86/134782986.db2.gz HJRQHKKMWHDRRD-UHFFFAOYSA-N 1 0 262.397 2.393 20 10 CECDRO COc1cccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1O ZINC000217907013 394456119 /nfs/dbraw/zinc/45/61/19/394456119.db2.gz RZIUZLYETRHLLE-JSGCOSHPSA-N 1 0 276.380 2.069 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1F ZINC000092763697 394662056 /nfs/dbraw/zinc/66/20/56/394662056.db2.gz MBKHIGRXPYCJTA-CQSZACIVSA-N 1 0 280.387 2.486 20 10 CECDRO COc1cccc(C[N@H+](C)CCOCC2CC2)c1O ZINC000093818614 394669149 /nfs/dbraw/zinc/66/91/49/394669149.db2.gz AYMLCXZBMOMGJP-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1 ZINC000270455238 394734871 /nfs/dbraw/zinc/73/48/71/394734871.db2.gz DKVXJYKRLZUUID-GFCCVEGCSA-N 1 0 276.302 2.156 20 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WWSWNXTWKBYRTE-LBPRGKRZSA-N 1 0 273.384 2.215 20 10 CECDRO CCCOc1ccc(C[NH2+]C2(CO)CCC2)c(O)c1 ZINC000178638670 395171178 /nfs/dbraw/zinc/17/11/78/395171178.db2.gz LSSRSGUSRNPMQI-UHFFFAOYSA-N 1 0 265.353 2.186 20 10 CECDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182343924 395241080 /nfs/dbraw/zinc/24/10/80/395241080.db2.gz AUGLUFIVAZOBOG-SRVKXCTJSA-N 1 0 294.395 2.355 20 10 CECDRO CCOC(=O)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179565652 395195104 /nfs/dbraw/zinc/19/51/04/395195104.db2.gz ZIHMAGIURNALTB-UHFFFAOYSA-N 1 0 278.352 2.056 20 10 CECDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000292891216 395208090 /nfs/dbraw/zinc/20/80/90/395208090.db2.gz YWNQPFBNHRFWGF-AAEUAGOBSA-N 1 0 266.360 2.237 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1O ZINC000183613905 395261217 /nfs/dbraw/zinc/26/12/17/395261217.db2.gz HFQRZEQSBQQIEK-NWDGAFQWSA-N 1 0 276.380 2.442 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@]23CCOC3=O)cc1C ZINC000190036994 395335355 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ZINC000037363044 260095002 /nfs/dbraw/zinc/09/50/02/260095002.db2.gz FGVSLTXDUFHIMT-INIZCTEOSA-N 1 0 269.344 2.445 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)c1O ZINC000093418395 260275783 /nfs/dbraw/zinc/27/57/83/260275783.db2.gz VDUKULACYWXALT-GHMZBOCLSA-N 1 0 251.326 2.010 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1F ZINC000154584294 261092831 /nfs/dbraw/zinc/09/28/31/261092831.db2.gz SFBOWQJGQLFEEG-ZDUSSCGKSA-N 1 0 266.360 2.096 20 10 CECDRO C[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000154699269 261094259 /nfs/dbraw/zinc/09/42/59/261094259.db2.gz WGNIKLUYFOZAGH-AWEZNQCLSA-N 1 0 289.423 2.195 20 10 CECDRO Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)c(O)c1O ZINC000177672303 261711387 /nfs/dbraw/zinc/71/13/87/261711387.db2.gz BJDJPWQWOBCYNJ-GFCCVEGCSA-N 1 0 292.379 2.010 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1 ZINC000180330431 261855051 /nfs/dbraw/zinc/85/50/51/261855051.db2.gz JIXNLHXDQPHCGU-UHFFFAOYSA-N 1 0 290.407 2.391 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(O)C2)c1O ZINC000184701466 262027189 /nfs/dbraw/zinc/02/71/89/262027189.db2.gz DLZHKRQHPLJTBN-CYBMUJFWSA-N 1 0 271.744 2.011 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000363935502 262040317 /nfs/dbraw/zinc/04/03/17/262040317.db2.gz BPMCGOJUKIXVLT-ZDUSSCGKSA-N 1 0 287.363 2.161 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCOC2=O)c(O)c1 ZINC000185332880 262050617 /nfs/dbraw/zinc/05/06/17/262050617.db2.gz SXJSTFRJZYLJHN-LBPRGKRZSA-N 1 0 278.352 2.194 20 10 CECDRO CC(C)N1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2O)C1=O ZINC000186048825 262077193 /nfs/dbraw/zinc/07/71/93/262077193.db2.gz DXLLWGGYJQNATR-MFKMUULPSA-N 1 0 280.343 2.191 20 10 CECDRO CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2O)C1 ZINC000186109451 262080090 /nfs/dbraw/zinc/08/00/90/262080090.db2.gz LVNIOANKYQMDTD-OLZOCXBDSA-N 1 0 291.395 2.155 20 10 CECDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000186443155 262093610 /nfs/dbraw/zinc/09/36/10/262093610.db2.gz 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ZINC000527955036 313219976 /nfs/dbraw/zinc/21/99/76/313219976.db2.gz LRMWPKTXJOIWAA-QEGRKFQGSA-N 1 0 295.354 2.209 20 10 CECDRO Cc1cccc(C[NH+]2CCN(C(=O)C(C)C)CC2)c1O ZINC000271864538 328198348 /nfs/dbraw/zinc/19/83/48/328198348.db2.gz ZZXGTCWPCUEKDK-UHFFFAOYSA-N 1 0 276.380 2.001 20 10 CECDRO Cc1cc(C)nc(N2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000272949592 328201780 /nfs/dbraw/zinc/20/17/80/328201780.db2.gz NWORXNYJZZLILZ-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000529636684 328591912 /nfs/dbraw/zinc/59/19/12/328591912.db2.gz GSSICWUDIQUCKB-NSHDSACASA-N 1 0 253.317 2.438 20 10 CECDRO c1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc2c1OCC2 ZINC000187133562 329353661 /nfs/dbraw/zinc/35/36/61/329353661.db2.gz OPDQTULPMKZUNT-IIAWOOMASA-N 1 0 259.349 2.279 20 10 CECDRO CCn1nncc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000527919186 330295502 /nfs/dbraw/zinc/29/55/02/330295502.db2.gz FNEQJLAWQMMHET-LBPRGKRZSA-N 1 0 274.368 2.471 20 10 CECDRO COCC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000081708034 330352101 /nfs/dbraw/zinc/35/21/01/330352101.db2.gz NBIWOEVZHJPEJJ-GHMZBOCLSA-N 1 0 253.342 2.476 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c(O)c1 ZINC000252538502 334382207 /nfs/dbraw/zinc/38/22/07/334382207.db2.gz AQEPXKZNEPWJBO-KKUMJFAQSA-N 1 0 290.407 2.214 20 10 CECDRO COc1cccc(C[NH2+]C[C@H](O)c2ccsc2)c1O ZINC000219090419 333141366 /nfs/dbraw/zinc/14/13/66/333141366.db2.gz CKOZIGHQGYVDFR-LBPRGKRZSA-N 1 0 279.361 2.286 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1O ZINC000230315196 333316297 /nfs/dbraw/zinc/31/62/97/333316297.db2.gz BNADWILIVRETDL-XJKSGUPXSA-N 1 0 277.364 2.448 20 10 CECDRO C[C@@H]([NH2+]CCN1CCSCC1)c1cc(F)ccc1O ZINC000230661676 333320111 /nfs/dbraw/zinc/32/01/11/333320111.db2.gz LAVOPLCGNWKEDS-LLVKDONJSA-N 1 0 284.400 2.231 20 10 CECDRO CCOc1cccc(C[NH2+]CC(C)(C)CCO)c1O ZINC000231403502 333324926 /nfs/dbraw/zinc/32/49/26/333324926.db2.gz VQYFJDQPSVKDPU-UHFFFAOYSA-N 1 0 267.369 2.289 20 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251.326 2.166 20 10 CECDRO CCCOc1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c(O)c1 ZINC000364846787 520352297 /nfs/dbraw/zinc/35/22/97/520352297.db2.gz VINMQWFNWNCMAE-OLZOCXBDSA-N 1 0 283.343 2.086 20 10 CECDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000293104973 520364451 /nfs/dbraw/zinc/36/44/51/520364451.db2.gz YAFAUHFZHXLKAU-INIZCTEOSA-N 1 0 293.363 2.152 20 10 CECDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)C[C@]2(CCOC2)O1 ZINC000280290499 520474296 /nfs/dbraw/zinc/47/42/96/520474296.db2.gz ODZIACIKPBLMEM-INIZCTEOSA-N 1 0 295.354 2.301 20 10 CECDRO CCN(CC)[C@H](C)C[NH2+]Cc1cc(OC)ccc1O ZINC000279640683 520858434 /nfs/dbraw/zinc/85/84/34/520858434.db2.gz JDRFFKLGPAWKNA-GFCCVEGCSA-N 1 0 266.385 2.221 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCCNC2=O)cc1 ZINC000036976605 520911144 /nfs/dbraw/zinc/91/11/44/520911144.db2.gz NVPOBXIHFFCKMB-INIZCTEOSA-N 1 0 289.423 2.291 20 10 CECDRO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000127005025 521148779 /nfs/dbraw/zinc/14/87/79/521148779.db2.gz QHNNDWJSNDYHMZ-TXEJJXNPSA-N 1 0 265.353 2.400 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC2([S@@](C)=O)CCC2)c1 ZINC000280599187 521150028 /nfs/dbraw/zinc/15/00/28/521150028.db2.gz JEFCUFNVABEGFT-HXUWFJFHSA-N 1 0 297.420 2.182 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000236733205 521689402 /nfs/dbraw/zinc/68/94/02/521689402.db2.gz KXJHTACQCRRAHQ-JSGCOSHPSA-N 1 0 276.380 2.258 20 10 CECDRO CCCN(Cc1ccn(C)n1)c1ccc(C[NH3+])cc1 ZINC000211614250 521690673 /nfs/dbraw/zinc/69/06/73/521690673.db2.gz RFMXLSZCYMRKMU-UHFFFAOYSA-N 1 0 258.369 2.295 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2cccc(C)c2O)o1 ZINC000289448677 522034202 /nfs/dbraw/zinc/03/42/02/522034202.db2.gz MXSDRHUKKJQHOS-UHFFFAOYSA-N 1 0 275.304 2.370 20 10 CECDRO CN(C)[C@@]1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCSC1 ZINC000297507179 522063473 /nfs/dbraw/zinc/06/34/73/522063473.db2.gz CIXRNGJQIVTLAC-CZUORRHYSA-N 1 0 292.448 2.406 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCCCC2)cc1 ZINC000061804092 522166066 /nfs/dbraw/zinc/16/60/66/522166066.db2.gz UANLLYVXYNMUIY-UHFFFAOYSA-N 1 0 289.423 2.197 20 10 CECDRO COC[C@@H](C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000045656218 522205867 /nfs/dbraw/zinc/20/58/67/522205867.db2.gz UIWNBNQOJSPKRQ-QWRGUYRKSA-N 1 0 253.342 2.334 20 10 CECDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)C(C)(C)O ZINC000292929978 522654670 /nfs/dbraw/zinc/65/46/70/522654670.db2.gz GWSSZZGIZBJFCD-LBPRGKRZSA-N 1 0 253.342 2.040 20 10 CECDRO CC[C@H]([NH2+][C@H](C)CN1CCCC1=O)c1ccccc1O ZINC000037782114 522732686 /nfs/dbraw/zinc/73/26/86/522732686.db2.gz WGCDHYYFCQWVOX-OCCSQVGLSA-N 1 0 276.380 2.444 20 10 CECDRO CC[C@@H]([NH2+]CCc1nc(C)no1)c1ccccc1O ZINC000156480941 522845394 /nfs/dbraw/zinc/84/53/94/522845394.db2.gz OONYHMRNGNMUOE-GFCCVEGCSA-N 1 0 261.325 2.367 20 10 CECDRO C[N@H+](Cc1c(O)cccc1Cl)CC1(O)CCOCC1 ZINC000275867323 523156412 /nfs/dbraw/zinc/15/64/12/523156412.db2.gz JPESSKDORQSVTA-UHFFFAOYSA-N 1 0 285.771 2.019 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000279607287 524404512 /nfs/dbraw/zinc/40/45/12/524404512.db2.gz FFYMFZSTCKQPPT-CJNGLKHVSA-N 1 0 277.364 2.080 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](CO)C2CCCC2)c1 ZINC000290808213 524755712 /nfs/dbraw/zinc/75/57/12/524755712.db2.gz FWSQKRUKFDTUHZ-CQSZACIVSA-N 1 0 265.353 2.042 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CCCO)c1 ZINC000094941814 524765551 /nfs/dbraw/zinc/76/55/51/524765551.db2.gz ANWWKFZPSRKPCU-WDEREUQCSA-N 1 0 253.342 2.212 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CCN2CCCOCC2)c1O ZINC000289489874 524868703 /nfs/dbraw/zinc/86/87/03/524868703.db2.gz RKZAZSMLGHIDCV-UHFFFAOYSA-N 1 0 298.814 2.166 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1O ZINC000280200223 524869011 /nfs/dbraw/zinc/86/90/11/524869011.db2.gz BGRWLRKZCUFOLT-YPMHNXCESA-N 1 0 299.798 2.089 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)C2CC2)c1O ZINC000289439185 524869830 /nfs/dbraw/zinc/86/98/30/524869830.db2.gz LTABAQYHAOLIGI-GFCCVEGCSA-N 1 0 255.745 2.215 20 10 CECDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617557 524960784 /nfs/dbraw/zinc/96/07/84/524960784.db2.gz GNYIBNMUYZJYDL-QWRGUYRKSA-N 1 0 263.316 2.467 20 10 CECDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1CO ZINC000276769974 524980257 /nfs/dbraw/zinc/98/02/57/524980257.db2.gz IBLKDRIMXDHUBP-ZJUUUORDSA-N 1 0 255.745 2.106 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC000279709351 525341926 /nfs/dbraw/zinc/34/19/26/525341926.db2.gz SHXYKRFMWVMQMO-BBRMVZONSA-N 1 0 277.364 2.080 20 10 CECDRO C[S@@](=O)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000280664845 525360043 /nfs/dbraw/zinc/36/00/43/525360043.db2.gz PHNBBPPVIOHCNE-LJQANCHMSA-N 1 0 279.405 2.012 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000278491899 525363197 /nfs/dbraw/zinc/36/31/97/525363197.db2.gz PQPYAHZMLYNQNR-AWEZNQCLSA-N 1 0 290.407 2.216 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000189000999 525588289 /nfs/dbraw/zinc/58/82/89/525588289.db2.gz DQISIRQHNGWMGA-NEPJUHHUSA-N 1 0 290.407 2.398 20 10 CECDRO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Br)ccc1O ZINC000127130346 525695359 /nfs/dbraw/zinc/69/53/59/525695359.db2.gz SAWSYZXPOZESAE-QMMMGPOBSA-N 1 0 288.185 2.404 20 10 CECDRO COc1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1O ZINC000237213629 526020139 /nfs/dbraw/zinc/02/01/39/526020139.db2.gz VGRSMBQUDJUETH-AWEZNQCLSA-N 1 0 291.322 2.363 20 10 CECDRO COc1cccc(C[NH2+]Cc2nc(C)cs2)c1O ZINC000038090777 526025337 /nfs/dbraw/zinc/02/53/37/526025337.db2.gz SKNDFUVTWSMIDV-UHFFFAOYSA-N 1 0 264.350 2.456 20 10 CECDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CO)c1O ZINC000187259460 526159967 /nfs/dbraw/zinc/15/99/67/526159967.db2.gz WSIIXGHUUHXWOV-DTWKUNHWSA-N 1 0 288.185 2.495 20 10 CECDRO O=C(NCC[NH2+][C@H]1CCc2cccc(O)c21)c1ccccc1 ZINC000297890072 526337124 /nfs/dbraw/zinc/33/71/24/526337124.db2.gz VMDUHYXQXSSAAO-HNNXBMFYSA-N 1 0 296.370 2.399 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282984393 526374855 /nfs/dbraw/zinc/37/48/55/526374855.db2.gz ZVWRJXZTACDRNA-GDBMZVCRSA-N 1 0 291.391 2.050 20 10 CECDRO CC[NH+](CC)C[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875161477 649891145 /nfs/dbraw/zinc/89/11/45/649891145.db2.gz LMVHXOXDLQPXEM-GFCCVEGCSA-N 1 0 291.395 2.148 20 10 CECDRO CN(C)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000738143192 574487525 /nfs/dbraw/zinc/48/75/25/574487525.db2.gz JTOXUVUUOGHSDB-CQSZACIVSA-N 1 0 285.391 2.466 20 10 CECDRO CC(C)[NH+]1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000731865829 574604212 /nfs/dbraw/zinc/60/42/12/574604212.db2.gz SYSKHYXZGBAGEN-UHFFFAOYSA-N 1 0 268.382 2.056 20 10 CECDRO C[N@H+](CCNC(=O)C1=CC(=O)CS1)Cc1ccccc1 ZINC000731870317 574604351 /nfs/dbraw/zinc/60/43/51/574604351.db2.gz MESMDRXOBSPAJY-UHFFFAOYSA-N 1 0 290.388 2.316 20 10 CECDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1=CC(=O)CS1 ZINC000731870016 574604499 /nfs/dbraw/zinc/60/44/99/574604499.db2.gz HVWYFBYIDGDIAR-QWRGUYRKSA-N 1 0 282.409 2.304 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000753568362 575330398 /nfs/dbraw/zinc/33/03/98/575330398.db2.gz OPTRRFGPSHFIES-UHFFFAOYSA-N 1 0 299.330 2.273 20 10 CECDRO Oc1ccccc1C[N@@H+](Cc1cncnc1)C[C@H]1CCCO1 ZINC000160167654 622547502 /nfs/dbraw/zinc/54/75/02/622547502.db2.gz MKZCUVFNPFDPEK-MRXNPFEDSA-N 1 0 299.374 2.363 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCS[C@@H]2C)c1O ZINC000310564140 625598685 /nfs/dbraw/zinc/59/86/85/625598685.db2.gz KXXCQSUUOPJVNN-MWLCHTKSSA-N 1 0 253.367 2.384 20 10 CECDRO CC[C@@H]1[C@@H](C(=O)NCc2cccc(Cl)c2O)CC[N@@H+]1C ZINC000890761089 622932407 /nfs/dbraw/zinc/93/24/07/622932407.db2.gz KLUODYKGKZALTF-WCQYABFASA-N 1 0 296.798 2.392 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1O ZINC000077204936 623149615 /nfs/dbraw/zinc/14/96/15/623149615.db2.gz LRXBJMYFWRBPJQ-GXTWGEPZSA-N 1 0 279.380 2.432 20 10 CECDRO COc1cc(C[N@H+](C)C[C@H]2CCOC2)c(O)cc1C ZINC000160363511 623256044 /nfs/dbraw/zinc/25/60/44/623256044.db2.gz RBZGNIDGPNYQAV-GFCCVEGCSA-N 1 0 265.353 2.178 20 10 CECDRO C[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891257425 623331274 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ZINC000892132163 624342264 /nfs/dbraw/zinc/34/22/64/624342264.db2.gz ZRMZATSEIJTWAV-UHFFFAOYSA-N 1 0 289.358 2.360 20 10 CECDRO C[C@H](NC(=O)NCCCCCC[NH3+])c1ccccc1O ZINC000892212882 624422040 /nfs/dbraw/zinc/42/20/40/624422040.db2.gz UHMWUZPBBCLAAR-LBPRGKRZSA-N 1 0 279.384 2.272 20 10 CECDRO COc1ccc(C[N@H+](C)CC(C)(C)OC)c(O)c1OC ZINC000892224698 624437026 /nfs/dbraw/zinc/43/70/26/624437026.db2.gz HYCWIHWUUQDQRH-UHFFFAOYSA-N 1 0 283.368 2.266 20 10 CECDRO CCc1cc(C[NH2+]Cc2ccc(OC)c(OC)c2O)on1 ZINC000892396668 625207716 /nfs/dbraw/zinc/20/77/16/625207716.db2.gz GDJZWSGLVBPYGX-UHFFFAOYSA-N 1 0 292.335 2.250 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)Cc2cnccn2)c1O ZINC000725849484 625919273 /nfs/dbraw/zinc/91/92/73/625919273.db2.gz OKCRPUZSHXLHLB-LBPRGKRZSA-N 1 0 287.363 2.302 20 10 CECDRO C[NH+]1CCN(c2ccc(NCc3ccccc3O)cn2)CC1 ZINC000162920762 627339510 /nfs/dbraw/zinc/33/95/10/627339510.db2.gz HJUKKHOFNSSIEO-UHFFFAOYSA-N 1 0 298.390 2.151 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H](OC)C(C)C)c(O)c1OC 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ZINC000895121081 629924835 /nfs/dbraw/zinc/92/48/35/629924835.db2.gz DAHDFICGQMAEJT-GFCCVEGCSA-N 1 0 282.359 2.181 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCS[C@H]2C)c(O)c1OC ZINC000895126130 629929771 /nfs/dbraw/zinc/92/97/71/629929771.db2.gz SHIUKNHIKIFECM-ONGXEEELSA-N 1 0 283.393 2.393 20 10 CECDRO COc1cc(C)cc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1O ZINC000895259812 630066133 /nfs/dbraw/zinc/06/61/33/630066133.db2.gz NJMKUFOLYKLGJM-VXGBXAGGSA-N 1 0 279.380 2.158 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1O ZINC000895279763 630075813 /nfs/dbraw/zinc/07/58/13/630075813.db2.gz LHNASYPGBACHKE-UONOGXRCSA-N 1 0 277.364 2.102 20 10 CECDRO C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1O ZINC000797069551 630124449 /nfs/dbraw/zinc/12/44/49/630124449.db2.gz GDJFSHNIVSOAGX-QWRGUYRKSA-N 1 0 283.393 2.009 20 10 CECDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000895437220 630189289 /nfs/dbraw/zinc/18/92/89/630189289.db2.gz JGTGRPCBRQLDEI-ZDUSSCGKSA-N 1 0 298.333 2.161 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000895581707 630264542 /nfs/dbraw/zinc/26/45/42/630264542.db2.gz QSZOMVILGXHURK-KGLIPLIRSA-N 1 0 295.354 2.424 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c(O)c1OC ZINC000895625009 630278188 /nfs/dbraw/zinc/27/81/88/630278188.db2.gz SBRBWHCXXSYWEZ-ZHPDPMBESA-N 1 0 295.379 2.311 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895845119 630368775 /nfs/dbraw/zinc/36/87/75/630368775.db2.gz NFOVRPMKYOBSAB-DOMZBBRYSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC000895836560 630371843 /nfs/dbraw/zinc/37/18/43/630371843.db2.gz MMFLQYZBNGQGKX-ZDUSSCGKSA-N 1 0 289.297 2.447 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@H](OC)CC[C@@H]2C)cc1OC ZINC000895928769 630407766 /nfs/dbraw/zinc/40/77/66/630407766.db2.gz UZIRJXWAZLVCEM-WCQYABFASA-N 1 0 295.379 2.409 20 10 CECDRO Cc1nc([C@@H]2CC[N@H+](Cc3c(C)cccc3O)C2)no1 ZINC000896233919 630504812 /nfs/dbraw/zinc/50/48/12/630504812.db2.gz ZNILDKYRSXCCCH-GFCCVEGCSA-N 1 0 273.336 2.382 20 10 CECDRO C[C@@]1([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)COC(=O)N1 ZINC000896397031 630552719 /nfs/dbraw/zinc/55/27/19/630552719.db2.gz ULMKPOOOAGFNJA-CJNGLKHVSA-N 1 0 290.363 2.103 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCO[C@@H](C)CC1 ZINC000896586197 630604972 /nfs/dbraw/zinc/60/49/72/630604972.db2.gz XEFYOSZBPCQRFL-NSHDSACASA-N 1 0 251.326 2.012 20 10 CECDRO C[C@H]([NH2+]CC(=O)NCC(F)F)c1cc(Cl)ccc1O ZINC000795844421 630684121 /nfs/dbraw/zinc/68/41/21/630684121.db2.gz JZMGBQHYYYVHHY-ZETCQYMHSA-N 1 0 292.713 2.078 20 10 CECDRO CCO[C@H](C[NH2+]Cc1cccc(CC)c1O)CN(C)C ZINC000896877610 630698784 /nfs/dbraw/zinc/69/87/84/630698784.db2.gz KXDPCXSAHPGPPL-OAHLLOKOSA-N 1 0 280.412 2.011 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)CC(C)(C)O)c(O)c1 ZINC000824695749 635479000 /nfs/dbraw/zinc/47/90/00/635479000.db2.gz BZELSQNMZDPCPS-NSHDSACASA-N 1 0 267.369 2.430 20 10 CECDRO Cc1ccc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c(O)c1 ZINC000897020388 630882546 /nfs/dbraw/zinc/88/25/46/630882546.db2.gz VBLSTANJMHXSQV-AWEZNQCLSA-N 1 0 290.363 2.021 20 10 CECDRO OC[C@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000897357332 631182905 /nfs/dbraw/zinc/18/29/05/631182905.db2.gz IPGVHJOSPRYDQK-YEORSEQZSA-N 1 0 257.333 2.406 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000897388300 631272073 /nfs/dbraw/zinc/27/20/73/631272073.db2.gz AYDBNPJKUPELSP-XHDPSFHLSA-N 1 0 263.312 2.333 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)Cc2cccc(=O)[nH]2)c1 ZINC000897392053 631277603 /nfs/dbraw/zinc/27/76/03/631277603.db2.gz LAGATRQDFCHDHP-UHFFFAOYSA-N 1 0 274.320 2.133 20 10 CECDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCCCSc1nccs1 ZINC000864462061 631677347 /nfs/dbraw/zinc/67/73/47/631677347.db2.gz RITUTLFDBMEZGL-RKDXNWHRSA-N 1 0 270.427 2.148 20 10 CECDRO C[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(Cl)cc1O ZINC000841752910 631732761 /nfs/dbraw/zinc/73/27/61/631732761.db2.gz CUWLRGMNJSNQPS-NSHDSACASA-N 1 0 298.814 2.153 20 10 CECDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000840094763 631840850 /nfs/dbraw/zinc/84/08/50/631840850.db2.gz WFJFAKQMBQHIJM-INIZCTEOSA-N 1 0 274.408 2.407 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC23CC(O)C3)c(Cl)c1 ZINC000897844192 631941699 /nfs/dbraw/zinc/94/16/99/631941699.db2.gz NQPRZFQTVBENNF-JRZRUSQNSA-N 1 0 267.756 2.357 20 10 CECDRO CCOCc1cc(C[NH2+]C2CC(CCO)C2)ccc1OC ZINC000898008080 631999266 /nfs/dbraw/zinc/99/92/66/631999266.db2.gz LIWFBMDQKFHUHY-UHFFFAOYSA-N 1 0 293.407 2.482 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC[C@H](O)C(F)(F)F)c1 ZINC000809742648 632136562 /nfs/dbraw/zinc/13/65/62/632136562.db2.gz CCGVUTANUZECDB-LBPRGKRZSA-N 1 0 293.285 2.194 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000809757241 632141682 /nfs/dbraw/zinc/14/16/82/632141682.db2.gz LNCVVPLDMGXFMK-GFCCVEGCSA-N 1 0 287.363 2.124 20 10 CECDRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000809768074 632143587 /nfs/dbraw/zinc/14/35/87/632143587.db2.gz BMXCXXHRUSPZRY-CQSZACIVSA-N 1 0 298.402 2.109 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc1C ZINC000840188243 632154671 /nfs/dbraw/zinc/15/46/71/632154671.db2.gz ZNVSMAUZTRRLMZ-HNNXBMFYSA-N 1 0 290.407 2.498 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)NC(C)C)cc1Cl ZINC000826123685 635764761 /nfs/dbraw/zinc/76/47/61/635764761.db2.gz SSJUZZZYMRXWSL-JTQLQIEISA-N 1 0 284.787 2.357 20 10 CECDRO CCN(CC)c1ccc(CN(C)CC[N+](=O)[O-])cc1 ZINC000929184943 632319745 /nfs/dbraw/zinc/31/97/45/632319745.db2.gz OFMGKHBLOCUXSV-UHFFFAOYSA-N 1 0 265.357 2.241 20 10 CECDRO [O-]c1c(Br)cccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841057107 632360064 /nfs/dbraw/zinc/36/00/64/632360064.db2.gz IFHICYLWECCJBL-NSHDSACASA-N 1 0 299.212 2.386 20 10 CECDRO CC[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(C)cc1O ZINC000927125572 632472758 /nfs/dbraw/zinc/47/27/58/632472758.db2.gz AEFLQSGFOYWOGQ-CJNGLKHVSA-N 1 0 289.379 2.208 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1O ZINC000812296889 632504361 /nfs/dbraw/zinc/50/43/61/632504361.db2.gz RZKNUADJBJRMIF-CQSZACIVSA-N 1 0 287.363 2.353 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000813857975 632748708 /nfs/dbraw/zinc/74/87/08/632748708.db2.gz RLBGTLFBYRQIRG-HNNXBMFYSA-N 1 0 289.423 2.208 20 10 CECDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCC(=O)NC1(C)C ZINC000814170161 632798155 /nfs/dbraw/zinc/79/81/55/632798155.db2.gz RZQHVMDKRWYPQG-OAHLLOKOSA-N 1 0 289.423 2.419 20 10 CECDRO CCC[N@H+](CC(N)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000814177859 632800524 /nfs/dbraw/zinc/80/05/24/632800524.db2.gz RJSSNEAJZXBMAQ-UHFFFAOYSA-N 1 0 289.423 2.374 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC000815060258 632953431 /nfs/dbraw/zinc/95/34/31/632953431.db2.gz RIRNORBMIIAXHC-ZFWWWQNUSA-N 1 0 290.407 2.302 20 10 CECDRO Cc1cc(C[N@@H+]2CCN(C)[C@@H](C)C2)ccc1N(C)C ZINC000815078901 632955518 /nfs/dbraw/zinc/95/55/18/632955518.db2.gz JJVDFAWYTNUKPS-AWEZNQCLSA-N 1 0 261.413 2.197 20 10 CECDRO Cc1cc(C[N@@H+](C)[C@@H](CO)COC(C)C)ccc1N(C)C ZINC000815101765 632959925 /nfs/dbraw/zinc/95/99/25/632959925.db2.gz AKCUPTIGOYEIPA-INIZCTEOSA-N 1 0 294.439 2.279 20 10 CECDRO Cc1cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)ccc1N(C)C ZINC000815105979 632960570 /nfs/dbraw/zinc/96/05/70/632960570.db2.gz NXYHKSQZKVVFST-WMLDXEAASA-N 1 0 292.423 2.033 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000815147655 632972610 /nfs/dbraw/zinc/97/26/10/632972610.db2.gz UVNDKILZTXBYFT-INIZCTEOSA-N 1 0 279.380 2.432 20 10 CECDRO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H](C)N1C ZINC000815179919 632977512 /nfs/dbraw/zinc/97/75/12/632977512.db2.gz YPYBWEKUWQLAPX-OKILXGFUSA-N 1 0 261.413 2.277 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1 ZINC000815298530 632993000 /nfs/dbraw/zinc/99/30/00/632993000.db2.gz QXIBSNPFHOZNSG-MRXNPFEDSA-N 1 0 262.397 2.490 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCn2cncn2)c(O)c1 ZINC000815605533 633036935 /nfs/dbraw/zinc/03/69/35/633036935.db2.gz XXGITSAOVKJHSE-CYBMUJFWSA-N 1 0 274.368 2.341 20 10 CECDRO O=C1CC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3O)CCN12 ZINC000816499608 633402267 /nfs/dbraw/zinc/40/22/67/633402267.db2.gz VLFWOEUZQGZOKM-OAHLLOKOSA-N 1 0 296.370 2.352 20 10 CECDRO CN(Cc1nncn1C)Cc1ccc2ccccc2c1O ZINC000816612548 633421732 /nfs/dbraw/zinc/42/17/32/633421732.db2.gz ROGMAPNMLLRICX-UHFFFAOYSA-N 1 0 282.347 2.306 20 10 CECDRO Cc1cccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)c1O ZINC000816652993 633457611 /nfs/dbraw/zinc/45/76/11/633457611.db2.gz BGBRXHYHEXUOBQ-HNNXBMFYSA-N 1 0 284.359 2.407 20 10 CECDRO CCOc1ccc(O)c(CN(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000817417109 633655228 /nfs/dbraw/zinc/65/52/28/633655228.db2.gz CYALYQISUNSVEE-CQSZACIVSA-N 1 0 278.396 2.317 20 10 CECDRO CN(C)c1ccc(CN2CCC3(CC[NH2+]3)CC2)cc1F ZINC000817865508 633746958 /nfs/dbraw/zinc/74/69/58/633746958.db2.gz JPJAHQSVAYNSAN-UHFFFAOYSA-N 1 0 277.387 2.220 20 10 CECDRO CC[C@H]([NH2+]CCN)c1ccc(C(F)(F)F)cc1O ZINC000817934670 633787133 /nfs/dbraw/zinc/78/71/33/633787133.db2.gz AKUFHYVWDLXZSM-JTQLQIEISA-N 1 0 262.275 2.410 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)[C@H]1C[C@H]1C ZINC000817940883 633790132 /nfs/dbraw/zinc/79/01/32/633790132.db2.gz LWGVLZUMHYQXIA-AVRGHOLYSA-N 1 0 261.413 2.387 20 10 CECDRO C[C@@H]1C[C@H](NCC[NH2+]C2CC2)c2c1c(F)ccc2O ZINC000817951950 633795746 /nfs/dbraw/zinc/79/57/46/633795746.db2.gz BRSSXYRFPFPCGX-SKDRFNHKSA-N 1 0 264.344 2.421 20 10 CECDRO Cn1ncc2c1CCC[C@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817956291 633799506 /nfs/dbraw/zinc/79/95/06/633799506.db2.gz VTPTWLCECGGTKR-OAHLLOKOSA-N 1 0 270.380 2.212 20 10 CECDRO CC[C@H](NC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1O ZINC000817955640 633799918 /nfs/dbraw/zinc/79/99/18/633799918.db2.gz DIKCWLMDAPWCST-NSHDSACASA-N 1 0 274.286 2.424 20 10 CECDRO C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817955559 633800202 /nfs/dbraw/zinc/80/02/02/633800202.db2.gz YUBWLQLWILUYQT-ZJUUUORDSA-N 1 0 270.323 2.321 20 10 CECDRO CC[C@H]([NH2+]CCNCCOC)c1ccc(N(C)C)cc1 ZINC000817965047 633806274 /nfs/dbraw/zinc/80/62/74/633806274.db2.gz OBAFITVXNKWERW-INIZCTEOSA-N 1 0 279.428 2.029 20 10 CECDRO C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817965817 633808448 /nfs/dbraw/zinc/80/84/48/633808448.db2.gz CISCEAJOBLOGJQ-XHDPSFHLSA-N 1 0 293.367 2.341 20 10 CECDRO C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000817968703 633812259 /nfs/dbraw/zinc/81/22/59/633812259.db2.gz WFRCLRFWKARZHN-WWGRRREGSA-N 1 0 261.413 2.401 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1[O-] ZINC000817976851 633820203 /nfs/dbraw/zinc/82/02/03/633820203.db2.gz VMJRDQGTOOGJOC-QMTHXVAHSA-N 1 0 264.344 2.324 20 10 CECDRO C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981854 633824462 /nfs/dbraw/zinc/82/44/62/633824462.db2.gz VVYIAMJOJYMVKB-RYUDHWBXSA-N 1 0 293.367 2.483 20 10 CECDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)c2c1c(F)ccc2O ZINC000818357985 633914964 /nfs/dbraw/zinc/91/49/64/633914964.db2.gz MKQIJUMPITXDPI-AYHFEMFVSA-N 1 0 251.301 2.193 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)C[NH3+] ZINC000818608332 633958763 /nfs/dbraw/zinc/95/87/63/633958763.db2.gz ZZWURORMDOPJAO-CYBMUJFWSA-N 1 0 277.412 2.084 20 10 CECDRO C[C@H]([NH2+]CCN1CCCOCC1)c1ccc(Cl)cc1O ZINC000903228992 635027651 /nfs/dbraw/zinc/02/76/51/635027651.db2.gz UYLMADGKYKRFIN-LBPRGKRZSA-N 1 0 298.814 2.419 20 10 CECDRO C[NH2+]C[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000903530132 635161694 /nfs/dbraw/zinc/16/16/94/635161694.db2.gz QZYJYCBMJWWGEE-AWEZNQCLSA-N 1 0 294.370 2.308 20 10 CECDRO Cc1cc(CN2CCC[C@@]23CC[NH2+]C3)ccc1N(C)C ZINC000903872292 635320827 /nfs/dbraw/zinc/32/08/27/635320827.db2.gz YPKIESHXSJMPGX-KRWDZBQOSA-N 1 0 273.424 2.389 20 10 CECDRO COc1ccc(CNCc2cc(N)cc[nH+]2)cc1C ZINC000903949586 635381711 /nfs/dbraw/zinc/38/17/11/635381711.db2.gz CNVIPLRNCIVBAI-UHFFFAOYSA-N 1 0 257.337 2.271 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000824549015 635449006 /nfs/dbraw/zinc/44/90/06/635449006.db2.gz VELOZVSQRNVHTR-GFCCVEGCSA-N 1 0 279.380 2.265 20 10 CECDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000824636287 635467094 /nfs/dbraw/zinc/46/70/94/635467094.db2.gz OGLQUGDAQQTOSJ-AAEUAGOBSA-N 1 0 295.379 2.002 20 10 CECDRO CS[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824683961 635477413 /nfs/dbraw/zinc/47/74/13/635477413.db2.gz ZBFATDYDSJGYPC-INIZCTEOSA-N 1 0 292.448 2.461 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C2(CF)CCOCC2)c1 ZINC000824690855 635478031 /nfs/dbraw/zinc/47/80/31/635478031.db2.gz NZWFBNFBPVMBLW-UHFFFAOYSA-N 1 0 283.343 2.399 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2OC)c1 ZINC000824709451 635483286 /nfs/dbraw/zinc/48/32/86/635483286.db2.gz QIWKLTSJDAZDOW-HWWQOWPSSA-N 1 0 295.379 2.103 20 10 CECDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(OC)c1O ZINC000824854157 635512658 /nfs/dbraw/zinc/51/26/58/635512658.db2.gz OPOZHKQDYATEOG-OLZOCXBDSA-N 1 0 293.363 2.222 20 10 CECDRO CN(C[C@@]1(C)CCC[NH2+]C1)c1ccc2c(c1)OCO2 ZINC000904331413 635576308 /nfs/dbraw/zinc/57/63/08/635576308.db2.gz HEQZNMPIFPYNGV-HNNXBMFYSA-N 1 0 262.353 2.241 20 10 CECDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000904357793 635590074 /nfs/dbraw/zinc/59/00/74/635590074.db2.gz BHZNGWFLWOKRTF-OAHLLOKOSA-N 1 0 260.381 2.242 20 10 CECDRO Cc1ccc(O)c(CN2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000904430404 635625303 /nfs/dbraw/zinc/62/53/03/635625303.db2.gz IALOQQIXHJOTGR-MRXNPFEDSA-N 1 0 260.381 2.419 20 10 CECDRO N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccccc1O ZINC000904462629 635635342 /nfs/dbraw/zinc/63/53/42/635635342.db2.gz XTVGOVJOYCPDQS-GDBMZVCRSA-N 1 0 254.333 2.107 20 10 CECDRO Cc1cc(O)c(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)cc1Cl ZINC000826096983 635761115 /nfs/dbraw/zinc/76/11/15/635761115.db2.gz KRSAEOYARMCVQM-SMDDNHRTSA-N 1 0 299.798 2.326 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000826790681 635848227 /nfs/dbraw/zinc/84/82/27/635848227.db2.gz KVHCJLAAMYIAPY-UHFFFAOYSA-N 1 0 299.418 2.431 20 10 CECDRO CO[C@@H](C[NH2+]Cc1cc(Cl)cc(C)c1O)[C@@H]1CCOC1 ZINC000826822257 635855149 /nfs/dbraw/zinc/85/51/49/635855149.db2.gz OKXMCBWLTSOWJQ-RISCZKNCSA-N 1 0 299.798 2.495 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)c1O ZINC000826889206 635872690 /nfs/dbraw/zinc/87/26/90/635872690.db2.gz RTFXOTZRKOAFJS-CMPLNLGQSA-N 1 0 258.325 2.088 20 10 CECDRO CN1CC(C[N@H+](C)Cc2cc(Cl)ccc2O)C1 ZINC000827125448 636224982 /nfs/dbraw/zinc/22/49/82/636224982.db2.gz KVIKBHLCXSONBR-UHFFFAOYSA-N 1 0 254.761 2.039 20 10 CECDRO CCOCc1cc(C[NH2+]C2([C@H](C)O)CC2)ccc1OC ZINC000827579886 636358116 /nfs/dbraw/zinc/35/81/16/636358116.db2.gz KKXKHOZNSGFDKB-LBPRGKRZSA-N 1 0 279.380 2.235 20 10 CECDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000827812342 636431779 /nfs/dbraw/zinc/43/17/79/636431779.db2.gz JVYNXHTZIRIHQB-AULYBMBSSA-N 1 0 263.337 2.050 20 10 CECDRO CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1O)[NH+](C)C ZINC000827937295 636463996 /nfs/dbraw/zinc/46/39/96/636463996.db2.gz QVVGPYDZIXDCEA-RISCZKNCSA-N 1 0 264.369 2.156 20 10 CECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C2=CC(=O)CS2)C[C@H]1C ZINC000828491262 636609775 /nfs/dbraw/zinc/60/97/75/636609775.db2.gz XWYWDELAZHTDRN-GHMZBOCLSA-N 1 0 282.409 2.399 20 10 CECDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C2=CC(=O)CS2)[C@@H](C)C1 ZINC000828595022 636637803 /nfs/dbraw/zinc/63/78/03/636637803.db2.gz FRGAFUWCNLUVGI-JQWIXIFHSA-N 1 0 282.409 2.256 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(N(C)C)cc1 ZINC000828960328 636737088 /nfs/dbraw/zinc/73/70/88/636737088.db2.gz UGDJWVNCQHFCLL-KGLIPLIRSA-N 1 0 289.423 2.320 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000829763988 636924397 /nfs/dbraw/zinc/92/43/97/636924397.db2.gz DYDZGMMAVUANHH-CJNGLKHVSA-N 1 0 291.439 2.297 20 10 CECDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876512024 650296927 /nfs/dbraw/zinc/29/69/27/650296927.db2.gz DLUQOEKPETXAIK-CQSZACIVSA-N 1 0 276.380 2.049 20 10 CECDRO [NH3+]CCCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597268 637107599 /nfs/dbraw/zinc/10/75/99/637107599.db2.gz CXXOCFGGIBDCCX-UHFFFAOYSA-N 1 0 290.407 2.406 20 10 CECDRO CCCOC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000908460457 637351634 /nfs/dbraw/zinc/35/16/34/637351634.db2.gz ULEIIKINFJDFAQ-HNNXBMFYSA-N 1 0 293.411 2.492 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccs2)cc1 ZINC000832292342 637535531 /nfs/dbraw/zinc/53/55/31/637535531.db2.gz FYXUITTVSACVGB-ZDUSSCGKSA-N 1 0 289.404 2.244 20 10 CECDRO CCCCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293150 637535725 /nfs/dbraw/zinc/53/57/25/637535725.db2.gz QIKILDVQYYGKIP-HNNXBMFYSA-N 1 0 277.412 2.449 20 10 CECDRO Cc1ccoc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832293625 637535921 /nfs/dbraw/zinc/53/59/21/637535921.db2.gz ZBDGFLYKHMLLRJ-AWEZNQCLSA-N 1 0 287.363 2.084 20 10 CECDRO COc1cc(Cl)cc(CN[C@H]2CCCC[NH2+]C2)c1O ZINC000841089414 637709840 /nfs/dbraw/zinc/70/98/40/637709840.db2.gz HBYWYOXMCQYTQZ-LBPRGKRZSA-N 1 0 284.787 2.286 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1nnnn1C1CC1 ZINC000834784035 637951007 /nfs/dbraw/zinc/95/10/07/637951007.db2.gz QYUNUTKEIHIAEN-JOYOIKCWSA-N 1 0 285.351 2.052 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000834850619 637970331 /nfs/dbraw/zinc/97/03/31/637970331.db2.gz OEILSIIZUMKOEF-HUUCEWRRSA-N 1 0 292.423 2.198 20 10 CECDRO CCN1C[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1=O ZINC000834889845 637978979 /nfs/dbraw/zinc/97/89/79/637978979.db2.gz KJARNAGQNIVOOI-MWLCHTKSSA-N 1 0 282.771 2.317 20 10 CECDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000834898156 637981210 /nfs/dbraw/zinc/98/12/10/637981210.db2.gz ZWULAFDTGHWKSX-KBRIMQKVSA-N 1 0 290.407 2.087 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)c2c1c(F)ccc2O ZINC000834909430 637984641 /nfs/dbraw/zinc/98/46/41/637984641.db2.gz RLWKKRBDSSANQA-SEFYAATASA-N 1 0 292.354 2.338 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CCCN(C)C2)cc1 ZINC000835036512 638032830 /nfs/dbraw/zinc/03/28/30/638032830.db2.gz QORWOLOIZHAUPI-NBUZRDOWSA-N 1 0 273.424 2.450 20 10 CECDRO CO[C@]1(C[NH2+]C/C=C/c2ccc(N(C)C)cc2)CCOC1 ZINC000835047408 638037054 /nfs/dbraw/zinc/03/70/54/638037054.db2.gz STHSDGXBXUDTRU-BDUNBXCCSA-N 1 0 290.407 2.161 20 10 CECDRO COC[C@H]1CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835056954 638041833 /nfs/dbraw/zinc/04/18/33/638041833.db2.gz WYXWJDHLQZSSKA-YIEVGGLXSA-N 1 0 260.381 2.487 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@]2(C)CCC(=O)N2)cc1 ZINC000835059820 638043198 /nfs/dbraw/zinc/04/31/98/638043198.db2.gz DQRZEWJGPKASHI-LAQIPUCWSA-N 1 0 287.407 2.024 20 10 CECDRO CCOc1cccc(C[N@H+](C)C2CCN(OC)CC2)c1O ZINC000835076377 638050064 /nfs/dbraw/zinc/05/00/64/638050064.db2.gz OZTIAKWFSBTMSM-UHFFFAOYSA-N 1 0 294.395 2.249 20 10 CECDRO Cc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c(O)c1 ZINC000876798827 650437761 /nfs/dbraw/zinc/43/77/61/650437761.db2.gz PSIJXIXWHNBZDC-UKRRQHHQSA-N 1 0 279.405 2.407 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2ccc(Cl)nn2)cc1 ZINC000876906341 650480449 /nfs/dbraw/zinc/48/04/49/650480449.db2.gz WYXYNRNIJQBYAA-UHFFFAOYSA-N 1 0 276.771 2.486 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c(O)c1 ZINC000876933828 650492338 /nfs/dbraw/zinc/49/23/38/650492338.db2.gz AEFUQLUUDCYPBR-CABCVRRESA-N 1 0 260.381 2.417 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ncc(C)s2)c1 ZINC000224827782 639464372 /nfs/dbraw/zinc/46/43/72/639464372.db2.gz ROJKPLDMNYFVBM-UHFFFAOYSA-N 1 0 264.350 2.456 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1c(C)cccc1O ZINC000876945194 650499417 /nfs/dbraw/zinc/49/94/17/650499417.db2.gz VMCWNLDWFZGHGC-LBPRGKRZSA-N 1 0 264.369 2.095 20 10 CECDRO CCn1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000840840679 639559159 /nfs/dbraw/zinc/55/91/59/639559159.db2.gz NKFPBYPAEZTXLT-ZDUSSCGKSA-N 1 0 257.337 2.386 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000840899572 639577761 /nfs/dbraw/zinc/57/77/61/639577761.db2.gz LXMGLPKTNCXPCF-QWRGUYRKSA-N 1 0 296.798 2.488 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](CC(N)=O)C1CCCC1 ZINC000840910766 639583269 /nfs/dbraw/zinc/58/32/69/639583269.db2.gz RLFLUAXOQDIDGM-UHFFFAOYSA-N 1 0 289.423 2.291 20 10 CECDRO COCC[C@@H](COC)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840948714 639597888 /nfs/dbraw/zinc/59/78/88/639597888.db2.gz WXWRKEREFPFOPU-HNNXBMFYSA-N 1 0 280.412 2.202 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000840954809 639599906 /nfs/dbraw/zinc/59/99/06/639599906.db2.gz OMMFARODXNDMRI-UHFFFAOYSA-N 1 0 287.363 2.083 20 10 CECDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](O)C(C)C ZINC000840968132 639605176 /nfs/dbraw/zinc/60/51/76/639605176.db2.gz VTOWULYUKAARKP-JSGCOSHPSA-N 1 0 267.369 2.286 20 10 CECDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000227828883 639606352 /nfs/dbraw/zinc/60/63/52/639606352.db2.gz UEZUFNSCRTZZPT-ZIAGYGMSSA-N 1 0 279.336 2.024 20 10 CECDRO CCOC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000060445614 639617984 /nfs/dbraw/zinc/61/79/84/639617984.db2.gz DEEFHVPDWCZIOE-UHFFFAOYSA-N 1 0 279.336 2.122 20 10 CECDRO CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841030528 639622370 /nfs/dbraw/zinc/62/23/70/639622370.db2.gz MKMCBXPARPOERB-LLVKDONJSA-N 1 0 260.740 2.258 20 10 CECDRO Cc1cc(O)c(CNC[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000841031850 639623670 /nfs/dbraw/zinc/62/36/70/639623670.db2.gz ZHOPUDYCFDKUPA-GFCCVEGCSA-N 1 0 256.777 2.427 20 10 CECDRO Cc1cc(O)c(CNC[C@H]([NH3+])C(C)C)c(Cl)c1 ZINC000841031851 639623981 /nfs/dbraw/zinc/62/39/81/639623981.db2.gz ZHOPUDYCFDKUPA-LBPRGKRZSA-N 1 0 256.777 2.427 20 10 CECDRO Oc1cccc(Cl)c1CNC[C@@H]1CCCC[NH2+]1 ZINC000841032210 639624220 /nfs/dbraw/zinc/62/42/20/639624220.db2.gz AMSFSGSCTHXMHR-JTQLQIEISA-N 1 0 254.761 2.277 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CN)CC(C)C)c1 ZINC000841038211 639628432 /nfs/dbraw/zinc/62/84/32/639628432.db2.gz HFJCLLFBUVCORV-ZDUSSCGKSA-N 1 0 266.385 2.254 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCc2ccc(N)cc2)n1 ZINC000841037174 639628648 /nfs/dbraw/zinc/62/86/48/639628648.db2.gz YWWHFMHHZJCSSW-UHFFFAOYSA-N 1 0 257.337 2.010 20 10 CECDRO COc1cccc(C[NH2+][C@H](CN)C2CCCCC2)c1O ZINC000841039244 639629734 /nfs/dbraw/zinc/62/97/34/639629734.db2.gz GSTDJXQMIIVVNF-CQSZACIVSA-N 1 0 278.396 2.398 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CC[NH2+]1 ZINC000841061543 639638465 /nfs/dbraw/zinc/63/84/65/639638465.db2.gz JYCXQJKCLMUKCL-MWLCHTKSSA-N 1 0 299.212 2.385 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)c(O)c1 ZINC000228931854 639665867 /nfs/dbraw/zinc/66/58/67/639665867.db2.gz XLHCPRRIQHBUKM-NEPJUHHUSA-N 1 0 264.369 2.264 20 10 CECDRO C[NH2+][C@H]1CCCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000229102703 639676728 /nfs/dbraw/zinc/67/67/28/639676728.db2.gz IYVHGKSWCLCLKN-LBPRGKRZSA-N 1 0 284.787 2.238 20 10 CECDRO CC1(C)CN(CC[NH2+]Cc2cc(Cl)ccc2O)CCO1 ZINC000171766532 639730598 /nfs/dbraw/zinc/73/05/98/639730598.db2.gz ATPFJELMWRIJLL-UHFFFAOYSA-N 1 0 298.814 2.246 20 10 CECDRO Nc1ccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000841298288 639731807 /nfs/dbraw/zinc/73/18/07/639731807.db2.gz ZOSGFYMVWGBIAI-UHFFFAOYSA-N 1 0 288.395 2.407 20 10 CECDRO CCCC[N@H+](C)CCNC(=O)Nc1ccc(N)cc1 ZINC000841299667 639732015 /nfs/dbraw/zinc/73/20/15/639732015.db2.gz HNNUWDMJMUMYHV-UHFFFAOYSA-N 1 0 264.373 2.122 20 10 CECDRO C[C@@H](NC(=O)Nc1ccc(N)cc1)C(C)(C)C[NH+](C)C ZINC000841300504 639733100 /nfs/dbraw/zinc/73/31/00/639733100.db2.gz SEXPWTJBJOJZDC-LLVKDONJSA-N 1 0 278.400 2.367 20 10 CECDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000230153966 639742715 /nfs/dbraw/zinc/74/27/15/639742715.db2.gz REGPEJJZMRWTHP-PBHICJAKSA-N 1 0 290.407 2.180 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c1O ZINC000230670224 639778202 /nfs/dbraw/zinc/77/82/02/639778202.db2.gz HFHPMVXHSOALPS-AAEUAGOBSA-N 1 0 265.353 2.042 20 10 CECDRO CCOc1cccc(CN2CCCC[C@H]2[C@@H](C)[NH3+])c1O ZINC000063191253 639837516 /nfs/dbraw/zinc/83/75/16/639837516.db2.gz SUUMTMRUSUTGDK-OCCSQVGLSA-N 1 0 278.396 2.493 20 10 CECDRO CC[C@@H]([NH3+])CNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000841717545 639848622 /nfs/dbraw/zinc/84/86/22/639848622.db2.gz KJNZVHZZRJXWSI-CQSZACIVSA-N 1 0 292.427 2.069 20 10 CECDRO CC(=O)N1CCC(C[NH2+]Cc2c(C)cccc2O)CC1 ZINC000877010329 650530486 /nfs/dbraw/zinc/53/04/86/650530486.db2.gz UOQAXMBQXJFQMJ-UHFFFAOYSA-N 1 0 276.380 2.049 20 10 CECDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(Cl)cc1O ZINC000841747806 639856451 /nfs/dbraw/zinc/85/64/51/639856451.db2.gz DPLLQRQHFYGNDX-PGUXBMHVSA-N 1 0 298.814 2.415 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(Cl)cc1O ZINC000841746162 639856701 /nfs/dbraw/zinc/85/67/01/639856701.db2.gz VVEOTQJJGBNYKU-GXSJLCMTSA-N 1 0 271.744 2.112 20 10 CECDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(Cl)cc1O ZINC000841747808 639856941 /nfs/dbraw/zinc/85/69/41/639856941.db2.gz DPLLQRQHFYGNDX-ZIBATOQPSA-N 1 0 298.814 2.415 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC1CC[NH2+]CC1 ZINC000841915577 639905403 /nfs/dbraw/zinc/90/54/03/639905403.db2.gz SOXSIKINPKYOPY-UHFFFAOYSA-N 1 0 291.395 2.066 20 10 CECDRO CC(C)C[C@H](C[NH3+])CC(=O)N(C)Cc1ccccc1O ZINC000088277451 639954314 /nfs/dbraw/zinc/95/43/14/639954314.db2.gz GDQMUUCJJLYBNC-ZDUSSCGKSA-N 1 0 278.396 2.362 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000877057883 650552635 /nfs/dbraw/zinc/55/26/35/650552635.db2.gz QVUBIBKLABRKQX-UHFFFAOYSA-N 1 0 283.371 2.320 20 10 CECDRO NC(=O)C1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000312808653 640151586 /nfs/dbraw/zinc/15/15/86/640151586.db2.gz LINAODUNXCGSOV-WXRRBKDZSA-N 1 0 274.364 2.013 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000842721655 640158545 /nfs/dbraw/zinc/15/85/45/640158545.db2.gz VGPUWLJEGRIIJL-ZDUSSCGKSA-N 1 0 276.380 2.190 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1C ZINC000842758220 640171383 /nfs/dbraw/zinc/17/13/83/640171383.db2.gz HBHKCLVBZPVFRX-QGZVFWFLSA-N 1 0 293.407 2.276 20 10 CECDRO CC[C@@H]([NH2+]CCCc1ncn(C)n1)c1ccccc1O ZINC000842902232 640217092 /nfs/dbraw/zinc/21/70/92/640217092.db2.gz MNEDFVQGNXLTKI-CYBMUJFWSA-N 1 0 274.368 2.194 20 10 CECDRO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1ccccc1O ZINC000842918088 640221233 /nfs/dbraw/zinc/22/12/33/640221233.db2.gz YTSLUASGWVWKKL-LRDDRELGSA-N 1 0 279.380 2.220 20 10 CECDRO CN(C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1ccc(N)cc1 ZINC000877077717 650562126 /nfs/dbraw/zinc/56/21/26/650562126.db2.gz RYYSTDNWEAJENN-DZGCQCFKSA-N 1 0 261.369 2.139 20 10 CECDRO Cc1cc(Br)cc(CN(C)[C@H](C)C[NH3+])c1O ZINC000843051918 640254468 /nfs/dbraw/zinc/25/44/68/640254468.db2.gz MHBZZOMPZOLNQF-SECBINFHSA-N 1 0 287.201 2.242 20 10 CECDRO [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3[O-])C[C@@H]21 ZINC000843059280 640261572 /nfs/dbraw/zinc/26/15/72/640261572.db2.gz JBZZVXGKYFFZAD-SCDSUCTJSA-N 1 0 264.344 2.091 20 10 CECDRO COc1cc(N(C)C[C@@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000843065119 640265805 /nfs/dbraw/zinc/26/58/05/640265805.db2.gz DIFBTWAVULWSOT-GFCCVEGCSA-N 1 0 294.395 2.148 20 10 CECDRO Cc1ccc(C[NH2+]CCCNC(=O)C2CCC2)c(O)c1 ZINC000877082065 650563638 /nfs/dbraw/zinc/56/36/38/650563638.db2.gz MOQHTWLJFTZRMB-UHFFFAOYSA-N 1 0 276.380 2.097 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000843124931 640290543 /nfs/dbraw/zinc/29/05/43/640290543.db2.gz QARHSWVYWUCPIF-SNVBAGLBSA-N 1 0 276.714 2.085 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000843128370 640295079 /nfs/dbraw/zinc/29/50/79/640295079.db2.gz WZDUGRNAEFMYIT-SCQSPADBSA-N 1 0 285.435 2.450 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000877094193 650570052 /nfs/dbraw/zinc/57/00/52/650570052.db2.gz IAGQRVDSDZSGDE-WFASDCNBSA-N 1 0 260.381 2.273 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C/C(C)(C)C)cc1 ZINC000843298113 640380580 /nfs/dbraw/zinc/38/05/80/640380580.db2.gz MJTQQUWURDPKGS-AUECHBEKSA-N 1 0 289.423 2.471 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@H](C)[NH3+])c1O ZINC000843346102 640397365 /nfs/dbraw/zinc/39/73/65/640397365.db2.gz LSVAJBNEGJGCIP-ZUZCIYMTSA-N 1 0 294.370 2.436 20 10 CECDRO CC[C@@H](C)NC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350688 640399170 /nfs/dbraw/zinc/39/91/70/640399170.db2.gz WQSNDNQNIVGUBS-OLZOCXBDSA-N 1 0 289.423 2.201 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cn2cccnc2n1 ZINC000843349815 640399239 /nfs/dbraw/zinc/39/92/39/640399239.db2.gz DTTIRFVMEAIHHZ-UHFFFAOYSA-N 1 0 293.374 2.141 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843353952 640400305 /nfs/dbraw/zinc/40/03/05/640400305.db2.gz RUQGEWPQYLFFLR-CMPLNLGQSA-N 1 0 294.370 2.293 20 10 CECDRO C[C@H]([NH3+])CN1CCCc2cc(OC(F)F)ccc21 ZINC000843358795 640402238 /nfs/dbraw/zinc/40/22/38/640402238.db2.gz OXSVWGJXVCGUNN-VIFPVBQESA-N 1 0 256.296 2.388 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@H](C[NH3+])C[C@H]2C)c1O ZINC000843362452 640404385 /nfs/dbraw/zinc/40/43/85/640404385.db2.gz HJAPJFSFDMGZKO-KOLCDFICSA-N 1 0 296.798 2.417 20 10 CECDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1=O ZINC000843416860 640420819 /nfs/dbraw/zinc/42/08/19/640420819.db2.gz YYGHBMASUHXQHZ-LBPRGKRZSA-N 1 0 280.343 2.020 20 10 CECDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000843426821 640426843 /nfs/dbraw/zinc/42/68/43/640426843.db2.gz BKEJVTOAEPWHCS-WCQYABFASA-N 1 0 297.395 2.296 20 10 CECDRO CC[C@@]1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCC[NH2+]1 ZINC000843489465 640441842 /nfs/dbraw/zinc/44/18/42/640441842.db2.gz PIRCSKKSPKCJJO-BZNIZROVSA-N 1 0 292.379 2.110 20 10 CECDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877145745 650593939 /nfs/dbraw/zinc/59/39/39/650593939.db2.gz BJHYLUPLBJQXKU-VXGBXAGGSA-N 1 0 264.369 2.093 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccccc1O ZINC000844313018 640673180 /nfs/dbraw/zinc/67/31/80/640673180.db2.gz PQQFNDNHZGFSAY-TZMCWYRMSA-N 1 0 290.363 2.416 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CC2(O)CCCC2)cc1 ZINC000844402445 640709403 /nfs/dbraw/zinc/70/94/03/640709403.db2.gz XNBHYQHCDOUERV-UHFFFAOYSA-N 1 0 292.423 2.368 20 10 CECDRO Cc1ccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c(O)c1 ZINC000877189946 650618342 /nfs/dbraw/zinc/61/83/42/650618342.db2.gz WXZDHRQDYLPNKT-UHFFFAOYSA-N 1 0 290.407 2.391 20 10 CECDRO CN(C(=O)C1=CC[C@H]([NH3+])C1)c1cccc2cc[nH]c21 ZINC000877199513 650622920 /nfs/dbraw/zinc/62/29/20/650622920.db2.gz UKOFRIIKIKBPKF-LBPRGKRZSA-N 1 0 255.321 2.178 20 10 CECDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000846017897 641153581 /nfs/dbraw/zinc/15/35/81/641153581.db2.gz RBXUQBSZSORFCQ-GXFFZTMASA-N 1 0 255.333 2.418 20 10 CECDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000846018574 641154768 /nfs/dbraw/zinc/15/47/68/641154768.db2.gz USKWQGZHMXBBCX-WCQYABFASA-N 1 0 297.395 2.296 20 10 CECDRO COC(=O)CC1([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000846026623 641155421 /nfs/dbraw/zinc/15/54/21/641155421.db2.gz GQYDUYBNEYGSIT-UHFFFAOYSA-N 1 0 280.343 2.077 20 10 CECDRO C[C@H](CCO)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000846109103 641184132 /nfs/dbraw/zinc/18/41/32/641184132.db2.gz CYDUVHKQCKOAQZ-LLVKDONJSA-N 1 0 254.349 2.094 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1C1CC1 ZINC000846122362 641194125 /nfs/dbraw/zinc/19/41/25/641194125.db2.gz HYYSXANSEKSSMS-UONOGXRCSA-N 1 0 275.348 2.023 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@](C)(O)C2CC2)c1O ZINC000846148259 641202676 /nfs/dbraw/zinc/20/26/76/641202676.db2.gz YUUDXNJBGPZWAO-BMIGLBTASA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCN2CC[C@H](C)C2)c1O ZINC000846149467 641202702 /nfs/dbraw/zinc/20/27/02/641202702.db2.gz ZRCFISXTTIBQJW-STQMWFEESA-N 1 0 278.396 2.393 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)c1O ZINC000846150909 641204406 /nfs/dbraw/zinc/20/44/06/641204406.db2.gz SVIYNGDIBDEYIP-RWMBFGLXSA-N 1 0 295.379 2.245 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)c1O ZINC000846157900 641206604 /nfs/dbraw/zinc/20/66/04/641206604.db2.gz PFOWYRPGLCWBLQ-IUCAKERBSA-N 1 0 293.285 2.365 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC[C@H]2CCOC2)c1O ZINC000846162726 641208517 /nfs/dbraw/zinc/20/85/17/641208517.db2.gz JDDOXGMMWQPCBP-RYUDHWBXSA-N 1 0 265.353 2.478 20 10 CECDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846172923 641212740 /nfs/dbraw/zinc/21/27/40/641212740.db2.gz PPESYYTYJYQJFA-RYUDHWBXSA-N 1 0 283.368 2.103 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)cc1 ZINC000846194627 641219393 /nfs/dbraw/zinc/21/93/93/641219393.db2.gz OOFIZUDBQCJIFT-PBHICJAKSA-N 1 0 292.423 2.335 20 10 CECDRO CCN1C[C@H](C[NH2+][C@H](C)c2cc(F)ccc2O)CC1=O ZINC000846207498 641222195 /nfs/dbraw/zinc/22/21/95/641222195.db2.gz CFUZFEQEIJLQCJ-MNOVXSKESA-N 1 0 280.343 2.050 20 10 CECDRO CC[C@]1(C(=O)N[C@H](C)c2ccccc2O)CCC[NH2+]1 ZINC000877255264 650643392 /nfs/dbraw/zinc/64/33/92/650643392.db2.gz BGSKGXGYVQSBDI-IAQYHMDHSA-N 1 0 262.353 2.102 20 10 CECDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(N)cc1 ZINC000846310287 641268232 /nfs/dbraw/zinc/26/82/32/641268232.db2.gz KZWJMQZUDPBUMN-UHFFFAOYSA-N 1 0 276.384 2.218 20 10 CECDRO CC[NH+](CC)CC(=O)NCc1cc(Cl)ccc1O ZINC000846472335 641309993 /nfs/dbraw/zinc/30/99/93/641309993.db2.gz IEWLVRGBZVBRBY-UHFFFAOYSA-N 1 0 270.760 2.004 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccccc1O ZINC000179874074 641388465 /nfs/dbraw/zinc/38/84/65/641388465.db2.gz IALLMQMISAYQPR-LLVKDONJSA-N 1 0 270.332 2.342 20 10 CECDRO C[NH+](C)[C@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000180057488 641406335 /nfs/dbraw/zinc/40/63/35/641406335.db2.gz FNNQUDVYQJSUAW-ZDUSSCGKSA-N 1 0 252.333 2.057 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000180192844 641425810 /nfs/dbraw/zinc/42/58/10/641425810.db2.gz DUHYMLSQRJXCLO-LLVKDONJSA-N 1 0 279.233 2.030 20 10 CECDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N(C)C)cc1 ZINC000107092181 641756571 /nfs/dbraw/zinc/75/65/71/641756571.db2.gz ZADFMKOYODUUMG-MRXNPFEDSA-N 1 0 261.413 2.327 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)c1 ZINC000185790546 642028885 /nfs/dbraw/zinc/02/88/85/642028885.db2.gz IUADWTQVBIBVQW-NEPJUHHUSA-N 1 0 285.409 2.174 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@](C)(CO)OC)cc1 ZINC000848558241 642052476 /nfs/dbraw/zinc/05/24/76/642052476.db2.gz KOVWHXWRBOLIQL-XJKSGUPXSA-N 1 0 280.412 2.191 20 10 CECDRO Nc1ccc(CC(=O)N2CC[C@@H](C[NH3+])c3ccccc32)cc1 ZINC000877428906 650716464 /nfs/dbraw/zinc/71/64/64/650716464.db2.gz PJSQETAXIJYBDG-AWEZNQCLSA-N 1 0 295.386 2.291 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1 ZINC000848571556 642059579 /nfs/dbraw/zinc/05/95/79/642059579.db2.gz QKBSZFSIALVIMX-WCQYABFASA-N 1 0 290.363 2.334 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCSC[C@H]2CCO)c1 ZINC000770305936 642154608 /nfs/dbraw/zinc/15/46/08/642154608.db2.gz WUWKRBHVFLHWEB-CYBMUJFWSA-N 1 0 267.394 2.000 20 10 CECDRO CCc1cccc(C[N@H+](C)Cc2cnccn2)c1O ZINC000848883975 642168873 /nfs/dbraw/zinc/16/88/73/642168873.db2.gz WPOJGWUCFANXRE-UHFFFAOYSA-N 1 0 257.337 2.377 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1O ZINC000848886417 642172126 /nfs/dbraw/zinc/17/21/26/642172126.db2.gz FGROLYTUMQTHSD-NWDGAFQWSA-N 1 0 299.436 2.208 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c1O ZINC000848890325 642174462 /nfs/dbraw/zinc/17/44/62/642174462.db2.gz SHKAAGZVHPIRPB-MRXNPFEDSA-N 1 0 277.364 2.340 20 10 CECDRO CCc1cccc(C[NH2+]CC2(OC)CCOCC2)c1O ZINC000848899445 642179318 /nfs/dbraw/zinc/17/93/18/642179318.db2.gz OGBVOIUKHDLWJT-UHFFFAOYSA-N 1 0 279.380 2.240 20 10 CECDRO CCc1cccc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1O ZINC000848909479 642185121 /nfs/dbraw/zinc/18/51/21/642185121.db2.gz UZLJRFJHOPTGOQ-LSDHHAIUSA-N 1 0 295.423 2.202 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)NC(C)(C)C ZINC000921612735 642258489 /nfs/dbraw/zinc/25/84/89/642258489.db2.gz DYXJIYKUAOLLTJ-LBPRGKRZSA-N 1 0 290.407 2.404 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c1 ZINC000186185217 642310639 /nfs/dbraw/zinc/31/06/39/642310639.db2.gz ZCQBPVXGCKMVLA-GFCCVEGCSA-N 1 0 297.420 2.176 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000877487041 650745377 /nfs/dbraw/zinc/74/53/77/650745377.db2.gz UBSHXDBPRRLSAR-ZQIUZPCESA-N 1 0 291.391 2.469 20 10 CECDRO O[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921738842 642568430 /nfs/dbraw/zinc/56/84/30/642568430.db2.gz UYRUQMARJCADHV-LSDHHAIUSA-N 1 0 261.365 2.405 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2nc(C)c(C)[nH]2)c1 ZINC000850137592 642590749 /nfs/dbraw/zinc/59/07/49/642590749.db2.gz SQWVTDOGQATQHP-UHFFFAOYSA-N 1 0 261.325 2.031 20 10 CECDRO Cc1ncc(C[NH2+]CCCSc2nccs2)n1C ZINC000850143996 642593114 /nfs/dbraw/zinc/59/31/14/642593114.db2.gz HNULDTJXLFHZLI-UHFFFAOYSA-N 1 0 282.438 2.457 20 10 CECDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921764159 642593905 /nfs/dbraw/zinc/59/39/05/642593905.db2.gz GNBZQMWWSUCUDL-ABAIWWIYSA-N 1 0 281.421 2.214 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1COC(C)(C)C1 ZINC000850341140 642672013 /nfs/dbraw/zinc/67/20/13/642672013.db2.gz AEBWTCWDICUZJG-SNVBAGLBSA-N 1 0 251.326 2.058 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCO[C@@H]3C)C2)cc1 ZINC000850347759 642675206 /nfs/dbraw/zinc/67/52/06/642675206.db2.gz WVNSRXWXGHGIJU-DVOMOZLQSA-N 1 0 276.380 2.041 20 10 CECDRO COc1cc(C[NH2+]C/C=C\CO)c(O)c(C(C)(C)C)c1 ZINC000850357577 642681188 /nfs/dbraw/zinc/68/11/88/642681188.db2.gz OJHSVSDZJYRJPI-WAYWQWQTSA-N 1 0 279.380 2.336 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000850379380 642691243 /nfs/dbraw/zinc/69/12/43/642691243.db2.gz NGDWCYLAYXDALV-NEPJUHHUSA-N 1 0 265.353 2.448 20 10 CECDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850383130 642693192 /nfs/dbraw/zinc/69/31/92/642693192.db2.gz LFFJKAIVWFQKNN-GXTWGEPZSA-N 1 0 266.360 2.406 20 10 CECDRO Cc1cncc(CC[NH2+]Cc2c(O)cccc2Cl)n1 ZINC000850390768 642697520 /nfs/dbraw/zinc/69/75/20/642697520.db2.gz RPXXMCJKZBFLAB-UHFFFAOYSA-N 1 0 277.755 2.476 20 10 CECDRO CC(C)(C)N1C[C@H](C[NH2+]Cc2ccccc2O)CC1=O ZINC000850397378 642699585 /nfs/dbraw/zinc/69/95/85/642699585.db2.gz WXIBIGFIIKQNKO-LBPRGKRZSA-N 1 0 276.380 2.129 20 10 CECDRO CCN1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@@H](C)C1 ZINC000921832297 642705151 /nfs/dbraw/zinc/70/51/51/642705151.db2.gz JJWJUDWQDHLFOL-BBRMVZONSA-N 1 0 274.408 2.441 20 10 CECDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1O)[C@H]1CCOC1 ZINC000850484289 642729004 /nfs/dbraw/zinc/72/90/04/642729004.db2.gz GKEYJPUYBQXPCU-SLEUVZQESA-N 1 0 265.353 2.094 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CCOC3)C2)cc1 ZINC000850489915 642730932 /nfs/dbraw/zinc/73/09/32/642730932.db2.gz XXIITLIUHGVDBV-KFWWJZLASA-N 1 0 290.407 2.289 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CCOC3)C2)cc1 ZINC000850489916 642731028 /nfs/dbraw/zinc/73/10/28/642731028.db2.gz XXIITLIUHGVDBV-KKUMJFAQSA-N 1 0 290.407 2.289 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(N(C)C)cc1 ZINC000850547332 642748258 /nfs/dbraw/zinc/74/82/58/642748258.db2.gz TWSILKJDORGSBQ-ZFWWWQNUSA-N 1 0 275.396 2.072 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000877560403 650789567 /nfs/dbraw/zinc/78/95/67/650789567.db2.gz PXIKPIOMBQDOMV-ZDUSSCGKSA-N 1 0 292.379 2.363 20 10 CECDRO COCC[C@@]1([NH2+]Cc2ccc3c(c2)CCCO3)CCOC1 ZINC000922071429 642864272 /nfs/dbraw/zinc/86/42/72/642864272.db2.gz YPSVADSHJFSAML-QGZVFWFLSA-N 1 0 291.391 2.297 20 10 CECDRO COC[C@@H](CC[NH2+]Cc1ccc2c(c1)CCCO2)OC ZINC000922235752 642971339 /nfs/dbraw/zinc/97/13/39/642971339.db2.gz JVHYPHKRWUJSDK-OAHLLOKOSA-N 1 0 279.380 2.153 20 10 CECDRO CO[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)[C@@H]1CCOC1 ZINC000922237513 642974128 /nfs/dbraw/zinc/97/41/28/642974128.db2.gz ZXPCLTOYRHFRJO-WBVHZDCISA-N 1 0 291.391 2.153 20 10 CECDRO FCCOCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922267149 642991817 /nfs/dbraw/zinc/99/18/17/642991817.db2.gz LTKFWFOBOZTILG-UHFFFAOYSA-N 1 0 253.317 2.087 20 10 CECDRO O=c1[nH]cccc1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922295895 643010035 /nfs/dbraw/zinc/01/00/35/643010035.db2.gz QBIABVCDPMHAGO-UHFFFAOYSA-N 1 0 270.332 2.402 20 10 CECDRO CCOCc1cc(C[NH2+][C@H](C)C(OC)OC)ccc1OC ZINC000922312163 643020396 /nfs/dbraw/zinc/02/03/96/643020396.db2.gz TWEKCOGZBSHOHM-GFCCVEGCSA-N 1 0 297.395 2.329 20 10 CECDRO OC[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922341572 643039894 /nfs/dbraw/zinc/03/98/94/643039894.db2.gz SEYRQVJKKMUDJF-CVEARBPZSA-N 1 0 291.391 2.031 20 10 CECDRO CN(C)c1ccc(C[N@H+](CCc2c[nH]nn2)C2CC2)cc1 ZINC000851732153 643132991 /nfs/dbraw/zinc/13/29/91/643132991.db2.gz KIRJDSSBSCYYNQ-UHFFFAOYSA-N 1 0 285.395 2.078 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc(C)cc1O)C1CCOCC1 ZINC000877623190 650818926 /nfs/dbraw/zinc/81/89/26/650818926.db2.gz YYIJRJSMHRVGLS-HNNXBMFYSA-N 1 0 279.380 2.232 20 10 CECDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000922641315 643179812 /nfs/dbraw/zinc/17/98/12/643179812.db2.gz KIFDXQZPJYHHBO-ZWNOBZJWSA-N 1 0 252.333 2.016 20 10 CECDRO Cc1ccc(C[NH2+][C@@](C)(CO)c2cccc(O)c2)c(O)c1 ZINC000877648223 650832029 /nfs/dbraw/zinc/83/20/29/650832029.db2.gz MGWWEUVNGZAUFZ-KRWDZBQOSA-N 1 0 287.359 2.404 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1O ZINC000852669549 643506690 /nfs/dbraw/zinc/50/66/90/643506690.db2.gz PSIWJKVRBRONGK-DGCLKSJQSA-N 1 0 293.338 2.202 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2C[C@H](CO)C2)cc1 ZINC000923004537 643508305 /nfs/dbraw/zinc/50/83/05/643508305.db2.gz GGXYELFMFKVBFB-DIGCIXNNSA-N 1 0 260.381 2.126 20 10 CECDRO CCN(C(=O)C=C1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000852814007 643562541 /nfs/dbraw/zinc/56/25/41/643562541.db2.gz HKTASZSTWOCFBU-UHFFFAOYSA-N 1 0 274.364 2.358 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1O ZINC000877683583 650849112 /nfs/dbraw/zinc/84/91/12/650849112.db2.gz YIFCQYXKWUWPRI-OJKRMQCYSA-N 1 0 259.349 2.214 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1O ZINC000877693776 650854625 /nfs/dbraw/zinc/85/46/25/650854625.db2.gz QSEQFLOBQWCHAQ-PELKAZGASA-N 1 0 277.286 2.356 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC1(O)CCC(C)CC1 ZINC000853092510 643650009 /nfs/dbraw/zinc/65/00/09/643650009.db2.gz WHWMQGIMRZGOPU-UHFFFAOYSA-N 1 0 279.380 2.432 20 10 CECDRO COCC[N@H+](CCF)Cc1cc(C)c(C)cc1O ZINC000853548951 643811814 /nfs/dbraw/zinc/81/18/14/643811814.db2.gz VCTVDECAOCBNIN-UHFFFAOYSA-N 1 0 255.333 2.427 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1C ZINC000853554614 643811872 /nfs/dbraw/zinc/81/18/72/643811872.db2.gz BPBZBEDQWRNISE-DZGCQCFKSA-N 1 0 288.391 2.110 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1O ZINC000853585394 643823854 /nfs/dbraw/zinc/82/38/54/643823854.db2.gz GVYRBWOFWZOGHF-OCCSQVGLSA-N 1 0 277.364 2.178 20 10 CECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc(C)c(C)cc1O)C2 ZINC000877724659 650872491 /nfs/dbraw/zinc/87/24/91/650872491.db2.gz RTYFIYVDDHUABW-KEYYUXOJSA-N 1 0 289.375 2.440 20 10 CECDRO COc1cccc(C[NH2+]Cc2c(C)noc2C)c1O ZINC000112017511 644016758 /nfs/dbraw/zinc/01/67/58/644016758.db2.gz BBQICGSPKQSZCG-UHFFFAOYSA-N 1 0 262.309 2.295 20 10 CECDRO CC1(C)C[C@@H](O)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC000877753021 650897106 /nfs/dbraw/zinc/89/71/06/650897106.db2.gz VDUHEXKDBAAJPI-GFCCVEGCSA-N 1 0 253.317 2.124 20 10 CECDRO CCn1nnc(C)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000877758086 650900099 /nfs/dbraw/zinc/90/00/99/650900099.db2.gz IHWNFWUYKBCVJA-JTQLQIEISA-N 1 0 260.341 2.163 20 10 CECDRO CC[C@H](C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839513357 644240404 /nfs/dbraw/zinc/24/04/04/644240404.db2.gz XDMMPFFWSDFQJF-ZDUSSCGKSA-N 1 0 277.412 2.099 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COCC2CC2)c(O)c1C ZINC000756511026 644657203 /nfs/dbraw/zinc/65/72/03/644657203.db2.gz KXBPDMOFEYEBQY-DZGCQCFKSA-N 1 0 293.407 2.447 20 10 CECDRO C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756546575 644662765 /nfs/dbraw/zinc/66/27/65/644662765.db2.gz SEWJPITZBZOSII-NSHDSACASA-N 1 0 293.367 2.293 20 10 CECDRO CC[S@](=O)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756573839 644670212 /nfs/dbraw/zinc/67/02/12/644670212.db2.gz CMIGFEMMXGAWSP-SGTLLEGYSA-N 1 0 269.410 2.428 20 10 CECDRO CCc1nncn1CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756618893 644674914 /nfs/dbraw/zinc/67/49/14/644674914.db2.gz CSJXFFYSZZWBCQ-LBPRGKRZSA-N 1 0 274.368 2.205 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cc(Cl)ccc1O ZINC000756638366 644677100 /nfs/dbraw/zinc/67/71/00/644677100.db2.gz OSSZWAZKOSYZCJ-BXKDBHETSA-N 1 0 282.771 2.317 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1CO ZINC000856796010 644728400 /nfs/dbraw/zinc/72/84/00/644728400.db2.gz MXALOZWQBPCNQL-HIFRSBDPSA-N 1 0 262.397 2.203 20 10 CECDRO CCCNC(=O)CCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000839539101 644741821 /nfs/dbraw/zinc/74/18/21/644741821.db2.gz JEKNAWVHOVHMIT-LBPRGKRZSA-N 1 0 294.395 2.358 20 10 CECDRO C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843058486 644773185 /nfs/dbraw/zinc/77/31/85/644773185.db2.gz UIAHEKIYZLQXAF-VHSXEESVSA-N 1 0 254.761 2.215 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CC(CC3CC3)C1)OCO2 ZINC000857065931 644807443 /nfs/dbraw/zinc/80/74/43/644807443.db2.gz CAGBXFRMEPAWRE-UHFFFAOYSA-N 1 0 261.321 2.353 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1F ZINC000858191878 645084780 /nfs/dbraw/zinc/08/47/80/645084780.db2.gz DMUUFWCSVLDQGD-CABCVRRESA-N 1 0 296.361 2.424 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC[C@@H]1CCCOC1 ZINC000858205840 645087316 /nfs/dbraw/zinc/08/73/16/645087316.db2.gz CSMGKSFOSZDMRC-LBPRGKRZSA-N 1 0 265.353 2.307 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1F ZINC000858249847 645099157 /nfs/dbraw/zinc/09/91/57/645099157.db2.gz ZHLLAEAWAQFQKM-JOCQHMNTSA-N 1 0 293.386 2.025 20 10 CECDRO CC(C)CN(CC[NH+](C)C)C(=O)C1=CC(=O)CS1 ZINC000760172651 645117661 /nfs/dbraw/zinc/11/76/61/645117661.db2.gz NLFJRZOZPLZXMG-UHFFFAOYSA-N 1 0 270.398 2.114 20 10 CECDRO Cc1cc(C2([NH2+]Cc3ccccc3O)CCOCC2)on1 ZINC000858326003 645119203 /nfs/dbraw/zinc/11/92/03/645119203.db2.gz SRWJSTMRIGAUDP-UHFFFAOYSA-N 1 0 288.347 2.484 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](CO)c2ccnn2C)c(O)c1 ZINC000858435366 645158753 /nfs/dbraw/zinc/15/87/53/645158753.db2.gz GRIYFCXEQNROFE-OLZOCXBDSA-N 1 0 289.379 2.127 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000858468185 645170868 /nfs/dbraw/zinc/17/08/68/645170868.db2.gz CNYSOVUMKGMPSJ-GVDBMIGSSA-N 1 0 292.423 2.333 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1O ZINC000858495178 645180830 /nfs/dbraw/zinc/18/08/30/645180830.db2.gz WVKJTSCSYNDFCO-FXPVBKGRSA-N 1 0 282.771 2.269 20 10 CECDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)OC)c1ccc(N(C)C)cc1 ZINC000858586725 645213437 /nfs/dbraw/zinc/21/34/37/645213437.db2.gz JTOREOPWOQPTOA-DOMZBBRYSA-N 1 0 293.411 2.202 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(F)ccc1O ZINC000858602650 645217839 /nfs/dbraw/zinc/21/78/39/645217839.db2.gz FSCBPVWCGMJUID-YGRLFVJLSA-N 1 0 292.354 2.335 20 10 CECDRO OCCC1([NH2+]Cc2cc(Cl)ccc2O)CCOCC1 ZINC000761992828 645346766 /nfs/dbraw/zinc/34/67/66/645346766.db2.gz HZYIIXDNHFECDA-UHFFFAOYSA-N 1 0 285.771 2.067 20 10 CECDRO COC(=O)CCC(C)(C)[NH2+]Cc1cccc(OC)c1O ZINC000762788712 645451173 /nfs/dbraw/zinc/45/11/73/645451173.db2.gz WPKOJONSEOGNEK-UHFFFAOYSA-N 1 0 281.352 2.222 20 10 CECDRO CO[C@]1(C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCOC1 ZINC000763570480 645558171 /nfs/dbraw/zinc/55/81/71/645558171.db2.gz FEFZJCSOYIJWJQ-XAGWURHQSA-N 1 0 295.354 2.475 20 10 CECDRO C[N@H+](CCCNC(=O)C1CCC1)Cc1cc(F)ccc1O ZINC000763620989 645561792 /nfs/dbraw/zinc/56/17/92/645561792.db2.gz ABYOZUQFWZXPTM-UHFFFAOYSA-N 1 0 294.370 2.270 20 10 CECDRO CO[C@]1(C[NH2+]Cc2cc(Cl)cc(C)c2O)CCOC1 ZINC000764684591 645674800 /nfs/dbraw/zinc/67/48/00/645674800.db2.gz ZBMYJWDOEPPYSS-AWEZNQCLSA-N 1 0 285.771 2.249 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(N(C)C)cc1 ZINC000765769581 645807098 /nfs/dbraw/zinc/80/70/98/645807098.db2.gz LHVHGFBIGZGCMC-GDBMZVCRSA-N 1 0 261.413 2.497 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000765796073 645811204 /nfs/dbraw/zinc/81/12/04/645811204.db2.gz MLZXRRWJIJIUKC-ZIAGYGMSSA-N 1 0 276.380 2.013 20 10 CECDRO CC[C@@H]([NH2+]C[C@@](C)(O)COC)c1ccc(N(C)C)cc1 ZINC000765934133 645823061 /nfs/dbraw/zinc/82/30/61/645823061.db2.gz AEJSOKCIPLFTOE-HZPDHXFCSA-N 1 0 280.412 2.191 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(CCO)CC2)cc1 ZINC000768238513 646099761 /nfs/dbraw/zinc/09/97/61/646099761.db2.gz ZWBMALBYVDEZKY-UHFFFAOYSA-N 1 0 262.397 2.347 20 10 CECDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441714 646122483 /nfs/dbraw/zinc/12/24/83/646122483.db2.gz GPDILEMOADUJQJ-HIFRSBDPSA-N 1 0 277.364 2.438 20 10 CECDRO COc1cc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)c(O)cc1C ZINC000768445152 646123594 /nfs/dbraw/zinc/12/35/94/646123594.db2.gz FWRNLOPSUAUREF-OAHLLOKOSA-N 1 0 290.407 2.378 20 10 CECDRO COc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c(O)cc1C ZINC000768461490 646126627 /nfs/dbraw/zinc/12/66/27/646126627.db2.gz DFKIPLPUGCKTSH-TZMCWYRMSA-N 1 0 279.380 2.445 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCOC(C)(C)C1 ZINC000768843285 646172459 /nfs/dbraw/zinc/17/24/59/646172459.db2.gz WLQFSYQXMJWBMK-UHFFFAOYSA-N 1 0 251.326 2.012 20 10 CECDRO COc1cccc(O)c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000769229859 646227853 /nfs/dbraw/zinc/22/78/53/646227853.db2.gz TVVRLRZAHJLJNP-ZDUSSCGKSA-N 1 0 276.380 2.071 20 10 CECDRO CC[N@@H+]1CCN(Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000769379597 646256337 /nfs/dbraw/zinc/25/63/37/646256337.db2.gz BYKMINZZUCCXKO-CQSZACIVSA-N 1 0 261.413 2.279 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000770279157 646376212 /nfs/dbraw/zinc/37/62/12/646376212.db2.gz FSCQYMXOFAFAMY-WFASDCNBSA-N 1 0 295.404 2.107 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770285917 646376650 /nfs/dbraw/zinc/37/66/50/646376650.db2.gz LSNBGXOZXUEVOH-JSGCOSHPSA-N 1 0 277.364 2.402 20 10 CECDRO CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(O)c1 ZINC000770291266 646377211 /nfs/dbraw/zinc/37/72/11/646377211.db2.gz FRMVLVNITDECOV-WFASDCNBSA-N 1 0 279.380 2.384 20 10 CECDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1CCNC1=O ZINC000770377501 646384154 /nfs/dbraw/zinc/38/41/54/646384154.db2.gz ACDNNHKEWFECPG-MRXNPFEDSA-N 1 0 296.370 2.380 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@]2(C)CO)cc1F ZINC000862336956 646403216 /nfs/dbraw/zinc/40/32/16/646403216.db2.gz OJANVTORQJAOEC-HNNXBMFYSA-N 1 0 284.350 2.378 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000770665771 646423564 /nfs/dbraw/zinc/42/35/64/646423564.db2.gz OGCKMZRTNNRWPO-UHFFFAOYSA-N 1 0 283.755 2.479 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](O)CC2)cc1F ZINC000862380772 646427047 /nfs/dbraw/zinc/42/70/47/646427047.db2.gz MTEULCXSMMZGMO-LBPRGKRZSA-N 1 0 284.350 2.378 20 10 CECDRO CCOc1ccc(C[N@H+](C)CC2(C)COC2)c(O)c1 ZINC000862477929 646472835 /nfs/dbraw/zinc/47/28/35/646472835.db2.gz VFRZJJDGZWGGAE-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccc(N(C)C)cc1 ZINC000772980902 646692232 /nfs/dbraw/zinc/69/22/32/646692232.db2.gz NAHQVCFIONRKGL-CYBMUJFWSA-N 1 0 289.423 2.462 20 10 CECDRO [NH3+]CCCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000863485023 646740536 /nfs/dbraw/zinc/74/05/36/646740536.db2.gz RQPMURBNRQXIIF-UHFFFAOYSA-N 1 0 293.194 2.154 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)[C@H](C)C[S@](C)=O)cc1 ZINC000773839843 646779447 /nfs/dbraw/zinc/77/94/47/646779447.db2.gz OATVSKHYQQVQAI-YJYMSZOUSA-N 1 0 282.453 2.342 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1 ZINC000773846869 646780064 /nfs/dbraw/zinc/78/00/64/646780064.db2.gz LHIPTTUFKYKLHX-BBRMVZONSA-N 1 0 262.397 2.345 20 10 CECDRO CCN(C)c1ccc(CN2CCC[C@@]23CCOC3=O)cc1 ZINC000773845902 646780184 /nfs/dbraw/zinc/78/01/84/646780184.db2.gz JSCVVKRNHJDAAN-KRWDZBQOSA-N 1 0 288.391 2.424 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000773857875 646781556 /nfs/dbraw/zinc/78/15/56/646781556.db2.gz MHYXSOKZQWAUIU-KRWDZBQOSA-N 1 0 290.407 2.134 20 10 CECDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000774830419 646900569 /nfs/dbraw/zinc/90/05/69/646900569.db2.gz CNUWGFNUZHOHKH-MFKMUULPSA-N 1 0 279.336 2.026 20 10 CECDRO C[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccccc1O ZINC000775135860 646926052 /nfs/dbraw/zinc/92/60/52/646926052.db2.gz GZUKVHLEEZHBKT-IAQYHMDHSA-N 1 0 270.332 2.269 20 10 CECDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2O)C1 ZINC000775348200 646944224 /nfs/dbraw/zinc/94/42/24/646944224.db2.gz UIFIKCXKQLQCCG-OCCSQVGLSA-N 1 0 292.379 2.349 20 10 CECDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccccc2O)C1 ZINC000775348199 646944317 /nfs/dbraw/zinc/94/43/17/646944317.db2.gz UIFIKCXKQLQCCG-JSGCOSHPSA-N 1 0 292.379 2.349 20 10 CECDRO CC[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccccc1O ZINC000775501088 646960808 /nfs/dbraw/zinc/96/08/08/646960808.db2.gz BRXWFASMBSCOTI-HIFRSBDPSA-N 1 0 278.396 2.154 20 10 CECDRO CC[C@H]([NH2+]CC[C@@H](O)COC)c1cc(Cl)ccc1O ZINC000775526558 646962584 /nfs/dbraw/zinc/96/25/84/646962584.db2.gz RXOAFLGXKSPJOM-YPMHNXCESA-N 1 0 287.787 2.484 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CCO)C2)cc1OC ZINC000775682494 646980744 /nfs/dbraw/zinc/98/07/44/646980744.db2.gz ZCBIJVTVYQZZFV-GFCCVEGCSA-N 1 0 295.379 2.004 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1O ZINC000775687104 646981040 /nfs/dbraw/zinc/98/10/40/646981040.db2.gz VQWBWXMQTXBBCN-OAHLLOKOSA-N 1 0 288.391 2.287 20 10 CECDRO C[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1ccc(N(C)C)cc1 ZINC000775832336 646997240 /nfs/dbraw/zinc/99/72/40/646997240.db2.gz ZBTZLLSGMLYIAM-ZDUSSCGKSA-N 1 0 289.423 2.272 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000775983066 647013160 /nfs/dbraw/zinc/01/31/60/647013160.db2.gz ARUCPGYTYIQZPG-STQMWFEESA-N 1 0 278.396 2.315 20 10 CECDRO C[C@H]1[C@H](C)[N@H+](Cc2ccc(N(C)C)cc2)CCN1C ZINC000775986903 647014241 /nfs/dbraw/zinc/01/42/41/647014241.db2.gz SNMLISOYSZIKOX-KBPBESRZSA-N 1 0 261.413 2.277 20 10 CECDRO C[C@H]1C[C@H]1NC(=[NH2+])NCc1ccc(N2CC=CC2)cc1 ZINC000864462689 647017560 /nfs/dbraw/zinc/01/75/60/647017560.db2.gz WQGZIGXCEMFWGH-SWLSCSKDSA-N 1 0 270.380 2.085 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c(O)c1 ZINC000777223014 647121586 /nfs/dbraw/zinc/12/15/86/647121586.db2.gz VNSHLJCBKICETE-MRXNPFEDSA-N 1 0 277.364 2.402 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000777218565 647121835 /nfs/dbraw/zinc/12/18/35/647121835.db2.gz BLVDLSPYBDZNBS-NSHDSACASA-N 1 0 294.395 2.136 20 10 CECDRO CCC1([NH2+]Cc2cc(OC)c(OC)cc2O)CCOCC1 ZINC000777505175 647142656 /nfs/dbraw/zinc/14/26/56/647142656.db2.gz KWIAQEKATXLMEV-UHFFFAOYSA-N 1 0 295.379 2.458 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000778216492 647211741 /nfs/dbraw/zinc/21/17/41/647211741.db2.gz OSOQNJZAKWYOBM-DGCLKSJQSA-N 1 0 265.353 2.042 20 10 CECDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000779106252 647289092 /nfs/dbraw/zinc/28/90/92/647289092.db2.gz BACBXJKHLVUVNG-HZMBPMFUSA-N 1 0 253.317 2.436 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000865692846 647426260 /nfs/dbraw/zinc/42/62/60/647426260.db2.gz GTUUCVRXJZYIOC-GMBUGEKQSA-N 1 0 272.392 2.266 20 10 CECDRO COc1cccc(C[NH2+]CC[C@@H](O)C2CCCC2)c1O ZINC000865874762 647517220 /nfs/dbraw/zinc/51/72/20/647517220.db2.gz IGNJPTPXTFTDOR-CQSZACIVSA-N 1 0 279.380 2.432 20 10 CECDRO O=C1NCC2(CC[NH+](Cc3c(O)cccc3Cl)CC2)O1 ZINC000783722572 647751316 /nfs/dbraw/zinc/75/13/16/647751316.db2.gz GEGGSCHLQGHRGE-UHFFFAOYSA-N 1 0 296.754 2.120 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c(O)c1 ZINC000866412906 647778530 /nfs/dbraw/zinc/77/85/30/647778530.db2.gz NSIGRNMUIKHKCH-KGLIPLIRSA-N 1 0 292.423 2.196 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H](O)C(F)(F)F ZINC000866466076 647796655 /nfs/dbraw/zinc/79/66/55/647796655.db2.gz YUYLSYJPFRCTQO-RNSXUZJQSA-N 1 0 263.259 2.355 20 10 CECDRO CC[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(Cl)ccc1O ZINC000866497512 647806780 /nfs/dbraw/zinc/80/67/80/647806780.db2.gz HRBIUEPAWDDJJR-OUCADQQQSA-N 1 0 285.771 2.236 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@]2(C)CCO[C@H]2C)c1 ZINC000784641358 647871503 /nfs/dbraw/zinc/87/15/03/647871503.db2.gz XQAWSJTWWIVMJA-NHYWBVRUSA-N 1 0 265.353 2.448 20 10 CECDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868013449 648021632 /nfs/dbraw/zinc/02/16/32/648021632.db2.gz HMCNXQDQEZZNQF-CHWSQXEVSA-N 1 0 291.395 2.237 20 10 CECDRO CC[N@H+](CCNC(=O)N[C@@H](C)c1ccccc1O)C1CC1 ZINC000868218826 648075371 /nfs/dbraw/zinc/07/53/71/648075371.db2.gz LYMUYWCNQYDPND-LBPRGKRZSA-N 1 0 291.395 2.237 20 10 CECDRO C[NH+](C)Cc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000790516883 648425630 /nfs/dbraw/zinc/42/56/30/648425630.db2.gz ZCBIGBVBPNLBHQ-UHFFFAOYSA-N 1 0 286.331 2.412 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CC=CCC2)cc1C ZINC000793322614 648742583 /nfs/dbraw/zinc/74/25/83/648742583.db2.gz OHLVYGXBBVHURB-UHFFFAOYSA-N 1 0 260.381 2.361 20 10 CECDRO COc1ccc(C[NH2+]Cc2cnn(C(C)C)c2)c(O)c1 ZINC000793390405 648749058 /nfs/dbraw/zinc/74/90/58/648749058.db2.gz QMJQBKYKRAUVEO-UHFFFAOYSA-N 1 0 275.352 2.468 20 10 CECDRO CC(C)([NH2+]Cc1ccc2c(c1)CCO2)C(=O)N1CCCC1 ZINC000793394807 648749768 /nfs/dbraw/zinc/74/97/68/648749768.db2.gz MAUUDHAUDVEKSX-UHFFFAOYSA-N 1 0 288.391 2.112 20 10 CECDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)C[C@@H]21 ZINC000793652540 648785708 /nfs/dbraw/zinc/78/57/08/648785708.db2.gz ANKAMVHFPCOSGR-QLPKVWCKSA-N 1 0 297.354 2.396 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@](C)(O)CC2)c1O ZINC000794672452 648900833 /nfs/dbraw/zinc/90/08/33/648900833.db2.gz MMLWLFQPYKIZTA-INIZCTEOSA-N 1 0 279.380 2.446 20 10 CECDRO C[C@H](NC(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccccc1O ZINC000870988276 648971275 /nfs/dbraw/zinc/97/12/75/648971275.db2.gz LEGXVUSLORCYRP-BLLLJJGKSA-N 1 0 296.370 2.456 20 10 CECDRO C[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccccc1O ZINC000870987765 648971316 /nfs/dbraw/zinc/97/13/16/648971316.db2.gz DAHAMODLMJZLMY-GMXVVIOVSA-N 1 0 262.353 2.087 20 10 CECDRO CC(C)[NH+]1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871202216 649030751 /nfs/dbraw/zinc/03/07/51/649030751.db2.gz AMIHDPMABMWFGT-UHFFFAOYSA-N 1 0 288.391 2.355 20 10 CECDRO C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000873271280 649620371 /nfs/dbraw/zinc/62/03/71/649620371.db2.gz GPPRIFYAYMJGRX-QWRGUYRKSA-N 1 0 293.367 2.339 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000124549813 649687478 /nfs/dbraw/zinc/68/74/78/649687478.db2.gz GRBWAUZIMYAYEC-JTQLQIEISA-N 1 0 277.755 2.416 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCn2ccnc2)c1 ZINC000020506221 649790235 /nfs/dbraw/zinc/79/02/35/649790235.db2.gz RBELSKAVXFANMF-GFCCVEGCSA-N 1 0 275.352 2.338 20 10 CECDRO C[C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccccc1O ZINC000879648451 651335057 /nfs/dbraw/zinc/33/50/57/651335057.db2.gz PTDRFRAHGXQNJA-SECBINFHSA-N 1 0 290.285 2.064 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1ccccc1O ZINC000879649578 651335468 /nfs/dbraw/zinc/33/54/68/651335468.db2.gz WLEWJUVRPTZGFJ-GHMZBOCLSA-N 1 0 261.321 2.139 20 10 CECDRO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651965 651335947 /nfs/dbraw/zinc/33/59/47/651335947.db2.gz RDYNGXPJHOKLML-NWDGAFQWSA-N 1 0 264.369 2.348 20 10 CECDRO CCCCCNC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879653706 651336137 /nfs/dbraw/zinc/33/61/37/651336137.db2.gz TYLCWRQPORWINB-LBPRGKRZSA-N 1 0 264.369 2.349 20 10 CECDRO CCC[C@@H]([NH3+])c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272152 651657797 /nfs/dbraw/zinc/65/77/97/651657797.db2.gz ODQYKKCBXBFJHH-CQSZACIVSA-N 1 0 273.384 2.192 20 10 CECDRO CC[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881849695 651901289 /nfs/dbraw/zinc/90/12/89/651901289.db2.gz TYTVWBHRHRCMSZ-CQSZACIVSA-N 1 0 289.423 2.101 20 10 CECDRO C[C@@H](CC[NH2+]Cc1c(O)cccc1Cl)[S@@](C)=O ZINC000129391577 651937305 /nfs/dbraw/zinc/93/73/05/651937305.db2.gz RDJFLVPVJHTQEE-XYZCENFISA-N 1 0 275.801 2.292 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccncc1N ZINC000883003237 652318347 /nfs/dbraw/zinc/31/83/47/652318347.db2.gz FRODDTRCSVKCJU-UHFFFAOYSA-N 1 0 270.380 2.328 20 10 CECDRO CC[C@]1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000214497813 652405696 /nfs/dbraw/zinc/40/56/96/652405696.db2.gz VVYNHTSTCGSZMD-QGZVFWFLSA-N 1 0 289.423 2.243 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1cc(F)ccc1O ZINC000883395360 652454281 /nfs/dbraw/zinc/45/42/81/652454281.db2.gz RWIMCRKRFMBPEH-ZWNOBZJWSA-N 1 0 292.354 2.193 20 10 CECDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000131890669 652479081 /nfs/dbraw/zinc/47/90/81/652479081.db2.gz LWRDNYNVFKEPTM-CHWSQXEVSA-N 1 0 296.386 2.348 20 10 CECDRO COCC[NH+](CCOC)Cc1cc(Cl)ccc1O ZINC000133409491 652626570 /nfs/dbraw/zinc/62/65/70/652626570.db2.gz YVQURMUHLLVQKB-UHFFFAOYSA-N 1 0 273.760 2.140 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CCCn1cccn1 ZINC000134491294 652846878 /nfs/dbraw/zinc/84/68/78/652846878.db2.gz WXTANOBJKWGERN-UHFFFAOYSA-N 1 0 265.744 2.422 20 10 CECDRO CC[C@@]1(C(=O)NCCCSc2nccs2)CCC[NH2+]1 ZINC000134499383 652847247 /nfs/dbraw/zinc/84/72/47/652847247.db2.gz PWEJDBHTHOGJLO-ZDUSSCGKSA-N 1 0 299.465 2.274 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC(=O)NC(C)(C)C)cc1 ZINC000134593288 652857797 /nfs/dbraw/zinc/85/77/97/652857797.db2.gz ZGCPCTLQNLFGLS-UHFFFAOYSA-N 1 0 277.412 2.147 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](CC)CCO)c1O ZINC000134986468 652900687 /nfs/dbraw/zinc/90/06/87/652900687.db2.gz BFVOURQGHWAGOF-GFCCVEGCSA-N 1 0 253.342 2.042 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CCCCC2)c1 ZINC000135728307 652984016 /nfs/dbraw/zinc/98/40/16/652984016.db2.gz PBVPUOLPSQXXHM-GFCCVEGCSA-N 1 0 292.379 2.064 20 10 CECDRO CC[C@@H]([NH2+]CC(=O)N(CC)CC)c1ccccc1O ZINC000135734480 652984463 /nfs/dbraw/zinc/98/44/63/652984463.db2.gz BADVZWVISFHGCR-CYBMUJFWSA-N 1 0 264.369 2.301 20 10 CECDRO C[C@]1([NH3+])CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001204782466 805952411 /nfs/dbraw/zinc/95/24/11/805952411.db2.gz FJBZUAJJBSFFPT-SFHVURJKSA-N 1 0 285.435 2.309 20 10 CECDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000394102440 802345039 /nfs/dbraw/zinc/34/50/39/802345039.db2.gz DOIRHXCDPOXOTG-CQSZACIVSA-N 1 0 250.386 2.107 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCO[C@@H]1CC1(F)F)CC2 ZINC000690723688 802880803 /nfs/dbraw/zinc/88/08/03/802880803.db2.gz BFRBYWQWZNCAIV-ZYHUDNBSSA-N 1 0 269.291 2.393 20 10 CECDRO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1O ZINC000723547375 802885623 /nfs/dbraw/zinc/88/56/23/802885623.db2.gz HBPHMDKIZBQWIP-GHMZBOCLSA-N 1 0 280.343 2.050 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c1 ZINC000690732073 803079537 /nfs/dbraw/zinc/07/95/37/803079537.db2.gz OKTCELUTNXOTAZ-TVQRCGJNSA-N 1 0 287.306 2.476 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000690781904 803480411 /nfs/dbraw/zinc/48/04/11/803480411.db2.gz NSYCVICMZMSNSB-RISCZKNCSA-N 1 0 263.337 2.012 20 10 CECDRO COC[C@@H](CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000694362282 803539661 /nfs/dbraw/zinc/53/96/61/803539661.db2.gz VQWBFQVFWCYXLX-XJKSGUPXSA-N 1 0 280.412 2.455 20 10 CECDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC001117779001 814947965 /nfs/dbraw/zinc/94/79/65/814947965.db2.gz CWQRAJSMMCSADS-WUHRBBMRSA-N 1 0 288.391 2.493 20 10 CECDRO Cc1ccc(C)n1-c1ccc(CN2CC[NH2+]CC2)cc1 ZINC001204630774 803618347 /nfs/dbraw/zinc/61/83/47/803618347.db2.gz VULIFGFIQMTKFH-UHFFFAOYSA-N 1 0 269.392 2.499 20 10 CECDRO CC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000037138455 815026281 /nfs/dbraw/zinc/02/62/81/815026281.db2.gz NOIQPXYOKXAHRW-NSHDSACASA-N 1 0 262.353 2.054 20 10 CECDRO COCC1([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001118800845 815046049 /nfs/dbraw/zinc/04/60/49/815046049.db2.gz FJTZVPQTNFALTR-UHFFFAOYSA-N 1 0 270.323 2.299 20 10 CECDRO CO[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232834713 807323696 /nfs/dbraw/zinc/32/36/96/807323696.db2.gz KGAMUOLRIQJGGX-AWEZNQCLSA-N 1 0 264.369 2.069 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CC)C[C@@H](C)O)c1O ZINC000716798690 815147277 /nfs/dbraw/zinc/14/72/77/815147277.db2.gz JJEIUTLLOLYURA-YPMHNXCESA-N 1 0 267.369 2.430 20 10 CECDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(OC)ccc1O ZINC000716915425 815159881 /nfs/dbraw/zinc/15/98/81/815159881.db2.gz KJYWECTXIMETTL-ZYHUDNBSSA-N 1 0 253.342 2.040 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(Cl)c1 ZINC001236800544 808167626 /nfs/dbraw/zinc/16/76/26/808167626.db2.gz ZYEBYKYGDUQXMT-ZANVPECISA-N 1 0 285.771 2.257 20 10 CECDRO Nc1ccc(C[NH+]2CCN(c3cccc(O)c3)CC2)cc1 ZINC001120263799 815209436 /nfs/dbraw/zinc/20/94/36/815209436.db2.gz VYQMALIFYLWXFU-UHFFFAOYSA-N 1 0 283.375 2.297 20 10 CECDRO CCN1CC[C@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CC1=O ZINC001172045696 815278111 /nfs/dbraw/zinc/27/81/11/815278111.db2.gz AWRBSBOIWSCKFW-INIZCTEOSA-N 1 0 289.423 2.195 20 10 CECDRO Cc1cc(CN2CCCc3cc(C[NH3+])ccc32)nn1C ZINC000700813729 809357596 /nfs/dbraw/zinc/35/75/96/809357596.db2.gz OSBVWGBVARLCAN-UHFFFAOYSA-N 1 0 270.380 2.140 20 10 CECDRO CCCCOC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000700969976 809374665 /nfs/dbraw/zinc/37/46/65/809374665.db2.gz RRPRXHLQHJJXIK-UHFFFAOYSA-N 1 0 276.380 2.241 20 10 CECDRO CC[C@@H](O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000701016887 809379187 /nfs/dbraw/zinc/37/91/87/809379187.db2.gz ZYSINOSQJIPYSP-LLVKDONJSA-N 1 0 288.185 2.405 20 10 CECDRO COc1ccc(C[NH2+]C2CCC(C)(O)CC2)c(O)c1 ZINC000703549227 809661181 /nfs/dbraw/zinc/66/11/81/809661181.db2.gz OJNORXCUYXTSJC-UHFFFAOYSA-N 1 0 265.353 2.184 20 10 CECDRO O=C1NCCCC12CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001137838912 809812653 /nfs/dbraw/zinc/81/26/53/809812653.db2.gz MHFPGXUKURHNSN-UHFFFAOYSA-N 1 0 292.354 2.024 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CC[C@H]2SC)c1O ZINC000706475473 809825426 /nfs/dbraw/zinc/82/54/26/809825426.db2.gz HJUUXGLFDKNTLI-CMPLNLGQSA-N 1 0 253.367 2.384 20 10 CECDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCC[C@H]1O ZINC000706804252 809854704 /nfs/dbraw/zinc/85/47/04/809854704.db2.gz GMUASOBRVCPEHY-ZYHUDNBSSA-N 1 0 286.169 2.158 20 10 CECDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000706812879 809855462 /nfs/dbraw/zinc/85/54/62/809855462.db2.gz GEXQFNPSWSPAGU-NEPJUHHUSA-N 1 0 286.169 2.422 20 10 CECDRO CCN1CC[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000708678822 809933142 /nfs/dbraw/zinc/93/31/42/809933142.db2.gz BOVLLJOATXZOBR-WFASDCNBSA-N 1 0 275.396 2.024 20 10 CECDRO CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Cl)cc2O)C1=O ZINC001273164476 810073418 /nfs/dbraw/zinc/07/34/18/810073418.db2.gz WGBIXPAZNMLSOF-HNNXBMFYSA-N 1 0 294.782 2.242 20 10 CECDRO CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172314917 815367501 /nfs/dbraw/zinc/36/75/01/815367501.db2.gz IACTWOUZRHVTEB-BFQNTYOBSA-N 1 0 297.395 2.315 20 10 CECDRO CN(C(=O)[C@]12CC[NH2+][C@H]1CCCC2)c1ccc(N)cc1 ZINC001122094982 815384529 /nfs/dbraw/zinc/38/45/29/815384529.db2.gz VGTZMHFRIRIXFV-GOEBONIOSA-N 1 0 273.380 2.154 20 10 CECDRO Fc1cc(N2CCOCC2)ccc1C=C1CC[NH2+]CC1 ZINC001240877456 810811137 /nfs/dbraw/zinc/81/11/37/810811137.db2.gz VWWQPVTZJFDUAJ-UHFFFAOYSA-N 1 0 276.355 2.429 20 10 CECDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3cccc(O)c3C2)C1 ZINC001169039855 811348022 /nfs/dbraw/zinc/34/80/22/811348022.db2.gz UWXVJXIZSLICMZ-DGCLKSJQSA-N 1 0 276.336 2.196 20 10 CECDRO COc1ccc(N(C)C(C)(C)C[NH3+])c(OC)c1F ZINC001170060929 812018431 /nfs/dbraw/zinc/01/84/31/812018431.db2.gz XRJZJWHDXLUJIL-UHFFFAOYSA-N 1 0 256.321 2.016 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc(C)n2C)c1 ZINC000689239888 812145035 /nfs/dbraw/zinc/14/50/35/812145035.db2.gz PBCWMBIJNVTWSO-JTQLQIEISA-N 1 0 275.352 2.294 20 10 CECDRO Cc1ccc(C)n1-c1ccc(NCCN(C)CC[NH3+])cc1 ZINC001170502424 812583140 /nfs/dbraw/zinc/58/31/40/812583140.db2.gz WEMXFTAQQNPYBL-UHFFFAOYSA-N 1 0 286.423 2.397 20 10 CECDRO CC[C@]1([NH2+]Cc2cc(OC)ccc2O)CCOC1 ZINC000386016479 813150901 /nfs/dbraw/zinc/15/09/01/813150901.db2.gz WDDOTJUPDXWDAI-AWEZNQCLSA-N 1 0 251.326 2.060 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@H](C)O ZINC000386816554 813191106 /nfs/dbraw/zinc/19/11/06/813191106.db2.gz SRQAISCJMMLULQ-GZMMTYOYSA-N 1 0 288.185 2.404 20 10 CECDRO COCC(COC)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000388511598 813239938 /nfs/dbraw/zinc/23/99/38/813239938.db2.gz RKFPECFTCABBOJ-UHFFFAOYSA-N 1 0 292.423 2.428 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@H]1CCC(F)(F)C1)OCO2 ZINC000389425009 813250806 /nfs/dbraw/zinc/25/08/06/813250806.db2.gz OMOMHLWFXNBQPK-VIFPVBQESA-N 1 0 271.263 2.398 20 10 CECDRO CCCN1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000389412727 813251083 /nfs/dbraw/zinc/25/10/83/813251083.db2.gz SLLWGCWPKBQZCA-HNNXBMFYSA-N 1 0 260.381 2.195 20 10 CECDRO CCC1([NH2+]Cc2cc3c(cc2O)OCO3)CCOCC1 ZINC000389367064 813251704 /nfs/dbraw/zinc/25/17/04/813251704.db2.gz YNCDNXHXJUPTDU-UHFFFAOYSA-N 1 0 279.336 2.170 20 10 CECDRO Cc1cnn(C)c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000394054425 813335390 /nfs/dbraw/zinc/33/53/90/813335390.db2.gz AFKGMOQTIATYOL-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccccc2O)C1 ZINC000397742915 813633346 /nfs/dbraw/zinc/63/33/46/813633346.db2.gz JEMZXVRYUPUZFV-UHFFFAOYSA-N 1 0 292.379 2.349 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CC[C@H](OC)C2)c(O)c1 ZINC001255611657 813795112 /nfs/dbraw/zinc/79/51/12/813795112.db2.gz RQCPBPGEVUMYOT-STQMWFEESA-N 1 0 265.353 2.448 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000689528349 813948245 /nfs/dbraw/zinc/94/82/45/813948245.db2.gz XTJAXKBPCYEYIL-GFCCVEGCSA-N 1 0 279.384 2.101 20 10 CECDRO Oc1cc(O)c(C[NH+]2Cc3ccccc3C2)c(O)c1 ZINC001144500095 814090006 /nfs/dbraw/zinc/09/00/06/814090006.db2.gz OTYVJLNVUGGIEY-UHFFFAOYSA-N 1 0 257.289 2.319 20 10 CECDRO C[C@]1(F)CC[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1F ZINC001144504101 814092301 /nfs/dbraw/zinc/09/23/01/814092301.db2.gz LSPFYFGBVALFLJ-STQMWFEESA-N 1 0 273.279 2.075 20 10 CECDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514699 814097947 /nfs/dbraw/zinc/09/79/47/814097947.db2.gz OZCNASAEGSNKBK-CQSZACIVSA-N 1 0 281.352 2.193 20 10 CECDRO CCC[N@H+](Cc1c(O)cc(O)cc1O)C1CCOCC1 ZINC001144515732 814099785 /nfs/dbraw/zinc/09/97/85/814099785.db2.gz WQBWSRGNXBFOJL-UHFFFAOYSA-N 1 0 281.352 2.194 20 10 CECDRO CN1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001116322354 814845560 /nfs/dbraw/zinc/84/55/60/814845560.db2.gz DRMDXUJYZSENEH-UHFFFAOYSA-N 1 0 273.424 2.424 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC(CO)CC2)c(O)c1 ZINC001116585333 814866902 /nfs/dbraw/zinc/86/69/02/814866902.db2.gz XOKPAXCCYNIZQM-CQSZACIVSA-N 1 0 292.423 2.056 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)C(C)(C)C)c1 ZINC001116812083 814884827 /nfs/dbraw/zinc/88/48/27/814884827.db2.gz WTYJLDJXZDKLSS-CQSZACIVSA-N 1 0 267.369 2.288 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc[nH]c2=O)c1 ZINC000714983874 814919583 /nfs/dbraw/zinc/91/95/83/814919583.db2.gz GGGXARIGSSFMRG-JTQLQIEISA-N 1 0 274.320 2.352 20 10 CECDRO Cc1cc(CN2CC([NH+]3CCCC3)C2)ccc1N(C)C ZINC001139670514 815643223 /nfs/dbraw/zinc/64/32/23/815643223.db2.gz AHRGNMPQFCJRMI-UHFFFAOYSA-N 1 0 273.424 2.341 20 10 CECDRO Oc1cccc(F)c1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001137837651 815692460 /nfs/dbraw/zinc/69/24/60/815692460.db2.gz PUOMZYIPPVUCAS-GFCCVEGCSA-N 1 0 264.344 2.201 20 10 CECDRO CC(C)[N@H+](C)[C@H]1CCN(Cc2c(O)cccc2F)C1 ZINC001137839584 815695391 /nfs/dbraw/zinc/69/53/91/815695391.db2.gz DVXKJGBPHIWZLH-LBPRGKRZSA-N 1 0 266.360 2.446 20 10 CECDRO Cc1cc(C[N@@H+]2CCNC(=O)CC2)c(C)n1-c1ccccc1 ZINC001137854346 815698599 /nfs/dbraw/zinc/69/85/99/815698599.db2.gz SBAQWCXUQUNTJP-UHFFFAOYSA-N 1 0 297.402 2.416 20 10 CECDRO O=C1CC[C@]2(CCC[N@@H+](Cc3cccc(F)c3[O-])C2)O1 ZINC001138129452 815733662 /nfs/dbraw/zinc/73/36/62/815733662.db2.gz DLOJLQXLJSWERY-HNNXBMFYSA-N 1 0 279.311 2.203 20 10 CECDRO Cc1c(C[N@@H+]2CCC[C@@H]2CO)c2ccccc2n1C ZINC001138252314 815754746 /nfs/dbraw/zinc/75/47/46/815754746.db2.gz BTXGORLITOQYFZ-CYBMUJFWSA-N 1 0 258.365 2.443 20 10 CECDRO CCOC(=O)C1C[NH+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138256987 815756025 /nfs/dbraw/zinc/75/60/25/815756025.db2.gz RFQNPXYWWOHDIW-UHFFFAOYSA-N 1 0 286.375 2.482 20 10 CECDRO CCOC(=O)C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001173635463 815773498 /nfs/dbraw/zinc/77/34/98/815773498.db2.gz DLYRWUXEPRRFGE-AAEUAGOBSA-N 1 0 293.363 2.309 20 10 CECDRO CN1CCCc2cc(C[NH+]3CCC(CO)CC3)ccc21 ZINC001138355289 815774504 /nfs/dbraw/zinc/77/45/04/815774504.db2.gz MQPVTHZEUOFTQL-UHFFFAOYSA-N 1 0 274.408 2.273 20 10 CECDRO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001173636921 815775218 /nfs/dbraw/zinc/77/52/18/815775218.db2.gz PSGAUEIGUVCDQE-WCQYABFASA-N 1 0 293.363 2.309 20 10 CECDRO CCN(CC)c1ccc(CN2CC([NH+](C)C)C2)c(OC)c1 ZINC001138385901 815784392 /nfs/dbraw/zinc/78/43/92/815784392.db2.gz CPTUGMJFZQBJEY-UHFFFAOYSA-N 1 0 291.439 2.287 20 10 CECDRO Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001139125193 815964758 /nfs/dbraw/zinc/96/47/58/815964758.db2.gz PAHXLRCXPXOKDB-PHIMTYICSA-N 1 0 271.316 2.259 20 10 CECDRO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)ccc1N(C)C ZINC001139673092 816076402 /nfs/dbraw/zinc/07/64/02/816076402.db2.gz PPPVIXMBHKCMOE-GASCZTMLSA-N 1 0 272.392 2.472 20 10 CECDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1c([O-])c(F)ccc1F ZINC001139686417 816083984 /nfs/dbraw/zinc/08/39/84/816083984.db2.gz YORPMRNOXOJQJG-GFCCVEGCSA-N 1 0 271.307 2.406 20 10 CECDRO CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001140053706 816177366 /nfs/dbraw/zinc/17/73/66/816177366.db2.gz AJJSMRLVKNQRLL-INIZCTEOSA-N 1 0 292.354 2.118 20 10 CECDRO COC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140178405 816204425 /nfs/dbraw/zinc/20/44/25/816204425.db2.gz KTGHTUMALUJOOK-ZDUSSCGKSA-N 1 0 263.337 2.146 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1O ZINC001140180035 816204536 /nfs/dbraw/zinc/20/45/36/816204536.db2.gz HWKLKQTVWQOFTL-OLZOCXBDSA-N 1 0 283.318 2.475 20 10 CECDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)ccc(C)c1O ZINC001140184745 816205249 /nfs/dbraw/zinc/20/52/49/816205249.db2.gz GUEZDONLKKWAMH-KBPBESRZSA-N 1 0 260.381 2.287 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)ccc(C)c2O)CC12CC2 ZINC001140184889 816205786 /nfs/dbraw/zinc/20/57/86/816205786.db2.gz JMHCQSMZBHZXAW-AWEZNQCLSA-N 1 0 289.375 2.394 20 10 CECDRO CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](F)C3)cc2)CC1 ZINC001140301920 816227335 /nfs/dbraw/zinc/22/73/35/816227335.db2.gz DJHFYTFOKZADTO-INIZCTEOSA-N 1 0 291.414 2.372 20 10 CECDRO Oc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001140463212 816260764 /nfs/dbraw/zinc/26/07/64/816260764.db2.gz WABRUTMMRIVQKL-NEPJUHHUSA-N 1 0 273.735 2.340 20 10 CECDRO COC(=O)CC[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140623012 816306610 /nfs/dbraw/zinc/30/66/10/816306610.db2.gz KSGCBNWGJRUBJX-CYBMUJFWSA-N 1 0 277.364 2.476 20 10 CECDRO CC[N@H+](Cc1ccnc(OC)n1)Cc1ccccc1O ZINC001140692706 816324482 /nfs/dbraw/zinc/32/44/82/816324482.db2.gz KGJCJTQNGPRCCJ-UHFFFAOYSA-N 1 0 273.336 2.213 20 10 CECDRO Cc1c(O)ccc(CN2CC[NH+](C3CCC3)CC2)c1O ZINC001140742041 816337811 /nfs/dbraw/zinc/33/78/11/816337811.db2.gz ICKJYGIZEXDJPM-UHFFFAOYSA-N 1 0 276.380 2.076 20 10 CECDRO Cc1c(O)ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1O ZINC001140742548 816339347 /nfs/dbraw/zinc/33/93/47/816339347.db2.gz RLJJQGHOIBWJQT-NXEZZACHSA-N 1 0 251.326 2.015 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c1O ZINC001140743958 816340134 /nfs/dbraw/zinc/34/01/34/816340134.db2.gz GMYCMWGFNBZJCC-HNNXBMFYSA-N 1 0 263.337 2.161 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1O ZINC001140747759 816341453 /nfs/dbraw/zinc/34/14/53/816341453.db2.gz LMZIZJXNXBGDEX-MRXNPFEDSA-N 1 0 291.347 2.078 20 10 CECDRO Cc1c(O)ccc(C[NH+]2CCC(N3CC(F)C3)CC2)c1O ZINC001140749108 816342957 /nfs/dbraw/zinc/34/29/57/816342957.db2.gz QICOADXAMQDLJE-UHFFFAOYSA-N 1 0 294.370 2.024 20 10 CECDRO CC[N@@H+]1CCN(Cc2ccc(O)c(C)c2O)C(C)(C)C1 ZINC001140749624 816343810 /nfs/dbraw/zinc/34/38/10/816343810.db2.gz GVKZWOZWIDMBMW-UHFFFAOYSA-N 1 0 278.396 2.322 20 10 CECDRO CC[NH+](CC)CCN(C)Cc1ccc(C)cc1O ZINC001140948605 816422609 /nfs/dbraw/zinc/42/26/09/816422609.db2.gz QPUGYXYVGGLYLJ-UHFFFAOYSA-N 1 0 250.386 2.474 20 10 CECDRO COC(=O)C[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140954291 816423689 /nfs/dbraw/zinc/42/36/89/816423689.db2.gz OSIPAMAZQAYVHO-GFCCVEGCSA-N 1 0 263.337 2.086 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c(O)c1 ZINC001140957607 816425404 /nfs/dbraw/zinc/42/54/04/816425404.db2.gz DUTRDASOYFYXFS-MRXNPFEDSA-N 1 0 275.348 2.372 20 10 CECDRO Nc1ccc(Nc2cnn(CC[NH+]3CCCC3)c2)cc1 ZINC001176560116 816441630 /nfs/dbraw/zinc/44/16/30/816441630.db2.gz FROPFSCTSMTJRW-UHFFFAOYSA-N 1 0 271.368 2.305 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c(OC)c1 ZINC001141029458 816451345 /nfs/dbraw/zinc/45/13/45/816451345.db2.gz SGXQVJXJXGBMBV-OAHLLOKOSA-N 1 0 295.379 2.145 20 10 CECDRO CCC1(O)CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143517 816485094 /nfs/dbraw/zinc/48/50/94/816485094.db2.gz CAHBTSXCQRFCAF-UHFFFAOYSA-N 1 0 290.407 2.252 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)ccc21 ZINC001141144796 816485113 /nfs/dbraw/zinc/48/51/13/816485113.db2.gz KRVUFEWVKDLWIS-ZBFHGGJFSA-N 1 0 288.391 2.126 20 10 CECDRO CC(C)[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141143890 816485304 /nfs/dbraw/zinc/48/53/04/816485304.db2.gz MOXCAYQDKGNHGK-MRXNPFEDSA-N 1 0 290.407 2.372 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H]4OCC[C@H]4C3)ccc21 ZINC001141144795 816485564 /nfs/dbraw/zinc/48/55/64/816485564.db2.gz KRVUFEWVKDLWIS-HOCLYGCPSA-N 1 0 288.391 2.126 20 10 CECDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141141146 816485759 /nfs/dbraw/zinc/48/57/59/816485759.db2.gz UNOXZSDIKSFOKU-ZFWWWQNUSA-N 1 0 290.407 2.108 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H]4CCO[C@H]4C3)ccc21 ZINC001141142616 816485836 /nfs/dbraw/zinc/48/58/36/816485836.db2.gz UWWYUODIYKGXKT-PBHICJAKSA-N 1 0 288.391 2.126 20 10 CECDRO CO[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001141159205 816489702 /nfs/dbraw/zinc/48/97/02/816489702.db2.gz CCQGUVMHTIBUCA-CYBMUJFWSA-N 1 0 251.326 2.099 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC001141156728 816490267 /nfs/dbraw/zinc/49/02/67/816490267.db2.gz SFNUOTACSIPMHE-OAHLLOKOSA-N 1 0 263.337 2.100 20 10 CECDRO CCN(CC[NH+](CC)CC)Cc1cc(O)ccc1O ZINC001141158492 816490744 /nfs/dbraw/zinc/49/07/44/816490744.db2.gz BDJAKXDTZVIMGI-UHFFFAOYSA-N 1 0 266.385 2.262 20 10 CECDRO Oc1ccc(O)c(C[NH+]2CCC(n3ccnc3)CC2)c1 ZINC001141161505 816492200 /nfs/dbraw/zinc/49/22/00/816492200.db2.gz SIJIWSQVPVEVJV-UHFFFAOYSA-N 1 0 273.336 2.131 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000839193717 816568528 /nfs/dbraw/zinc/56/85/28/816568528.db2.gz WCXVJQBXSGRHRL-JQWIXIFHSA-N 1 0 251.351 2.091 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000035136420 361820047 /nfs/dbraw/zinc/82/00/47/361820047.db2.gz PAZKINUCWWKWSG-ZDUSSCGKSA-N 1 0 260.381 2.411 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000090055585 344134553 /nfs/dbraw/zinc/13/45/53/344134553.db2.gz AXVMVFLNRDNYIE-DYVFJYSZSA-N 1 0 292.423 2.191 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000090055588 344134939 /nfs/dbraw/zinc/13/49/39/344134939.db2.gz AXVMVFLNRDNYIE-CXAGYDPISA-N 1 0 292.423 2.191 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCOCC13CCCC3)OCO2 ZINC000093840734 344230777 /nfs/dbraw/zinc/23/07/77/344230777.db2.gz FBBUEYSDHZVYPY-UHFFFAOYSA-N 1 0 291.347 2.266 20 10 CECDRO COCCCN(C)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185553733 344509133 /nfs/dbraw/zinc/50/91/33/344509133.db2.gz NDSSJVKDYUQFFB-AWEZNQCLSA-N 1 0 280.412 2.320 20 10 CECDRO Cc1cccc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1O ZINC000362044186 344809239 /nfs/dbraw/zinc/80/92/39/344809239.db2.gz HGJHLSUCRQCOLY-CQSZACIVSA-N 1 0 285.391 2.499 20 10 CECDRO C[C@H](CO)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000134914431 366373316 /nfs/dbraw/zinc/37/33/16/366373316.db2.gz CIIQXKAZLGMDRG-IUCAKERBSA-N 1 0 288.185 2.434 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CSC ZINC000187911936 283297433 /nfs/dbraw/zinc/29/74/33/283297433.db2.gz UPISTZVZKFRBTI-ZDUSSCGKSA-N 1 0 269.410 2.328 20 10 CECDRO C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273425934 299292279 /nfs/dbraw/zinc/29/22/79/299292279.db2.gz UCIDPLQMHOAHJX-LBPRGKRZSA-N 1 0 293.367 2.437 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000019963696 361571447 /nfs/dbraw/zinc/57/14/47/361571447.db2.gz CMZGXSDLXSDVGU-PWSUYJOCSA-N 1 0 251.326 2.230 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)OC)C2)c1 ZINC000092643905 364091695 /nfs/dbraw/zinc/09/16/95/364091695.db2.gz QEZBCFHQFPBQCB-LBPRGKRZSA-N 1 0 293.363 2.176 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC000093506640 364193062 /nfs/dbraw/zinc/19/30/62/364193062.db2.gz KORRKFBCILBXLX-TZMCWYRMSA-N 1 0 277.364 2.402 20 10 CECDRO CC[C@@](C)(O)C[NH2+]Cc1cc(Br)ccc1O ZINC000111384721 364732930 /nfs/dbraw/zinc/73/29/30/364732930.db2.gz HCFIHTCDJPUHLO-GFCCVEGCSA-N 1 0 288.185 2.405 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCO2)cc1F ZINC000113312836 364888135 /nfs/dbraw/zinc/88/81/35/364888135.db2.gz YYZAQQSDPARTQT-GFCCVEGCSA-N 1 0 252.333 2.160 20 10 CECDRO COc1ccc(N(CC2CC2)C(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638850849 370796767 /nfs/dbraw/zinc/79/67/67/370796767.db2.gz UNVFYGRTMBYCMJ-CQSZACIVSA-N 1 0 286.375 2.486 20 10 CECDRO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000168515741 367354903 /nfs/dbraw/zinc/35/49/03/367354903.db2.gz IRNMNHHTHYJJGL-FTLABTOESA-N 1 0 268.426 2.170 20 10 CECDRO CC[C@H](O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000168825963 367361683 /nfs/dbraw/zinc/36/16/83/367361683.db2.gz CGESFSRWTWESEG-MNOVXSKESA-N 1 0 253.342 2.212 20 10 CECDRO C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccccc1O ZINC000179888234 368356474 /nfs/dbraw/zinc/35/64/74/368356474.db2.gz UQXQFSRBVAZHAM-QWHCGFSZSA-N 1 0 265.353 2.238 20 10 CECDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000179887921 368357155 /nfs/dbraw/zinc/35/71/55/368357155.db2.gz TXGFZZYLSIYPTH-LBPRGKRZSA-N 1 0 276.380 2.301 20 10 CECDRO CNC(=O)CC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000180378714 368378459 /nfs/dbraw/zinc/37/84/59/368378459.db2.gz YBTJAFCVZUUXPN-UHFFFAOYSA-N 1 0 276.380 2.049 20 10 CECDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC)ccc1O ZINC000180697502 368393929 /nfs/dbraw/zinc/39/39/29/368393929.db2.gz QLPBGIJCLVPZIF-CABCVRRESA-N 1 0 290.407 2.459 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](OCCOC)C2)c1O ZINC000188812538 369412609 /nfs/dbraw/zinc/41/26/09/369412609.db2.gz SIHWOYAZPNIJAZ-AWEZNQCLSA-N 1 0 295.379 2.028 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000188828702 369414969 /nfs/dbraw/zinc/41/49/69/369414969.db2.gz NUQQIBWYSALXNZ-YPMHNXCESA-N 1 0 265.353 2.042 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@H](C)OC)c1O ZINC000191202729 369691219 /nfs/dbraw/zinc/69/12/19/369691219.db2.gz AYDNESNGAVHYBV-QMMMGPOBSA-N 1 0 259.733 2.179 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000224929941 370282351 /nfs/dbraw/zinc/28/23/51/370282351.db2.gz QOGSODXYHOWUFA-UKRRQHHQSA-N 1 0 263.337 2.058 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCSC2)c1O ZINC000230705112 370465920 /nfs/dbraw/zinc/46/59/20/370465920.db2.gz OUGAWLJRMNXZSQ-NSHDSACASA-N 1 0 253.367 2.386 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000252733935 371474734 /nfs/dbraw/zinc/47/47/34/371474734.db2.gz TVSVXVLZPJXEDT-UKRRQHHQSA-N 1 0 295.404 2.107 20 10 CECDRO CC[C@H](C(=O)N(C)Cc1ccccc1O)[NH+](CC)CC ZINC000267349070 372070033 /nfs/dbraw/zinc/07/00/33/372070033.db2.gz GBQSZNHMVQCHMC-CQSZACIVSA-N 1 0 278.396 2.471 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCS(C)(=O)=O)cc1 ZINC000268927611 372291109 /nfs/dbraw/zinc/29/11/09/372291109.db2.gz RXIWMPRTUZKZAU-ZDUSSCGKSA-N 1 0 298.452 2.228 20 10 CECDRO CC[C@@H]([NH2+]CCCC(=O)NC)c1ccc(N(C)C)cc1 ZINC000268876160 372268048 /nfs/dbraw/zinc/26/80/48/372268048.db2.gz YUHJGNISVXMMRS-OAHLLOKOSA-N 1 0 277.412 2.320 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCC3)C1)OCO2 ZINC000268983700 372307314 /nfs/dbraw/zinc/30/73/14/372307314.db2.gz SFQFMXYUOJMCAB-GFCCVEGCSA-N 1 0 291.347 2.312 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000269252605 372396863 /nfs/dbraw/zinc/39/68/63/372396863.db2.gz PZJLBNQUWMCJNF-KRWDZBQOSA-N 1 0 289.423 2.149 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000366449957 373051688 /nfs/dbraw/zinc/05/16/88/373051688.db2.gz FZAVJLWYZCDTCS-WMLDXEAASA-N 1 0 291.391 2.471 20 10 CECDRO CCC[N@H+](Cc1cccc(OC)c1O)CC(C)(C)O ZINC000271160803 373150425 /nfs/dbraw/zinc/15/04/25/373150425.db2.gz KHQACBCSDHJVGL-UHFFFAOYSA-N 1 0 267.369 2.384 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000367309338 373147027 /nfs/dbraw/zinc/14/70/27/373147027.db2.gz VNAGVJYWWAQIGP-XBFCOCLRSA-N 1 0 290.363 2.274 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c1O ZINC000271260285 373185078 /nfs/dbraw/zinc/18/50/78/373185078.db2.gz AJXZIYVRVQDTRB-VXGBXAGGSA-N 1 0 265.353 2.306 20 10 CECDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1O)CC2 ZINC000272241888 373379545 /nfs/dbraw/zinc/37/95/45/373379545.db2.gz GRYJXGYEQCVLDP-ZDUSSCGKSA-N 1 0 275.348 2.167 20 10 CECDRO COC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000273376079 373754090 /nfs/dbraw/zinc/75/40/90/373754090.db2.gz HHUBEUWUENHTAY-JTQLQIEISA-N 1 0 296.342 2.413 20 10 CECDRO COc1cccc(C[N@H+](C)Cc2ccccn2)c1O ZINC000273408069 373755668 /nfs/dbraw/zinc/75/56/68/373755668.db2.gz NULLGLNCNZUNBS-UHFFFAOYSA-N 1 0 258.321 2.428 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c(O)c1C ZINC000273444049 373756953 /nfs/dbraw/zinc/75/69/53/373756953.db2.gz ZJXMTRKCGDBIJT-OLZOCXBDSA-N 1 0 297.420 2.094 20 10 CECDRO C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273425928 373757359 /nfs/dbraw/zinc/75/73/59/373757359.db2.gz UCIDPLQMHOAHJX-GFCCVEGCSA-N 1 0 293.367 2.437 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)C[C@H](C)O)c1 ZINC000273556266 373765432 /nfs/dbraw/zinc/76/54/32/373765432.db2.gz GXADQPZMGDCAAN-WOPDTQHZSA-N 1 0 295.379 2.236 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1O ZINC000373807690 374422823 /nfs/dbraw/zinc/42/28/23/374422823.db2.gz WHWSKIAZIGFOFL-GDBMZVCRSA-N 1 0 293.338 2.391 20 10 CECDRO CC1(C)SC[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000282696172 375551409 /nfs/dbraw/zinc/55/14/09/375551409.db2.gz LNUYGGUDWJEMSM-LBPRGKRZSA-N 1 0 267.350 2.105 20 10 CECDRO COCCN1CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000284206255 375825275 /nfs/dbraw/zinc/82/52/75/375825275.db2.gz SLLXVSRWVLYHJM-CABCVRRESA-N 1 0 292.423 2.380 20 10 CECDRO COC[C@@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1O)OC ZINC000285115161 375836185 /nfs/dbraw/zinc/83/61/85/375836185.db2.gz KVYFNQKFLXAZEB-QWHCGFSZSA-N 1 0 267.369 2.321 20 10 CECDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000285556851 375840232 /nfs/dbraw/zinc/84/02/32/375840232.db2.gz REKRXFKRERLNLW-IUODEOHRSA-N 1 0 261.365 2.384 20 10 CECDRO Cc1cc(C[NH2+]C2(C(N)=O)CCCCC2)ccc1N(C)C ZINC000293889041 377808946 /nfs/dbraw/zinc/80/89/46/377808946.db2.gz VABXBCZXJZGUQB-UHFFFAOYSA-N 1 0 289.423 2.339 20 10 CECDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cccc(F)c1[O-] ZINC000294111161 377908491 /nfs/dbraw/zinc/90/84/91/377908491.db2.gz SQGZKYJPYIRLDB-YGRLFVJLSA-N 1 0 253.317 2.172 20 10 CECDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000294115510 377911096 /nfs/dbraw/zinc/91/10/96/377911096.db2.gz DFXDIFZVMOOCEC-MEBBXXQBSA-N 1 0 281.352 2.272 20 10 CECDRO C[C@H](CCCO)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000294738086 378017543 /nfs/dbraw/zinc/01/75/43/378017543.db2.gz GXGMVTSSLMUCDW-GFCCVEGCSA-N 1 0 268.376 2.390 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)ccc1N(C)C ZINC000294773583 378018261 /nfs/dbraw/zinc/01/82/61/378018261.db2.gz ZJSFYRZVJISFHY-DZGCQCFKSA-N 1 0 262.397 2.264 20 10 CECDRO CN(Cc1ccccc1O)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000294944723 378031400 /nfs/dbraw/zinc/03/14/00/378031400.db2.gz CXENDGZVRFLVNN-OCCSQVGLSA-N 1 0 276.380 2.258 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccccc1O ZINC000295193030 378047563 /nfs/dbraw/zinc/04/75/63/378047563.db2.gz XNUKLRZVPXFQSU-GDBMZVCRSA-N 1 0 292.423 2.280 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c(O)c1 ZINC000294841732 378023532 /nfs/dbraw/zinc/02/35/32/378023532.db2.gz RXRYWQUENNHJCK-SWLSCSKDSA-N 1 0 289.379 2.127 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c(O)c1 ZINC000294841734 378023620 /nfs/dbraw/zinc/02/36/20/378023620.db2.gz RXRYWQUENNHJCK-WFASDCNBSA-N 1 0 289.379 2.127 20 10 CECDRO C[C@@](O)(C[NH2+][C@H]1CCc2cccc(O)c21)C(F)(F)F ZINC000296964112 378660520 /nfs/dbraw/zinc/66/05/20/378660520.db2.gz RFYNVYBQGPFQQR-JOYOIKCWSA-N 1 0 275.270 2.282 20 10 CECDRO COCCC1(C)C[NH+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000297538595 378686584 /nfs/dbraw/zinc/68/65/84/378686584.db2.gz ZYRVGEKHAZLAGA-UHFFFAOYSA-N 1 0 295.379 2.268 20 10 CECDRO CCC[C@@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000305098930 379636391 /nfs/dbraw/zinc/63/63/91/379636391.db2.gz AIGQTIUXPGLPOE-MRXNPFEDSA-N 1 0 292.423 2.415 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@H]2O)c1O ZINC000228675731 394476187 /nfs/dbraw/zinc/47/61/87/394476187.db2.gz AGAGCXADXKPLSI-JOYOIKCWSA-N 1 0 285.771 2.305 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C)CC2)c1 ZINC000037267115 394497059 /nfs/dbraw/zinc/49/70/59/394497059.db2.gz KOCSLGHGYMKVHA-LLVKDONJSA-N 1 0 264.369 2.146 20 10 CECDRO CCOc1ccc(O)c(CN2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000092938768 394662983 /nfs/dbraw/zinc/66/29/83/394662983.db2.gz UMLDEABKXWGIAP-CQSZACIVSA-N 1 0 278.396 2.317 20 10 CECDRO COC(=O)CC[N@H+](Cc1cccc(OC)c1O)C(C)C ZINC000093384032 394666015 /nfs/dbraw/zinc/66/60/15/394666015.db2.gz NDEKJQCWXBLKER-UHFFFAOYSA-N 1 0 281.352 2.174 20 10 CECDRO COc1cccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1O ZINC000093644615 394669062 /nfs/dbraw/zinc/66/90/62/394669062.db2.gz OMZBXQHDPSCQRE-OCCSQVGLSA-N 1 0 278.396 2.315 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1 ZINC000361991435 394840129 /nfs/dbraw/zinc/84/01/29/394840129.db2.gz NYFJDSORELUJEK-CQSZACIVSA-N 1 0 299.374 2.146 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCN3C)[nH]1 ZINC000364447066 394904174 /nfs/dbraw/zinc/90/41/74/394904174.db2.gz HCZUIDPTEFBNCT-UHFFFAOYSA-N 1 0 299.374 2.083 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1O ZINC000135213498 394963682 /nfs/dbraw/zinc/96/36/82/394963682.db2.gz MFLDAFWLCXNSQP-AAEUAGOBSA-N 1 0 265.353 2.306 20 10 CECDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000173398839 395112950 /nfs/dbraw/zinc/11/29/50/395112950.db2.gz PKDXOELKEWHBKD-OAHLLOKOSA-N 1 0 293.407 2.494 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)c1 ZINC000182436022 395242824 /nfs/dbraw/zinc/24/28/24/395242824.db2.gz ZYDGHQRSWPXDDU-BXUZGUMPSA-N 1 0 292.379 2.061 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000179570912 395197050 /nfs/dbraw/zinc/19/70/50/395197050.db2.gz PWFIUDSCKGHHHW-CQSZACIVSA-N 1 0 298.390 2.310 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1O ZINC000293052764 395216679 /nfs/dbraw/zinc/21/66/79/395216679.db2.gz RRHQFAPPKBDTGE-MLGOLLRUSA-N 1 0 279.380 2.432 20 10 CECDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)CN1CCOCC1 ZINC000183522703 395259666 /nfs/dbraw/zinc/25/96/66/395259666.db2.gz PFXKCNJYRUBJLJ-KGLIPLIRSA-N 1 0 278.396 2.011 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN2CCCC2)c1 ZINC000020126893 171011767 /nfs/dbraw/zinc/01/17/67/171011767.db2.gz GZGYILQXFZUZAC-GFCCVEGCSA-N 1 0 264.369 2.147 20 10 CECDRO CC[C@H]([NH2+]CCCOCCOC)c1ccccc1O ZINC000020192377 171058369 /nfs/dbraw/zinc/05/83/69/171058369.db2.gz PZDDMXUSVFGUHW-AWEZNQCLSA-N 1 0 267.369 2.486 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2ccc(CO)o2)cc1 ZINC000077897773 260167290 /nfs/dbraw/zinc/16/72/90/260167290.db2.gz RGKAAUFEQWYEAM-UHFFFAOYSA-N 1 0 260.337 2.128 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](OC)C2)c1O ZINC000091772488 260266203 /nfs/dbraw/zinc/26/62/03/260266203.db2.gz JSRWOMYPLMBWJW-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000363549055 260941672 /nfs/dbraw/zinc/94/16/72/260941672.db2.gz XPPQDWKJDGLDHP-UHFFFAOYSA-N 1 0 283.371 2.320 20 10 CECDRO CC[C@@](C)(CO)[NH2+]Cc1cc(Br)ccc1O ZINC000152167790 261060858 /nfs/dbraw/zinc/06/08/58/261060858.db2.gz IYEKZCQERRKQQX-LBPRGKRZSA-N 1 0 288.185 2.405 20 10 CECDRO CCOc1cccc(C[NH2+]C(C)(C)[C@@H](C)O)c1O ZINC000161138988 261238232 /nfs/dbraw/zinc/23/82/32/261238232.db2.gz DXMVTUKNALAPIX-SNVBAGLBSA-N 1 0 253.342 2.040 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)c(O)c1 ZINC000162072870 261268476 /nfs/dbraw/zinc/26/84/76/261268476.db2.gz JLSFLCPDQKRGOO-AWEZNQCLSA-N 1 0 292.379 2.021 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCOC1 ZINC000163758837 261328669 /nfs/dbraw/zinc/32/86/69/261328669.db2.gz JFDFUZOMGDHCCB-SECBINFHSA-N 1 0 286.169 2.281 20 10 CECDRO COc1cc(O)c(C[NH+]2CCC(C)(CO)CC2)cc1OC ZINC000184068725 262007378 /nfs/dbraw/zinc/00/73/78/262007378.db2.gz RQXNKPQAJKCJSJ-UHFFFAOYSA-N 1 0 295.379 2.004 20 10 CECDRO CC(C)C(=O)NCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000184869217 262031747 /nfs/dbraw/zinc/03/17/47/262031747.db2.gz CBSAUMPJBPXHHQ-SNVBAGLBSA-N 1 0 284.787 2.468 20 10 CECDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(C)ccc1O)CC2 ZINC000185317385 262050639 /nfs/dbraw/zinc/05/06/39/262050639.db2.gz MEVRBKFAIOPGEU-WCQYABFASA-N 1 0 286.379 2.266 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000185787897 262070651 /nfs/dbraw/zinc/07/06/51/262070651.db2.gz YTIBJUGELYAXCX-NEPJUHHUSA-N 1 0 292.379 2.062 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000186089029 262079145 /nfs/dbraw/zinc/07/91/45/262079145.db2.gz UEPULYAPHJGNFC-NEPJUHHUSA-N 1 0 274.364 2.115 20 10 CECDRO COC(=O)N1CC([NH2+][C@H](C)c2cc(Cl)ccc2O)C1 ZINC000186137214 262080790 /nfs/dbraw/zinc/08/07/90/262080790.db2.gz ONSYVDLWFPDMGQ-MRVPVSSYSA-N 1 0 284.743 2.147 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)[C@@H](CO)SC)c1 ZINC000185511131 262305858 /nfs/dbraw/zinc/30/58/58/262305858.db2.gz RMNQWWXXRQMGQT-ISTVAULSSA-N 1 0 285.409 2.164 20 10 CECDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)O)c1O ZINC000186902162 262328670 /nfs/dbraw/zinc/32/86/70/262328670.db2.gz BNXUBZPGRKLIAA-BDAKNGLRSA-N 1 0 288.185 2.495 20 10 CECDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000270311544 262986367 /nfs/dbraw/zinc/98/63/67/262986367.db2.gz VBQMWUXWHOQILL-GFCCVEGCSA-N 1 0 268.376 2.390 20 10 CECDRO CCCN(Cc1nn(CC)nc1C)c1ccc(C[NH3+])cc1 ZINC000296700171 263195670 /nfs/dbraw/zinc/19/56/70/263195670.db2.gz IDLIVMJVOBSMFD-UHFFFAOYSA-N 1 0 287.411 2.482 20 10 CECDRO C[C@H](CCO)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000295024281 265022610 /nfs/dbraw/zinc/02/26/10/265022610.db2.gz COUPBZJTUMHIBJ-LBPRGKRZSA-N 1 0 268.376 2.390 20 10 CECDRO CCOc1cccc(CN2CC[NH+]3CCC2CC3)c1O ZINC000367667326 267107044 /nfs/dbraw/zinc/10/70/44/267107044.db2.gz OJQISPSWVWOUSA-UHFFFAOYSA-N 1 0 276.380 2.071 20 10 CECDRO O=C1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H]2CCCCN12 ZINC000370287043 267306940 /nfs/dbraw/zinc/30/69/40/267306940.db2.gz BFGHMYRAHDXWGS-STQMWFEESA-N 1 0 294.782 2.289 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCOC[C@]12CCOC2 ZINC000370736809 267343130 /nfs/dbraw/zinc/34/31/30/267343130.db2.gz HCJLVHMEJJYBNH-GDBMZVCRSA-N 1 0 277.364 2.335 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000376729105 268012081 /nfs/dbraw/zinc/01/20/81/268012081.db2.gz OAGTXPNLCRKYEU-UHFFFAOYSA-N 1 0 257.337 2.215 20 10 CECDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC000180427911 327805823 /nfs/dbraw/zinc/80/58/23/327805823.db2.gz MYAHBZVLZZHNHI-LLVKDONJSA-N 1 0 277.343 2.462 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]CCc1cn[nH]c1 ZINC000289876226 327815909 /nfs/dbraw/zinc/81/59/09/327815909.db2.gz PHRZOLYEURJFCL-UHFFFAOYSA-N 1 0 296.168 2.210 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2ccsc2)c1 ZINC000271857663 328198175 /nfs/dbraw/zinc/19/81/75/328198175.db2.gz VDTIYXSMSBJTCP-OAHLLOKOSA-N 1 0 293.388 2.460 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000377696419 329025186 /nfs/dbraw/zinc/02/51/86/329025186.db2.gz NJODHJQWPWVPPU-CYBMUJFWSA-N 1 0 298.390 2.283 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2O)CC1(C)C ZINC000378369335 329047645 /nfs/dbraw/zinc/04/76/45/329047645.db2.gz IWKYLHQMHWYHHL-CYBMUJFWSA-N 1 0 277.364 2.332 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccccc1O ZINC000360001949 329069844 /nfs/dbraw/zinc/06/98/44/329069844.db2.gz WYRRLWHWEANGCZ-OLZOCXBDSA-N 1 0 286.379 2.055 20 10 CECDRO COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccccc1O ZINC000360020603 329070147 /nfs/dbraw/zinc/07/01/47/329070147.db2.gz VBBUSTCZADCLRS-ZDUSSCGKSA-N 1 0 263.337 2.310 20 10 CECDRO COC[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCO1 ZINC000172922333 329140519 /nfs/dbraw/zinc/14/05/19/329140519.db2.gz UOEXMRRCNPGJIP-AWEZNQCLSA-N 1 0 287.359 2.393 20 10 CECDRO COc1ccc(O)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000179878303 329213095 /nfs/dbraw/zinc/21/30/95/329213095.db2.gz CZFYYTNLMOZXJM-OAHLLOKOSA-N 1 0 290.407 2.461 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000180287896 329219387 /nfs/dbraw/zinc/21/93/87/329219387.db2.gz WIQSCPZIDVOBES-UHFFFAOYSA-N 1 0 290.342 2.035 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000529636798 333502348 /nfs/dbraw/zinc/50/23/48/333502348.db2.gz HIEHTJYIRVCCAW-LBPRGKRZSA-N 1 0 265.353 2.307 20 10 CECDRO C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000134913563 334108186 /nfs/dbraw/zinc/10/81/86/334108186.db2.gz PBUYEHVRCDLXQT-SFYZADRCSA-N 1 0 274.158 2.186 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCN3CCCC[C@H]3C2)c1 ZINC000245911022 334223779 /nfs/dbraw/zinc/22/37/79/334223779.db2.gz MLKJRYSOQBIJQZ-HNNXBMFYSA-N 1 0 260.381 2.371 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000252738800 334389014 /nfs/dbraw/zinc/38/90/14/334389014.db2.gz GAZMQSQMXSPUKB-GJZGRUSLSA-N 1 0 260.381 2.417 20 10 CECDRO [O-]c1c(F)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252767415 334391279 /nfs/dbraw/zinc/39/12/79/334391279.db2.gz IFMFNZZBJDLUIJ-OLZOCXBDSA-N 1 0 264.344 2.248 20 10 CECDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000277981241 334818509 /nfs/dbraw/zinc/81/85/09/334818509.db2.gz TYYDGQJTNROULE-RHSMWYFYSA-N 1 0 290.407 2.038 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000083551981 522153457 /nfs/dbraw/zinc/15/34/57/522153457.db2.gz DKPHZZXMCVVOBC-SNVBAGLBSA-N 1 0 284.787 2.440 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2CCO)c1O ZINC000050132854 518282607 /nfs/dbraw/zinc/28/26/07/518282607.db2.gz LTYRZVRHTCEYEZ-CQSZACIVSA-N 1 0 295.354 2.471 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@@H](CO)C(C)(C)C)c1O ZINC000278822115 518287763 /nfs/dbraw/zinc/28/77/63/518287763.db2.gz PUCYGXWKTMTJKJ-ZDUSSCGKSA-N 1 0 283.343 2.231 20 10 CECDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(C)ccc2O)C1 ZINC000279640612 519536021 /nfs/dbraw/zinc/53/60/21/519536021.db2.gz CWNNZDHJACXLCH-AWEZNQCLSA-N 1 0 276.380 2.049 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@H](O)C2CC2)ccc1OC ZINC000265220016 520187026 /nfs/dbraw/zinc/18/70/26/520187026.db2.gz GNNATAUNOOKDDJ-HNNXBMFYSA-N 1 0 279.380 2.092 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1F ZINC000236913030 520903585 /nfs/dbraw/zinc/90/35/85/520903585.db2.gz VSTRYMPTXTYCQF-CQSZACIVSA-N 1 0 293.386 2.040 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC[C@@H](C)O)cc1 ZINC000078781969 520905876 /nfs/dbraw/zinc/90/58/76/520905876.db2.gz INNPDMAVDIQQRA-CYBMUJFWSA-N 1 0 250.386 2.393 20 10 CECDRO CCN(CCC[NH+](C)C)Cc1cc(OC)c(OC)cc1O ZINC000289525739 521010733 /nfs/dbraw/zinc/01/07/33/521010733.db2.gz VSSVKWHPDNGABC-UHFFFAOYSA-N 1 0 296.411 2.183 20 10 CECDRO CCC[C@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000236886342 521116051 /nfs/dbraw/zinc/11/60/51/521116051.db2.gz OADRFKMBAIIMMO-AWEZNQCLSA-N 1 0 276.380 2.015 20 10 CECDRO CCC[C@H]([NH3+])C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000236880589 521116681 /nfs/dbraw/zinc/11/66/81/521116681.db2.gz UFXGZQXDVRIAJQ-AWEZNQCLSA-N 1 0 295.402 2.416 20 10 CECDRO CCC(CC)(CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000053046587 521459283 /nfs/dbraw/zinc/45/92/83/521459283.db2.gz ZKPCSSBUTJBHPL-UHFFFAOYSA-N 1 0 250.386 2.393 20 10 CECDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000236765055 521494236 /nfs/dbraw/zinc/49/42/36/521494236.db2.gz FIUURXQZMIBSHB-OAHLLOKOSA-N 1 0 289.423 2.002 20 10 CECDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000264733219 521595034 /nfs/dbraw/zinc/59/50/34/521595034.db2.gz HASJNBWXGDOYKQ-CQSZACIVSA-N 1 0 291.395 2.066 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)OC ZINC000076074132 521690956 /nfs/dbraw/zinc/69/09/56/521690956.db2.gz VWOTUGMBMLPKQS-NSHDSACASA-N 1 0 251.326 2.166 20 10 CECDRO CC[C@H](CCO)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000094948706 522145659 /nfs/dbraw/zinc/14/56/59/522145659.db2.gz MPQOIBJNDFCXKU-VXGBXAGGSA-N 1 0 267.369 2.460 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC000365853014 522185359 /nfs/dbraw/zinc/18/53/59/522185359.db2.gz BUAGJUGAUALBOB-MRXNPFEDSA-N 1 0 260.381 2.099 20 10 CECDRO CN(C)c1ccc(CNC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000050950060 522187701 /nfs/dbraw/zinc/18/77/01/522187701.db2.gz CIEQQGSGPWRRHT-UHFFFAOYSA-N 1 0 289.423 2.149 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1F ZINC000276660400 522209032 /nfs/dbraw/zinc/20/90/32/522209032.db2.gz JNTNBXWIBXMZGX-DGCLKSJQSA-N 1 0 266.360 2.142 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000189948379 522212121 /nfs/dbraw/zinc/21/21/21/522212121.db2.gz UXEKRKWETWBVGB-GOEBONIOSA-N 1 0 262.397 2.393 20 10 CECDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000236953178 522367557 /nfs/dbraw/zinc/36/75/57/522367557.db2.gz PCFOCCFBHSPRLE-WBMJQRKESA-N 1 0 289.423 2.059 20 10 CECDRO CC[C@H]([NH2+][C@@H](CCO)COC)c1ccc(C)cc1O ZINC000280018452 522706750 /nfs/dbraw/zinc/70/67/50/522706750.db2.gz HECPOCHVENVTDQ-JSGCOSHPSA-N 1 0 267.369 2.139 20 10 CECDRO CC[C@H]([NH2+][C@H]1COC[C@@H]1OC)c1ccc(N(C)C)cc1 ZINC000290189057 522759205 /nfs/dbraw/zinc/75/92/05/522759205.db2.gz ODQMTVHIFBGAKE-JYJNAYRXSA-N 1 0 278.396 2.207 20 10 CECDRO CN(C)C(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299191735 523979417 /nfs/dbraw/zinc/97/94/17/523979417.db2.gz FCVFHCZTQXYWPO-UHFFFAOYSA-N 1 0 289.423 2.195 20 10 CECDRO CNC(=O)C1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000273623215 524048390 /nfs/dbraw/zinc/04/83/90/524048390.db2.gz ZTNTZFZNBBXISP-XSRFYTQQSA-N 1 0 294.370 2.487 20 10 CECDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1CO ZINC000276748435 524293583 /nfs/dbraw/zinc/29/35/83/524293583.db2.gz LIUHBYCGGRJQAB-NHYWBVRUSA-N 1 0 266.360 2.094 20 10 CECDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1O ZINC000290414349 524379665 /nfs/dbraw/zinc/37/96/65/524379665.db2.gz KFYQRUKATXVDGR-UKRRQHHQSA-N 1 0 262.397 2.473 20 10 CECDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccc(N)cc1 ZINC000237548855 524610921 /nfs/dbraw/zinc/61/09/21/524610921.db2.gz PCRGZAUCFBWJRT-KGLIPLIRSA-N 1 0 289.423 2.048 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ncccc2C)c1 ZINC000071339544 524753740 /nfs/dbraw/zinc/75/37/40/524753740.db2.gz IBWQJCRAVRDGRH-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277422976 525344837 /nfs/dbraw/zinc/34/48/37/525344837.db2.gz GROSGGDEMHXRGV-UHFFFAOYSA-N 1 0 298.390 2.249 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000280357242 525346043 /nfs/dbraw/zinc/34/60/43/525346043.db2.gz UCGLWXMXWQMMNH-BBRMVZONSA-N 1 0 277.364 2.080 20 10 CECDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(F)ccc1O ZINC000278597573 525422178 /nfs/dbraw/zinc/42/21/78/525422178.db2.gz ZHRYRLQJRVWFPE-GFCCVEGCSA-N 1 0 294.370 2.047 20 10 CECDRO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(F)ccc1O)C[C@@H](C)O2 ZINC000280358002 525585778 /nfs/dbraw/zinc/58/57/78/525585778.db2.gz CJWQGBYLMDNNLE-BFQNTYOBSA-N 1 0 295.354 2.300 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c(O)c1 ZINC000228089862 525739014 /nfs/dbraw/zinc/73/90/14/525739014.db2.gz BONFXMPBQNHEOW-OLZOCXBDSA-N 1 0 276.380 2.362 20 10 CECDRO COc1cccc(C[NH2+]CCCOC[C@H]2CCCO2)c1O ZINC000020146695 526014075 /nfs/dbraw/zinc/01/40/75/526014075.db2.gz IJRLXLZQPSSXBC-CQSZACIVSA-N 1 0 295.379 2.076 20 10 CECDRO COc1cccc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1O ZINC000290814713 526036166 /nfs/dbraw/zinc/03/61/66/526036166.db2.gz GKIMURTYVZKWTJ-OAHLLOKOSA-N 1 0 279.380 2.288 20 10 CECDRO Oc1cccc(Cl)c1CN1CC[NH+](C2CC2)CC1 ZINC000127925707 526363254 /nfs/dbraw/zinc/36/32/54/526363254.db2.gz IBZXLXQDBNSHMD-UHFFFAOYSA-N 1 0 266.772 2.326 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCN1CCCC1 ZINC000083551495 526363917 /nfs/dbraw/zinc/36/39/17/526363917.db2.gz DNAQXVXVKHKLIM-UHFFFAOYSA-N 1 0 254.761 2.231 20 10 CECDRO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccccc2O)n1 ZINC000289910483 526670464 /nfs/dbraw/zinc/67/04/64/526670464.db2.gz UYLLBROHECOVOU-GFCCVEGCSA-N 1 0 259.309 2.421 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@]2(C)CCO[C@@H]2C)cc1OC ZINC000753575201 574511312 /nfs/dbraw/zinc/51/13/12/574511312.db2.gz GRSVXSHKGBNXKK-BMIGLBTASA-N 1 0 281.352 2.067 20 10 CECDRO CC(C)(CNC(=O)C1=CC(=O)CS1)[NH+]1CCCCC1 ZINC000731864123 574604179 /nfs/dbraw/zinc/60/41/79/574604179.db2.gz PSEGNPQNTMUIIX-UHFFFAOYSA-N 1 0 282.409 2.448 20 10 CECDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1=CC(=O)CS1 ZINC000731870017 574604354 /nfs/dbraw/zinc/60/43/54/574604354.db2.gz HVWYFBYIDGDIAR-WDEREUQCSA-N 1 0 282.409 2.304 20 10 CECDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1c(O)cccc1OC ZINC000732820587 574632292 /nfs/dbraw/zinc/63/22/92/574632292.db2.gz LVPQROYIDYPNMT-NHYWBVRUSA-N 1 0 267.369 2.288 20 10 CECDRO CO[C@@H](C[NH2+]Cc1cc(C)ccc1O)C(F)(F)F ZINC000733328935 574664458 /nfs/dbraw/zinc/66/44/58/574664458.db2.gz HVGWUHBOKUTMPL-NSHDSACASA-N 1 0 263.259 2.368 20 10 CECDRO COc1cccc(C[NH2+]Cc2c(C)nn(C)c2Cl)c1O ZINC000733900907 574690155 /nfs/dbraw/zinc/69/01/55/574690155.db2.gz PHOFVEDKXSYXTL-UHFFFAOYSA-N 1 0 295.770 2.386 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(OC)cc2O)o1 ZINC000734160278 574703836 /nfs/dbraw/zinc/70/38/36/574703836.db2.gz SYFCCTANJOUWPI-UHFFFAOYSA-N 1 0 291.303 2.070 20 10 CECDRO C[C@H](O)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756572670 574821284 /nfs/dbraw/zinc/82/12/84/574821284.db2.gz NHYWLOHTPRVLCN-YWVKMMECSA-N 1 0 253.317 2.440 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC(=O)Nc2ccccn2)cc1 ZINC000742696873 575030208 /nfs/dbraw/zinc/03/02/08/575030208.db2.gz OIPHXXXHJNPFPQ-UHFFFAOYSA-N 1 0 298.390 2.266 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCOCC1 ZINC000746054258 575147683 /nfs/dbraw/zinc/14/76/83/575147683.db2.gz PHRNEJLCTSTOSI-CYBMUJFWSA-N 1 0 293.363 2.416 20 10 CECDRO COc1ccc(C[NH2+]CC2(OC)CCOCC2)cc1C ZINC000746753164 575163602 /nfs/dbraw/zinc/16/36/02/575163602.db2.gz CHRNPPHLSAIZLS-UHFFFAOYSA-N 1 0 279.380 2.289 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1 ZINC000748242807 575181117 /nfs/dbraw/zinc/18/11/17/575181117.db2.gz RDMRPSHHUDXMPE-MRXNPFEDSA-N 1 0 289.423 2.243 20 10 CECDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1=CC(=O)CS1 ZINC000751403498 575288454 /nfs/dbraw/zinc/28/84/54/575288454.db2.gz SKAYXQPBOWJSIA-MNOVXSKESA-N 1 0 280.393 2.153 20 10 CECDRO C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc(F)ccc1O ZINC000252811512 622587937 /nfs/dbraw/zinc/58/79/37/622587937.db2.gz OPWIJMGPPRFUTA-RAALSFIWSA-N 1 0 273.373 2.339 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)c1 ZINC000249156210 622767353 /nfs/dbraw/zinc/76/73/53/622767353.db2.gz IIFNLQJEAYOHQA-XHDPSFHLSA-N 1 0 265.353 2.258 20 10 CECDRO C[NH2+]C[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000040592982 623173815 /nfs/dbraw/zinc/17/38/15/623173815.db2.gz XXKVRSMLPSZEDG-LLVKDONJSA-N 1 0 268.788 2.477 20 10 CECDRO CN(C)c1ccc([C@H](CNC(=O)C2(C)CC2)[NH+](C)C)cc1 ZINC000891251927 623327214 /nfs/dbraw/zinc/32/72/14/623327214.db2.gz IERWIPFGLWHETO-HNNXBMFYSA-N 1 0 289.423 2.272 20 10 CECDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000891400375 623594905 /nfs/dbraw/zinc/59/49/05/623594905.db2.gz BHIYCGSPWVPBMT-CYBMUJFWSA-N 1 0 295.379 2.410 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CNC(=O)C2)c1O ZINC000840838030 623629588 /nfs/dbraw/zinc/62/95/88/623629588.db2.gz MBLJAQHWMBQFHD-VHSXEESVSA-N 1 0 282.771 2.141 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccc(N(C)C)cc1 ZINC000040672936 623843005 /nfs/dbraw/zinc/84/30/05/623843005.db2.gz TVMBHJSPIVCMOT-HIFRSBDPSA-N 1 0 261.413 2.497 20 10 CECDRO C[N@@H+](Cc1cc2c(cc1O)CCC2)C[C@@H]1CCOC1 ZINC000176104312 624025171 /nfs/dbraw/zinc/02/51/71/624025171.db2.gz ODMKMRWZLROEJN-LBPRGKRZSA-N 1 0 261.365 2.349 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c(O)c1OC ZINC000892064893 624288074 /nfs/dbraw/zinc/28/80/74/624288074.db2.gz GADYYOKTUVVTOB-DGCLKSJQSA-N 1 0 295.379 2.145 20 10 CECDRO CC[C@H]([NH2+]CCOCCOC)c1ccc(N(C)C)cc1 ZINC000178632494 624613864 /nfs/dbraw/zinc/61/38/64/624613864.db2.gz CSEPVURLRWEBOY-INIZCTEOSA-N 1 0 280.412 2.456 20 10 CECDRO C[NH+]1CCC(C(=O)NCCCSc2nccs2)CC1 ZINC000074676003 625202582 /nfs/dbraw/zinc/20/25/82/625202582.db2.gz LZLGWLNQYFVISV-UHFFFAOYSA-N 1 0 299.465 2.083 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000725844896 625722651 /nfs/dbraw/zinc/72/26/51/625722651.db2.gz ATIAWIYTRNSUMD-UHFFFAOYSA-N 1 0 294.358 2.322 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000820877931 634559054 /nfs/dbraw/zinc/55/90/54/634559054.db2.gz FFMAVLJNVISXPY-OAHLLOKOSA-N 1 0 288.391 2.368 20 10 CECDRO CCOCCCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892624463 627320528 /nfs/dbraw/zinc/32/05/28/627320528.db2.gz UJOAHQSQUFKUHD-UHFFFAOYSA-N 1 0 283.368 2.316 20 10 CECDRO COC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000181085967 627691861 /nfs/dbraw/zinc/69/18/61/627691861.db2.gz CAHGEQWLHXFNMH-UHFFFAOYSA-N 1 0 290.407 2.182 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)C2CC2)c1O ZINC000311881507 627713019 /nfs/dbraw/zinc/71/30/19/627713019.db2.gz YKRUWQYSSZJRDA-AWEZNQCLSA-N 1 0 285.771 2.305 20 10 CECDRO CCn1cc(C[NH2+]Cc2ccc3c(c2)CCO3)c(C)n1 ZINC000892792983 627775832 /nfs/dbraw/zinc/77/58/32/627775832.db2.gz JUKNKHQYXCTGDQ-UHFFFAOYSA-N 1 0 271.364 2.436 20 10 CECDRO COC(=O)CC(C)(C)[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000178329719 627918930 /nfs/dbraw/zinc/91/89/30/627918930.db2.gz HBQDNYRKAKQCIM-UHFFFAOYSA-N 1 0 297.326 2.165 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccn(C)c2)c(O)c1OC ZINC000893100528 628003604 /nfs/dbraw/zinc/00/36/04/628003604.db2.gz NCCQWBYTQCXOQN-UHFFFAOYSA-N 1 0 276.336 2.038 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1O)[C@@H]1CCCO1 ZINC000893256420 628192511 /nfs/dbraw/zinc/19/25/11/628192511.db2.gz RQWIINUSCNZLHK-OLZOCXBDSA-N 1 0 295.379 2.457 20 10 CECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000902422117 634646652 /nfs/dbraw/zinc/64/66/52/634646652.db2.gz CYCOQVLAVLVGHN-AWEZNQCLSA-N 1 0 289.375 2.266 20 10 CECDRO C[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccc(N(C)C)cc1 ZINC000902448066 634671390 /nfs/dbraw/zinc/67/13/90/634671390.db2.gz XNAGISPLYRTMEW-SWLSCSKDSA-N 1 0 261.413 2.401 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c(O)c1OC ZINC000893552113 628733917 /nfs/dbraw/zinc/73/39/17/628733917.db2.gz QDXWDCMUTSVKRS-ZDUSSCGKSA-N 1 0 295.379 2.145 20 10 CECDRO COc1ccc(N(C)C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000258948073 628784972 /nfs/dbraw/zinc/78/49/72/628784972.db2.gz IITBJIJHLKAETL-GFCCVEGCSA-N 1 0 264.369 2.140 20 10 CECDRO C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1[O-] ZINC000925794824 628840487 /nfs/dbraw/zinc/84/04/87/628840487.db2.gz FQHDDLAXIFIIEX-IJLUTSLNSA-N 1 0 266.360 2.428 20 10 CECDRO Cc1cc(O)c(C[NH+]2CC(CCO)C2)c(Cl)c1 ZINC000840953041 628855263 /nfs/dbraw/zinc/85/52/63/628855263.db2.gz LOPHLGMFNJGAJL-UHFFFAOYSA-N 1 0 255.745 2.168 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CN3C[C@@H]2CCC3)cc1F ZINC000924863185 629127510 /nfs/dbraw/zinc/12/75/10/629127510.db2.gz WFJUOMQJNSYVBJ-ZFWWWQNUSA-N 1 0 277.387 2.076 20 10 CECDRO Cc1ccnc(N)c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000894214338 629231343 /nfs/dbraw/zinc/23/13/43/629231343.db2.gz VKXVNULCRRDRHE-UHFFFAOYSA-N 1 0 269.348 2.197 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC2CCOCC2)c1O ZINC000894216906 629232855 /nfs/dbraw/zinc/23/28/55/629232855.db2.gz VZZJSAYLHJSUTN-UHFFFAOYSA-N 1 0 265.353 2.225 20 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295.379 2.326 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@H](C)OC)c1O ZINC000894796308 629644229 /nfs/dbraw/zinc/64/42/29/629644229.db2.gz ZSVRAGJLHUOGCA-MNOVXSKESA-N 1 0 253.342 2.222 20 10 CECDRO COc1cc(C)cc(C[N@@H+](C)C[C@@H](C)OC)c1O ZINC000795750230 629666997 /nfs/dbraw/zinc/66/69/97/629666997.db2.gz SIPMPOZJJCXIDN-LLVKDONJSA-N 1 0 253.342 2.176 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCn3ccnc32)c1O ZINC000894871481 629708022 /nfs/dbraw/zinc/70/80/22/629708022.db2.gz VTZYEXNLLSVFMZ-GFCCVEGCSA-N 1 0 273.336 2.140 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1O ZINC000895014739 629798729 /nfs/dbraw/zinc/79/87/29/629798729.db2.gz MUKNFLUTXUZYGW-QWHCGFSZSA-N 1 0 279.380 2.302 20 10 CECDRO Cc1nnc([C@@H]2CC[N@H+](Cc3c(O)cccc3Cl)C2)[nH]1 ZINC000895008364 629799296 /nfs/dbraw/zinc/79/92/96/629799296.db2.gz WCWBIKWMJMDNAL-SNVBAGLBSA-N 1 0 292.770 2.462 20 10 CECDRO Cc1cnn(C)c1C[NH2+]CCCSc1nccs1 ZINC000796308443 629840984 /nfs/dbraw/zinc/84/09/84/629840984.db2.gz CBCTVMOBNNZGNG-UHFFFAOYSA-N 1 0 282.438 2.457 20 10 CECDRO CCCN1CCC[C@H]1C[NH2+]Cc1c(O)cccc1OC ZINC000796521697 629924296 /nfs/dbraw/zinc/92/42/96/629924296.db2.gz OQCKYPHWSDAWHA-ZDUSSCGKSA-N 1 0 278.396 2.365 20 10 CECDRO CCCN1CCC[C@H]1C[NH2+]Cc1cccc(OC)c1O ZINC000796521675 629924756 /nfs/dbraw/zinc/92/47/56/629924756.db2.gz NYNOJDXZEISWNS-AWEZNQCLSA-N 1 0 278.396 2.365 20 10 CECDRO CC[C@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)OC ZINC000895128415 629933884 /nfs/dbraw/zinc/93/38/84/629933884.db2.gz SZIVMZJOZKZXRX-MRVPVSSYSA-N 1 0 289.734 2.474 20 10 CECDRO COCc1ncc2c(n1)CC[N@@H+](Cc1c(C)cccc1O)C2 ZINC000895416936 630174656 /nfs/dbraw/zinc/17/46/56/630174656.db2.gz IAJYZZBVYBZBNZ-UHFFFAOYSA-N 1 0 299.374 2.195 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c1O ZINC000895439101 630190121 /nfs/dbraw/zinc/19/01/21/630190121.db2.gz WMBKGVGTRJAJER-ZIAGYGMSSA-N 1 0 279.380 2.445 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCC[C@H]2CCOC2=O)c1O ZINC000895474686 630210473 /nfs/dbraw/zinc/21/04/73/630210473.db2.gz QODMWNRCAJXFGY-LBPRGKRZSA-N 1 0 293.363 2.142 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1O ZINC000895780641 630349376 /nfs/dbraw/zinc/34/93/76/630349376.db2.gz RCHNPPXOFOEADC-CFVMTHIKSA-N 1 0 261.365 2.157 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1O ZINC000896379408 630545667 /nfs/dbraw/zinc/54/56/67/630545667.db2.gz YJGMWUORQWBEJC-CQSZACIVSA-N 1 0 277.364 2.149 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000896850650 630690357 /nfs/dbraw/zinc/69/03/57/630690357.db2.gz LIWIVJKFGRCCQG-MJBXVCDLSA-N 1 0 259.349 2.381 20 10 CECDRO F[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000824570301 635454219 /nfs/dbraw/zinc/45/42/19/635454219.db2.gz BODMPCALWWJKIV-CQSZACIVSA-N 1 0 264.344 2.067 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccccc1O ZINC000824584265 635457843 /nfs/dbraw/zinc/45/78/43/635457843.db2.gz ZROUTIIPSNWWEM-HOCLYGCPSA-N 1 0 292.423 2.280 20 10 CECDRO COc1cccc(C[NH2+]C2(CF)CCOCC2)c1O ZINC000824691155 635478958 /nfs/dbraw/zinc/47/89/58/635478958.db2.gz VQDAJUNMCJRHHW-UHFFFAOYSA-N 1 0 269.316 2.009 20 10 CECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000896962667 630846648 /nfs/dbraw/zinc/84/66/48/630846648.db2.gz PWRKRXUTRODMFE-CYBMUJFWSA-N 1 0 277.364 2.394 20 10 CECDRO CC[C@@H]([NH2+][C@H](CO)CCOC)c1cc(Cl)ccc1O ZINC000798941196 630955285 /nfs/dbraw/zinc/95/52/85/630955285.db2.gz WNIJPNBLCDFFNU-WCQYABFASA-N 1 0 287.787 2.484 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C(COC)COC)cc1F ZINC000824921401 635525269 /nfs/dbraw/zinc/52/52/69/635525269.db2.gz KZITZVLSAMEVAM-UHFFFAOYSA-N 1 0 298.402 2.423 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C1(S(C)(=O)=O)CC1 ZINC000797069552 631028069 /nfs/dbraw/zinc/02/80/69/631028069.db2.gz GDJFSHNIVSOAGX-WDEREUQCSA-N 1 0 283.393 2.009 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000304498860 631102996 /nfs/dbraw/zinc/10/29/96/631102996.db2.gz FRENAVJCQXPUSC-GFCCVEGCSA-N 1 0 267.712 2.462 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@]23C[C@H]2COC32CCC2)c1 ZINC000897389537 631271923 /nfs/dbraw/zinc/27/19/23/631271923.db2.gz XZTRKEYECAZICM-BLLLJJGKSA-N 1 0 275.348 2.202 20 10 CECDRO CCCC[N@H+](CCN1CCOC1=O)Cc1ccccc1O ZINC000801596755 631297496 /nfs/dbraw/zinc/29/74/96/631297496.db2.gz NKXXPLQSWHOQDP-UHFFFAOYSA-N 1 0 292.379 2.447 20 10 CECDRO C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)Cc1ccccc1O ZINC000897478085 631550838 /nfs/dbraw/zinc/55/08/38/631550838.db2.gz KEBCOLNEAIZCQS-ZDUSSCGKSA-N 1 0 291.395 2.018 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c1O ZINC000322110874 631723772 /nfs/dbraw/zinc/72/37/72/631723772.db2.gz LHBRRDCJNXVMMV-LJQANCHMSA-N 1 0 281.421 2.434 20 10 CECDRO C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@H](C)C[NH2+]1 ZINC000843120077 631729049 /nfs/dbraw/zinc/72/90/49/631729049.db2.gz UKUVOLBLIZZSTL-VXGBXAGGSA-N 1 0 265.376 2.074 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c1 ZINC000322132672 631745126 /nfs/dbraw/zinc/74/51/26/631745126.db2.gz POQNXHQLQNZQNL-LJQANCHMSA-N 1 0 281.421 2.434 20 10 CECDRO O=C1OCCCN1C1CC[NH+](Cc2ccccc2O)CC1 ZINC000897592532 631802853 /nfs/dbraw/zinc/80/28/53/631802853.db2.gz WQIWUOANJKCXSA-UHFFFAOYSA-N 1 0 290.363 2.199 20 10 CECDRO CCOCc1cc(CNC[C@@H]2CCCC[NH2+]2)ccc1OC ZINC000841032515 631819140 /nfs/dbraw/zinc/81/91/40/631819140.db2.gz FZSDGXQXNYBBBM-INIZCTEOSA-N 1 0 292.423 2.463 20 10 CECDRO CCOc1ccc(O)c(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000897621854 631828155 /nfs/dbraw/zinc/82/81/55/631828155.db2.gz WWUMAEYBSIHJHY-WMLDXEAASA-N 1 0 290.407 2.174 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc1F ZINC000897683361 631868653 /nfs/dbraw/zinc/86/86/53/631868653.db2.gz CCEMDFFMKVOQDR-MLGOLLRUSA-N 1 0 280.387 2.485 20 10 CECDRO CC[N@H+](CCC(=O)NC)Cc1c(O)cc(C)cc1Cl ZINC000897708754 631880777 /nfs/dbraw/zinc/88/07/77/631880777.db2.gz CGHXBEJXHNSCLC-UHFFFAOYSA-N 1 0 284.787 2.312 20 10 CECDRO N[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000841036852 631981981 /nfs/dbraw/zinc/98/19/81/631981981.db2.gz NLAHDSUWSRRKAW-MRXNPFEDSA-N 1 0 268.360 2.411 20 10 CECDRO Cc1cc(O)c(CNC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000841037083 631999096 /nfs/dbraw/zinc/99/90/96/631999096.db2.gz YKCOBFUEQXQJTF-SNVBAGLBSA-N 1 0 254.761 2.196 20 10 CECDRO Cn1cnc(C[NH2+]Cc2ccc(Br)cc2O)c1 ZINC000898042261 632033907 /nfs/dbraw/zinc/03/39/07/632033907.db2.gz NLSWJFWWVMIPCR-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO COc1cccc(C[NH2+]C[C@]23C[C@H]2COC32CCC2)c1O ZINC000898065003 632039145 /nfs/dbraw/zinc/03/91/45/632039145.db2.gz AJCRJMZZVOQNBZ-XJKSGUPXSA-N 1 0 289.375 2.450 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCOC23CCOCC3)c1O ZINC000898117334 632056480 /nfs/dbraw/zinc/05/64/80/632056480.db2.gz ZGLSVZRPYWRHTQ-HNNXBMFYSA-N 1 0 291.391 2.382 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CCOC23CCOCC3)c1O ZINC000898116592 632056693 /nfs/dbraw/zinc/05/66/93/632056693.db2.gz RVBULDKTAWJYNQ-AWEZNQCLSA-N 1 0 277.364 2.128 20 10 CECDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CC(C)(C)C1 ZINC000840162948 632066451 /nfs/dbraw/zinc/06/64/51/632066451.db2.gz BJRAWOYQSLBZKJ-AWEZNQCLSA-N 1 0 277.364 2.438 20 10 CECDRO [NH3+]CCN(Cc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC000809728304 632133132 /nfs/dbraw/zinc/13/31/32/632133132.db2.gz RVVYTSAMJQFKAE-UHFFFAOYSA-N 1 0 287.319 2.266 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2cccc(OC)c2O)n1 ZINC000809740455 632135471 /nfs/dbraw/zinc/13/54/71/632135471.db2.gz ZFEIZUKFPMLVTM-UHFFFAOYSA-N 1 0 288.347 2.484 20 10 CECDRO CCOc1cccc(C[N@H+](C)[C@@H](CO)COC(C)C)c1O ZINC000809768830 632143750 /nfs/dbraw/zinc/14/37/50/632143750.db2.gz YAGNXELHBAGOTP-AWEZNQCLSA-N 1 0 297.395 2.009 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c1O ZINC000898376517 632188172 /nfs/dbraw/zinc/18/81/72/632188172.db2.gz MGZSTGIOYMADCE-LSDHHAIUSA-N 1 0 261.365 2.469 20 10 CECDRO CCO[C@H](C[NH2+][C@H](CC)c1ccccc1O)CN(C)C ZINC000926958248 632385185 /nfs/dbraw/zinc/38/51/85/632385185.db2.gz FIBNYHLDSLSSCY-UKRRQHHQSA-N 1 0 280.412 2.400 20 10 CECDRO CC[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000926989580 632409095 /nfs/dbraw/zinc/40/90/95/632409095.db2.gz XSNQFOVXTBMANL-CJNGLKHVSA-N 1 0 289.423 2.320 20 10 CECDRO COC[C@@H](C)C[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449605 632498879 /nfs/dbraw/zinc/49/88/79/632498879.db2.gz HXUACONHGRGGQR-YOEHRIQHSA-N 1 0 293.455 2.227 20 10 CECDRO CN(C)c1ccc([C@@H](C[NH2+]CC2CC2)N(C)C)cc1 ZINC000898451648 632500275 /nfs/dbraw/zinc/50/02/75/632500275.db2.gz MMRVBPRUHBXYKF-MRXNPFEDSA-N 1 0 261.413 2.355 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000813857976 632748450 /nfs/dbraw/zinc/74/84/50/632748450.db2.gz RLBGTLFBYRQIRG-OAHLLOKOSA-N 1 0 289.423 2.208 20 10 CECDRO CC[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000813885324 632751599 /nfs/dbraw/zinc/75/15/99/632751599.db2.gz SRANUMIRXQFOQA-YWVKMMECSA-N 1 0 253.317 2.440 20 10 CECDRO Cc1cc(C[N@H+](C)C[C@H](O)C(F)(F)F)ccc1N(C)C ZINC000815080004 632956146 /nfs/dbraw/zinc/95/61/46/632956146.db2.gz DESSQJDZUOLJGR-ZDUSSCGKSA-N 1 0 290.329 2.416 20 10 CECDRO Cc1cc(C[NH2+][C@H](CCO)C2CC2)ccc1N(C)C ZINC000815090837 632957023 /nfs/dbraw/zinc/95/70/23/632957023.db2.gz PDHITGBPFHKADV-OAHLLOKOSA-N 1 0 262.397 2.312 20 10 CECDRO CC[S@@](=O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816551078 633411201 /nfs/dbraw/zinc/41/12/01/633411201.db2.gz NYXKAWCGTISYKZ-LJQANCHMSA-N 1 0 277.389 2.404 20 10 CECDRO Cc1cccc(C[NH+]2CCC3(CC2)OCCCO3)c1O ZINC000816645763 633455974 /nfs/dbraw/zinc/45/59/74/633455974.db2.gz IDQHNFFNWQFZGV-UHFFFAOYSA-N 1 0 277.364 2.430 20 10 CECDRO NC(=O)C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000816653476 633457626 /nfs/dbraw/zinc/45/76/26/633457626.db2.gz UPLQFLDMKYVNLB-AWEZNQCLSA-N 1 0 288.322 2.238 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCN(C)C[C@H]2CC)c1O ZINC000816660343 633458510 /nfs/dbraw/zinc/45/85/10/633458510.db2.gz ACGIDDYOKBOPTQ-CQSZACIVSA-N 1 0 278.396 2.317 20 10 CECDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000816660606 633459180 /nfs/dbraw/zinc/45/91/80/633459180.db2.gz JZDYUPXEFFNYJU-AWEZNQCLSA-N 1 0 279.403 2.418 20 10 CECDRO Cc1cccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1O ZINC000816667175 633460875 /nfs/dbraw/zinc/46/08/75/633460875.db2.gz FQOONMXMEVGLQZ-DLBZAZTESA-N 1 0 291.391 2.110 20 10 CECDRO Cc1cc(C[N@@H+]2C[C@@H](CO)OC(C)(C)C2)ccc1N(C)C ZINC000817278429 633616952 /nfs/dbraw/zinc/61/69/52/633616952.db2.gz AYTHWEQBOKSCIN-HNNXBMFYSA-N 1 0 292.423 2.033 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2O)CCO1 ZINC000817415713 633654247 /nfs/dbraw/zinc/65/42/47/633654247.db2.gz XHUPDQJDRZEMRA-CHWSQXEVSA-N 1 0 295.379 2.457 20 10 CECDRO [NH3+][C@@H]1CCCCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000817901282 633761861 /nfs/dbraw/zinc/76/18/61/633761861.db2.gz AQKZOKVDZOIHIH-HUUCEWRRSA-N 1 0 260.381 2.371 20 10 CECDRO CC[NH2+]CCN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817952022 633796275 /nfs/dbraw/zinc/79/62/75/633796275.db2.gz MVESDTPSQWGSNJ-MWLCHTKSSA-N 1 0 252.333 2.279 20 10 CECDRO CC(C)[C@@H](Cn1cccn1)[NH2+]CCc1ccc(N)cc1 ZINC000817957813 633799907 /nfs/dbraw/zinc/79/99/07/633799907.db2.gz PHFUKABERJCOQN-MRXNPFEDSA-N 1 0 272.396 2.322 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817964530 633806842 /nfs/dbraw/zinc/80/68/42/633806842.db2.gz BZXGQFBYDDZJLN-JMCQJSRRSA-N 1 0 256.296 2.058 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cncnc3)C2)cc1 ZINC000818219036 633887609 /nfs/dbraw/zinc/88/76/09/633887609.db2.gz ARMUYFZRPZRDAX-CQSZACIVSA-N 1 0 298.390 2.101 20 10 CECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000818614614 633960554 /nfs/dbraw/zinc/96/05/54/633960554.db2.gz CWTUEICNTKVSLR-LERXQTSPSA-N 1 0 292.379 2.099 20 10 CECDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC(F)(F)F ZINC000818996266 634034599 /nfs/dbraw/zinc/03/45/99/634034599.db2.gz CYJIXTSZBBJWHC-LLVKDONJSA-N 1 0 275.270 2.024 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C[C@@H](O)C1CC1 ZINC000819376885 634161767 /nfs/dbraw/zinc/16/17/67/634161767.db2.gz JHRVMLUQXXTLON-SUMWQHHRSA-N 1 0 276.424 2.353 20 10 CECDRO COc1ccc(C[NH2+]Cc2cncn2C(C)C)c(O)c1 ZINC000822475839 634926775 /nfs/dbraw/zinc/92/67/75/634926775.db2.gz DQUPGALKTXELNF-UHFFFAOYSA-N 1 0 275.352 2.468 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCCOCC2)c(O)c1 ZINC000903228965 635027633 /nfs/dbraw/zinc/02/76/33/635027633.db2.gz URBFFEGSBJHACZ-OAHLLOKOSA-N 1 0 292.423 2.382 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C2CC(CC(N)=O)C2)c2c1c(F)ccc2O ZINC000903260316 635033145 /nfs/dbraw/zinc/03/31/45/635033145.db2.gz OVBHOROECILEQL-QARRAHMOSA-N 1 0 292.354 2.323 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]C2CC(CC(N)=O)C2)c2c1c(F)ccc2O ZINC000903260317 635033326 /nfs/dbraw/zinc/03/33/26/635033326.db2.gz OVBHOROECILEQL-ULCALQBOSA-N 1 0 292.354 2.323 20 10 CECDRO COc1nn(C)cc1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000903338620 635068487 /nfs/dbraw/zinc/06/84/87/635068487.db2.gz SHMJZSFIUZTLKV-LLVKDONJSA-N 1 0 275.352 2.294 20 10 CECDRO CN(C)c1ccc(CN(C)C[C@H]([NH3+])CC(F)F)cc1 ZINC000903873860 635321580 /nfs/dbraw/zinc/32/15/80/635321580.db2.gz MWFKRSFGRDIDBV-GFCCVEGCSA-N 1 0 271.355 2.167 20 10 CECDRO c1[nH]nc2c1N(Cc1cccc3c1CC[NH2+]C3)CCC2 ZINC000903928461 635355326 /nfs/dbraw/zinc/35/53/26/635355326.db2.gz ZANTVYNKZUMBHM-UHFFFAOYSA-N 1 0 268.364 2.008 20 10 CECDRO C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000903966789 635399554 /nfs/dbraw/zinc/39/95/54/635399554.db2.gz CHSIMNHPFWPCCX-BDAKNGLRSA-N 1 0 272.751 2.130 20 10 CECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)CCO1 ZINC000824320396 635404557 /nfs/dbraw/zinc/40/45/57/635404557.db2.gz HAKSOTMPBAUVTE-QWHCGFSZSA-N 1 0 265.353 2.448 20 10 CECDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824560243 635451650 /nfs/dbraw/zinc/45/16/50/635451650.db2.gz DSCIMAMUZPWJOD-CYBMUJFWSA-N 1 0 296.798 2.455 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000824708395 635481902 /nfs/dbraw/zinc/48/19/02/635481902.db2.gz GCLBFIPHHSRGFR-IINYFYTJSA-N 1 0 285.771 2.187 20 10 CECDRO Oc1cc2c(cc1C[NH2+]Cc1cccs1)OCO2 ZINC000042879497 635508453 /nfs/dbraw/zinc/50/84/53/635508453.db2.gz ICYJOALRZLPTNT-UHFFFAOYSA-N 1 0 263.318 2.472 20 10 CECDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)ccc3O)C[C@@H]21 ZINC000824893636 635519342 /nfs/dbraw/zinc/51/93/42/635519342.db2.gz XJCVPJHXJUYRJG-MFKMUULPSA-N 1 0 266.772 2.182 20 10 CECDRO C[C@]1(O)CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000824905816 635521401 /nfs/dbraw/zinc/52/14/01/635521401.db2.gz DZSQZPVMYTYPKM-LBPRGKRZSA-N 1 0 286.169 2.111 20 10 CECDRO Cc1ccc(O)c(CNC(=O)Cn2ccnc2C(C)C)c1 ZINC000824904637 635521541 /nfs/dbraw/zinc/52/15/41/635521541.db2.gz UNVFJGZZJBZDEG-UHFFFAOYSA-N 1 0 287.363 2.337 20 10 CECDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H](CO)CC(C)(C)C ZINC000825039920 635546561 /nfs/dbraw/zinc/54/65/61/635546561.db2.gz BKDHABDSCUROBH-LBPRGKRZSA-N 1 0 295.379 2.350 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2COCC2(C)C)cc1F ZINC000825090870 635562792 /nfs/dbraw/zinc/56/27/92/635562792.db2.gz LPTHNIVDAUVENI-CQSZACIVSA-N 1 0 266.360 2.406 20 10 CECDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000904355010 635586638 /nfs/dbraw/zinc/58/66/38/635586638.db2.gz JSYYZLDTDMWJMZ-DOMZBBRYSA-N 1 0 260.381 2.099 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@H]2O)c1 ZINC000825232369 635595200 /nfs/dbraw/zinc/59/52/00/635595200.db2.gz SMTWNYRMQQZZSJ-SMDDNHRTSA-N 1 0 265.353 2.042 20 10 CECDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000825284520 635605346 /nfs/dbraw/zinc/60/53/46/635605346.db2.gz NJFBAJKOLYWQSX-OCCSQVGLSA-N 1 0 284.359 2.289 20 10 CECDRO OC[C@@H]([NH2+]Cc1ccc(Br)cc1O)C1CC1 ZINC000825290995 635606419 /nfs/dbraw/zinc/60/64/19/635606419.db2.gz BQXHZPSWLMDNLP-LLVKDONJSA-N 1 0 286.169 2.015 20 10 CECDRO Oc1c(F)cccc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904431576 635626378 /nfs/dbraw/zinc/62/63/78/635626378.db2.gz WWYAOUUNUPTOSY-OAHLLOKOSA-N 1 0 264.344 2.249 20 10 CECDRO CC1(C)C[NH2+]C[C@@H]1NCc1cc(Br)ccc1O ZINC000904465332 635636863 /nfs/dbraw/zinc/63/68/63/635636863.db2.gz ZJUMZGVTTZLGIX-LBPRGKRZSA-N 1 0 299.212 2.242 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1Cl ZINC000825752397 635707036 /nfs/dbraw/zinc/70/70/36/635707036.db2.gz ACFBIEJEBMZSRV-WCQYABFASA-N 1 0 299.798 2.089 20 10 CECDRO CC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000826019830 635747728 /nfs/dbraw/zinc/74/77/28/635747728.db2.gz LDEXJOJQDMQTPY-HNNXBMFYSA-N 1 0 277.412 2.229 20 10 CECDRO Cc1cc(O)c(C[NH+]2CC(CCO)C2)cc1Cl ZINC000826112800 635762349 /nfs/dbraw/zinc/76/23/49/635762349.db2.gz DLFAMKYATUUALK-UHFFFAOYSA-N 1 0 255.745 2.168 20 10 CECDRO C[C@](O)(C[NH2+]CCCSc1nccs1)C(F)F ZINC000905112868 635820603 /nfs/dbraw/zinc/82/06/03/635820603.db2.gz XRBHEMIXDIJWSX-JTQLQIEISA-N 1 0 282.381 2.231 20 10 CECDRO CO[C@]1(CO)CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000826952923 636170381 /nfs/dbraw/zinc/17/03/81/636170381.db2.gz XEHXELMPZKKUSR-OAHLLOKOSA-N 1 0 299.798 2.327 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1 ZINC000827281686 636279499 /nfs/dbraw/zinc/27/94/99/636279499.db2.gz JLSHRHWXBLNLRS-CJNGLKHVSA-N 1 0 277.364 2.259 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](CO)CC2CC2)c1O ZINC000827359608 636305167 /nfs/dbraw/zinc/30/51/67/636305167.db2.gz QFJJLROEFJAMLF-CYBMUJFWSA-N 1 0 263.381 2.453 20 10 CECDRO Cc1cc(C[N@H+](C)CCO)ccc1N1CCCCC1 ZINC000827390073 636312451 /nfs/dbraw/zinc/31/24/51/636312451.db2.gz LRHHUGWUFVRFFE-UHFFFAOYSA-N 1 0 262.397 2.409 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c1O ZINC000827692271 636392280 /nfs/dbraw/zinc/39/22/80/636392280.db2.gz HDBRHZKIJXUARZ-BLLLJJGKSA-N 1 0 263.381 2.405 20 10 CECDRO CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](C)[NH3+] ZINC000827901605 636455070 /nfs/dbraw/zinc/45/50/70/636455070.db2.gz RYLHNBXKNMEFLS-IAQYHMDHSA-N 1 0 295.402 2.127 20 10 CECDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827930113 636461123 /nfs/dbraw/zinc/46/11/23/636461123.db2.gz BMZVQVKHJXGZCJ-OCCSQVGLSA-N 1 0 276.380 2.444 20 10 CECDRO CCc1cccc(C[NH2+]Cc2ccnn2CC)c1O ZINC000827957383 636469969 /nfs/dbraw/zinc/46/99/69/636469969.db2.gz SSUZXNDGQBHVPX-UHFFFAOYSA-N 1 0 259.353 2.461 20 10 CECDRO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)c2ccccc2O)CC[N@@H+]1C ZINC000827959887 636471411 /nfs/dbraw/zinc/47/14/11/636471411.db2.gz GQRAFWXDXFXVNC-FPMFFAJLSA-N 1 0 276.380 2.300 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)CC[C@@H]2CCC[NH2+]2)c1 ZINC000828666462 636650554 /nfs/dbraw/zinc/65/05/54/636650554.db2.gz DMIQTMHJXRFSAC-NEPJUHHUSA-N 1 0 292.379 2.110 20 10 CECDRO Cc1cc(C[NH2+][C@@H](C)[C@H](C)CO)ccc1N(C)C ZINC000828846950 636698817 /nfs/dbraw/zinc/69/88/17/636698817.db2.gz YWMGNEIVOLDATO-OLZOCXBDSA-N 1 0 250.386 2.168 20 10 CECDRO CCCC[N@H+](Cc1ccccc1O)C[C@@](C)(O)C(C)=O ZINC000829516050 636872885 /nfs/dbraw/zinc/87/28/85/636872885.db2.gz NZXMEZCYGTYBRI-MRXNPFEDSA-N 1 0 279.380 2.334 20 10 CECDRO CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876512470 650297467 /nfs/dbraw/zinc/29/74/67/650297467.db2.gz PFSSOCFQTGMSNU-AWEZNQCLSA-N 1 0 276.380 2.049 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000829763986 636924439 /nfs/dbraw/zinc/92/44/39/636924439.db2.gz DYDZGMMAVUANHH-BBRMVZONSA-N 1 0 291.439 2.297 20 10 CECDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000831150165 637239437 /nfs/dbraw/zinc/23/94/37/637239437.db2.gz HDADPTWZZRHCNC-AVGNSLFASA-N 1 0 292.427 2.239 20 10 CECDRO CCC(C)(C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832281972 637532865 /nfs/dbraw/zinc/53/28/65/637532865.db2.gz WNEBHPCCMSTDAA-CQSZACIVSA-N 1 0 277.412 2.305 20 10 CECDRO Cc1cc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)ccc1N(C)C ZINC000832718169 637651893 /nfs/dbraw/zinc/65/18/93/637651893.db2.gz RJLQWAYXUJFJBN-DOMZBBRYSA-N 1 0 262.397 2.264 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876631317 650367513 /nfs/dbraw/zinc/36/75/13/650367513.db2.gz AOXABKBQTKQLMI-IUODEOHRSA-N 1 0 294.370 2.078 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000876650433 650376085 /nfs/dbraw/zinc/37/60/85/650376085.db2.gz SGDHKGRCBJGYEM-CYBMUJFWSA-N 1 0 276.380 2.178 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834844821 637968270 /nfs/dbraw/zinc/96/82/70/637968270.db2.gz VFYALTFXQBHYFH-KANYHAFZSA-N 1 0 297.370 2.457 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834880483 637976622 /nfs/dbraw/zinc/97/66/22/637976622.db2.gz FWTIHGWCBOWIKO-GZBFAFLISA-N 1 0 277.364 2.021 20 10 CECDRO CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834900548 637981354 /nfs/dbraw/zinc/98/13/54/637981354.db2.gz QRZIYUUBQPGPIZ-QXEWZRGKSA-N 1 0 280.343 2.194 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]Cc2ccnn2C)cc1 ZINC000835036428 638033484 /nfs/dbraw/zinc/03/34/84/638033484.db2.gz PGKZUDOCAOCAHS-PLNGDYQASA-N 1 0 270.380 2.289 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000835038921 638034088 /nfs/dbraw/zinc/03/40/88/638034088.db2.gz ZQHWQBKPEHHXSG-AATOQMJSSA-N 1 0 273.424 2.450 20 10 CECDRO C[C@H](C[NH2+]C/C=C/c1ccc(N(C)C)cc1)N(C)C ZINC000835042823 638034885 /nfs/dbraw/zinc/03/48/85/638034885.db2.gz MJCSWIYGSXDECO-PSKZRQQASA-N 1 0 261.413 2.306 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2C=C[C@H](CO)C2)cc1 ZINC000835044538 638036700 /nfs/dbraw/zinc/03/67/00/638036700.db2.gz LQCCKRIRPOBPEY-MEGKRXCUSA-N 1 0 272.392 2.292 20 10 CECDRO CO[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@@H]1OC ZINC000835048037 638038730 /nfs/dbraw/zinc/03/87/30/638038730.db2.gz DROQCRACGFNEHX-YKZUCCNHSA-N 1 0 290.407 2.111 20 10 CECDRO CC[C@H](CO)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835055056 638041052 /nfs/dbraw/zinc/04/10/52/638041052.db2.gz PNFQKZAEWXZLEZ-LQYUOIDQSA-N 1 0 262.397 2.469 20 10 CECDRO COCC[C@@H](COC)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835056016 638041955 /nfs/dbraw/zinc/04/19/55/638041955.db2.gz RCCIMPAHGVNRDG-KJPDOMRESA-N 1 0 292.423 2.407 20 10 CECDRO COC[C@@H]1CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835056950 638042065 /nfs/dbraw/zinc/04/20/65/638042065.db2.gz WYXWJDHLQZSSKA-AWFCHZOYSA-N 1 0 260.381 2.487 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2cn[nH]c2)cc1 ZINC000835057141 638042500 /nfs/dbraw/zinc/04/25/00/638042500.db2.gz YNOKILOSSSVAOX-ARJAWSKDSA-N 1 0 270.380 2.321 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc1C ZINC000835072275 638048340 /nfs/dbraw/zinc/04/83/40/638048340.db2.gz DZEUVLCEQDWVMP-LSDHHAIUSA-N 1 0 288.391 2.247 20 10 CECDRO Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000876665764 650388451 /nfs/dbraw/zinc/38/84/51/650388451.db2.gz HIHSVNJGQCBHOA-WCQYABFASA-N 1 0 272.348 2.156 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000876678631 650395777 /nfs/dbraw/zinc/39/57/77/650395777.db2.gz HTMKRUYKEFCSKL-AWEZNQCLSA-N 1 0 277.364 2.428 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000876678632 650395902 /nfs/dbraw/zinc/39/59/02/650395902.db2.gz HTMKRUYKEFCSKL-CQSZACIVSA-N 1 0 277.364 2.428 20 10 CECDRO CN1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000876731219 650412937 /nfs/dbraw/zinc/41/29/37/650412937.db2.gz GJHBCOZWOXHRJG-QIAWRQBBSA-N 1 0 285.391 2.025 20 10 CECDRO Cc1ccc(C[NH+]2CCC(OCCCO)CC2)c(O)c1 ZINC000876771661 650427498 /nfs/dbraw/zinc/42/74/98/650427498.db2.gz VYQRBEMKTRAFGG-UHFFFAOYSA-N 1 0 279.380 2.064 20 10 CECDRO COc1ccc2c(c1)CCCN2C(=O)C1=CCC[NH2+]CC1 ZINC000912162639 638594031 /nfs/dbraw/zinc/59/40/31/638594031.db2.gz JUWWOWLMJXUYMN-UHFFFAOYSA-N 1 0 286.375 2.284 20 10 CECDRO COC(=O)[C@H](COC(C)C)N(C)Cc1ccc(C)cc1O ZINC000876812816 650442645 /nfs/dbraw/zinc/44/26/45/650442645.db2.gz YZGNNPOBKWKJQS-AWEZNQCLSA-N 1 0 295.379 2.099 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000876873699 650467440 /nfs/dbraw/zinc/46/74/40/650467440.db2.gz OFMXBEGVIVAFAQ-OAHLLOKOSA-N 1 0 287.407 2.149 20 10 CECDRO Cc1cccc2c1N(C(=O)/C=C/[C@@H]1CCC[NH2+]C1)CC2 ZINC000876885259 650472723 /nfs/dbraw/zinc/47/27/23/650472723.db2.gz KNLBVLRXMXAABC-NPQIQWPPSA-N 1 0 270.376 2.440 20 10 CECDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000876905544 650480503 /nfs/dbraw/zinc/48/05/03/650480503.db2.gz IODFHPFGNXFZBF-HIFRSBDPSA-N 1 0 289.423 2.290 20 10 CECDRO Cc1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c(O)c1 ZINC000876926492 650488493 /nfs/dbraw/zinc/48/84/93/650488493.db2.gz WRZSZMMYNLJBDZ-UHFFFAOYSA-N 1 0 290.407 2.437 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)C2CC2)c(O)c1C ZINC000840882853 639570747 /nfs/dbraw/zinc/57/07/47/639570747.db2.gz KJRGMJIYSAOTKK-LBPRGKRZSA-N 1 0 297.420 2.237 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c(Cl)c1 ZINC000840898649 639576882 /nfs/dbraw/zinc/57/68/82/639576882.db2.gz IXVXXCDYTAPZSD-LLVKDONJSA-N 1 0 296.798 2.453 20 10 CECDRO C[C@](CO)([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000227212842 639577330 /nfs/dbraw/zinc/57/73/30/639577330.db2.gz HHJYSRVBVHFATJ-MRXNPFEDSA-N 1 0 257.333 2.390 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)OC)c1 ZINC000168823533 639586323 /nfs/dbraw/zinc/58/63/23/639586323.db2.gz BJFLWLVMAINITG-JTQLQIEISA-N 1 0 253.342 2.476 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@](C)(O)C1CC1 ZINC000840933955 639591264 /nfs/dbraw/zinc/59/12/64/639591264.db2.gz KCYIOORQMWGWJT-MRXNPFEDSA-N 1 0 262.397 2.312 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000840938211 639592910 /nfs/dbraw/zinc/59/29/10/639592910.db2.gz LTLUDTHOGDUNBF-XJKSGUPXSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](CO)C(C)C ZINC000840946267 639596874 /nfs/dbraw/zinc/59/68/74/639596874.db2.gz MLIIYHPNPOBXTF-HNNXBMFYSA-N 1 0 264.413 2.415 20 10 CECDRO COCC[C@@H](C)C[NH2+]Cc1cc(OC)ccc1O ZINC000840954201 639599405 /nfs/dbraw/zinc/59/94/05/639599405.db2.gz AOZZDGVWDJFUSM-LLVKDONJSA-N 1 0 253.342 2.163 20 10 CECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000840975172 639607029 /nfs/dbraw/zinc/60/70/29/639607029.db2.gz MDISRAXANGTZHT-INIZCTEOSA-N 1 0 277.364 2.476 20 10 CECDRO COc1cc(Cl)cc(CNC[C@@H]2CCCC[NH2+]2)c1O ZINC000841033382 639625413 /nfs/dbraw/zinc/62/54/13/639625413.db2.gz SKCFCNYLJAQWLA-LBPRGKRZSA-N 1 0 284.787 2.286 20 10 CECDRO Nc1ccc(CC[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000841035264 639627932 /nfs/dbraw/zinc/62/79/32/639627932.db2.gz HADHULXQBGUYNM-UHFFFAOYSA-N 1 0 284.359 2.372 20 10 CECDRO Cc1nn(C)c2ncc(C[NH2+]CCc3ccc(N)cc3)cc12 ZINC000841036453 639628036 /nfs/dbraw/zinc/62/80/36/639628036.db2.gz OASLPOWSUDSCHK-UHFFFAOYSA-N 1 0 295.390 2.191 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CC[NH2+]1 ZINC000841061542 639638048 /nfs/dbraw/zinc/63/80/48/639638048.db2.gz JYCXQJKCLMUKCL-KOLCDFICSA-N 1 0 299.212 2.385 20 10 CECDRO C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841064878 639640861 /nfs/dbraw/zinc/64/08/61/639640861.db2.gz VMOPNNGJTDHWOV-PRHODGIISA-N 1 0 272.751 2.272 20 10 CECDRO Cc1cc(O)c(CN[C@H]2C[NH2+]CCC2(F)F)cc1C ZINC000841074578 639644694 /nfs/dbraw/zinc/64/46/94/639644694.db2.gz DKLVPWJNHUFGKN-ZDUSSCGKSA-N 1 0 270.323 2.096 20 10 CECDRO C[C@H](CCC[NH3+])[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841079978 639648024 /nfs/dbraw/zinc/64/80/24/639648024.db2.gz MLHRTMCFBLYDAY-MRVPVSSYSA-N 1 0 260.740 2.402 20 10 CECDRO [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000841084652 639650634 /nfs/dbraw/zinc/65/06/34/639650634.db2.gz MNQSMHHSVMEDJH-KCJUWKMLSA-N 1 0 272.751 2.402 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C3CC3)C2)c1O ZINC000228673565 639651398 /nfs/dbraw/zinc/65/13/98/639651398.db2.gz PQFOIKVLPRPVEL-GFCCVEGCSA-N 1 0 296.798 2.381 20 10 CECDRO C[C@H]1[C@@H]([NH3+])CCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000841086947 639652445 /nfs/dbraw/zinc/65/24/45/639652445.db2.gz FRILGONGRARDED-UXGDDLMTSA-N 1 0 259.397 2.187 20 10 CECDRO Oc1cccc(Cl)c1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105306 639678267 /nfs/dbraw/zinc/67/82/67/639678267.db2.gz JOTHAELHZPGYQN-AWEZNQCLSA-N 1 0 266.772 2.374 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C)cn2)c1 ZINC000061320125 639696489 /nfs/dbraw/zinc/69/64/89/639696489.db2.gz ZSIUWJOSPBYAKE-LLVKDONJSA-N 1 0 273.336 2.350 20 10 CECDRO COCC(C)(C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877003654 650527455 /nfs/dbraw/zinc/52/74/55/650527455.db2.gz XSEVCIJDINEBGB-UHFFFAOYSA-N 1 0 292.423 2.162 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841751274 639858225 /nfs/dbraw/zinc/85/82/25/639858225.db2.gz HBPQFXPNQRHQPX-VIFPVBQESA-N 1 0 270.760 2.175 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)CC2 ZINC000841762526 639859553 /nfs/dbraw/zinc/85/95/53/639859553.db2.gz PUPZDXMEUHUKPP-VXGBXAGGSA-N 1 0 282.334 2.309 20 10 CECDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841762699 639860042 /nfs/dbraw/zinc/86/00/42/639860042.db2.gz JSMFFSQWGMNZGK-RNCFNFMXSA-N 1 0 273.760 2.094 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccccc1O ZINC000841765338 639861315 /nfs/dbraw/zinc/86/13/15/639861315.db2.gz PPCSOUJHDPBDCQ-WDEREUQCSA-N 1 0 270.323 2.382 20 10 CECDRO Nc1ccc(CCNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000841847928 639880491 /nfs/dbraw/zinc/88/04/91/639880491.db2.gz NDJVEIXWXPALQQ-KRWDZBQOSA-N 1 0 297.402 2.408 20 10 CECDRO Nc1ccc(CC(=O)N2CCCc3cccc(C[NH3+])c32)cc1 ZINC000877017396 650532922 /nfs/dbraw/zinc/53/29/22/650532922.db2.gz NIQFJDGESODFLT-UHFFFAOYSA-N 1 0 295.386 2.249 20 10 CECDRO Cc1ccc(C[NH2+]CCCN2CCCCC2=O)c(O)c1 ZINC000877022736 650534693 /nfs/dbraw/zinc/53/46/93/650534693.db2.gz RCLSMMYMWQNVLF-UHFFFAOYSA-N 1 0 276.380 2.193 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CC[NH3+] ZINC000841968305 639913372 /nfs/dbraw/zinc/91/33/72/639913372.db2.gz VZEQJJRKRLCKGP-CYBMUJFWSA-N 1 0 293.411 2.441 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC000877049535 650548145 /nfs/dbraw/zinc/54/81/45/650548145.db2.gz GRFFXTQBOZMGMA-KBPBESRZSA-N 1 0 297.420 2.146 20 10 CECDRO CC[NH+](CC)CCCNC(=O)NCc1c(O)cccc1F ZINC000913852277 640139687 /nfs/dbraw/zinc/13/96/87/640139687.db2.gz LGHBRNMVNMCZMD-UHFFFAOYSA-N 1 0 297.374 2.062 20 10 CECDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1OC)c1ccc(C)cc1O ZINC000842909557 640219385 /nfs/dbraw/zinc/21/93/85/640219385.db2.gz JACBOJSUWBZUGS-GZBFAFLISA-N 1 0 265.353 2.155 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000842913308 640220627 /nfs/dbraw/zinc/22/06/27/640220627.db2.gz ZHLNGEOQCZQKJO-BQKRADJCSA-N 1 0 281.327 2.083 20 10 CECDRO CCN(CC)c1ccc(CN(C)[C@H]2CC[NH2+]C2)cc1 ZINC000843049604 640253786 /nfs/dbraw/zinc/25/37/86/640253786.db2.gz SQDLRASRFNEMBA-INIZCTEOSA-N 1 0 261.413 2.327 20 10 CECDRO CCOc1cccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1O ZINC000843055399 640257027 /nfs/dbraw/zinc/25/70/27/640257027.db2.gz ITLIVDQWMQPKEE-CQSZACIVSA-N 1 0 276.380 2.117 20 10 CECDRO C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000843057873 640259540 /nfs/dbraw/zinc/25/95/40/640259540.db2.gz NFFQESDXLDGPEL-UWVGGRQHSA-N 1 0 299.212 2.324 20 10 CECDRO CCC[C@H]1C[NH2+]CCN1Cc1cc(F)ccc1O ZINC000843057326 640259990 /nfs/dbraw/zinc/25/99/90/640259990.db2.gz CDKOYKRAQFIVOM-ZDUSSCGKSA-N 1 0 252.333 2.105 20 10 CECDRO Cc1n[nH]cc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057406 640260013 /nfs/dbraw/zinc/26/00/13/640260013.db2.gz KORPAPQMXUOMOP-UHFFFAOYSA-N 1 0 256.353 2.130 20 10 CECDRO C[NH2+][C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000843344611 640396408 /nfs/dbraw/zinc/39/64/08/640396408.db2.gz NQMQWXHPXANEMQ-GFCCVEGCSA-N 1 0 282.771 2.042 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C[NH3+])c1O ZINC000843347181 640398278 /nfs/dbraw/zinc/39/82/78/640398278.db2.gz BTBOGMVDMOMTMU-ZDUSSCGKSA-N 1 0 280.343 2.047 20 10 CECDRO CCCc1noc(CN2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843350348 640399131 /nfs/dbraw/zinc/39/91/31/640399131.db2.gz NLPQPBINRXTSNA-UHFFFAOYSA-N 1 0 286.379 2.434 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843364441 640405308 /nfs/dbraw/zinc/40/53/08/640405308.db2.gz IGBOMRCSZSTVJL-GXSJLCMTSA-N 1 0 296.798 2.417 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000877120801 650581477 /nfs/dbraw/zinc/58/14/77/650581477.db2.gz IVDNZIATCANTMX-AWEZNQCLSA-N 1 0 283.375 2.464 20 10 CECDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000230153961 640476283 /nfs/dbraw/zinc/47/62/83/640476283.db2.gz REGPEJJZMRWTHP-YOEHRIQHSA-N 1 0 290.407 2.180 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@H](O)C(F)(F)F ZINC000877126081 650584113 /nfs/dbraw/zinc/58/41/13/650584113.db2.gz FFGWCWVDCUYFCR-JQWIXIFHSA-N 1 0 277.286 2.492 20 10 CECDRO COc1cc(CN2CC[NH+](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000915790269 640614905 /nfs/dbraw/zinc/61/49/05/640614905.db2.gz YKLDCQNQFVIKGT-UHFFFAOYSA-N 1 0 292.423 2.446 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccccc1O ZINC000844313016 640672834 /nfs/dbraw/zinc/67/28/34/640672834.db2.gz PQQFNDNHZGFSAY-JSGCOSHPSA-N 1 0 290.363 2.416 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CC2CCOCC2)cc1 ZINC000844401112 640708491 /nfs/dbraw/zinc/70/84/91/640708491.db2.gz KJVUCGBPYQAYSH-UHFFFAOYSA-N 1 0 292.423 2.490 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CCc2cn[nH]c2)cc1 ZINC000844402688 640709697 /nfs/dbraw/zinc/70/96/97/640709697.db2.gz TUEPQDUBEZGDQX-UHFFFAOYSA-N 1 0 288.395 2.029 20 10 CECDRO CCC1([NH+](C)C)CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000877194521 650620008 /nfs/dbraw/zinc/62/00/08/650620008.db2.gz PSZFRMLZSLQTJJ-UHFFFAOYSA-N 1 0 289.423 2.144 20 10 CECDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000846017901 641153014 /nfs/dbraw/zinc/15/30/14/641153014.db2.gz RBXUQBSZSORFCQ-ZWNOBZJWSA-N 1 0 255.333 2.418 20 10 CECDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000846019483 641154864 /nfs/dbraw/zinc/15/48/64/641154864.db2.gz ZNSDIPRVUHBVER-DGCLKSJQSA-N 1 0 267.369 2.288 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CC[C@]1(O)CCCOC1 ZINC000846110816 641185844 /nfs/dbraw/zinc/18/58/44/641185844.db2.gz NZCPDRIXSPPWCA-CQSZACIVSA-N 1 0 285.771 2.067 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@H]1C1CC1 ZINC000846122398 641194015 /nfs/dbraw/zinc/19/40/15/641194015.db2.gz IPHSKCYNRUDASB-LSDHHAIUSA-N 1 0 289.375 2.332 20 10 CECDRO CCN(CC)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846135717 641198160 /nfs/dbraw/zinc/19/81/60/641198160.db2.gz FTGLIRMDFONSNP-LBPRGKRZSA-N 1 0 266.385 2.393 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C2CCOCC2)c1O ZINC000846142250 641199049 /nfs/dbraw/zinc/19/90/49/641199049.db2.gz ZBRMUCQQBJKWBA-JTQLQIEISA-N 1 0 251.326 2.230 20 10 CECDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846143862 641200752 /nfs/dbraw/zinc/20/07/52/641200752.db2.gz INJOGQQFMYYTSK-GMXVVIOVSA-N 1 0 267.369 2.458 20 10 CECDRO CC[C@H](CCO)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846145515 641202059 /nfs/dbraw/zinc/20/20/59/641202059.db2.gz OGOXGPFQPBBZAZ-GHMZBOCLSA-N 1 0 253.342 2.212 20 10 CECDRO CCn1cc(C[NH2+][C@H](C)c2cccc(OC)c2O)cn1 ZINC000846152219 641204109 /nfs/dbraw/zinc/20/41/09/641204109.db2.gz QMRUDENGCGUSAI-LLVKDONJSA-N 1 0 275.352 2.468 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](CCO)C2CC2)c1O ZINC000846152653 641204328 /nfs/dbraw/zinc/20/43/28/641204328.db2.gz BNCMGDGBDYIBSM-GXFFZTMASA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)c1O ZINC000846154339 641206168 /nfs/dbraw/zinc/20/61/68/641206168.db2.gz PYPUTIDQBKAVDI-ADWYPQAOSA-N 1 0 285.409 2.209 20 10 CECDRO COC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)C1CC1 ZINC000846157673 641207104 /nfs/dbraw/zinc/20/71/04/641207104.db2.gz OAHRJPHVABLYJQ-MFKMUULPSA-N 1 0 265.353 2.476 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCC(C)(C)O)c1O ZINC000846162219 641208011 /nfs/dbraw/zinc/20/80/11/641208011.db2.gz CBLVULGHJFWIFB-JTQLQIEISA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1O ZINC000846162246 641208106 /nfs/dbraw/zinc/20/81/06/641208106.db2.gz CGFOPBWEZALINY-RYUDHWBXSA-N 1 0 287.363 2.263 20 10 CECDRO CCOC[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846163971 641209424 /nfs/dbraw/zinc/20/94/24/641209424.db2.gz KSSFTCKKDHGCLA-WDEREUQCSA-N 1 0 253.342 2.476 20 10 CECDRO CCN1C[C@H](C[NH2+][C@H](C)c2cc(C)ccc2O)CC1=O ZINC000846210272 641224281 /nfs/dbraw/zinc/22/42/81/641224281.db2.gz WVSPHYLSLOHCCI-OLZOCXBDSA-N 1 0 276.380 2.220 20 10 CECDRO C[C@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CC[N@@H+]1C ZINC000846474219 641311740 /nfs/dbraw/zinc/31/17/40/641311740.db2.gz SEYBTRMLZMOAJK-QWRGUYRKSA-N 1 0 296.798 2.392 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2C=CCC2)cc1 ZINC000846663219 641380482 /nfs/dbraw/zinc/38/04/82/641380482.db2.gz FLMUAXFLGOJJOF-CJNGLKHVSA-N 1 0 287.407 2.225 20 10 CECDRO [NH3+]CC1(C(=O)NCCCSc2nccs2)CCCC1 ZINC000238003735 641418293 /nfs/dbraw/zinc/41/82/93/641418293.db2.gz YYYJIBWGVNEZRV-UHFFFAOYSA-N 1 0 299.465 2.261 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1CN(CC)C(=O)O1 ZINC000846809997 641434216 /nfs/dbraw/zinc/43/42/16/641434216.db2.gz TXAWWJPVSCDQTF-AWEZNQCLSA-N 1 0 292.379 2.445 20 10 CECDRO COc1cccc(C[N@H+](C)Cc2cccnc2)c1O ZINC000183660821 641776059 /nfs/dbraw/zinc/77/60/59/641776059.db2.gz KMHWPPVQCITJKE-UHFFFAOYSA-N 1 0 258.321 2.428 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)CC[NH2+]C2CC2)cc1 ZINC000848411520 641982020 /nfs/dbraw/zinc/98/20/20/641982020.db2.gz QWRFBDKJZULLJM-UHFFFAOYSA-N 1 0 289.423 2.291 20 10 CECDRO CC[N@@H+](Cc1ccc(C)cc1O)C[C@@H](O)C(F)(F)F ZINC000877429418 650716604 /nfs/dbraw/zinc/71/66/04/650716604.db2.gz XYJBBKLTLLPQFT-GFCCVEGCSA-N 1 0 277.286 2.446 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@H]2C)cc1OC ZINC000816648688 642162274 /nfs/dbraw/zinc/16/22/74/642162274.db2.gz NOZVOTPBVISFNM-NXEZZACHSA-N 1 0 251.326 2.250 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@H]2CCCCNC2=O)c1O ZINC000848884744 642170943 /nfs/dbraw/zinc/17/09/43/642170943.db2.gz JNMPSHTZCWSPRA-AWEZNQCLSA-N 1 0 276.380 2.055 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC)c1O ZINC000848888408 642173303 /nfs/dbraw/zinc/17/33/03/642173303.db2.gz SXPXGFNSDNBNLO-CQSZACIVSA-N 1 0 277.364 2.482 20 10 CECDRO CCc1cccc(C[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)c1O ZINC000848890846 642174485 /nfs/dbraw/zinc/17/44/85/642174485.db2.gz UPMRXSWEDVTOPT-AWEZNQCLSA-N 1 0 290.407 2.255 20 10 CECDRO CCc1cccc(C[NH2+]CCCN2CCCC2=O)c1O ZINC000848890061 642174922 /nfs/dbraw/zinc/17/49/22/642174922.db2.gz DNXOQUWCLFAQEM-UHFFFAOYSA-N 1 0 276.380 2.057 20 10 CECDRO CCc1cccc(C[NH2+]CC(=O)NC2CCCC2)c1O ZINC000848894644 642175937 /nfs/dbraw/zinc/17/59/37/642175937.db2.gz FQKWSJJQSVWGCK-UHFFFAOYSA-N 1 0 276.380 2.103 20 10 CECDRO CCc1cccc(C[NH2+]CCS(=O)(=O)C(C)(C)C)c1O ZINC000848898131 642177953 /nfs/dbraw/zinc/17/79/53/642177953.db2.gz YNUDFBYTHDOAMP-UHFFFAOYSA-N 1 0 299.436 2.258 20 10 CECDRO CCc1cccc(C[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000848908381 642183629 /nfs/dbraw/zinc/18/36/29/642183629.db2.gz SHBWRCFMGLZWBO-DYVFJYSZSA-N 1 0 291.391 2.334 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H]2CCCN(C(C)=O)C2)c1O ZINC000848908547 642184922 /nfs/dbraw/zinc/18/49/22/642184922.db2.gz XCERSLHXAUPQRT-CQSZACIVSA-N 1 0 290.407 2.303 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H]3CN(C)C[C@@H]32)c1O ZINC000848912884 642187431 /nfs/dbraw/zinc/18/74/31/642187431.db2.gz LFVHMAWNJTWHJA-ZFWWWQNUSA-N 1 0 260.381 2.091 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)c1 ZINC000848925883 642196813 /nfs/dbraw/zinc/19/68/13/642196813.db2.gz HVDNNCHHAIMNFD-IRXDYDNUSA-N 1 0 285.343 2.149 20 10 CECDRO COc1ccc(CNC(=[NH2+])N2CCCCCC2)c(O)c1 ZINC000849024840 642238362 /nfs/dbraw/zinc/23/83/62/642238362.db2.gz BRFYMQAIPJIEJH-UHFFFAOYSA-N 1 0 277.368 2.301 20 10 CECDRO CCCCNC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000849049999 642258269 /nfs/dbraw/zinc/25/82/69/642258269.db2.gz WNUGNEQOBKTQKT-UHFFFAOYSA-N 1 0 255.749 2.460 20 10 CECDRO c1cn2c(n1)CC[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)C2 ZINC000921631126 642288856 /nfs/dbraw/zinc/28/88/56/642288856.db2.gz JABLLWQJVVFVAD-HNNXBMFYSA-N 1 0 283.375 2.313 20 10 CECDRO [NH3+]C1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCC1 ZINC000849350307 642340846 /nfs/dbraw/zinc/34/08/46/642340846.db2.gz XLVGCZMTRFUMTD-UHFFFAOYSA-N 1 0 254.761 2.407 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000877505148 650755672 /nfs/dbraw/zinc/75/56/72/650755672.db2.gz XMUPYHGCBFSQSN-ZDUSSCGKSA-N 1 0 298.390 2.452 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c(O)c1 ZINC000877537305 650774883 /nfs/dbraw/zinc/77/48/83/650774883.db2.gz KPTHPTKAZLGSIJ-RHSMWYFYSA-N 1 0 285.343 2.285 20 10 CECDRO CO[C@H](C[NH2+]Cc1cc(C)c(C)cc1O)[C@@H]1CCOC1 ZINC000850343952 642674070 /nfs/dbraw/zinc/67/40/70/642674070.db2.gz YKOCYOGEFYMXFM-CZUORRHYSA-N 1 0 279.380 2.150 20 10 CECDRO COC[C@H](CC[NH2+]Cc1c(O)cc(C)cc1Cl)OC ZINC000850345745 642674630 /nfs/dbraw/zinc/67/46/30/642674630.db2.gz JKQHLOMVSUNHGW-NSHDSACASA-N 1 0 287.787 2.495 20 10 CECDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(C)ccc2O)C1 ZINC000850353491 642679097 /nfs/dbraw/zinc/67/90/97/642679097.db2.gz DQGLJYIZKYTUQB-NUEKZKHPSA-N 1 0 293.407 2.356 20 10 CECDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000850356132 642680093 /nfs/dbraw/zinc/68/00/93/642680093.db2.gz NKIYFLVIUAACNS-SXGZJXTBSA-N 1 0 293.432 2.401 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000850379382 642690480 /nfs/dbraw/zinc/69/04/80/642690480.db2.gz NGDWCYLAYXDALV-RYUDHWBXSA-N 1 0 265.353 2.448 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c1 ZINC000850400439 642701310 /nfs/dbraw/zinc/70/13/10/642701310.db2.gz HZBIFNFJRICKIZ-KRWDZBQOSA-N 1 0 293.407 2.358 20 10 CECDRO COc1ccc(C[NH2+]Cc2c(C)cccc2O)c(OC)n1 ZINC000877542984 650777794 /nfs/dbraw/zinc/77/77/94/650777794.db2.gz UPMVSEWNXCUOLL-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO COC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C1CCOCC1 ZINC000850493367 642731945 /nfs/dbraw/zinc/73/19/45/642731945.db2.gz VWGUZDVSHZWVCV-SWLSCSKDSA-N 1 0 279.380 2.484 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c1O ZINC000850521234 642738024 /nfs/dbraw/zinc/73/80/24/642738024.db2.gz RRTMTJJYSHKBCN-BXKDBHETSA-N 1 0 287.306 2.476 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CO)CC2CC2)c1O ZINC000850546408 642748106 /nfs/dbraw/zinc/74/81/06/642748106.db2.gz LRXZEBHZRGDWHP-AAEUAGOBSA-N 1 0 279.380 2.460 20 10 CECDRO CCOC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850565761 642753967 /nfs/dbraw/zinc/75/39/67/642753967.db2.gz HWJBYUPBSXTPSZ-CQSZACIVSA-N 1 0 292.423 2.162 20 10 CECDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(Br)cc1O ZINC000850578271 642755675 /nfs/dbraw/zinc/75/56/75/642755675.db2.gz IVBQDXXDKDEVHR-SZEHBUNVSA-N 1 0 286.169 2.329 20 10 CECDRO Cn1nccc1CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921998423 642833702 /nfs/dbraw/zinc/83/37/02/642833702.db2.gz JOKHKQNJPLGUPW-UHFFFAOYSA-N 1 0 271.364 2.077 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c(O)c1 ZINC000877569963 650794146 /nfs/dbraw/zinc/79/41/46/650794146.db2.gz BMXFMEZURFZFAY-LJQANCHMSA-N 1 0 281.421 2.434 20 10 CECDRO c1nc2c([nH]1)C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000922140251 642902066 /nfs/dbraw/zinc/90/20/66/642902066.db2.gz VIETYSGFMXPGIU-CQSZACIVSA-N 1 0 283.375 2.382 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H]2CN(C)C[C@H]21 ZINC000877598494 650807912 /nfs/dbraw/zinc/80/79/12/650807912.db2.gz GTTTYDWJBXRLPC-DZGCQCFKSA-N 1 0 260.381 2.227 20 10 CECDRO Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CCN2C)c1 ZINC000922575981 643135278 /nfs/dbraw/zinc/13/52/78/643135278.db2.gz IXCOGMGXQBSQQI-LLVKDONJSA-N 1 0 299.212 2.257 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCN(CC)C1=O ZINC000851792413 643164195 /nfs/dbraw/zinc/16/41/95/643164195.db2.gz OGEPNHIDFLPZJM-CQSZACIVSA-N 1 0 276.380 2.225 20 10 CECDRO CCN1CCC[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C1=O ZINC000922639464 643172483 /nfs/dbraw/zinc/17/24/83/643172483.db2.gz MHQAAQOTWWARJL-CQSZACIVSA-N 1 0 276.380 2.110 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1O ZINC000922722698 643229844 /nfs/dbraw/zinc/22/98/44/643229844.db2.gz UNCOUSKEDUHCKD-CFVMTHIKSA-N 1 0 289.375 2.472 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2CC3(C2)OCCO3)cc1C ZINC000922800470 643269470 /nfs/dbraw/zinc/26/94/70/643269470.db2.gz PZTIBDBAJWSVDW-UHFFFAOYSA-N 1 0 277.364 2.252 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]Cc2ncc[nH]2)cc1 ZINC000877674396 650844389 /nfs/dbraw/zinc/84/43/89/650844389.db2.gz VFZIPKZMURKWPU-ONEGZZNKSA-N 1 0 256.353 2.279 20 10 CECDRO Cc1ccc(NCC[NH2+]Cc2ccccc2O)nc1 ZINC000922926231 643455057 /nfs/dbraw/zinc/45/50/57/643455057.db2.gz RAXUUZKLBNWTDG-UHFFFAOYSA-N 1 0 257.337 2.297 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCOC2CCOCC2)cc1F ZINC000922932360 643458678 /nfs/dbraw/zinc/45/86/78/643458678.db2.gz CXKWFVUJASNEJR-UHFFFAOYSA-N 1 0 296.386 2.177 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCOCC(=O)OC(C)(C)C ZINC000877672874 650844809 /nfs/dbraw/zinc/84/48/09/650844809.db2.gz CCFFSJYWKWVNPE-UHFFFAOYSA-N 1 0 295.379 2.149 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@H](O)C(F)F)cc1Cl ZINC000877677039 650845288 /nfs/dbraw/zinc/84/52/88/650845288.db2.gz MOYIWGFIDIRTLY-JTQLQIEISA-N 1 0 279.714 2.460 20 10 CECDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000852789920 643552601 /nfs/dbraw/zinc/55/26/01/643552601.db2.gz LYCCRGMFINQOOQ-OAHLLOKOSA-N 1 0 277.412 2.147 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F ZINC000877693759 650854405 /nfs/dbraw/zinc/85/44/05/650854405.db2.gz QCMZRABCHJXNDP-GXFFZTMASA-N 1 0 290.329 2.462 20 10 CECDRO Cc1cccc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1O ZINC000877693802 650854970 /nfs/dbraw/zinc/85/49/70/650854970.db2.gz QYMQSPBZSJYRAO-KWQFWETISA-N 1 0 263.259 2.102 20 10 CECDRO Cc1cc(CN(C2CC2)[C@@H]2CC[NH2+]C2)ccc1N(C)C ZINC000923329419 643660584 /nfs/dbraw/zinc/66/05/84/643660584.db2.gz IRSYWAYQPFQGRC-MRXNPFEDSA-N 1 0 273.424 2.387 20 10 CECDRO CCn1nccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000853242021 643720555 /nfs/dbraw/zinc/72/05/55/643720555.db2.gz ZENNSFVTJMGHOP-ZDUSSCGKSA-N 1 0 257.337 2.386 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1 ZINC000853554669 643811859 /nfs/dbraw/zinc/81/18/59/643811859.db2.gz BZTJFXHPTFKPNY-DZGCQCFKSA-N 1 0 288.391 2.110 20 10 CECDRO C[C@]12COC[C@H]1C[N@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000853566079 643814582 /nfs/dbraw/zinc/81/45/82/643814582.db2.gz LGQRRMNXTSTPQM-DYVFJYSZSA-N 1 0 284.359 2.409 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1O ZINC000853585393 643823935 /nfs/dbraw/zinc/82/39/35/643823935.db2.gz GVYRBWOFWZOGHF-JSGCOSHPSA-N 1 0 277.364 2.178 20 10 CECDRO Cc1c[nH+]ccc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853955347 643954675 /nfs/dbraw/zinc/95/46/75/643954675.db2.gz MBVYNUXYLFGTHO-UHFFFAOYSA-N 1 0 297.402 2.385 20 10 CECDRO CCOc1ccc(O)c(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877743569 650888351 /nfs/dbraw/zinc/88/83/51/650888351.db2.gz LDWKPFMVCQBOQU-CJNGLKHVSA-N 1 0 290.407 2.317 20 10 CECDRO Oc1ccccc1C[N@H+](C[C@H](O)C1CC1)C[C@@H]1CCCO1 ZINC000838894865 644072874 /nfs/dbraw/zinc/07/28/74/644072874.db2.gz KNQPFHMZSYEWHP-RDJZCZTQSA-N 1 0 291.391 2.144 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000839182214 644181517 /nfs/dbraw/zinc/18/15/17/644181517.db2.gz LRSHEGQAFDJBQL-CABCVRRESA-N 1 0 277.364 2.448 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2CC)c1 ZINC000839191872 644185342 /nfs/dbraw/zinc/18/53/42/644185342.db2.gz LKQKNENASNJXFG-HIFRSBDPSA-N 1 0 265.353 2.448 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000877755748 650898858 /nfs/dbraw/zinc/89/88/58/650898858.db2.gz LVXKAIMYSOWZSE-LYIQGSDWSA-N 1 0 263.337 2.240 20 10 CECDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2O)[nH]1 ZINC000877756444 650899366 /nfs/dbraw/zinc/89/93/66/650899366.db2.gz IZDNKDJIHSWDON-SNVBAGLBSA-N 1 0 274.320 2.358 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCCc2cnn(C)c2)c1 ZINC000113333417 644356950 /nfs/dbraw/zinc/35/69/50/644356950.db2.gz YSGPWZDRRKOPPS-UHFFFAOYSA-N 1 0 259.353 2.157 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCS1 ZINC000754872655 644444936 /nfs/dbraw/zinc/44/49/36/644444936.db2.gz OBGCQBJWNZYXLB-QMTHXVAHSA-N 1 0 295.404 2.145 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c1 ZINC000877835287 650927711 /nfs/dbraw/zinc/92/77/11/650927711.db2.gz NNOUCKIYIREOIZ-ZDUSSCGKSA-N 1 0 279.380 2.384 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCNC2=O)c2c1c(F)ccc2O ZINC000756395816 644643366 /nfs/dbraw/zinc/64/33/66/644643366.db2.gz JJNSDZCZXRILHF-USWWRNFRSA-N 1 0 292.354 2.338 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1COCCO1)c1cc2c(cc1O)CCCC2 ZINC000756435106 644648885 /nfs/dbraw/zinc/64/88/85/644648885.db2.gz VSOAQGGOEPPZDT-SWLSCSKDSA-N 1 0 291.391 2.337 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c1 ZINC000756542502 644661316 /nfs/dbraw/zinc/66/13/16/644661316.db2.gz ASPMNNACGPEWHV-KBPBESRZSA-N 1 0 278.396 2.072 20 10 CECDRO C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(F)ccc1O ZINC000756583061 644671448 /nfs/dbraw/zinc/67/14/48/644671448.db2.gz MMTCXSJRCZIZRC-WCQYABFASA-N 1 0 283.343 2.378 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)c2cccnc2)c1 ZINC000756756728 644689124 /nfs/dbraw/zinc/68/91/24/644689124.db2.gz AGIVCFWHHMOCIX-BZNIZROVSA-N 1 0 288.347 2.180 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)ncn2)c1 ZINC000756774274 644691373 /nfs/dbraw/zinc/69/13/73/644691373.db2.gz BLDZPYCPYYKOFU-NSHDSACASA-N 1 0 273.336 2.350 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@H]3CCO[C@H]3C)CC2)cc1 ZINC000877912516 650945109 /nfs/dbraw/zinc/94/51/09/650945109.db2.gz XOHOGNZRXYZMAC-LSDHHAIUSA-N 1 0 290.407 2.242 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CO)C2CCOCC2)c1 ZINC000757656654 644831963 /nfs/dbraw/zinc/83/19/63/644831963.db2.gz BVWYKHNKXSOZPK-WFASDCNBSA-N 1 0 279.380 2.139 20 10 CECDRO CCOc1ccc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c(O)c1 ZINC000857226739 644859301 /nfs/dbraw/zinc/85/93/01/644859301.db2.gz YJHPMFGYWLOCHZ-BBRMVZONSA-N 1 0 276.380 2.104 20 10 CECDRO CCOCc1cc(C[NH2+]CC[C@H](C)O)ccc1OC ZINC000758480621 644933499 /nfs/dbraw/zinc/93/34/99/644933499.db2.gz KBFOKXNLXPAILZ-LBPRGKRZSA-N 1 0 267.369 2.092 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]C2CCOCC2)cc1F ZINC000858100505 645061015 /nfs/dbraw/zinc/06/10/15/645061015.db2.gz IOZCBXGREKVRNY-UHFFFAOYSA-N 1 0 270.323 2.299 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CC2(O)CCC2)cc1F ZINC000858133712 645070529 /nfs/dbraw/zinc/07/05/29/645070529.db2.gz VPXIWCRINAMGOQ-UHFFFAOYSA-N 1 0 270.323 2.035 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCC[C@H]2O)cc1F ZINC000858136631 645071697 /nfs/dbraw/zinc/07/16/97/645071697.db2.gz WFPZFYKFESQYGI-UKRRQHHQSA-N 1 0 284.350 2.424 20 10 CECDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858142450 645073349 /nfs/dbraw/zinc/07/33/49/645073349.db2.gz BBSOOADGMGQEMV-UWVGGRQHSA-N 1 0 272.339 2.137 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1F ZINC000858185158 645082309 /nfs/dbraw/zinc/08/23/09/645082309.db2.gz SQHZVKKUXSUCLD-YVLXSGLVSA-N 1 0 282.334 2.440 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000858470571 645171505 /nfs/dbraw/zinc/17/15/05/645171505.db2.gz IZKHQCSLEMVYMS-QWHCGFSZSA-N 1 0 273.332 2.231 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H](CCO)C2CCOCC2)cc1 ZINC000763467820 645548809 /nfs/dbraw/zinc/54/88/09/645548809.db2.gz TUEXCPYLBCCWIQ-KRWDZBQOSA-N 1 0 292.423 2.020 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@@H](CO)CC(F)F)c1O ZINC000763536610 645554860 /nfs/dbraw/zinc/55/48/60/645554860.db2.gz DQMHLOQLOISOJF-SNVBAGLBSA-N 1 0 279.714 2.460 20 10 CECDRO CO[C@@]1(C[NH2+]Cc2cc(Cl)cc(C)c2O)CCOC1 ZINC000764684592 645674724 /nfs/dbraw/zinc/67/47/24/645674724.db2.gz ZBMYJWDOEPPYSS-CQSZACIVSA-N 1 0 285.771 2.249 20 10 CECDRO CCOc1ccc(C[NH2+]C2(COC)CC2)c(O)c1 ZINC000765264181 645750248 /nfs/dbraw/zinc/75/02/48/645750248.db2.gz RFZCYQNXGZLTAD-UHFFFAOYSA-N 1 0 251.326 2.060 20 10 CECDRO CCOCc1cc(C[NH2+]CC[C@@H](C)O)ccc1OC ZINC000767926485 646056768 /nfs/dbraw/zinc/05/67/68/646056768.db2.gz KBFOKXNLXPAILZ-GFCCVEGCSA-N 1 0 267.369 2.092 20 10 CECDRO CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768440112 646122511 /nfs/dbraw/zinc/12/25/11/646122511.db2.gz SQUNGPIHHUTTGV-IAQYHMDHSA-N 1 0 277.364 2.440 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H]1C ZINC000768466023 646127865 /nfs/dbraw/zinc/12/78/65/646127865.db2.gz VNYTTXSUWUSDTR-JRPNMDOOSA-N 1 0 277.364 2.296 20 10 CECDRO Cn1nnc2cc(C[N@H+](C)Cc3ccccc3O)ccc21 ZINC000768540651 646136570 /nfs/dbraw/zinc/13/65/70/646136570.db2.gz ACJLSIHUBBGAIX-UHFFFAOYSA-N 1 0 282.347 2.306 20 10 CECDRO COc1cccc(O)c1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000769143942 646215070 /nfs/dbraw/zinc/21/50/70/646215070.db2.gz DKJPRGULPBNCNJ-AWEZNQCLSA-N 1 0 290.407 2.461 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H](COC)C2)c(O)c1 ZINC000769398089 646259760 /nfs/dbraw/zinc/25/97/60/646259760.db2.gz FXUYEJKWUDKFMX-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000769935726 646336768 /nfs/dbraw/zinc/33/67/68/646336768.db2.gz PZVCAEINNFBMQK-MUBLQREKSA-N 1 0 266.360 2.308 20 10 CECDRO CN(C)c1cc(F)c(CN2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000862243382 646376370 /nfs/dbraw/zinc/37/63/70/646376370.db2.gz HWJXTBSHBHDHEM-GFCCVEGCSA-N 1 0 297.393 2.414 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000862526469 646483886 /nfs/dbraw/zinc/48/38/86/646483886.db2.gz BKOSWHNIVMHMHZ-QEEYODRMSA-N 1 0 293.432 2.440 20 10 CECDRO Cc1ccc(O)c(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000862761003 646559757 /nfs/dbraw/zinc/55/97/57/646559757.db2.gz ZQYZNTVLBXZWGC-CHWSQXEVSA-N 1 0 276.380 2.190 20 10 CECDRO C[N@H+](Cc1cccc(O)c1)Cc1cc2c(cc1O)OCO2 ZINC000771935797 646573091 /nfs/dbraw/zinc/57/30/91/646573091.db2.gz YAPCZYYUGMPRFM-UHFFFAOYSA-N 1 0 287.315 2.459 20 10 CECDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000773021716 646697082 /nfs/dbraw/zinc/69/70/82/646697082.db2.gz BJOUXAQYAAFXPV-SWLSCSKDSA-N 1 0 275.396 2.024 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCSC[C@@H]2CO)cc1 ZINC000773810864 646776952 /nfs/dbraw/zinc/77/69/52/646776952.db2.gz CKLRFYZHOLFQBR-HNNXBMFYSA-N 1 0 280.437 2.052 20 10 CECDRO CCN(C)c1ccc(C[NH+]2CCC(CO)(OC)CC2)cc1 ZINC000773943838 646788694 /nfs/dbraw/zinc/78/86/94/646788694.db2.gz HRXZMOXFQSCCPK-UHFFFAOYSA-N 1 0 292.423 2.116 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccccc1O ZINC000775137395 646926138 /nfs/dbraw/zinc/92/61/38/646926138.db2.gz UDGBMEDYBFVUQI-LLVKDONJSA-N 1 0 262.353 2.102 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000775168805 646928145 /nfs/dbraw/zinc/92/81/45/646928145.db2.gz RTFPHMDQNNBLCG-HNNXBMFYSA-N 1 0 279.286 2.494 20 10 CECDRO C[C@H]([NH2+]Cc1ccno1)c1ccc(N2CCOCC2)cc1 ZINC000775258112 646935693 /nfs/dbraw/zinc/93/56/93/646935693.db2.gz QNDZQHWLDHMLJY-ZDUSSCGKSA-N 1 0 287.363 2.362 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C)nc2)c1 ZINC000775361156 646945788 /nfs/dbraw/zinc/94/57/88/646945788.db2.gz CEPWYHAIJVTQOP-SNVBAGLBSA-N 1 0 273.336 2.350 20 10 CECDRO C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(N(C)C)cc1 ZINC000775402507 646950435 /nfs/dbraw/zinc/95/04/35/646950435.db2.gz DUDLSUAQDJCDGF-CZUORRHYSA-N 1 0 289.423 2.414 20 10 CECDRO Cc1cccc(C[NH+]2CCC(OCCCO)CC2)c1O ZINC000775723312 646984092 /nfs/dbraw/zinc/98/40/92/646984092.db2.gz FPBCJPABPSQFNP-UHFFFAOYSA-N 1 0 279.380 2.064 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)c1 ZINC000775985718 647013978 /nfs/dbraw/zinc/01/39/78/647013978.db2.gz NEYIFYGBNAPILA-STQMWFEESA-N 1 0 278.396 2.315 20 10 CECDRO C[C@H]1C[C@H]1NC(=[NH2+])NCc1c(O)ccc2c1CCCC2 ZINC000864460804 647015196 /nfs/dbraw/zinc/01/51/96/647015196.db2.gz KCNLGFKONQYXIY-IINYFYTJSA-N 1 0 273.380 2.293 20 10 CECDRO CC[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1O ZINC000776005846 647016058 /nfs/dbraw/zinc/01/60/58/647016058.db2.gz CZHWRYVULZXRJO-IJEWVQPXSA-N 1 0 290.407 2.296 20 10 CECDRO C[C@H](NC(=O)N(C)CC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776245955 647040923 /nfs/dbraw/zinc/04/09/23/647040923.db2.gz IPNRRSBUYFAFQQ-ZDUSSCGKSA-N 1 0 292.427 2.017 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)c(O)c1 ZINC000778187715 647206934 /nfs/dbraw/zinc/20/69/34/647206934.db2.gz KUAMRUOMOWCGAL-CYBMUJFWSA-N 1 0 287.363 2.092 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c(O)c1 ZINC000778193265 647207833 /nfs/dbraw/zinc/20/78/33/647207833.db2.gz VIBCJJKGGSQXTB-UONOGXRCSA-N 1 0 265.353 2.040 20 10 CECDRO CCCC(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000779000552 647280459 /nfs/dbraw/zinc/28/04/59/647280459.db2.gz ZDZYUZANJBVHKK-UHFFFAOYSA-N 1 0 294.370 2.412 20 10 CECDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(F)ccc2O)C[C@H]1C ZINC000779018348 647281991 /nfs/dbraw/zinc/28/19/91/647281991.db2.gz FUKDTVGASGXGEA-VXGBXAGGSA-N 1 0 266.360 2.446 20 10 CECDRO OC[C@@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccco1 ZINC000779093692 647287130 /nfs/dbraw/zinc/28/71/30/647287130.db2.gz XEWKMOUBRRJQSF-LLVKDONJSA-N 1 0 279.311 2.065 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000779347205 647315541 /nfs/dbraw/zinc/31/55/41/647315541.db2.gz LENVIYYQQCXAHY-LSDHHAIUSA-N 1 0 262.397 2.310 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CC)C[C@H](C)O)c(O)c1 ZINC000865872359 647514551 /nfs/dbraw/zinc/51/45/51/647514551.db2.gz LCKYHJAPORBJLT-AAEUAGOBSA-N 1 0 267.369 2.430 20 10 CECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865871623 647514667 /nfs/dbraw/zinc/51/46/67/647514667.db2.gz NNZWUVMAPPJXOH-GOEBONIOSA-N 1 0 292.423 2.162 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C2CN(c3ccncn3)C2)c(O)c1 ZINC000866495353 647806195 /nfs/dbraw/zinc/80/61/95/647806195.db2.gz BOAGFVGKEIEXEG-GFCCVEGCSA-N 1 0 284.363 2.030 20 10 CECDRO C[C@H]1OCC[C@@H]1CN1CCCc2cc(C[NH3+])ccc21 ZINC000866659935 647858586 /nfs/dbraw/zinc/85/85/86/647858586.db2.gz YGJPNOWMWWNNAY-IUODEOHRSA-N 1 0 260.381 2.323 20 10 CECDRO CCOc1ccc(C[NH2+]CC[C@H]2CCOC2)c(O)c1 ZINC000784663824 647872754 /nfs/dbraw/zinc/87/27/54/647872754.db2.gz NCJWRZPULWTRJO-LBPRGKRZSA-N 1 0 265.353 2.307 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1ncnn1-c1ccccc1 ZINC000785524957 647934481 /nfs/dbraw/zinc/93/44/81/647934481.db2.gz DHDHZXDYHDTIMV-UHFFFAOYSA-N 1 0 280.331 2.263 20 10 CECDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000785987790 647975549 /nfs/dbraw/zinc/97/55/49/647975549.db2.gz IMVHDZDISARFTL-NTZNESFSSA-N 1 0 293.363 2.102 20 10 CECDRO C[C@H]([NH2+]CC(C)(C)CO)c1ccc(N(C)C)cc1 ZINC000122043123 648069861 /nfs/dbraw/zinc/06/98/61/648069861.db2.gz IJSFVNJAXMVMST-LBPRGKRZSA-N 1 0 250.386 2.422 20 10 CECDRO COCCOCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000788564982 648203291 /nfs/dbraw/zinc/20/32/91/648203291.db2.gz USUPMHNHBHARQV-CYBMUJFWSA-N 1 0 267.369 2.323 20 10 CECDRO CCn1cccc(C[NH2+]Cc2cc(F)ccc2O)c1=O ZINC000789751386 648337805 /nfs/dbraw/zinc/33/78/05/648337805.db2.gz CALJYNXDUKUVKO-UHFFFAOYSA-N 1 0 276.311 2.003 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CCC(C3CC3)CC1)[C@H](O)CO2 ZINC000793631578 648783662 /nfs/dbraw/zinc/78/36/62/648783662.db2.gz OZFMSGQHYPELPR-MRXNPFEDSA-N 1 0 289.375 2.440 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1ccccc1O ZINC000870988480 648971247 /nfs/dbraw/zinc/97/12/47/648971247.db2.gz QPFKKVBWPMONMD-PVXIVEMSSA-N 1 0 276.380 2.477 20 10 CECDRO C[NH+](C)C1(C)CCC(NC(=O)c2cccc(O)c2O)CC1 ZINC000871359740 649070810 /nfs/dbraw/zinc/07/08/10/649070810.db2.gz SJJITHAYEHZJQQ-UHFFFAOYSA-N 1 0 292.379 2.091 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@]23CCC[C@H]2OCC3)c1 ZINC000872262906 649332665 /nfs/dbraw/zinc/33/26/65/649332665.db2.gz FHKCSVDVQRRIAI-CABCVRRESA-N 1 0 263.337 2.202 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3COC[C@@H]3C1)CCCC2 ZINC000872785931 649490825 /nfs/dbraw/zinc/49/08/25/649490825.db2.gz LKAGOXUXZRWSLW-IYBDPMFKSA-N 1 0 273.376 2.349 20 10 CECDRO Cc1cc(C)c(O)c(C[NH+]2CCC3(CCNC3=O)CC2)c1 ZINC000872788627 649491464 /nfs/dbraw/zinc/49/14/64/649491464.db2.gz PCVFQMHUVOJLSO-UHFFFAOYSA-N 1 0 288.391 2.111 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000124261320 649493502 /nfs/dbraw/zinc/49/35/02/649493502.db2.gz HRUVYIPRDNZETD-SWLSCSKDSA-N 1 0 279.380 2.432 20 10 CECDRO CCCOc1ccc(C[NH2+]CC[S@](C)=O)cc1C ZINC000873053103 649544734 /nfs/dbraw/zinc/54/47/34/649544734.db2.gz FDCNSJRXJKBRIX-SFHVURJKSA-N 1 0 269.410 2.252 20 10 CECDRO CN(C)c1ccc(/C=C/CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873216536 649593276 /nfs/dbraw/zinc/59/32/76/649593276.db2.gz PWWNHTCVWBNDSS-ZOSBBBERSA-N 1 0 271.408 2.202 20 10 CECDRO C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000873268739 649619212 /nfs/dbraw/zinc/61/92/12/649619212.db2.gz GPPRIFYAYMJGRX-GHMZBOCLSA-N 1 0 293.367 2.339 20 10 CECDRO C[NH2+]CCCN(C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000124716463 649728240 /nfs/dbraw/zinc/72/82/40/649728240.db2.gz XKBCOKOOJWOBSO-UHFFFAOYSA-N 1 0 284.787 2.290 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[NH+](C)C)cc1F ZINC000874448586 649776485 /nfs/dbraw/zinc/77/64/85/649776485.db2.gz VKFVWEQMMQXBAU-GFCCVEGCSA-N 1 0 295.402 2.238 20 10 CECDRO CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651431 651335798 /nfs/dbraw/zinc/33/57/98/651335798.db2.gz VHFIKXJMSCHBCZ-RYUDHWBXSA-N 1 0 264.369 2.298 20 10 CECDRO C[C@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)c1ccccc1O ZINC000879651188 651335851 /nfs/dbraw/zinc/33/58/51/651335851.db2.gz LRBDUODBTUNGSJ-STQMWFEESA-N 1 0 276.380 2.444 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)[C@@H]2CCOC[C@@H]2OC)cc1 ZINC000880438152 651441164 /nfs/dbraw/zinc/44/11/64/651441164.db2.gz XRMRCNHPFUOKCE-SJORKVTESA-N 1 0 292.423 2.378 20 10 CECDRO CC(C)C[C@@H](C(N)=O)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000880590823 651466832 /nfs/dbraw/zinc/46/68/32/651466832.db2.gz WARNPPUDXKYDLP-HNNXBMFYSA-N 1 0 277.412 2.084 20 10 CECDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000883263435 652418113 /nfs/dbraw/zinc/41/81/13/652418113.db2.gz SVIWBKIFQUHHFE-JOCQHMNTSA-N 1 0 266.360 2.406 20 10 CECDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1cc(Cl)ccc1O ZINC000131512245 652432063 /nfs/dbraw/zinc/43/20/63/652432063.db2.gz VEINKGLCXFLPLA-BXKDBHETSA-N 1 0 254.761 2.357 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H]1CCCOC1 ZINC000883352420 652438601 /nfs/dbraw/zinc/43/86/01/652438601.db2.gz AMWLMRLRSBAQMQ-DGCLKSJQSA-N 1 0 293.363 2.416 20 10 CECDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000883356235 652440215 /nfs/dbraw/zinc/44/02/15/652440215.db2.gz JMKAFULHWWNWHH-NWDGAFQWSA-N 1 0 264.369 2.146 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000133390024 652624083 /nfs/dbraw/zinc/62/40/83/652624083.db2.gz LVDYHQLETMMSCG-AWEZNQCLSA-N 1 0 266.385 2.206 20 10 CECDRO CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000135719023 652980160 /nfs/dbraw/zinc/98/01/60/652980160.db2.gz DPKJLZQKCCVJHP-RYUDHWBXSA-N 1 0 264.369 2.204 20 10 CECDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000135725252 652983641 /nfs/dbraw/zinc/98/36/41/652983641.db2.gz KPKUKWMGZHLXAN-ZDUSSCGKSA-N 1 0 275.396 2.030 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(O)c1 ZINC000093820763 806712620 /nfs/dbraw/zinc/71/26/20/806712620.db2.gz CDWAFWLMENSNNN-HNNXBMFYSA-N 1 0 263.337 2.013 20 10 CECDRO COc1ccc(CNCC[C@@H](C)[NH+](C)C)cc1C ZINC000697874464 806718573 /nfs/dbraw/zinc/71/85/73/806718573.db2.gz YXQPQRGGFXZYFR-CYBMUJFWSA-N 1 0 250.386 2.433 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)c(O)c1 ZINC000160437792 806872992 /nfs/dbraw/zinc/87/29/92/806872992.db2.gz DBVFYFJVAKXPNU-LBPRGKRZSA-N 1 0 265.353 2.448 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@H]3C[C@@H]3C)CC2)c(OC)c1 ZINC001209426379 802522730 /nfs/dbraw/zinc/52/27/30/802522730.db2.gz KEYIWQIRUAWVFF-UONOGXRCSA-N 1 0 290.407 2.482 20 10 CECDRO COc1ccc(C[NH2+]CC(=O)NCc2ccco2)cc1C ZINC000030642594 802634425 /nfs/dbraw/zinc/63/44/25/802634425.db2.gz PTVQEFPIEALRSP-UHFFFAOYSA-N 1 0 288.347 2.003 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)CO1 ZINC000402293431 802824750 /nfs/dbraw/zinc/82/47/50/802824750.db2.gz NPXQYYQPOLRZJZ-KCJUWKMLSA-N 1 0 286.169 2.422 20 10 CECDRO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(F)ccc1O ZINC000723547379 802885825 /nfs/dbraw/zinc/88/58/25/802885825.db2.gz HBPHMDKIZBQWIP-QWRGUYRKSA-N 1 0 280.343 2.050 20 10 CECDRO C/C=C\C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000588489610 803080312 /nfs/dbraw/zinc/08/03/12/803080312.db2.gz ZUKUVFAVKYBUTE-ZZKXABKFSA-N 1 0 255.745 2.462 20 10 CECDRO Cc1n[nH]c(=O)c(C[NH2+][C@@H]2CCc3cccc(O)c32)c1C ZINC001117831008 814957831 /nfs/dbraw/zinc/95/78/31/814957831.db2.gz JVIDMKSUHZQDBI-CYBMUJFWSA-N 1 0 285.347 2.282 20 10 CECDRO C[C@@H]([NH2+]CCC1(CO)CC1)c1cc(F)ccc1O ZINC000395922077 803705801 /nfs/dbraw/zinc/70/58/01/803705801.db2.gz DFBPQLQMDDFRGR-SNVBAGLBSA-N 1 0 253.317 2.345 20 10 CECDRO OC1CC2(C[C@H]2[NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC000725001041 803829923 /nfs/dbraw/zinc/82/99/23/803829923.db2.gz MZWQLUGEKJSGRQ-AQFXKWCLSA-N 1 0 272.392 2.290 20 10 CECDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000722293763 804232984 /nfs/dbraw/zinc/23/29/84/804232984.db2.gz PTSAYXCNCRHSOO-CJNGLKHVSA-N 1 0 273.424 2.109 20 10 CECDRO COc1cccc(C[N@@H+]2CCCOC[C@@H]2C)c1O ZINC000398932021 804324043 /nfs/dbraw/zinc/32/40/43/804324043.db2.gz PGUDWCHXYUYXPG-NSHDSACASA-N 1 0 251.326 2.012 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCCN(CC)C2=O)c1O ZINC000722354296 804348557 /nfs/dbraw/zinc/34/85/57/804348557.db2.gz RIWFUGVCLCAUDQ-AWEZNQCLSA-N 1 0 276.380 2.055 20 10 CECDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000037126689 815012327 /nfs/dbraw/zinc/01/23/27/815012327.db2.gz IIXJBYKTXVYSRF-NWDGAFQWSA-N 1 0 264.369 2.300 20 10 CECDRO CC(C)(C)c1cccc(CN2CCC[NH2+]CC2)c1O ZINC001204667474 804384958 /nfs/dbraw/zinc/38/49/58/804384958.db2.gz LNMQSNGZIKUEHP-UHFFFAOYSA-N 1 0 262.397 2.485 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1O ZINC000894535959 805504617 /nfs/dbraw/zinc/50/46/17/805504617.db2.gz ZNUSSLAUEZZYJD-AWEZNQCLSA-N 1 0 279.380 2.302 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)cc1Cl ZINC001232266364 807238897 /nfs/dbraw/zinc/23/88/97/807238897.db2.gz LZDXNYWRVQSOEI-KOLCDFICSA-N 1 0 285.771 2.399 20 10 CECDRO C[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(N)cc1 ZINC001120269229 815209656 /nfs/dbraw/zinc/20/96/56/815209656.db2.gz OWAHGJDUGYCPDK-SECBINFHSA-N 1 0 262.275 2.326 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)[C@H]1C ZINC001203557102 808700826 /nfs/dbraw/zinc/70/08/26/808700826.db2.gz ZDAVMESMQFLTGP-WCQYABFASA-N 1 0 263.337 2.166 20 10 CECDRO Oc1ccc(C[NH2+][C@H]2Cc3cccc(F)c3C2)cc1O ZINC001171780580 815233962 /nfs/dbraw/zinc/23/39/62/815233962.db2.gz NCDFPNOBVUNXIZ-LBPRGKRZSA-N 1 0 273.307 2.494 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@H]1O ZINC001116448814 808815103 /nfs/dbraw/zinc/81/51/03/808815103.db2.gz GEHKPYBZOSLKRP-NVXWUHKLSA-N 1 0 274.408 2.490 20 10 CECDRO CC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)C[C@@H]1O ZINC001116448815 808815402 /nfs/dbraw/zinc/81/54/02/808815402.db2.gz GEHKPYBZOSLKRP-RDJZCZTQSA-N 1 0 274.408 2.490 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206157431 815312464 /nfs/dbraw/zinc/31/24/64/815312464.db2.gz YPFCEPUCAVHXBT-LSDHHAIUSA-N 1 0 265.376 2.014 20 10 CECDRO CC[C@H]([NH2+]Cc1c(O)cccc1Br)[C@H](C)O ZINC000706831397 809856646 /nfs/dbraw/zinc/85/66/46/809856646.db2.gz CKAVPEPDDAPNOQ-KWQFWETISA-N 1 0 288.185 2.404 20 10 CECDRO Oc1cccc(Br)c1C[NH2+]C[C@@H](O)C1CC1 ZINC000706863354 809858941 /nfs/dbraw/zinc/85/89/41/809858941.db2.gz FBBOGPKNPUCPRR-GFCCVEGCSA-N 1 0 286.169 2.015 20 10 CECDRO C[C@H]([NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1O ZINC001172164508 815327209 /nfs/dbraw/zinc/32/72/09/815327209.db2.gz BIDDXRQBMDGASI-RWMBFGLXSA-N 1 0 274.364 2.196 20 10 CECDRO CCc1cccc(C[NH2+]CC[C@@H](C)CCO)c1O ZINC000709418259 809961321 /nfs/dbraw/zinc/96/13/21/809961321.db2.gz QRJCFMZPCKZELI-GFCCVEGCSA-N 1 0 251.370 2.453 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)[C@H](C)O ZINC001118090651 810040713 /nfs/dbraw/zinc/04/07/13/810040713.db2.gz NHPFTURLSGYTCR-IHRRRGAJSA-N 1 0 264.413 2.351 20 10 CECDRO CCCC[N@H+](Cc1ccccc1O)[C@@H](CC)C(N)=O ZINC000282379712 810757306 /nfs/dbraw/zinc/75/73/06/810757306.db2.gz FXBYTITVXWUXGO-ZDUSSCGKSA-N 1 0 264.369 2.258 20 10 CECDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1cc(Br)ccc1O ZINC000379503407 811050980 /nfs/dbraw/zinc/05/09/80/811050980.db2.gz YJPVVQOTXFBZKE-VHSXEESVSA-N 1 0 299.212 2.337 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1O ZINC001168985350 811310861 /nfs/dbraw/zinc/31/08/61/811310861.db2.gz DNCNNQMPDXWBGE-DGCLKSJQSA-N 1 0 264.325 2.236 20 10 CECDRO Cc1ccc(C)n1-c1ccc(-n2nncc2C[NH3+])cc1 ZINC001169310479 811484935 /nfs/dbraw/zinc/48/49/35/811484935.db2.gz XJVXZTAZZUORBA-UHFFFAOYSA-N 1 0 267.336 2.134 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000691464450 811898949 /nfs/dbraw/zinc/89/89/49/811898949.db2.gz RCQJYNIZBRGBRL-IUODEOHRSA-N 1 0 263.337 2.058 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c1 ZINC000690393826 811972230 /nfs/dbraw/zinc/97/22/30/811972230.db2.gz QPKKQVNYLDTKJO-ZDUSSCGKSA-N 1 0 278.396 2.363 20 10 CECDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001172778320 815518236 /nfs/dbraw/zinc/51/82/36/815518236.db2.gz ULFWYGVNWNQFEY-OLZOCXBDSA-N 1 0 293.363 2.309 20 10 CECDRO Cc1nccn1CC[NH2+]Cc1c(O)cccc1Cl ZINC000385279894 813131909 /nfs/dbraw/zinc/13/19/09/813131909.db2.gz RSEIRWAFYNEFEA-UHFFFAOYSA-N 1 0 265.744 2.340 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H](C)O ZINC000386742855 813188485 /nfs/dbraw/zinc/18/84/85/813188485.db2.gz YVRSUHPZBSMSIU-KWQFWETISA-N 1 0 273.760 2.303 20 10 CECDRO COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000389101796 813247676 /nfs/dbraw/zinc/24/76/76/813247676.db2.gz OOIPZRBSHJLKJB-QWHCGFSZSA-N 1 0 267.369 2.403 20 10 CECDRO COCC[C@H](COC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000389172942 813248213 /nfs/dbraw/zinc/24/82/13/813248213.db2.gz LOCLEEBPWONXNI-OLZOCXBDSA-N 1 0 265.353 2.021 20 10 CECDRO COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000389101793 813248680 /nfs/dbraw/zinc/24/86/80/813248680.db2.gz OOIPZRBSHJLKJB-OLZOCXBDSA-N 1 0 267.369 2.403 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCC(F)(F)C1)OCO2 ZINC000389425002 813251272 /nfs/dbraw/zinc/25/12/72/813251272.db2.gz OMOMHLWFXNBQPK-SECBINFHSA-N 1 0 271.263 2.398 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCc2cnccn2)c(O)c1 ZINC000390105349 813259804 /nfs/dbraw/zinc/25/98/04/813259804.db2.gz ITQQEMZHCSOBIV-LBPRGKRZSA-N 1 0 257.337 2.384 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@]2(C)CCOC2)c1O ZINC000397119663 813600961 /nfs/dbraw/zinc/60/09/61/813600961.db2.gz LWNDKJUEUSJARC-HNNXBMFYSA-N 1 0 265.353 2.307 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CSC[C@@H]2C)c1 ZINC000397880777 813645371 /nfs/dbraw/zinc/64/53/71/813645371.db2.gz KGZYWSXCCOTDQN-CABZTGNLSA-N 1 0 253.367 2.242 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CS[C@H](C)C2)c1O ZINC000397976657 813650198 /nfs/dbraw/zinc/65/01/98/813650198.db2.gz PIJHWWZXFHOLGM-MWLCHTKSSA-N 1 0 253.367 2.384 20 10 CECDRO COc1cccc(C[NH2+]CCCOC(F)F)c1O ZINC000398147348 813658954 /nfs/dbraw/zinc/65/89/54/813658954.db2.gz YTRSASGOEFNPPB-UHFFFAOYSA-N 1 0 261.268 2.120 20 10 CECDRO CCOc1cccc(C[NH2+]CCOC(F)(F)F)c1O ZINC000398295220 813668039 /nfs/dbraw/zinc/66/80/39/813668039.db2.gz CJEFRJWUTNJTOH-UHFFFAOYSA-N 1 0 279.258 2.417 20 10 CECDRO CCOCC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144514675 814098247 /nfs/dbraw/zinc/09/82/47/814098247.db2.gz OMXCBEDBIZQIRE-UHFFFAOYSA-N 1 0 281.352 2.052 20 10 CECDRO Cn1nnc2cc(C[N@@H+]3CCc4cccc(O)c4C3)ccc21 ZINC001144643156 814144661 /nfs/dbraw/zinc/14/46/61/814144661.db2.gz DCVCASSZAJCMTH-UHFFFAOYSA-N 1 0 294.358 2.232 20 10 CECDRO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116438157 814852910 /nfs/dbraw/zinc/85/29/10/814852910.db2.gz FLMYYYHUIYXBOW-MRXNPFEDSA-N 1 0 287.407 2.127 20 10 CECDRO OC[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001116444508 814852961 /nfs/dbraw/zinc/85/29/61/814852961.db2.gz WVEGAIXKDCUVSU-HNNXBMFYSA-N 1 0 260.381 2.101 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@H](OC)C1 ZINC001116748884 814879736 /nfs/dbraw/zinc/87/97/36/814879736.db2.gz ZGOVNYLFVSEREP-QWRGUYRKSA-N 1 0 251.326 2.058 20 10 CECDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC001116771995 814882437 /nfs/dbraw/zinc/88/24/37/814882437.db2.gz XUXCIMFTQQNLNM-HUUCEWRRSA-N 1 0 276.380 2.184 20 10 CECDRO CCc1cccc(C[NH2+]Cc2ccc[nH]c2=O)c1O ZINC000714976041 814920015 /nfs/dbraw/zinc/92/00/15/814920015.db2.gz FBYMDXRNEJPKIO-UHFFFAOYSA-N 1 0 258.321 2.345 20 10 CECDRO CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)C1 ZINC001173261756 815642195 /nfs/dbraw/zinc/64/21/95/815642195.db2.gz VDWATKALLSPZJA-IFUGULHKSA-N 1 0 265.353 2.300 20 10 CECDRO CC[N@@H+]1CCN(Cc2c(O)cccc2F)C(C)(C)C1 ZINC001137841627 815694255 /nfs/dbraw/zinc/69/42/55/815694255.db2.gz MZTQFMFMHFYERN-UHFFFAOYSA-N 1 0 266.360 2.447 20 10 CECDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138354296 815773197 /nfs/dbraw/zinc/77/31/97/815773197.db2.gz DGNZLIPGSNQGPP-CZUORRHYSA-N 1 0 274.408 2.414 20 10 CECDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001173634987 815774077 /nfs/dbraw/zinc/77/40/77/815774077.db2.gz HYMPKCVAACGLBB-YPMHNXCESA-N 1 0 293.363 2.309 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CC[C@H](O)[C@@H](F)CC3)ccc21 ZINC001138354981 815774670 /nfs/dbraw/zinc/77/46/70/815774670.db2.gz XLFJTAWNWAWRNN-RDJZCZTQSA-N 1 0 292.398 2.364 20 10 CECDRO CN1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)CCCN3C)C1 ZINC001138358486 815775094 /nfs/dbraw/zinc/77/50/94/815775094.db2.gz TZDFHZFKEKIRFC-MRXNPFEDSA-N 1 0 273.424 2.205 20 10 CECDRO CN1CCCc2cc(C[NH+]3CCC(C)(O)CC3)ccc21 ZINC001138354961 815775495 /nfs/dbraw/zinc/77/54/95/815775495.db2.gz WWZRVDLHKNJMPM-UHFFFAOYSA-N 1 0 274.408 2.416 20 10 CECDRO COc1cc(CN2CCC[C@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139257173 815996928 /nfs/dbraw/zinc/99/69/28/815996928.db2.gz UICPIGWUNRXMCP-AWEZNQCLSA-N 1 0 296.386 2.396 20 10 CECDRO CCS(=O)(=O)c1ccc(O)c(Nc2cc[nH+]c(C)c2)c1 ZINC001174655014 816068264 /nfs/dbraw/zinc/06/82/64/816068264.db2.gz STRBZSLKDPSYLW-UHFFFAOYSA-N 1 0 292.360 2.055 20 10 CECDRO CC(=O)Nc1ccc(O)c(Nc2cc[nH+]c(C)c2)c1 ZINC001174660546 816070433 /nfs/dbraw/zinc/07/04/33/816070433.db2.gz PCPYLDHJAKYWLI-UHFFFAOYSA-N 1 0 257.293 2.220 20 10 CECDRO CC[NH+](CC)C[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC001140055940 816178661 /nfs/dbraw/zinc/17/86/61/816178661.db2.gz BEDPIVARYQATHS-HNNXBMFYSA-N 1 0 296.386 2.074 20 10 CECDRO Oc1cccc(Br)c1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001140101264 816189750 /nfs/dbraw/zinc/18/97/50/816189750.db2.gz NQNTXOAUSGFJQO-TVQRCGJNSA-N 1 0 298.180 2.375 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCC3(CNC(=O)C3)CC2)c1O ZINC001140178747 816203888 /nfs/dbraw/zinc/20/38/88/816203888.db2.gz WLNRCAADSNLWOV-UHFFFAOYSA-N 1 0 288.391 2.111 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)c1O ZINC001140178665 816204292 /nfs/dbraw/zinc/20/42/92/816204292.db2.gz TWRLUSYFIKNTLO-DZGCQCFKSA-N 1 0 267.344 2.304 20 10 CECDRO OC1CCN(c2ccc(C[NH+]3CC4CC(C4)C3)cc2)CC1 ZINC001140286759 816226128 /nfs/dbraw/zinc/22/61/28/816226128.db2.gz DMPOOUIXDGQRBK-UHFFFAOYSA-N 1 0 286.419 2.490 20 10 CECDRO Oc1cc(Cl)ccc1C[N@H+]1CCCC[C@H](O)C1 ZINC001140462917 816260520 /nfs/dbraw/zinc/26/05/20/816260520.db2.gz OCHGIHIMQQOFTJ-LBPRGKRZSA-N 1 0 255.745 2.392 20 10 CECDRO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001140463213 816261187 /nfs/dbraw/zinc/26/11/87/816261187.db2.gz WABRUTMMRIVQKL-NWDGAFQWSA-N 1 0 273.735 2.340 20 10 CECDRO COC(=O)C1(C)CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140621371 816306348 /nfs/dbraw/zinc/30/63/48/816306348.db2.gz ZPSBBEQSYACNJR-UHFFFAOYSA-N 1 0 277.364 2.476 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)c1 ZINC001140623770 816306746 /nfs/dbraw/zinc/30/67/46/816306746.db2.gz QRJMNBCNKFCQAD-UKRRQHHQSA-N 1 0 260.381 2.227 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)c1O ZINC001140742015 816338479 /nfs/dbraw/zinc/33/84/79/816338479.db2.gz HFLOAAZCDCDYLE-SNVBAGLBSA-N 1 0 263.337 2.207 20 10 CECDRO CC[N@H+](Cc1ccc(O)c(C)c1O)C1CCOCC1 ZINC001140746003 816341830 /nfs/dbraw/zinc/34/18/30/816341830.db2.gz SBBXDQOBZHBBSY-UHFFFAOYSA-N 1 0 265.353 2.407 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1O ZINC001140747749 816342052 /nfs/dbraw/zinc/34/20/52/816342052.db2.gz LECFDRJNPFLSGB-CYBMUJFWSA-N 1 0 263.337 2.017 20 10 CECDRO 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CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)cc1 ZINC000268899180 372278102 /nfs/dbraw/zinc/27/81/02/372278102.db2.gz ZPUMCZSUWPLJEP-JSGCOSHPSA-N 1 0 275.396 2.024 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000365938506 372960372 /nfs/dbraw/zinc/96/03/72/372960372.db2.gz WPKCAPPZNMOKLJ-BLLLJJGKSA-N 1 0 277.364 2.402 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](O)C(F)(F)F ZINC000270966520 373037905 /nfs/dbraw/zinc/03/79/05/373037905.db2.gz ILMXHBLJAMGBIY-AAEUAGOBSA-N 1 0 289.297 2.413 20 10 CECDRO C[N@H+](CCO)Cc1cc(-c2ccccc2)ccc1O ZINC000271030348 373079078 /nfs/dbraw/zinc/07/90/78/373079078.db2.gz XZCLJWDJTDZYPN-UHFFFAOYSA-N 1 0 257.333 2.483 20 10 CECDRO c1cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc2c1OCC2 ZINC000367423999 373151790 /nfs/dbraw/zinc/15/17/90/373151790.db2.gz YFRGQFXHTSSFBZ-NVXWUHKLSA-N 1 0 289.375 2.049 20 10 CECDRO COC(=O)[C@@]1(F)CCN(Cc2c(O)cccc2Cl)C1 ZINC000271195883 373175206 /nfs/dbraw/zinc/17/52/06/373175206.db2.gz HKPXJEPOXSWXMA-CYBMUJFWSA-N 1 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Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)c(O)c1 ZINC000294838142 378022190 /nfs/dbraw/zinc/02/21/90/378022190.db2.gz RPPYVHGYCOUOIA-BBRMVZONSA-N 1 0 293.407 2.447 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)c(O)c1 ZINC000294838145 378022681 /nfs/dbraw/zinc/02/26/81/378022681.db2.gz RPPYVHGYCOUOIA-CJNGLKHVSA-N 1 0 293.407 2.447 20 10 CECDRO CCn1ccnc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296452880 378537014 /nfs/dbraw/zinc/53/70/14/378537014.db2.gz MVXNVKILYRJTJG-LBPRGKRZSA-N 1 0 257.337 2.386 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)[C@H]1SC ZINC000298229939 378695954 /nfs/dbraw/zinc/69/59/54/378695954.db2.gz BFEQGBFOIFCXHF-IACUBPJLSA-N 1 0 267.394 2.391 20 10 CECDRO CC(C)[N@H+](CC(=O)NC1CC1)Cc1ccc(N(C)C)cc1 ZINC000298688519 378801077 /nfs/dbraw/zinc/80/10/77/378801077.db2.gz CEIFSOSBTFGIJQ-UHFFFAOYSA-N 1 0 289.423 2.242 20 10 CECDRO CC[C@H]([NH2+]CC(C)(C)C(=O)NC)c1ccccc1O ZINC000185214231 262302475 /nfs/dbraw/zinc/30/24/75/262302475.db2.gz OMPOOZVQDMZWLC-LBPRGKRZSA-N 1 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/nfs/dbraw/zinc/97/96/13/394979613.db2.gz LOZWOGXCEDREFR-CYBMUJFWSA-N 1 0 287.363 2.124 20 10 CECDRO CC[C@H]1C[N@H+](Cc2ccccc2O)C[C@@]2(CCOC2)O1 ZINC000373483713 395062103 /nfs/dbraw/zinc/06/21/03/395062103.db2.gz VUEYXNMJDVPQFJ-GOEBONIOSA-N 1 0 277.364 2.162 20 10 CECDRO CC[C@H](C)NC(=[NH2+])NCc1ccc2c(c1)CCN2C ZINC000373600756 395063928 /nfs/dbraw/zinc/06/39/28/395063928.db2.gz GJOYTEXVEFAPNN-NSHDSACASA-N 1 0 260.385 2.091 20 10 CECDRO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccccc1O ZINC000289740639 395085634 /nfs/dbraw/zinc/08/56/34/395085634.db2.gz QCYHBWOHOAYDMP-ZFWWWQNUSA-N 1 0 260.381 2.451 20 10 CECDRO C[C@H]1CN(Cc2cc(Cl)ccc2O)CC[S@@](=O)C1 ZINC000375950185 395105928 /nfs/dbraw/zinc/10/59/28/395105928.db2.gz ZWZBSUYJWDCDMM-XTZNXHDOSA-N 1 0 287.812 2.246 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@]2(O)CCC[C@H]2C)cc1OC ZINC000293828749 395252002 /nfs/dbraw/zinc/25/20/02/395252002.db2.gz AMQGYGXFXQGBIQ-BZNIZROVSA-N 1 0 295.379 2.050 20 10 CECDRO Cc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC(C)C)c1O ZINC000188922725 395322101 /nfs/dbraw/zinc/32/21/01/395322101.db2.gz OEFRNZJXVUTMSC-CQSZACIVSA-N 1 0 276.380 2.047 20 10 CECDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)CN1CCOCC1 ZINC000183522681 395258861 /nfs/dbraw/zinc/25/88/61/395258861.db2.gz PFXKCNJYRUBJLJ-KBPBESRZSA-N 1 0 278.396 2.011 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](O)CC2)c1O ZINC000293999740 395261347 /nfs/dbraw/zinc/26/13/47/395261347.db2.gz MENXVLHOIRDAGH-ZDUSSCGKSA-N 1 0 265.353 2.138 20 10 CECDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000193439817 395408076 /nfs/dbraw/zinc/40/80/76/395408076.db2.gz NFULROIQMQAFPB-BBRMVZONSA-N 1 0 262.397 2.488 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000529682973 395431609 /nfs/dbraw/zinc/43/16/09/395431609.db2.gz YCNUJHNQUGVKMR-BIENJYKASA-N 1 0 279.405 2.186 20 10 CECDRO OCCN(Cc1cccc2c1CC[NH2+]C2)c1ccccc1 ZINC000662249438 415710551 /nfs/dbraw/zinc/71/05/51/415710551.db2.gz NQSQGEZDKJPMCR-UHFFFAOYSA-N 1 0 282.387 2.331 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(N2CCOCC2)cc1 ZINC000153088529 261073026 /nfs/dbraw/zinc/07/30/26/261073026.db2.gz HGVYOCIHPALRCV-HUUCEWRRSA-N 1 0 290.407 2.210 20 10 CECDRO C[NH+](C)[C@H]1CCCN(Cc2cccc(F)c2O)C1 ZINC000160247257 261209383 /nfs/dbraw/zinc/20/93/83/261209383.db2.gz GUUOXRFPCNYWRI-LBPRGKRZSA-N 1 0 252.333 2.057 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCCOC1 ZINC000163932970 261334669 /nfs/dbraw/zinc/33/46/69/261334669.db2.gz NURIXGRAEFCVIW-NSHDSACASA-N 1 0 286.169 2.423 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000166458837 261389931 /nfs/dbraw/zinc/38/99/31/261389931.db2.gz ZENKZZNWBJGFJI-CHWSQXEVSA-N 1 0 293.386 2.025 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000166458944 261390050 /nfs/dbraw/zinc/39/00/50/261390050.db2.gz ZENKZZNWBJGFJI-QWHCGFSZSA-N 1 0 293.386 2.025 20 10 CECDRO CCCNC(=O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000184881886 262032278 /nfs/dbraw/zinc/03/22/78/262032278.db2.gz KGLFZWVBQMHLSE-GFCCVEGCSA-N 1 0 290.407 2.448 20 10 CECDRO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1cc(F)ccc1O ZINC000184917431 262033267 /nfs/dbraw/zinc/03/32/67/262033267.db2.gz IYEXQCBQQAEULH-JTQLQIEISA-N 1 0 292.310 2.205 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)c(O)c1 ZINC000185450016 262054808 /nfs/dbraw/zinc/05/48/08/262054808.db2.gz ZSGJQMWLYODEHG-CQSZACIVSA-N 1 0 292.423 2.462 20 10 CECDRO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186029817 262076144 /nfs/dbraw/zinc/07/61/44/262076144.db2.gz ZMOCEMRNESHUQO-VXGBXAGGSA-N 1 0 285.409 2.174 20 10 CECDRO C[C@@H]([NH2+]CCCOCCO)c1cc2c(cc1O)CCCC2 ZINC000186514370 262096315 /nfs/dbraw/zinc/09/63/15/262096315.db2.gz XQNKZLGJGJBFDG-CYBMUJFWSA-N 1 0 293.407 2.321 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(C)cc1O ZINC000279949800 263058507 /nfs/dbraw/zinc/05/85/07/263058507.db2.gz BQHMZDCXHXRNLQ-OCCSQVGLSA-N 1 0 276.380 2.362 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCOCC2)c(O)c1 ZINC000293829005 263150588 /nfs/dbraw/zinc/15/05/88/263150588.db2.gz SHUQZICHBSWBSP-OAHLLOKOSA-N 1 0 292.423 2.382 20 10 CECDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297944508 263212502 /nfs/dbraw/zinc/21/25/02/263212502.db2.gz YIKIVNRQKBWCEV-BNOWGMLFSA-N 1 0 277.364 2.163 20 10 CECDRO COc1cccc([C@H](O)C[NH2+]Cc2ccccc2O)c1 ZINC000134521945 264512112 /nfs/dbraw/zinc/51/21/12/264512112.db2.gz BCPHWVBLRISSPF-MRXNPFEDSA-N 1 0 273.332 2.224 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367699283 267110911 /nfs/dbraw/zinc/11/09/11/267110911.db2.gz HMFADFIMMOOZPG-AAEUAGOBSA-N 1 0 262.353 2.041 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000368443161 267173002 /nfs/dbraw/zinc/17/30/02/267173002.db2.gz SFENKAXIXBOBJV-LBPRGKRZSA-N 1 0 277.364 2.259 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000368888334 267211671 /nfs/dbraw/zinc/21/16/71/267211671.db2.gz LUIBIFNTTNMVJG-MRXNPFEDSA-N 1 0 277.364 2.402 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2O)CC12CCC2 ZINC000369645186 267256925 /nfs/dbraw/zinc/25/69/25/267256925.db2.gz AVXLOFPVONSMIU-CQSZACIVSA-N 1 0 289.375 2.476 20 10 CECDRO CC(C)(C)N1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC1=O ZINC000296275279 277158306 /nfs/dbraw/zinc/15/83/06/277158306.db2.gz CARHCBOTSOTCSF-QWHCGFSZSA-N 1 0 288.391 2.369 20 10 CECDRO COCCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000151664895 277498982 /nfs/dbraw/zinc/49/89/82/277498982.db2.gz SQRGEYKZDHAVQR-UHFFFAOYSA-N 1 0 278.396 2.290 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1O ZINC000290814707 278012441 /nfs/dbraw/zinc/01/24/41/278012441.db2.gz GKIMURTYVZKWTJ-HNNXBMFYSA-N 1 0 279.380 2.288 20 10 CECDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296666491 289503299 /nfs/dbraw/zinc/50/32/99/289503299.db2.gz FPJAABBICDOWBD-QAMHXRKUSA-N 1 0 267.394 2.126 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc1F ZINC000270452015 328193321 /nfs/dbraw/zinc/19/33/21/328193321.db2.gz CMURTLLMWWUWRH-LBPRGKRZSA-N 1 0 294.292 2.295 20 10 CECDRO CN(C)C(=O)c1ccc(C[N@H+](C)Cc2ccccc2O)[nH]1 ZINC000091956610 327188156 /nfs/dbraw/zinc/18/81/56/327188156.db2.gz SYTXEKMYUQZZET-UHFFFAOYSA-N 1 0 287.363 2.054 20 10 CECDRO Cc1cccc(C[NH2+]CC2([S@](C)=O)CCC2)c1O ZINC000281873173 327609103 /nfs/dbraw/zinc/60/91/03/327609103.db2.gz UVQTWUAKJKKZTH-SFHVURJKSA-N 1 0 267.394 2.091 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc1F ZINC000378516641 329053908 /nfs/dbraw/zinc/05/39/08/329053908.db2.gz LVUVARXYFGRCHF-PBHICJAKSA-N 1 0 291.414 2.418 20 10 CECDRO COC[C@@H](C)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000378535378 329054288 /nfs/dbraw/zinc/05/42/88/329054288.db2.gz AJOIPUDLZMCBFN-CYBMUJFWSA-N 1 0 260.381 2.487 20 10 CECDRO CO[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000378628097 329057019 /nfs/dbraw/zinc/05/70/19/329057019.db2.gz CFNBYYPGXZNZAI-LBPRGKRZSA-N 1 0 279.336 2.122 20 10 CECDRO COc1cccc(C[NH2+][C@@]2(CO)CCc3ccccc32)c1O ZINC000135910261 329669163 /nfs/dbraw/zinc/66/91/63/329669163.db2.gz HJNWXXLIIMQERX-GOSISDBHSA-N 1 0 299.370 2.324 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@]2(C)OCC)c(O)c1 ZINC000527782991 330283207 /nfs/dbraw/zinc/28/32/07/330283207.db2.gz DJTIMXOLUWWJNN-CABCVRRESA-N 1 0 265.353 2.448 20 10 CECDRO C[C@@H]([NH2+]CC12CC(C1)CO2)c1cc(F)ccc1O ZINC000527984123 330298592 /nfs/dbraw/zinc/29/85/92/330298592.db2.gz WNCNBIHQOATKBZ-NAUIOFCNSA-N 1 0 251.301 2.361 20 10 CECDRO COc1cccc(C[NH2+]CCCCCCO)c1O ZINC000083396283 330357737 /nfs/dbraw/zinc/35/77/37/330357737.db2.gz QLKYYUKYKGTMNX-UHFFFAOYSA-N 1 0 253.342 2.043 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)C(C)C)c1 ZINC000230664179 333320029 /nfs/dbraw/zinc/32/00/29/333320029.db2.gz NLTIHQNIFIVZBM-RISCZKNCSA-N 1 0 267.369 2.458 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC[C@H](C)CO)c1 ZINC000230669730 333320237 /nfs/dbraw/zinc/32/02/37/333320237.db2.gz FCCDDBYQABVROY-NWDGAFQWSA-N 1 0 267.369 2.460 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000252445848 334380345 /nfs/dbraw/zinc/38/03/45/334380345.db2.gz HDWRBWKRONVASR-YUELXQCFSA-N 1 0 288.391 2.271 20 10 CECDRO CCCCOCC[NH2+]Cc1cccc(OC)c1O ZINC000040506247 520783015 /nfs/dbraw/zinc/78/30/15/520783015.db2.gz IYZXOZHMYOKRCD-UHFFFAOYSA-N 1 0 253.342 2.307 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC[C@H](C)OC)c1 ZINC000263844103 521152606 /nfs/dbraw/zinc/15/26/06/521152606.db2.gz ZGYNEWUOZHLULQ-NSHDSACASA-N 1 0 253.342 2.306 20 10 CECDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(F)ccc1O ZINC000290551225 519217431 /nfs/dbraw/zinc/21/74/31/519217431.db2.gz RUTWCPZXOFXQMW-ZDUSSCGKSA-N 1 0 255.333 2.370 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC2(N(C)C)CCC2)c1 ZINC000275551527 521152867 /nfs/dbraw/zinc/15/28/67/521152867.db2.gz CCHHDZDHJSIHJE-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000283068939 521222600 /nfs/dbraw/zinc/22/26/00/521222600.db2.gz JXUCXVCVBKRJCT-CHWSQXEVSA-N 1 0 278.396 2.430 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H](CC)CCO)c1O ZINC000094948290 521365080 /nfs/dbraw/zinc/36/50/80/521365080.db2.gz AVCVRXIZMRJZFH-LBPRGKRZSA-N 1 0 267.369 2.289 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CN(C)C1CC1 ZINC000290066068 521689571 /nfs/dbraw/zinc/68/95/71/521689571.db2.gz TVDSVLDHLBJKKZ-INIZCTEOSA-N 1 0 292.423 2.059 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CN(C)C1CC1 ZINC000290066072 521689801 /nfs/dbraw/zinc/68/98/01/521689801.db2.gz TVDSVLDHLBJKKZ-MRXNPFEDSA-N 1 0 292.423 2.059 20 10 CECDRO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296249752 521732910 /nfs/dbraw/zinc/73/29/10/521732910.db2.gz BDFWVIIPJSKKRV-GFCCVEGCSA-N 1 0 276.380 2.131 20 10 CECDRO C[NH+](C)CC[C@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)C ZINC000236986498 521811726 /nfs/dbraw/zinc/81/17/26/521811726.db2.gz NHHSEVBXNZSYPK-HNNXBMFYSA-N 1 0 291.439 2.294 20 10 CECDRO COc1cc(Cl)cc(C[NH+]2CC(C(C)(C)O)C2)c1O ZINC000297475923 522538408 /nfs/dbraw/zinc/53/84/08/522538408.db2.gz SZBOVKSAXWFKGF-UHFFFAOYSA-N 1 0 285.771 2.257 20 10 CECDRO CC[C@@H]([NH2+][C@H](CCO)COC)c1ccc(C)cc1O ZINC000280018457 522943635 /nfs/dbraw/zinc/94/36/35/522943635.db2.gz HECPOCHVENVTDQ-TZMCWYRMSA-N 1 0 267.369 2.139 20 10 CECDRO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1([NH3+])CC1 ZINC000088130905 523261214 /nfs/dbraw/zinc/26/12/14/523261214.db2.gz GCHVNEMDSLOISK-UHFFFAOYSA-N 1 0 287.407 2.127 20 10 CECDRO COCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264760743 523262703 /nfs/dbraw/zinc/26/27/03/523262703.db2.gz YREKJQKZGQPARF-OAHLLOKOSA-N 1 0 279.380 2.410 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000063218420 524753651 /nfs/dbraw/zinc/75/36/51/524753651.db2.gz YMCSHWQDFYPPSC-OAHLLOKOSA-N 1 0 287.359 2.094 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCN2CC=CCC2)c1 ZINC000280972455 524769681 /nfs/dbraw/zinc/76/96/81/524769681.db2.gz LKUFESRJCBAWOD-ZDUSSCGKSA-N 1 0 276.380 2.313 20 10 CECDRO COc1ccncc1C[NH2+]Cc1cccc(OC)c1O ZINC000292784311 524857078 /nfs/dbraw/zinc/85/70/78/524857078.db2.gz UMQAFVHEMHIEID-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)CN2CCOCC2)cc1C ZINC000278616969 525314074 /nfs/dbraw/zinc/31/40/74/525314074.db2.gz DTHFSPGDEZQGGJ-OAHLLOKOSA-N 1 0 292.423 2.162 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000285573325 525353035 /nfs/dbraw/zinc/35/30/35/525353035.db2.gz UNNJBRQIFURYBV-CZUORRHYSA-N 1 0 290.407 2.484 20 10 CECDRO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1ccccc1O ZINC000289925659 525666186 /nfs/dbraw/zinc/66/61/86/525666186.db2.gz WAPAWFKKSZUNND-HIFRSBDPSA-N 1 0 260.381 2.451 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)c(O)c1C ZINC000280975241 525925322 /nfs/dbraw/zinc/92/53/22/525925322.db2.gz VUFYSOYOOUCCGM-SOUVJXGZSA-N 1 0 293.407 2.305 20 10 CECDRO COc1cccc(C[NH2+]Cc2cccnc2OC)c1O ZINC000037650473 526026338 /nfs/dbraw/zinc/02/63/38/526026338.db2.gz CKZBJZBYAGHMRT-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO Cc1cc(Br)cc(C[N@@H+](C)[C@@H](C)CO)c1O ZINC000289494196 526156605 /nfs/dbraw/zinc/15/66/05/526156605.db2.gz SBKLEVQOEOVIBR-VIFPVBQESA-N 1 0 288.185 2.276 20 10 CECDRO Cc1cc(C(=O)NCCC[NH3+])c(C)n1-c1ccccc1C ZINC000237725399 526266520 /nfs/dbraw/zinc/26/65/20/526266520.db2.gz NUJIWCGVMGDJJJ-UHFFFAOYSA-N 1 0 285.391 2.481 20 10 CECDRO Cc1nnsc1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000291790639 526447382 /nfs/dbraw/zinc/44/73/82/526447382.db2.gz WBNJHCSFSCIPQV-UHFFFAOYSA-N 1 0 262.382 2.202 20 10 CECDRO Cc1nccnc1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297475495 527452193 /nfs/dbraw/zinc/45/21/93/527452193.db2.gz YVEQPZJMRLXMHO-AWEZNQCLSA-N 1 0 269.348 2.310 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000729681230 574490788 /nfs/dbraw/zinc/49/07/88/574490788.db2.gz KKHQJVPSAKZPGK-GFCCVEGCSA-N 1 0 289.379 2.332 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000760884212 574518145 /nfs/dbraw/zinc/51/81/45/574518145.db2.gz FIXNYMICFTWSDV-UXIGCNINSA-N 1 0 265.353 2.237 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)Cc2cnccn2)c1 ZINC000733326020 574664204 /nfs/dbraw/zinc/66/42/04/574664204.db2.gz DGDKMKCWISLPJE-LBPRGKRZSA-N 1 0 257.337 2.211 20 10 CECDRO CCOCc1cc(C[NH2+][C@H](C)C(C)(C)O)ccc1OC ZINC000734841394 574731284 /nfs/dbraw/zinc/73/12/84/574731284.db2.gz NMNLPQBFGILVDT-GFCCVEGCSA-N 1 0 281.396 2.481 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2cnn(CC)c2)c(O)c1 ZINC000735676045 574764074 /nfs/dbraw/zinc/76/40/74/574764074.db2.gz DWSMLERODHPEFL-UHFFFAOYSA-N 1 0 275.352 2.297 20 10 CECDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000741139158 574977042 /nfs/dbraw/zinc/97/70/42/574977042.db2.gz DBBUXIZVWUKJQU-ZIAGYGMSSA-N 1 0 289.423 2.242 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCC(=O)OC(C)(C)C ZINC000742372537 575018179 /nfs/dbraw/zinc/01/81/79/575018179.db2.gz PFALPNYPYKHYNH-UHFFFAOYSA-N 1 0 281.352 2.222 20 10 CECDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000742724488 575031433 /nfs/dbraw/zinc/03/14/33/575031433.db2.gz SBFIBSJNQBWZTO-CYBMUJFWSA-N 1 0 270.380 2.263 20 10 CECDRO CCOc1cccc(C[NH2+]CCN2CC[C@H](C)C2)c1O ZINC000744450347 575121672 /nfs/dbraw/zinc/12/16/72/575121672.db2.gz RYFWBMCPJDUIHJ-ZDUSSCGKSA-N 1 0 278.396 2.222 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](OC)C2)c(O)c1 ZINC000746756651 575163988 /nfs/dbraw/zinc/16/39/88/575163988.db2.gz VPULBTSBUXGATC-QWHCGFSZSA-N 1 0 265.353 2.448 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]C1CSC1 ZINC000306635182 622712829 /nfs/dbraw/zinc/71/28/29/622712829.db2.gz YPUQSVXEODDEID-UHFFFAOYSA-N 1 0 274.183 2.360 20 10 CECDRO C[C@@H](NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1O ZINC000892090615 624310377 /nfs/dbraw/zinc/31/03/77/624310377.db2.gz WZAODFGDGQJJJL-GRYCIOLGSA-N 1 0 277.368 2.022 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892578780 627286920 /nfs/dbraw/zinc/28/69/20/627286920.db2.gz WIFZKEXWNKGCHO-MQMHXKEQSA-N 1 0 291.395 2.051 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H]1C ZINC000294199049 627878096 /nfs/dbraw/zinc/87/80/96/627878096.db2.gz RIRNORBMIIAXHC-UKRRQHHQSA-N 1 0 290.407 2.302 20 10 CECDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893074144 627981292 /nfs/dbraw/zinc/98/12/92/627981292.db2.gz KXWPMOAMNMHWBO-YPMHNXCESA-N 1 0 297.395 2.296 20 10 CECDRO C[C@](O)(C[NH2+]Cc1cc(F)ccc1O)c1ccco1 ZINC000180823067 628094883 /nfs/dbraw/zinc/09/48/83/628094883.db2.gz ZZEGWMRDDXKXJN-AWEZNQCLSA-N 1 0 265.284 2.122 20 10 CECDRO CCOc1cccc(C[NH+]2CCC(C)(CO)CC2)c1O ZINC000184071240 628199104 /nfs/dbraw/zinc/19/91/04/628199104.db2.gz DXYPJULFZDUHDG-UHFFFAOYSA-N 1 0 279.380 2.385 20 10 CECDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1ccc(N(C)C)cc1 ZINC000931041062 628340873 /nfs/dbraw/zinc/34/08/73/628340873.db2.gz GILQFVXMMBUDJS-CZUORRHYSA-N 1 0 261.413 2.277 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000840917100 628487443 /nfs/dbraw/zinc/48/74/43/628487443.db2.gz FFTHZALNLPNPBG-KRWDZBQOSA-N 1 0 292.423 2.034 20 10 CECDRO CCC1([NH2+]Cc2ccc(OC)c(OC)c2O)CCOCC1 ZINC000893387548 628547000 /nfs/dbraw/zinc/54/70/00/628547000.db2.gz FSDHNKVBWONFJZ-UHFFFAOYSA-N 1 0 295.379 2.458 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccccc1O ZINC000931556484 628695305 /nfs/dbraw/zinc/69/53/05/628695305.db2.gz DCLBBHMUNZLGDC-STQMWFEESA-N 1 0 279.380 2.099 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCC(=O)N(C)C ZINC000840932035 628749275 /nfs/dbraw/zinc/74/92/75/628749275.db2.gz BVTQLPUSVMIJGQ-UHFFFAOYSA-N 1 0 277.412 2.019 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@H]([NH+](C)C)[C@@H]2C)c1O ZINC000314399511 628751465 /nfs/dbraw/zinc/75/14/65/628751465.db2.gz XASFWSBKQGRZTI-BONVTDFDSA-N 1 0 294.370 2.258 20 10 CECDRO COc1ccc(N(C)C[C@@H]2CCC[NH2+]C2)cc1F ZINC000259124589 628792732 /nfs/dbraw/zinc/79/27/32/628792732.db2.gz WCJLIGVRHJJPLS-LLVKDONJSA-N 1 0 252.333 2.270 20 10 CECDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840949950 628844920 /nfs/dbraw/zinc/84/49/20/628844920.db2.gz DEIVAEOBTKNVSL-WBVHZDCISA-N 1 0 292.423 2.202 20 10 CECDRO C[C@@H](CC(=O)Nc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC000237596682 628985232 /nfs/dbraw/zinc/98/52/32/628985232.db2.gz FKDRRVDWCAYFNR-RYUDHWBXSA-N 1 0 261.369 2.233 20 10 CECDRO [NH3+]Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)o1 ZINC000178710708 629133663 /nfs/dbraw/zinc/13/36/63/629133663.db2.gz PMRWJQJOVUNIAM-UHFFFAOYSA-N 1 0 299.374 2.269 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@]2(C)CCOC2)c1O ZINC000894260494 629272809 /nfs/dbraw/zinc/27/28/09/629272809.db2.gz MMDSKVNODQTQFU-HNNXBMFYSA-N 1 0 265.353 2.225 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(C)cc1O ZINC000794800018 629323427 /nfs/dbraw/zinc/32/34/27/629323427.db2.gz BFEMEYPHCDPTPZ-KGLIPLIRSA-N 1 0 276.380 2.362 20 10 CECDRO CC1=C(C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000794878379 629344987 /nfs/dbraw/zinc/34/49/87/629344987.db2.gz CQRHWGAWGKHNOQ-HNNXBMFYSA-N 1 0 275.348 2.360 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@]2(C)CCCOC2)c1O ZINC000894416000 629447720 /nfs/dbraw/zinc/44/77/20/629447720.db2.gz OWYQSTXYBSTGQP-OAHLLOKOSA-N 1 0 265.353 2.368 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H]2CCC=CO2)c1O ZINC000894530740 629514859 /nfs/dbraw/zinc/51/48/59/629514859.db2.gz MAZZTXCBSPAWPO-CYBMUJFWSA-N 1 0 263.337 2.492 20 10 CECDRO CCC[C@@H](C[NH2+]Cc1ccc(OC)c(OC)c1O)OC ZINC000894664608 629579203 /nfs/dbraw/zinc/57/92/03/629579203.db2.gz VDUGNCPAOKATBC-LBPRGKRZSA-N 1 0 283.368 2.314 20 10 CECDRO COc1ccc(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)c(O)c1OC ZINC000894716737 629608295 /nfs/dbraw/zinc/60/82/95/629608295.db2.gz BDUWRMMCUWBIIL-AAEUAGOBSA-N 1 0 295.379 2.266 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](C)[C@@H](C)OC)c1O ZINC000894796307 629644693 /nfs/dbraw/zinc/64/46/93/629644693.db2.gz ZSVRAGJLHUOGCA-GHMZBOCLSA-N 1 0 253.342 2.222 20 10 CECDRO COCCC1(C)C[NH+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000894838913 629677400 /nfs/dbraw/zinc/67/74/00/629677400.db2.gz FLCOCGXEADGJEK-UHFFFAOYSA-N 1 0 295.379 2.268 20 10 CECDRO COc1cc(C)cc(C[N@@H+](C)[C@@H]2CC[C@@H]2OC)c1O ZINC000902635846 634756127 /nfs/dbraw/zinc/75/61/27/634756127.db2.gz CKQXIVCMGSVEFT-OLZOCXBDSA-N 1 0 265.353 2.318 20 10 CECDRO CC1=NO[C@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000895311044 630099909 /nfs/dbraw/zinc/09/99/09/630099909.db2.gz NJJHKSZTYDVHDT-NSHDSACASA-N 1 0 254.717 2.300 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000895390934 630160507 /nfs/dbraw/zinc/16/05/07/630160507.db2.gz QMKBBUWIQUXLLL-CYBMUJFWSA-N 1 0 291.347 2.061 20 10 CECDRO COc1ccc(C[NH2+]Cc2cccnc2C)c(O)c1OC ZINC000895618682 630275004 /nfs/dbraw/zinc/27/50/04/630275004.db2.gz NAVPIAXLWGVKIH-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO CCc1cccc(C[NH+]2CCC3(CC2)COCCO3)c1O ZINC000895697627 630309451 /nfs/dbraw/zinc/30/94/51/630309451.db2.gz RYZJFGUCLBJHEH-UHFFFAOYSA-N 1 0 291.391 2.336 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CCCn3nncc3C2)cc1 ZINC000895757695 630333766 /nfs/dbraw/zinc/33/37/66/630333766.db2.gz WCNZGGNBOVCHQX-HWKANZROSA-N 1 0 297.406 2.263 20 10 CECDRO COC(OC)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000895790568 630346261 /nfs/dbraw/zinc/34/62/61/630346261.db2.gz SCVFFFYZPJJBEQ-GFCCVEGCSA-N 1 0 266.385 2.158 20 10 CECDRO COc1cc(O)c(C[NH2+]CC[C@H]2CCCO2)cc1OC ZINC000895807405 630356594 /nfs/dbraw/zinc/35/65/94/630356594.db2.gz UGZGWWUZOWUWMM-GFCCVEGCSA-N 1 0 281.352 2.068 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)c1 ZINC000895835821 630371807 /nfs/dbraw/zinc/37/18/07/630371807.db2.gz FOPCCWXDXLJBLE-ZDUSSCGKSA-N 1 0 289.297 2.447 20 10 CECDRO CC1(C)CC[C@@H](CO)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000895926116 630406003 /nfs/dbraw/zinc/40/60/03/630406003.db2.gz WIPKGIAAGHCFOO-LBPRGKRZSA-N 1 0 293.363 2.104 20 10 CECDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896384310 630549187 /nfs/dbraw/zinc/54/91/87/630549187.db2.gz JSDJHEDADRGINU-JTQLQIEISA-N 1 0 283.755 2.240 20 10 CECDRO C[C@]1([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)COC(=O)N1 ZINC000896397032 630552882 /nfs/dbraw/zinc/55/28/82/630552882.db2.gz ULMKPOOOAGFNJA-CZUORRHYSA-N 1 0 290.363 2.103 20 10 CECDRO NC(=O)CC1CC([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000896407367 630555737 /nfs/dbraw/zinc/55/57/37/630555737.db2.gz SZWAHFSKMLGILD-UHFFFAOYSA-N 1 0 284.359 2.289 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCN2C)cc1Cl ZINC000896595802 630609007 /nfs/dbraw/zinc/60/90/07/630609007.db2.gz OVHNSEYCMVWGCV-NSHDSACASA-N 1 0 254.761 2.148 20 10 CECDRO Cc1cccc(C[NH2+]C2(CF)CCOCC2)c1O ZINC000824691204 635478865 /nfs/dbraw/zinc/47/88/65/635478865.db2.gz YWNBCAUEWXKDMC-UHFFFAOYSA-N 1 0 253.317 2.309 20 10 CECDRO COCC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000798940875 630954430 /nfs/dbraw/zinc/95/44/30/630954430.db2.gz OJLCNYZNCMQNON-CKYFFXLPSA-N 1 0 283.343 2.067 20 10 CECDRO COc1cccc(O)c1CN(C)CCC[NH+]1CCCC1 ZINC000798958493 630957238 /nfs/dbraw/zinc/95/72/38/630957238.db2.gz ZESOPGAYQIKLAC-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO CC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)[C@@H](C)O ZINC000824922253 635526350 /nfs/dbraw/zinc/52/63/50/635526350.db2.gz YPRDBVRBXJORLU-DYVFJYSZSA-N 1 0 292.423 2.413 20 10 CECDRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c(O)c1 ZINC000897258533 631023645 /nfs/dbraw/zinc/02/36/45/631023645.db2.gz UBZPCFOBKWPADA-OAHLLOKOSA-N 1 0 291.391 2.207 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CCCC[C@@H]2OC)c1 ZINC000799740429 631074105 /nfs/dbraw/zinc/07/41/05/631074105.db2.gz ZYGUXXDUWJUNKA-ZFWWWQNUSA-N 1 0 265.353 2.448 20 10 CECDRO CCCC[N@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000305728978 631117386 /nfs/dbraw/zinc/11/73/86/631117386.db2.gz KAMIUVRKDVDGRY-UHFFFAOYSA-N 1 0 292.423 2.118 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCCOC(F)F ZINC000800895660 631152265 /nfs/dbraw/zinc/15/22/65/631152265.db2.gz UBQMPZVGZTXXHG-UHFFFAOYSA-N 1 0 261.268 2.120 20 10 CECDRO COc1cc(O)c(C[NH2+][C@]23C[C@H]2CCC3)cc1OC ZINC000897375239 631248433 /nfs/dbraw/zinc/24/84/33/631248433.db2.gz OHIPFPPTMMUTEI-IAQYHMDHSA-N 1 0 263.337 2.442 20 10 CECDRO CC[C@H]([NH2+]C[C@H](O)COC)c1cc(Cl)ccc1O ZINC000802310775 631423814 /nfs/dbraw/zinc/42/38/14/631423814.db2.gz WRRXSLXEFRJPDW-JQWIXIFHSA-N 1 0 273.760 2.094 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(C)=O)C2)cc1C ZINC000987645280 631437506 /nfs/dbraw/zinc/43/75/06/631437506.db2.gz OIKKODDYMLCVAJ-WFASDCNBSA-N 1 0 276.380 2.103 20 10 CECDRO COCCO[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000802653570 631440276 /nfs/dbraw/zinc/44/02/76/631440276.db2.gz YXOJTTWFPCIKIX-CYBMUJFWSA-N 1 0 295.379 2.028 20 10 CECDRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(Cl)cc1O ZINC000841744195 631556611 /nfs/dbraw/zinc/55/66/11/631556611.db2.gz MUCVHFIUBMGQPD-SECBINFHSA-N 1 0 282.771 2.222 20 10 CECDRO CN(C)c1ccc([C@@H](CNc2cccnn2)[NH+](C)C)cc1 ZINC000897523306 631622183 /nfs/dbraw/zinc/62/21/83/631622183.db2.gz UCJLCRKTSSWMCR-OAHLLOKOSA-N 1 0 285.395 2.257 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccc(Cl)cc1O ZINC000841749094 631649367 /nfs/dbraw/zinc/64/93/67/631649367.db2.gz NEGSDDAYPPTWBW-ZUZCIYMTSA-N 1 0 299.798 2.484 20 10 CECDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)[C@H](O)C2)c(Cl)c1 ZINC000897680810 631865186 /nfs/dbraw/zinc/86/51/86/631865186.db2.gz WNUGWKPDSAJYBD-NOZJJQNGSA-N 1 0 255.745 2.167 20 10 CECDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C1=CC(=O)CS1 ZINC000807776954 631870860 /nfs/dbraw/zinc/87/08/60/631870860.db2.gz JILBXJLCAOGLTH-PWSUYJOCSA-N 1 0 280.393 2.153 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000897844544 631941242 /nfs/dbraw/zinc/94/12/42/631941242.db2.gz RPJQPTXCOCLIPI-PCKAHOCUSA-N 1 0 260.381 2.064 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC23CC(O)C3)cc1 ZINC000897843948 631941443 /nfs/dbraw/zinc/94/14/43/631941443.db2.gz KBXHXAWYORUKFS-QYEFSBCOSA-N 1 0 272.392 2.269 20 10 CECDRO C[C@@]1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCNC1=O ZINC000897870972 631952812 /nfs/dbraw/zinc/95/28/12/631952812.db2.gz DGVRUXFDMAUDJR-GOSISDBHSA-N 1 0 296.370 2.427 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@]2(C)CCNC2=O)cc1F ZINC000897873206 631955072 /nfs/dbraw/zinc/95/50/72/631955072.db2.gz YFAYRIKLCQQWPV-MRXNPFEDSA-N 1 0 293.386 2.040 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cn(C)cn1 ZINC000808389177 631955321 /nfs/dbraw/zinc/95/53/21/631955321.db2.gz PNDULGVVTNAALW-UHFFFAOYSA-N 1 0 258.369 2.084 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000898115023 632056426 /nfs/dbraw/zinc/05/64/26/632056426.db2.gz DGKJXZCWJWYKQQ-CQSZACIVSA-N 1 0 297.782 2.473 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CC[C@H](O)C1CC1 ZINC000898202794 632083829 /nfs/dbraw/zinc/08/38/29/632083829.db2.gz NACGFYRRXZCORC-LBPRGKRZSA-N 1 0 255.745 2.296 20 10 CECDRO CCOc1ccc(C[NH2+]CC[C@H](O)C2CC2)c(O)c1 ZINC000898206836 632086469 /nfs/dbraw/zinc/08/64/69/632086469.db2.gz WXCSHLPVGQXWNS-AWEZNQCLSA-N 1 0 265.353 2.042 20 10 CECDRO COc1cccc(C[NH2+]Cc2cnc([C@H](C)O)s2)c1O ZINC000809741161 632136761 /nfs/dbraw/zinc/13/67/61/632136761.db2.gz LFYGYDDCJNCRFP-VIFPVBQESA-N 1 0 294.376 2.200 20 10 CECDRO C[C@H]([NH3+])CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000040855918 632358043 /nfs/dbraw/zinc/35/80/43/632358043.db2.gz GDEYAADNOLYSIS-AWEZNQCLSA-N 1 0 289.423 2.373 20 10 CECDRO Cl/C=C\C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000898435577 632496702 /nfs/dbraw/zinc/49/67/02/632496702.db2.gz JJHKEESZEPYIHI-BHQIHCQQSA-N 1 0 266.772 2.365 20 10 CECDRO CO[C@H](C)[C@H](C)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898448423 632498265 /nfs/dbraw/zinc/49/82/65/632498265.db2.gz RVOSLMKLBUMJJZ-JJRVBVJISA-N 1 0 293.455 2.368 20 10 CECDRO COCC[C@@H](C)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449381 632499162 /nfs/dbraw/zinc/49/91/62/632499162.db2.gz DDDNPSSWSDFRHW-PBHICJAKSA-N 1 0 293.455 2.370 20 10 CECDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000812394650 632521274 /nfs/dbraw/zinc/52/12/74/632521274.db2.gz UHWOCPVEMUIMAL-JTQLQIEISA-N 1 0 270.398 2.304 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](CO)C2)c2c1c(F)ccc2O ZINC000927147013 632594420 /nfs/dbraw/zinc/59/44/20/632594420.db2.gz IKSAVTGBIUBVEL-BFLSOPEQSA-N 1 0 265.328 2.440 20 10 CECDRO c1cc(C[NH2+]CCO[C@@H]2CCCCO2)cc2c1OCC2 ZINC000813334094 632671890 /nfs/dbraw/zinc/67/18/90/632671890.db2.gz WUOBMASDMLOLAN-MRXNPFEDSA-N 1 0 277.364 2.254 20 10 CECDRO COc1ccc(CNc2cc(NC3CC3)ncn2)c(O)c1 ZINC000840296646 632733887 /nfs/dbraw/zinc/73/38/87/632733887.db2.gz YZIAFUGULIBXQO-UHFFFAOYSA-N 1 0 286.335 2.377 20 10 CECDRO Cc1cc(Cl)cc(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1O ZINC000814173404 632798886 /nfs/dbraw/zinc/79/88/86/632798886.db2.gz LDDRBYFARIUUOT-BXUZGUMPSA-N 1 0 280.799 2.490 20 10 CECDRO C[N@@H+]1C[C@@H]2CCN(Cc3cc(Cl)ccc3O)[C@@H]2C1 ZINC000814173225 632799675 /nfs/dbraw/zinc/79/96/75/632799675.db2.gz HZSCPGPUWAVGLY-GXFFZTMASA-N 1 0 266.772 2.182 20 10 CECDRO CCC[N@H+](CC(N)=O)Cc1ccc(N(CC)CC)c(F)c1 ZINC000814177488 632801342 /nfs/dbraw/zinc/80/13/42/632801342.db2.gz DZMOAUHUQBJTPV-UHFFFAOYSA-N 1 0 295.402 2.369 20 10 CECDRO COc1ccncc1C[NH2+]Cc1c(O)cccc1OC ZINC000814298306 632821594 /nfs/dbraw/zinc/82/15/94/632821594.db2.gz QVTDIEDRCIDNCN-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1O ZINC000826851055 635861545 /nfs/dbraw/zinc/86/15/45/635861545.db2.gz BWDMFWSOJSJDOF-ZDUSSCGKSA-N 1 0 286.379 2.068 20 10 CECDRO Cc1n[nH]c(CC[NH2+]Cc2ccc3ccccc3c2O)n1 ZINC000816566563 633414322 /nfs/dbraw/zinc/41/43/22/633414322.db2.gz YZXPQPNAKFZNGF-UHFFFAOYSA-N 1 0 282.347 2.304 20 10 CECDRO CCN(C)C(=O)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816573820 633415762 /nfs/dbraw/zinc/41/57/62/633415762.db2.gz MILKCDUFTBDBSX-UHFFFAOYSA-N 1 0 272.348 2.113 20 10 CECDRO COc1ccc(C[NH2+]Cc2cnn(C)c2Cl)c(O)c1 ZINC000816597203 633419870 /nfs/dbraw/zinc/41/98/70/633419870.db2.gz JDKJJRPZJFXKMK-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO CCOc1ccc(CN(C)C[C@H]2CCC[N@@H+]2C)c(O)c1 ZINC000817417588 633655602 /nfs/dbraw/zinc/65/56/02/633655602.db2.gz PZFYCVXCICBJLY-CQSZACIVSA-N 1 0 278.396 2.317 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c1 ZINC000817586432 633702605 /nfs/dbraw/zinc/70/26/05/633702605.db2.gz OHURZPNDUHJIPN-NSHDSACASA-N 1 0 262.353 2.007 20 10 CECDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2ccccc2O)CC1=O ZINC000817590160 633703737 /nfs/dbraw/zinc/70/37/37/633703737.db2.gz UYYSORBSIZSHAG-QWHCGFSZSA-N 1 0 276.380 2.301 20 10 CECDRO C[C@H]1CC[NH2+][C@H](C(=O)NCCCSc2nccs2)C1 ZINC000817940734 633789259 /nfs/dbraw/zinc/78/92/59/633789259.db2.gz KFVHONIOZJEUOA-QWRGUYRKSA-N 1 0 299.465 2.130 20 10 CECDRO COCCC[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817943504 633790984 /nfs/dbraw/zinc/79/09/84/633790984.db2.gz URNJIFYSOSYXLT-XJKSGUPXSA-N 1 0 279.428 2.157 20 10 CECDRO C[C@H](N[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817945274 633792504 /nfs/dbraw/zinc/79/25/04/633792504.db2.gz YSIHXDKKYWHDAB-IUCAKERBSA-N 1 0 274.286 2.424 20 10 CECDRO CC[NH2+]CCN[C@H](C)c1ccc(Br)cc1O ZINC000817951975 633795925 /nfs/dbraw/zinc/79/59/25/633795925.db2.gz MBZVARDEHAAEEN-SECBINFHSA-N 1 0 287.201 2.415 20 10 CECDRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1O ZINC000817952542 633796934 /nfs/dbraw/zinc/79/69/34/633796934.db2.gz RMZBOPIPBXVTON-ONGXEEELSA-N 1 0 254.761 2.448 20 10 CECDRO C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817955005 633798715 /nfs/dbraw/zinc/79/87/15/633798715.db2.gz OFRHNLUFYNEXMY-QWRGUYRKSA-N 1 0 252.333 2.182 20 10 CECDRO C[C@@H]([NH3+])CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817970790 633813139 /nfs/dbraw/zinc/81/31/39/633813139.db2.gz FGUSPROIMKEUEN-NEPJUHHUSA-N 1 0 297.830 2.174 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000817970443 633813929 /nfs/dbraw/zinc/81/39/29/633813929.db2.gz VQKVHVNDHREJHG-CYZMBNFOSA-N 1 0 292.379 2.099 20 10 CECDRO COC[C@@]1(CN[C@H](C)c2ccc(N(C)C)cc2)CCC[NH2+]1 ZINC000817974207 633817702 /nfs/dbraw/zinc/81/77/02/633817702.db2.gz JKIWGHGFFOIEOQ-PBHICJAKSA-N 1 0 291.439 2.172 20 10 CECDRO COC[C@]1(CN[C@H](C)c2cc(Cl)ccc2O)CCC[NH2+]1 ZINC000817975888 633818183 /nfs/dbraw/zinc/81/81/83/633818183.db2.gz ZFQJCUFJJWNQEJ-IAQYHMDHSA-N 1 0 298.814 2.465 20 10 CECDRO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000817978412 633822088 /nfs/dbraw/zinc/82/20/88/633822088.db2.gz ANDODRPTPCNCFF-BXUZGUMPSA-N 1 0 283.366 2.400 20 10 CECDRO Cc1ccc(O)c([C@H](C)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000817981368 633824785 /nfs/dbraw/zinc/82/47/85/633824785.db2.gz RPTGRJQQUFUTSJ-GWCFXTLKSA-N 1 0 270.323 2.348 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1F ZINC000818230946 633891309 /nfs/dbraw/zinc/89/13/09/633891309.db2.gz KDHINEBSMACFCL-UKRRQHHQSA-N 1 0 266.360 2.285 20 10 CECDRO C[C@H](NC(=O)C1(C[NH+](C)C)CC1)c1ccc(N(C)C)cc1 ZINC000822081375 634846802 /nfs/dbraw/zinc/84/68/02/634846802.db2.gz DKJZNVIMIQMVEK-ZDUSSCGKSA-N 1 0 289.423 2.272 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)[NH+](C)C ZINC000822757222 634988355 /nfs/dbraw/zinc/98/83/55/634988355.db2.gz SXTUOCVFPMTKOC-CYBMUJFWSA-N 1 0 278.396 2.471 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2C)c1O ZINC000903300119 635047470 /nfs/dbraw/zinc/04/74/70/635047470.db2.gz GSTGLWZYBYJBGJ-LOWVWBTDSA-N 1 0 264.369 2.144 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccccc1O ZINC000903387306 635098572 /nfs/dbraw/zinc/09/85/72/635098572.db2.gz GRTFNBYKOWNZSE-IUODEOHRSA-N 1 0 277.364 2.381 20 10 CECDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1=O ZINC000903387218 635098598 /nfs/dbraw/zinc/09/85/98/635098598.db2.gz DNGUNVXHJTYVAX-DGCLKSJQSA-N 1 0 292.379 2.062 20 10 CECDRO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cc(F)ccc1O ZINC000903406157 635102085 /nfs/dbraw/zinc/10/20/85/635102085.db2.gz GZZFINDKWOMNGD-RNCFNFMXSA-N 1 0 253.317 2.343 20 10 CECDRO CCN(C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)c1ccc(OC)cc1 ZINC000903722701 635236175 /nfs/dbraw/zinc/23/61/75/635236175.db2.gz DFYODSGTVJVONL-IRXDYDNUSA-N 1 0 290.407 2.290 20 10 CECDRO Cc1cc(CN2CC[C@@H]3CC[C@]32C[NH3+])ccc1N(C)C ZINC000903865213 635315137 /nfs/dbraw/zinc/31/51/37/635315137.db2.gz YSVOYVUZKVVZNQ-RDJZCZTQSA-N 1 0 273.424 2.374 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2cc(N)ccn2)c(O)c1 ZINC000903950055 635382581 /nfs/dbraw/zinc/38/25/81/635382581.db2.gz HQXFCXGGMOMJIO-UHFFFAOYSA-N 1 0 273.336 2.058 20 10 CECDRO [NH3+][C@H]1CN(Cc2cccc(F)c2O)CC[C@H]1C(F)(F)F ZINC000903984284 635402818 /nfs/dbraw/zinc/40/28/18/635402818.db2.gz SBXOOXKQWAIJKI-KOLCDFICSA-N 1 0 292.276 2.243 20 10 CECDRO [NH3+][C@H]1CN(Cc2cccc(F)c2O)CC[C@@H]1C(F)(F)F ZINC000903984286 635403195 /nfs/dbraw/zinc/40/31/95/635403195.db2.gz SBXOOXKQWAIJKI-ONGXEEELSA-N 1 0 292.276 2.243 20 10 CECDRO CC[C@H](CO)[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000824533163 635444154 /nfs/dbraw/zinc/44/41/54/635444154.db2.gz BLPVZQYJMDYGPS-SNVBAGLBSA-N 1 0 288.185 2.357 20 10 CECDRO CCC[N@H+](CC(=O)NC)Cc1cc(Cl)c(C)cc1O ZINC000824606399 635460876 /nfs/dbraw/zinc/46/08/76/635460876.db2.gz RSDUQGAKDMHAOA-UHFFFAOYSA-N 1 0 284.787 2.312 20 10 CECDRO CCOc1ccc(C[NH2+]CCC(C)(C)CO)c(O)c1 ZINC000824603201 635461481 /nfs/dbraw/zinc/46/14/81/635461481.db2.gz NRQWNUIXLSQOSI-UHFFFAOYSA-N 1 0 267.369 2.289 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CCOC2(C)C)cc1OC ZINC000824626346 635464793 /nfs/dbraw/zinc/46/47/93/635464793.db2.gz XHVAGYOJMDYTAX-AWEZNQCLSA-N 1 0 281.352 2.067 20 10 CECDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824796475 635499428 /nfs/dbraw/zinc/49/94/28/635499428.db2.gz ILRVJDGRWQWZHW-LLVKDONJSA-N 1 0 296.798 2.312 20 10 CECDRO COc1cccc(C[N@H+]2CC[C@H](OC)[C@@H](C)C2)c1O ZINC000824814711 635502823 /nfs/dbraw/zinc/50/28/23/635502823.db2.gz DUNRWSBJLLUGNF-AAEUAGOBSA-N 1 0 265.353 2.258 20 10 CECDRO CC(=O)N1CCC([NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825063826 635556692 /nfs/dbraw/zinc/55/66/92/635556692.db2.gz HOVAOSVHHKUWMA-UHFFFAOYSA-N 1 0 296.798 2.455 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)C2CCOCC2)cc1Cl ZINC000825287730 635606781 /nfs/dbraw/zinc/60/67/81/635606781.db2.gz LURQVHMVWBZIPH-OAHLLOKOSA-N 1 0 299.798 2.231 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc2ccccc2c1O)C(=O)NC ZINC000825316241 635613493 /nfs/dbraw/zinc/61/34/93/635613493.db2.gz MMXSLNVNMMRAPP-AWEZNQCLSA-N 1 0 272.348 2.160 20 10 CECDRO Cc1cccc(CN2CC[C@]3(C2)CCCC[NH2+]3)c1O ZINC000904431292 635625500 /nfs/dbraw/zinc/62/55/00/635625500.db2.gz QZYWKAZZTRBMPW-INIZCTEOSA-N 1 0 260.381 2.419 20 10 CECDRO COc1cc(Cl)cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904420502 635631942 /nfs/dbraw/zinc/63/19/42/635631942.db2.gz QUCPSTXINOYJNY-CMPLNLGQSA-N 1 0 296.798 2.096 20 10 CECDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825671398 635691774 /nfs/dbraw/zinc/69/17/74/635691774.db2.gz IRRKCSYRUSZYIR-JTQLQIEISA-N 1 0 284.787 2.310 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000825973930 635739973 /nfs/dbraw/zinc/73/99/73/635739973.db2.gz TUVLFSZMPNLRNX-RDJZCZTQSA-N 1 0 289.423 2.276 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1 ZINC000826910384 635879911 /nfs/dbraw/zinc/87/99/11/635879911.db2.gz GHQAQUJAOXQXJC-WVSMJXTDSA-N 1 0 297.420 2.180 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)CC2CN(C)C2)c(Cl)c1 ZINC000827124771 636224707 /nfs/dbraw/zinc/22/47/07/636224707.db2.gz DNQXDUIQISAFAB-UHFFFAOYSA-N 1 0 268.788 2.347 20 10 CECDRO O=C1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC[C@@H]2N1 ZINC000827140146 636234235 /nfs/dbraw/zinc/23/42/35/636234235.db2.gz IFXABRRMONNGTE-GWCFXTLKSA-N 1 0 294.782 2.146 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)CCCC[NH3+])cc1 ZINC000827340794 636299637 /nfs/dbraw/zinc/29/96/37/636299637.db2.gz LEOQFSYYAQDKTB-UHFFFAOYSA-N 1 0 277.412 2.278 20 10 CECDRO COC(=O)N(C)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000827376866 636310549 /nfs/dbraw/zinc/31/05/49/636310549.db2.gz JNZSXFTYIUYNCT-UHFFFAOYSA-N 1 0 286.759 2.142 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1OC ZINC000827488443 636332762 /nfs/dbraw/zinc/33/27/62/636332762.db2.gz HFRNPDVCPROBIK-QHBPRCKVSA-N 1 0 263.337 2.298 20 10 CECDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)[C@]1(O)CCCOC1 ZINC000827595182 636362331 /nfs/dbraw/zinc/36/23/31/636362331.db2.gz MDZWPFIMJXLQMD-INIZCTEOSA-N 1 0 297.370 2.189 20 10 CECDRO COC[C@@H](C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827662765 636380957 /nfs/dbraw/zinc/38/09/57/636380957.db2.gz USNQEHUKHYESJS-AWEZNQCLSA-N 1 0 292.423 2.020 20 10 CECDRO Oc1ccc(Cl)cc1CN1CCc2nccnc2C1 ZINC000827693126 636393719 /nfs/dbraw/zinc/39/37/19/636393719.db2.gz YJNBQMXKUWQPTB-UHFFFAOYSA-N 1 0 275.739 2.394 20 10 CECDRO C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1O ZINC000827969053 636473477 /nfs/dbraw/zinc/47/34/77/636473477.db2.gz HHXXRBLQNPCBOT-AAEUAGOBSA-N 1 0 262.353 2.054 20 10 CECDRO C[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccccc1O ZINC000827973698 636475869 /nfs/dbraw/zinc/47/58/69/636475869.db2.gz WWDQULZGVCACOF-NWDGAFQWSA-N 1 0 294.420 2.007 20 10 CECDRO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1O)[NH+](C)C ZINC000827973480 636476058 /nfs/dbraw/zinc/47/60/58/636476058.db2.gz QVVGPYDZIXDCEA-FZMZJTMJSA-N 1 0 264.369 2.156 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCCc3n[nH]cc3C2)c1 ZINC000828013823 636486351 /nfs/dbraw/zinc/48/63/51/636486351.db2.gz LNMVXBNPBFBHDT-UHFFFAOYSA-N 1 0 273.336 2.072 20 10 CECDRO O=C(C[C@@H]1CCC[NH2+]1)NCc1c(O)ccc2c1CCCC2 ZINC000830597562 637107957 /nfs/dbraw/zinc/10/79/57/637107957.db2.gz ONNMHYGJAIMLOW-ZDUSSCGKSA-N 1 0 288.391 2.029 20 10 CECDRO Cc1cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1N(C)C ZINC000831729388 637420140 /nfs/dbraw/zinc/42/01/40/637420140.db2.gz SWPAEGTYXJPPTA-DOTOQJQBSA-N 1 0 273.424 2.197 20 10 CECDRO CC/C=C(\C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279247 637532168 /nfs/dbraw/zinc/53/21/68/637532168.db2.gz HWRBPGXYAZHCIG-KXCGHJCSSA-N 1 0 275.396 2.225 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]C[C@H](O)COc1ccccc1)CC2 ZINC000834502626 637848914 /nfs/dbraw/zinc/84/89/14/637848914.db2.gz RKSYMSZCMJOAED-GOEBONIOSA-N 1 0 299.370 2.409 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCN(CC3CC3)C1)CC2 ZINC000834575884 637876107 /nfs/dbraw/zinc/87/61/07/637876107.db2.gz PHUNMUDISQIDFU-CABCVRRESA-N 1 0 272.392 2.453 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCOc1cccnc1)CC2 ZINC000834585156 637881488 /nfs/dbraw/zinc/88/14/88/637881488.db2.gz HLOYGSFZFNMPDX-CQSZACIVSA-N 1 0 270.332 2.443 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CC1(O)Cc3ccccc3C1)CC2 ZINC000834597850 637886379 /nfs/dbraw/zinc/88/63/79/637886379.db2.gz KOFABTNNLVZGKZ-MRXNPFEDSA-N 1 0 295.382 2.499 20 10 CECDRO OC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccco1 ZINC000834624028 637893801 /nfs/dbraw/zinc/89/38/01/637893801.db2.gz DWWBYTNRJDTDNB-WFASDCNBSA-N 1 0 287.359 2.413 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000834881027 637976770 /nfs/dbraw/zinc/97/67/70/637976770.db2.gz YFPNTPITQMQABI-ZIBATOQPSA-N 1 0 283.343 2.233 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)c1c(C)cc(C)cc1O)C(=O)NC ZINC000834913968 637987031 /nfs/dbraw/zinc/98/70/31/637987031.db2.gz RQCUDVJATAEJLB-VXGBXAGGSA-N 1 0 264.369 2.184 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CCN(C)C2)cc1 ZINC000835036143 638033412 /nfs/dbraw/zinc/03/34/12/638033412.db2.gz ACVDPIFMSALRJI-XVWMLYKFSA-N 1 0 259.397 2.060 20 10 CECDRO COCCOCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835038356 638034031 /nfs/dbraw/zinc/03/40/31/638034031.db2.gz WPFVPGGHLSUFLW-SNAWJCMRSA-N 1 0 278.396 2.018 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCN2CCC2)cc1 ZINC000835041059 638034959 /nfs/dbraw/zinc/03/49/59/638034959.db2.gz JJRKTNOSVHFFOM-HYXAFXHYSA-N 1 0 259.397 2.061 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@H+](C)CC2CC(O)C2)cc1 ZINC000835046393 638037401 /nfs/dbraw/zinc/03/74/01/638037401.db2.gz WAXMRKOTOBGHOV-PLNGDYQASA-N 1 0 274.408 2.469 20 10 CECDRO Cc1ccc(CC[NH2+]Cc2cc3c(cc2O)OCO3)nc1 ZINC000835064015 638046580 /nfs/dbraw/zinc/04/65/80/638046580.db2.gz ADQNDOPFNRGDEN-UHFFFAOYSA-N 1 0 286.331 2.157 20 10 CECDRO CON1CCC([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC000835075801 638049477 /nfs/dbraw/zinc/04/94/77/638049477.db2.gz BQRPXXQTKPJSIN-UHFFFAOYSA-N 1 0 277.412 2.210 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@H]2CCC[C@@H]2O)ccc1OC ZINC000835084001 638055227 /nfs/dbraw/zinc/05/52/27/638055227.db2.gz ICMRFYYVWFZFKX-ZBFHGGJFSA-N 1 0 293.407 2.482 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H]2CC[C@H](C)O2)c(O)c1 ZINC000835086402 638057231 /nfs/dbraw/zinc/05/72/31/638057231.db2.gz GZYPSBKLUHZFLQ-SMDDNHRTSA-N 1 0 265.353 2.448 20 10 CECDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000876728457 650412292 /nfs/dbraw/zinc/41/22/92/650412292.db2.gz MJUXOPQEIVMTON-ZDUSSCGKSA-N 1 0 277.412 2.147 20 10 CECDRO COC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cccc1O)CC2 ZINC000876739247 650414261 /nfs/dbraw/zinc/41/42/61/650414261.db2.gz BTGBLZWRGKMILO-CQSZACIVSA-N 1 0 289.375 2.476 20 10 CECDRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000151421349 639297385 /nfs/dbraw/zinc/29/73/85/639297385.db2.gz CCKZNNJCKSZGOT-YOEHRIQHSA-N 1 0 294.439 2.437 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)Cc2cnn(C)c2)c1O ZINC000163997945 639340260 /nfs/dbraw/zinc/34/02/60/639340260.db2.gz MPXBOJPEXFJDGF-UHFFFAOYSA-N 1 0 275.352 2.075 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000044683825 639352682 /nfs/dbraw/zinc/35/26/82/639352682.db2.gz PDZQDSAWODTZPU-AWEZNQCLSA-N 1 0 259.397 2.079 20 10 CECDRO CCOCCN1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164315887 639363650 /nfs/dbraw/zinc/36/36/50/639363650.db2.gz UZHKPNVVVUTMLA-UHFFFAOYSA-N 1 0 292.423 2.163 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)C[C@@H]2CCCO2)c1O ZINC000164355239 639365529 /nfs/dbraw/zinc/36/55/29/639365529.db2.gz JXVWGNWRGGWTCX-ZDUSSCGKSA-N 1 0 265.353 2.320 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1cc(Cl)ccc1O ZINC000840833747 639556479 /nfs/dbraw/zinc/55/64/79/639556479.db2.gz PJKRJVYMUUFRQM-CABZTGNLSA-N 1 0 282.771 2.222 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCn2cccn2)c(Cl)c1 ZINC000840883745 639572702 /nfs/dbraw/zinc/57/27/02/639572702.db2.gz XBNLHMAUMWKCBI-UHFFFAOYSA-N 1 0 265.744 2.340 20 10 CECDRO Cc1ccc(C[NH2+][C@@H](CO)CC(F)(F)F)c(O)c1 ZINC000877124355 639572890 /nfs/dbraw/zinc/57/28/90/639572890.db2.gz VSEJAUXUFVHZHF-SNVBAGLBSA-N 1 0 263.259 2.104 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840909170 639582530 /nfs/dbraw/zinc/58/25/30/639582530.db2.gz BHWLJFIWPAQPNT-HNNXBMFYSA-N 1 0 290.407 2.446 20 10 CECDRO Cc1cc(O)c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000840921216 639587255 /nfs/dbraw/zinc/58/72/55/639587255.db2.gz WETPAANLQGEIET-QWRGUYRKSA-N 1 0 266.772 2.005 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000840934216 639591234 /nfs/dbraw/zinc/59/12/34/639591234.db2.gz OHLBJQWVMCJDCS-INIZCTEOSA-N 1 0 289.423 2.160 20 10 CECDRO CC(C)OCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000168950365 639591249 /nfs/dbraw/zinc/59/12/49/639591249.db2.gz ARMOOZCDYILHBY-UHFFFAOYSA-N 1 0 278.396 2.038 20 10 CECDRO COC[C@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)OC ZINC000840937655 639592221 /nfs/dbraw/zinc/59/22/21/639592221.db2.gz UDEYHEBBOAUDSJ-JTQLQIEISA-N 1 0 273.760 2.105 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCC[C@H]1CCO1 ZINC000876963927 650509502 /nfs/dbraw/zinc/50/95/02/650509502.db2.gz LHLNOBFZWUGPBX-KRWDZBQOSA-N 1 0 290.407 2.182 20 10 CECDRO COC[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)OC ZINC000227704573 639602543 /nfs/dbraw/zinc/60/25/43/639602543.db2.gz AMHNECBFGATFAD-QGZVFWFLSA-N 1 0 292.423 2.428 20 10 CECDRO COc1ccc(O)c(C[NH+]2CC(CO)(c3ccccc3)C2)c1 ZINC000840970909 639604863 /nfs/dbraw/zinc/60/48/63/639604863.db2.gz XRYHVOXNTTXMRI-UHFFFAOYSA-N 1 0 299.370 2.147 20 10 CECDRO COc1cccc(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)c1O ZINC000227827921 639606475 /nfs/dbraw/zinc/60/64/75/639606475.db2.gz HRSSEDQWSHKVHF-QWHCGFSZSA-N 1 0 265.353 2.304 20 10 CECDRO Cc1cc(O)c(CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000841027052 639620477 /nfs/dbraw/zinc/62/04/77/639620477.db2.gz JJKTZMOGHOZPHJ-DZGCQCFKSA-N 1 0 260.381 2.193 20 10 CECDRO CCCC[C@H](CN)[NH2+]Cc1cc(OCC)ccc1O ZINC000841030230 639622439 /nfs/dbraw/zinc/62/24/39/639622439.db2.gz VCDZCCZEUKIAEU-CYBMUJFWSA-N 1 0 266.385 2.398 20 10 CECDRO CC(C)[C@@H]([NH3+])CNC/C=C/c1ccc(N(C)C)cc1 ZINC000841031466 639624243 /nfs/dbraw/zinc/62/42/43/639624243.db2.gz SIGFLESETLRCBR-JFDDCEBESA-N 1 0 261.413 2.339 20 10 CECDRO CCOc1ccc(CNC[C@@H]2CCCC[NH2+]2)c(O)c1 ZINC000841033621 639627032 /nfs/dbraw/zinc/62/70/32/639627032.db2.gz XXIJLLUYCWBVPJ-ZDUSSCGKSA-N 1 0 264.369 2.023 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841037075 639629025 /nfs/dbraw/zinc/62/90/25/639629025.db2.gz SDWSJNOODWNJSV-JTQLQIEISA-N 1 0 254.761 2.135 20 10 CECDRO Cc1ncccc1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841043347 639630168 /nfs/dbraw/zinc/63/01/68/639630168.db2.gz OASZZPLVPHMHOL-QGZVFWFLSA-N 1 0 284.407 2.246 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNCc2cccc(O)c2)cc1 ZINC000841044626 639631035 /nfs/dbraw/zinc/63/10/35/639631035.db2.gz XBDIDGMPJYJQPD-KRWDZBQOSA-N 1 0 285.391 2.248 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CC2([NH3+])CCC2)c1O ZINC000841049122 639632166 /nfs/dbraw/zinc/63/21/66/639632166.db2.gz NIWDMHUJCBAZRB-UHFFFAOYSA-N 1 0 254.761 2.325 20 10 CECDRO Cc1cc(O)c(CNC[C@H]([NH3+])C2CC2)c(Cl)c1 ZINC000841049957 639633399 /nfs/dbraw/zinc/63/33/99/639633399.db2.gz CZVGTKLVPYJDAR-LBPRGKRZSA-N 1 0 254.761 2.181 20 10 CECDRO CCN(CC)c1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1F ZINC000841079653 639648593 /nfs/dbraw/zinc/64/85/93/639648593.db2.gz OANRWYLLTBKKEI-KBPBESRZSA-N 1 0 297.393 2.462 20 10 CECDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000228929740 639665823 /nfs/dbraw/zinc/66/58/23/639665823.db2.gz ILNVPJBTZVLAEC-QWHCGFSZSA-N 1 0 277.412 2.316 20 10 CECDRO Cc1ccc(C[NH2+]CCC(=O)Nc2ccccn2)c(O)c1 ZINC000876979621 650517007 /nfs/dbraw/zinc/51/70/07/650517007.db2.gz MDISJMYXXWWJFU-UHFFFAOYSA-N 1 0 285.347 2.214 20 10 CECDRO CC(C)C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000062734525 639780068 /nfs/dbraw/zinc/78/00/68/639780068.db2.gz YWWKZCPMHDWYQN-UHFFFAOYSA-N 1 0 289.423 2.134 20 10 CECDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(N)cc1 ZINC000230721429 639783185 /nfs/dbraw/zinc/78/31/85/639783185.db2.gz KYCDNAWXYYKNQX-UHFFFAOYSA-N 1 0 264.373 2.074 20 10 CECDRO C[C@H]([NH2+]CCc1ccn(C)n1)c1cc(F)ccc1O ZINC000230899370 639805531 /nfs/dbraw/zinc/80/55/31/639805531.db2.gz UPPUAULYUSXUPI-JTQLQIEISA-N 1 0 263.316 2.158 20 10 CECDRO Cc1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c(O)c1 ZINC000877014486 650531774 /nfs/dbraw/zinc/53/17/74/650531774.db2.gz CODMMGLBZPUCPO-INIZCTEOSA-N 1 0 271.360 2.394 20 10 CECDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841747110 639857197 /nfs/dbraw/zinc/85/71/97/639857197.db2.gz NUFRCGSVDGPDON-LLVKDONJSA-N 1 0 286.803 2.274 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841751273 639857887 /nfs/dbraw/zinc/85/78/87/639857887.db2.gz HBPQFXPNQRHQPX-SECBINFHSA-N 1 0 270.760 2.175 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2(N(C)C)CC2)cc1F ZINC000841890006 639900070 /nfs/dbraw/zinc/90/00/70/639900070.db2.gz KFLPVBBWNUJTKO-UHFFFAOYSA-N 1 0 265.376 2.076 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1O ZINC000841891074 639900765 /nfs/dbraw/zinc/90/07/65/639900765.db2.gz HOYUKQCSJTVLSD-BJHJDKERSA-N 1 0 255.745 2.357 20 10 CECDRO C[C@@H](CCCC[NH3+])NC(=O)N(C)Cc1ccccc1O ZINC000841993560 639916296 /nfs/dbraw/zinc/91/62/96/639916296.db2.gz FUZXGAJOYAGAOQ-LBPRGKRZSA-N 1 0 279.384 2.051 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCN(C)CC(F)(F)F ZINC000877026518 650536608 /nfs/dbraw/zinc/53/66/08/650536608.db2.gz BRJJPPROHGOEOA-UHFFFAOYSA-N 1 0 276.302 2.284 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000877071630 650558922 /nfs/dbraw/zinc/55/89/22/650558922.db2.gz AXHJYDFWUINTSM-OAHLLOKOSA-N 1 0 261.321 2.291 20 10 CECDRO C[NH2+][C@H]1CCN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000843045140 640249361 /nfs/dbraw/zinc/24/93/61/640249361.db2.gz MPPIMTJVYFTGLU-JTQLQIEISA-N 1 0 254.761 2.148 20 10 CECDRO C[N@H+](Cc1cccc(Br)c1[O-])C1CC[NH2+]CC1 ZINC000843046714 640251340 /nfs/dbraw/zinc/25/13/40/640251340.db2.gz ZPDCVTXTWMSKLU-UHFFFAOYSA-N 1 0 299.212 2.339 20 10 CECDRO Cc1cc(Br)cc(CN2CCC[NH2+]CC2)c1O ZINC000843047640 640252295 /nfs/dbraw/zinc/25/22/95/640252295.db2.gz SPUMYTIJVOBRSR-UHFFFAOYSA-N 1 0 299.212 2.258 20 10 CECDRO C[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1[NH3+] ZINC000843052028 640254910 /nfs/dbraw/zinc/25/49/10/640254910.db2.gz OROTUMJYBITVGJ-JOYOIKCWSA-N 1 0 254.761 2.215 20 10 CECDRO C[NH2+]CCN(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000843057458 640260146 /nfs/dbraw/zinc/26/01/46/640260146.db2.gz MSVLUWMVWMZCOB-UHFFFAOYSA-N 1 0 289.345 2.423 20 10 CECDRO CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccc(N)cc1 ZINC000877079200 650563140 /nfs/dbraw/zinc/56/31/40/650563140.db2.gz UXWWIXBQPMNWOX-GLQYFDAESA-N 1 0 273.380 2.152 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000843128903 640295365 /nfs/dbraw/zinc/29/53/65/640295365.db2.gz YYBLETVZXCMMJT-DZGCQCFKSA-N 1 0 277.387 2.076 20 10 CECDRO OC1CCN(c2ccc(C[NH2+]C3CC=CC3)cc2)CC1 ZINC000877092912 650569114 /nfs/dbraw/zinc/56/91/14/650569114.db2.gz AJHMXQOQWSQSKD-UHFFFAOYSA-N 1 0 272.392 2.456 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C2)cc1 ZINC000152882036 640348778 /nfs/dbraw/zinc/34/87/78/640348778.db2.gz LQNZZLPJUJYWCK-MRXNPFEDSA-N 1 0 289.423 2.243 20 10 CECDRO OC1CCN(c2ccc(C[NH2+]CCCF)cc2)CC1 ZINC000877091673 650567538 /nfs/dbraw/zinc/56/75/38/650567538.db2.gz MXDBHJOLJKQXNR-UHFFFAOYSA-N 1 0 266.360 2.097 20 10 CECDRO CC[NH2+]Cc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000843289576 640377332 /nfs/dbraw/zinc/37/73/32/640377332.db2.gz VDFGTJLKEMSVSI-UHFFFAOYSA-N 1 0 250.323 2.331 20 10 CECDRO CCCN(Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CC[NH2+]C1 ZINC000843349433 640398010 /nfs/dbraw/zinc/39/80/10/640398010.db2.gz ZFQCVEPNFOUPHA-AWEZNQCLSA-N 1 0 294.370 2.308 20 10 CECDRO c1cc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc2c1OCC2 ZINC000914433877 640404502 /nfs/dbraw/zinc/40/45/02/640404502.db2.gz XRZKOEBHNWSAJE-HUUCEWRRSA-N 1 0 259.349 2.136 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@H](O)C(F)(F)F ZINC000877126082 650584187 /nfs/dbraw/zinc/58/41/87/650584187.db2.gz FFGWCWVDCUYFCR-PWSUYJOCSA-N 1 0 277.286 2.492 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1F ZINC000844183296 640625587 /nfs/dbraw/zinc/62/55/87/640625587.db2.gz WGOVXGBALBTYHO-BETUJISGSA-N 1 0 293.386 2.025 20 10 CECDRO CCCCC[N@H+](CC(N)=O)Cc1ccc(C)cc1O ZINC000877181338 650613708 /nfs/dbraw/zinc/61/37/08/650613708.db2.gz APJFLNUOBOWVIQ-UHFFFAOYSA-N 1 0 264.369 2.178 20 10 CECDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000846018569 641153397 /nfs/dbraw/zinc/15/33/97/641153397.db2.gz USKWQGZHMXBBCX-AAEUAGOBSA-N 1 0 297.395 2.296 20 10 CECDRO OCC1(CC[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000846102656 641182010 /nfs/dbraw/zinc/18/20/10/641182010.db2.gz HURXZRDISHBTBE-UHFFFAOYSA-N 1 0 261.365 2.264 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC2(CO)CCC2)cc1 ZINC000846103317 641182760 /nfs/dbraw/zinc/18/27/60/641182760.db2.gz NNDXMOZUADAXCX-UHFFFAOYSA-N 1 0 262.397 2.395 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C2CCN(C(C)=O)CC2)c1O ZINC000846136944 641198178 /nfs/dbraw/zinc/19/81/78/641198178.db2.gz MLBSLWAIXLYVAA-LLVKDONJSA-N 1 0 292.379 2.062 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN2C)c1O ZINC000846142206 641199181 /nfs/dbraw/zinc/19/91/81/641199181.db2.gz DFQJEPNWQLGGAU-RYUDHWBXSA-N 1 0 264.369 2.146 20 10 CECDRO CCC[C@@H](O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846142548 641199215 /nfs/dbraw/zinc/19/92/15/641199215.db2.gz ARFPAZMPILBKDD-GHMZBOCLSA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)CCO)c1O ZINC000846144715 641200334 /nfs/dbraw/zinc/20/03/34/641200334.db2.gz INMSFTOBWFPXCW-NSHDSACASA-N 1 0 267.369 2.460 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@]2(C)CCOC2)c1O ZINC000846143409 641200916 /nfs/dbraw/zinc/20/09/16/641200916.db2.gz FKEDIWGEIAXHON-NHYWBVRUSA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)c1O ZINC000846149451 641202997 /nfs/dbraw/zinc/20/29/97/641202997.db2.gz ZNKHVWLRJSUZQI-SDDRHHMPSA-N 1 0 265.353 2.476 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)c1O ZINC000846148973 641203186 /nfs/dbraw/zinc/20/31/86/641203186.db2.gz DNFYETMNGJFAST-LLVKDONJSA-N 1 0 294.395 2.356 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)c1O ZINC000846165075 641208962 /nfs/dbraw/zinc/20/89/62/641208962.db2.gz KOIFMHIGLKRZOT-GVXVVHGQSA-N 1 0 265.353 2.476 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](C)[C@@H](C)OC)c1O ZINC000846168454 641210807 /nfs/dbraw/zinc/21/08/07/641210807.db2.gz CWNGTJZJWXWUBK-GMTAPVOTSA-N 1 0 253.342 2.475 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CO[C@@H](C)C2)c1O ZINC000846170710 641211981 /nfs/dbraw/zinc/21/19/81/641211981.db2.gz CKWOSEPATFWGNJ-DCAQKATOSA-N 1 0 251.326 2.229 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000846204645 641220576 /nfs/dbraw/zinc/22/05/76/641220576.db2.gz AGNYHRXPPZXHBT-STQMWFEESA-N 1 0 288.391 2.362 20 10 CECDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1=O ZINC000846207500 641221631 /nfs/dbraw/zinc/22/16/31/641221631.db2.gz CFUZFEQEIJLQCJ-WDEREUQCSA-N 1 0 280.343 2.050 20 10 CECDRO C[C@H]([NH2+][C@H](CO)CCF)c1ccc(N(C)C)cc1 ZINC000846208773 641222644 /nfs/dbraw/zinc/22/26/44/641222644.db2.gz KZGRNKOEEXXRGW-AAEUAGOBSA-N 1 0 254.349 2.124 20 10 CECDRO C[NH+](C)C[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000179633862 641371454 /nfs/dbraw/zinc/37/14/54/641371454.db2.gz MTTVWNHYJNEVHK-NSHDSACASA-N 1 0 268.788 2.429 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCn2ccnn2)c(O)c1 ZINC000126444754 650661738 /nfs/dbraw/zinc/66/17/38/650661738.db2.gz ZWIXJHKKYPXPRV-LBPRGKRZSA-N 1 0 260.341 2.033 20 10 CECDRO CCC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000847032250 641538775 /nfs/dbraw/zinc/53/87/75/641538775.db2.gz JWLWAMYXLIOJQL-UHFFFAOYSA-N 1 0 291.439 2.489 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(CO)cc2)c1 ZINC000227458288 641669249 /nfs/dbraw/zinc/66/92/49/641669249.db2.gz HRPQUACDZZVIFV-UHFFFAOYSA-N 1 0 257.333 2.483 20 10 CECDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877401301 650707749 /nfs/dbraw/zinc/70/77/49/650707749.db2.gz BGUZMDPFTVUQKG-GFCCVEGCSA-N 1 0 278.352 2.021 20 10 CECDRO CO[C@@](C)(CO)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000848556434 642052189 /nfs/dbraw/zinc/05/21/89/642052189.db2.gz XQOUSSMAVCHTFO-IINYFYTJSA-N 1 0 287.787 2.402 20 10 CECDRO CCc1cccc(C[NH+]2CCN(c3ncccn3)CC2)c1O ZINC000848875975 642164329 /nfs/dbraw/zinc/16/43/29/642164329.db2.gz DJPCRQITDXABIU-UHFFFAOYSA-N 1 0 298.390 2.067 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)c1O ZINC000848904457 642181922 /nfs/dbraw/zinc/18/19/22/642181922.db2.gz UKNUPKZUYFBHRO-STQMWFEESA-N 1 0 262.397 2.479 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)c1O ZINC000848905699 642183096 /nfs/dbraw/zinc/18/30/96/642183096.db2.gz LFHNILJNSCQYHG-HXPMCKFVSA-N 1 0 281.421 2.298 20 10 CECDRO C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc(F)cc(F)c1[O-] ZINC000817965157 642185469 /nfs/dbraw/zinc/18/54/69/642185469.db2.gz QLZKQRRZWKKWBL-QMMMGPOBSA-N 1 0 256.296 2.202 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H]3CN(C)C[C@H]32)c1O ZINC000848912883 642187191 /nfs/dbraw/zinc/18/71/91/642187191.db2.gz LFVHMAWNJTWHJA-UKRRQHHQSA-N 1 0 260.381 2.091 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCn3ccnc32)c1O ZINC000848914805 642188517 /nfs/dbraw/zinc/18/85/17/642188517.db2.gz SWSTUJDWPLUTHL-CYBMUJFWSA-N 1 0 257.337 2.386 20 10 CECDRO CCc1cccc(C[N@H+](C)C2CCN(OC)CC2)c1O ZINC000848914114 642188926 /nfs/dbraw/zinc/18/89/26/642188926.db2.gz DTOVWRDTQWFCPH-UHFFFAOYSA-N 1 0 278.396 2.412 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C[C@H](C)O)C2CC2)c1O ZINC000848929458 642199203 /nfs/dbraw/zinc/19/92/03/642199203.db2.gz XAZQGQVMFGMLGV-VIFPVBQESA-N 1 0 285.771 2.399 20 10 CECDRO C[C@@H](O)C[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000848928456 642199455 /nfs/dbraw/zinc/19/94/55/642199455.db2.gz DUQJCIBEVUSGHG-LLVKDONJSA-N 1 0 266.360 2.237 20 10 CECDRO Oc1ccc2c(c1CNC1=[NH+]CCCCN1)CCCC2 ZINC000849218095 642287289 /nfs/dbraw/zinc/28/72/89/642287289.db2.gz YPJFYJVGZILXBD-UHFFFAOYSA-N 1 0 273.380 2.100 20 10 CECDRO CCc1nc(CC[NH2+]Cc2ccc3c(c2)CCCO3)no1 ZINC000921643300 642323464 /nfs/dbraw/zinc/32/34/64/642323464.db2.gz MGLIJORWFZEWER-UHFFFAOYSA-N 1 0 287.363 2.289 20 10 CECDRO COc1ncc(C[NH2+]Cc2ccc(OC)cc2O)s1 ZINC000877493142 650749251 /nfs/dbraw/zinc/74/92/51/650749251.db2.gz HAHXZOIFALNSJJ-UHFFFAOYSA-N 1 0 280.349 2.156 20 10 CECDRO COc1cc(C[NH2+][C@@H]2CCN(C)C2)c(O)c(C(C)(C)C)c1 ZINC000850119033 642585375 /nfs/dbraw/zinc/58/53/75/642585375.db2.gz MQSXKACNFTYZHK-CYBMUJFWSA-N 1 0 292.423 2.492 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000877529631 650769727 /nfs/dbraw/zinc/76/97/27/650769727.db2.gz JODDAWHFWSXPSH-AWEZNQCLSA-N 1 0 288.391 2.145 20 10 CECDRO CO[C@H](C[NH2+]Cc1c(O)cccc1Cl)[C@@H]1CCOC1 ZINC000850343764 642674403 /nfs/dbraw/zinc/67/44/03/642674403.db2.gz WNXPKAYABRKIAZ-QMTHXVAHSA-N 1 0 285.771 2.187 20 10 CECDRO COCC1([NH2+]Cc2cc3c(cc2O)OCO3)CCCC1 ZINC000850345386 642674550 /nfs/dbraw/zinc/67/45/50/642674550.db2.gz XXGYOJRKSGATJE-UHFFFAOYSA-N 1 0 279.336 2.170 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCO[C@@H](C)C3)C2)cc1 ZINC000850347604 642675516 /nfs/dbraw/zinc/67/55/16/642675516.db2.gz UOUGRPNIWGMQHL-KKUMJFAQSA-N 1 0 290.407 2.431 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3conc3C)C2)cc1 ZINC000850346726 642675755 /nfs/dbraw/zinc/67/57/55/642675755.db2.gz IPGULCQTCHOALN-CQSZACIVSA-N 1 0 287.363 2.360 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000850351469 642677627 /nfs/dbraw/zinc/67/76/27/642677627.db2.gz NCEBFWXQHWHHJO-LBPRGKRZSA-N 1 0 278.396 2.363 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1C[C@H](O)c3ccccc31)OCO2 ZINC000850372243 642685961 /nfs/dbraw/zinc/68/59/61/642685961.db2.gz RSFGNPBVXAQITJ-HIFRSBDPSA-N 1 0 299.326 2.389 20 10 CECDRO COC(=O)N(C)CC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000850389931 642696521 /nfs/dbraw/zinc/69/65/21/642696521.db2.gz MGGHSEADTBROEK-UHFFFAOYSA-N 1 0 286.759 2.142 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1F ZINC000850389460 642696822 /nfs/dbraw/zinc/69/68/22/642696822.db2.gz XLYLINCOEYVARD-HUUCEWRRSA-N 1 0 278.371 2.285 20 10 CECDRO CC[C@@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000850529758 642743393 /nfs/dbraw/zinc/74/33/93/642743393.db2.gz SRANUMIRXQFOQA-NGZCFLSTSA-N 1 0 253.317 2.440 20 10 CECDRO OC[C@H](CC(F)F)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922059242 642859765 /nfs/dbraw/zinc/85/97/65/642859765.db2.gz JRLMSECNCGDLQA-LBPRGKRZSA-N 1 0 271.307 2.117 20 10 CECDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922157056 642912442 /nfs/dbraw/zinc/91/24/42/642912442.db2.gz VNHZXWYIUVNEQI-RDJZCZTQSA-N 1 0 291.391 2.153 20 10 CECDRO OC1CCN(c2ccc(C[NH2+][C@@H]3C=CCC3)cc2)CC1 ZINC000877624841 650819625 /nfs/dbraw/zinc/81/96/25/650819625.db2.gz TYHKOLRBSYRDRI-OAHLLOKOSA-N 1 0 272.392 2.456 20 10 CECDRO CCCC[N@H+](CCc1cn[nH]n1)Cc1ccccc1O ZINC000852019065 643268369 /nfs/dbraw/zinc/26/83/69/643268369.db2.gz UIEQMSPDBDGIEQ-UHFFFAOYSA-N 1 0 274.368 2.355 20 10 CECDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877655102 650835991 /nfs/dbraw/zinc/83/59/91/650835991.db2.gz OFCXAEWCNLBKJZ-CQSZACIVSA-N 1 0 275.348 2.442 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2[C@H](C)O)c1O ZINC000852559186 643471867 /nfs/dbraw/zinc/47/18/67/643471867.db2.gz GZUWALKXARUOPF-IINYFYTJSA-N 1 0 281.327 2.079 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H](CC)[NH2+]C ZINC000852799306 643556452 /nfs/dbraw/zinc/55/64/52/643556452.db2.gz DAMPANLQZBYIGW-ZDUSSCGKSA-N 1 0 264.369 2.129 20 10 CECDRO O=C(C=C1CC[NH2+]CC1)NCCCSc1nccs1 ZINC000852841230 643572345 /nfs/dbraw/zinc/57/23/45/643572345.db2.gz YBRVZDIGNGTPRB-UHFFFAOYSA-N 1 0 297.449 2.051 20 10 CECDRO Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)C=C1CC[NH2+]CC1 ZINC000852841679 643573335 /nfs/dbraw/zinc/57/33/35/643573335.db2.gz IRFSNBRVPOOGCP-ZDUSSCGKSA-N 1 0 286.375 2.419 20 10 CECDRO CCOCCN1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000111164164 643703734 /nfs/dbraw/zinc/70/37/34/643703734.db2.gz MPINNWMESOGKAC-UHFFFAOYSA-N 1 0 292.423 2.163 20 10 CECDRO Cc1cc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)ccc1N(C)C ZINC000923458487 643720202 /nfs/dbraw/zinc/72/02/02/643720202.db2.gz PECGNJBNFVHHEU-JKSUJKDBSA-N 1 0 273.424 2.245 20 10 CECDRO COC(=O)C[C@](C)([NH2+]Cc1ccccc1O)C1CC1 ZINC000877706859 650862529 /nfs/dbraw/zinc/86/25/29/650862529.db2.gz JZOPUSZLXJBRBF-HNNXBMFYSA-N 1 0 263.337 2.214 20 10 CECDRO COC(=O)C[C@](C)([NH2+]Cc1cc(OC)ccc1O)C1CC1 ZINC000877706541 650862549 /nfs/dbraw/zinc/86/25/49/650862549.db2.gz HFDDZNUZJYGRPT-INIZCTEOSA-N 1 0 293.363 2.222 20 10 CECDRO COC(=O)C[C@](C)([NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000877707684 650863374 /nfs/dbraw/zinc/86/33/74/650863374.db2.gz ZAFTZOKIWXBNET-KRWDZBQOSA-N 1 0 289.375 2.443 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3COC[C@@H]3C1)CCC2 ZINC000853586895 643823506 /nfs/dbraw/zinc/82/35/06/643823506.db2.gz ZAFLHQLTIPQVJY-HOCLYGCPSA-N 1 0 273.376 2.349 20 10 CECDRO C[C@H]1C[C@@H](N[C@H]2CC[NH2+]C2)c2c1c(F)ccc2O ZINC000854223279 644016287 /nfs/dbraw/zinc/01/62/87/644016287.db2.gz BSKMDTSUETVQDL-ATZCPNFKSA-N 1 0 250.317 2.031 20 10 CECDRO C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(F)cc1[O-] ZINC000854222686 644016302 /nfs/dbraw/zinc/01/63/02/644016302.db2.gz KHCRNLWBJKECKU-JTQLQIEISA-N 1 0 252.333 2.453 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)[C@H]1SC ZINC000839067027 644138137 /nfs/dbraw/zinc/13/81/37/644138137.db2.gz MCBVBZSOTKXPNL-NWANDNLSSA-N 1 0 297.420 2.399 20 10 CECDRO CCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000877756625 650899128 /nfs/dbraw/zinc/89/91/28/650899128.db2.gz ZMZBLBQJDYVBES-GFCCVEGCSA-N 1 0 276.380 2.444 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000756118305 644605838 /nfs/dbraw/zinc/60/58/38/644605838.db2.gz LZZSEFVHJQLXAQ-BBRMVZONSA-N 1 0 261.413 2.101 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCNC2=O)c2c1c(F)ccc2O ZINC000756395812 644643226 /nfs/dbraw/zinc/64/32/26/644643226.db2.gz JJNSDZCZXRILHF-ADEWGFFLSA-N 1 0 292.354 2.338 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Cl)ccc1O ZINC000756510456 644657038 /nfs/dbraw/zinc/65/70/38/644657038.db2.gz IJYAJHXYSVULSO-MFKMUULPSA-N 1 0 299.798 2.484 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)C2)c2c1c(F)ccc2O ZINC000756534698 644659672 /nfs/dbraw/zinc/65/96/72/644659672.db2.gz MXCDFYWCEONYFS-SCVCMEIPSA-N 1 0 264.344 2.373 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOC[C@H]2CCOC2)c1 ZINC000756564205 644667563 /nfs/dbraw/zinc/66/75/63/644667563.db2.gz RIQGVGMXKVXKRW-KGLIPLIRSA-N 1 0 279.380 2.404 20 10 CECDRO CC[S@](=O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756577954 644671212 /nfs/dbraw/zinc/67/12/12/644671212.db2.gz SYZQGSPMKMDOLZ-UYKLKCEZSA-N 1 0 285.384 2.438 20 10 CECDRO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(F)ccc1O ZINC000756582982 644671275 /nfs/dbraw/zinc/67/12/75/644671275.db2.gz MMTCXSJRCZIZRC-DGCLKSJQSA-N 1 0 283.343 2.378 20 10 CECDRO COC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756595692 644673315 /nfs/dbraw/zinc/67/33/15/644673315.db2.gz YCRGDGJLMNGJND-JFGNBEQYSA-N 1 0 283.343 2.067 20 10 CECDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756733917 644687352 /nfs/dbraw/zinc/68/73/52/644687352.db2.gz RSQNCZFZQCQEGT-CHWSQXEVSA-N 1 0 267.369 2.403 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2)c2c1c(F)ccc2O ZINC000756768101 644690588 /nfs/dbraw/zinc/69/05/88/644690588.db2.gz JKRBQEIVVNALIN-WCABBAIRSA-N 1 0 251.301 2.458 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CC2(C)OCCO2)c2c1c(F)ccc2O ZINC000756779900 644691593 /nfs/dbraw/zinc/69/15/93/644691593.db2.gz NSDHUPOEWPAKGD-MWLCHTKSSA-N 1 0 281.327 2.432 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(N)=O)c2c1c(F)ccc2O ZINC000756782953 644692350 /nfs/dbraw/zinc/69/23/50/644692350.db2.gz XAJUINANMLSZLO-PSASIEDQSA-N 1 0 280.343 2.181 20 10 CECDRO Cc1cc(C[NH2+]Cc2cc(Cl)ccc2O)ncn1 ZINC000756990216 644715909 /nfs/dbraw/zinc/71/59/09/644715909.db2.gz IZAGYEMKYAUABC-UHFFFAOYSA-N 1 0 263.728 2.434 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)CC(F)(F)F)cc1C ZINC000756993454 644717227 /nfs/dbraw/zinc/71/72/27/644717227.db2.gz AZIUGLAZXXIFBW-NSHDSACASA-N 1 0 277.286 2.412 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c(O)c1 ZINC000857060666 644805571 /nfs/dbraw/zinc/80/55/71/644805571.db2.gz DIFABNXPOYCYPV-JSGCOSHPSA-N 1 0 279.380 2.241 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000857878017 644994514 /nfs/dbraw/zinc/99/45/14/644994514.db2.gz RVOPRNCHUVQSEF-UHFFFAOYSA-N 1 0 270.380 2.342 20 10 CECDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858095616 645058968 /nfs/dbraw/zinc/05/89/68/645058968.db2.gz RIKSAGGOGMGQFI-NSHDSACASA-N 1 0 294.349 2.406 20 10 CECDRO C[C@H](Cn1cccn1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858095615 645059280 /nfs/dbraw/zinc/05/92/80/645059280.db2.gz RIKSAGGOGMGQFI-LLVKDONJSA-N 1 0 294.349 2.406 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000858295848 645109790 /nfs/dbraw/zinc/10/97/90/645109790.db2.gz KFSCAGJJZIZPBE-BBRMVZONSA-N 1 0 277.364 2.448 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(C)cc1O ZINC000858522395 645190895 /nfs/dbraw/zinc/19/08/95/645190895.db2.gz DQXVGGSSUCRXDC-HIFRSBDPSA-N 1 0 278.396 2.072 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000761199022 645256087 /nfs/dbraw/zinc/25/60/87/645256087.db2.gz XEOQFVADVYZQTA-LLVKDONJSA-N 1 0 297.738 2.470 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCCC3(C2)OCCO3)c(O)c1 ZINC000761215473 645257874 /nfs/dbraw/zinc/25/78/74/645257874.db2.gz QDNGMDJUTQTMMK-UHFFFAOYSA-N 1 0 293.363 2.130 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c(O)c1 ZINC000762504702 645421781 /nfs/dbraw/zinc/42/17/81/645421781.db2.gz VTPZCADTXBKAAW-SMDDNHRTSA-N 1 0 265.353 2.306 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(N(C)C)cc1 ZINC000763396988 645541824 /nfs/dbraw/zinc/54/18/24/645541824.db2.gz GQYVNCFJGOHHBO-SMDDNHRTSA-N 1 0 263.385 2.057 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCC(=O)NC)cc1 ZINC000765406330 645764113 /nfs/dbraw/zinc/76/41/13/645764113.db2.gz VAUYJGJFSSKINE-ZDUSSCGKSA-N 1 0 277.412 2.320 20 10 CECDRO C[N@H+](CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768137646 646089072 /nfs/dbraw/zinc/08/90/72/646089072.db2.gz RAOKPVXQOHLBFV-UHFFFAOYSA-N 1 0 293.367 2.009 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768438031 646122368 /nfs/dbraw/zinc/12/23/68/646122368.db2.gz OQQYSNPMFGOMRN-HZMBPMFUSA-N 1 0 263.337 2.050 20 10 CECDRO COc1cc(C[N@@H+]2CCCOC[C@@H]2C)c(O)cc1C ZINC000768463637 646126472 /nfs/dbraw/zinc/12/64/72/646126472.db2.gz VFYNOOTVVLYMGK-LBPRGKRZSA-N 1 0 265.353 2.320 20 10 CECDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768464005 646126749 /nfs/dbraw/zinc/12/67/49/646126749.db2.gz YTWMQEVAEFLGPZ-FZMZJTMJSA-N 1 0 295.404 2.145 20 10 CECDRO COc1cccc(O)c1C[N@H+]1CCC[C@H](OC)C1 ZINC000768755170 646158991 /nfs/dbraw/zinc/15/89/91/646158991.db2.gz VXQBCIQCPUVDPV-NSHDSACASA-N 1 0 251.326 2.012 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000769101694 646206419 /nfs/dbraw/zinc/20/64/19/646206419.db2.gz UJDYSRWCKMZKDV-LLVKDONJSA-N 1 0 265.353 2.400 20 10 CECDRO CCOc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)c(O)c1 ZINC000769311607 646242753 /nfs/dbraw/zinc/24/27/53/646242753.db2.gz NHIVEFIUHDLYKP-GFCCVEGCSA-N 1 0 279.380 2.384 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCO[C@H](C)[C@H]2C)c(O)c1 ZINC000769423470 646264190 /nfs/dbraw/zinc/26/41/90/646264190.db2.gz RXKLZSJAXJBCQB-VXGBXAGGSA-N 1 0 265.353 2.400 20 10 CECDRO C[N@H+](Cc1ccc[nH]1)Cc1cc2c(cc1O)OCO2 ZINC000769544107 646284609 /nfs/dbraw/zinc/28/46/09/646284609.db2.gz ULLREPBOFCHSCP-UHFFFAOYSA-N 1 0 260.293 2.081 20 10 CECDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(OCC)cc1O ZINC000769937160 646336548 /nfs/dbraw/zinc/33/65/48/646336548.db2.gz NJBJYWJGKHXANV-DXTPNHAXSA-N 1 0 265.353 2.208 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)CC(C)(C)OC ZINC000770316166 646378197 /nfs/dbraw/zinc/37/81/97/646378197.db2.gz CHCIYQDUTLYFJA-UHFFFAOYSA-N 1 0 253.342 2.258 20 10 CECDRO C[C@@H](O)CC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862246637 646379693 /nfs/dbraw/zinc/37/96/93/646379693.db2.gz LSQGBFMRPWCNEF-SNVBAGLBSA-N 1 0 272.339 2.234 20 10 CECDRO CN(C)c1cc(F)c(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1F ZINC000862375081 646424748 /nfs/dbraw/zinc/42/47/48/646424748.db2.gz WTUYTEKADLLUKK-BZNIZROVSA-N 1 0 295.377 2.167 20 10 CECDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000862387151 646431200 /nfs/dbraw/zinc/43/12/00/646431200.db2.gz HTDBINNHWCKLLL-GFCCVEGCSA-N 1 0 268.376 2.485 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000770752357 646434472 /nfs/dbraw/zinc/43/44/72/646434472.db2.gz NMLUBMIOKFMOPD-XHDPSFHLSA-N 1 0 297.782 2.473 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)cc1F ZINC000862416058 646450856 /nfs/dbraw/zinc/45/08/56/646450856.db2.gz LOSMWPMYIGVAOA-LRDDRELGSA-N 1 0 296.361 2.499 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H](CO)CCC(C)C)cc1OC ZINC000862480942 646474813 /nfs/dbraw/zinc/47/48/13/646474813.db2.gz PMDZHPYVEYDJBM-CYBMUJFWSA-N 1 0 297.395 2.296 20 10 CECDRO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000862487104 646477114 /nfs/dbraw/zinc/47/71/14/646477114.db2.gz MAVLDLRAWQBBAZ-OAHLLOKOSA-N 1 0 287.359 2.363 20 10 CECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000862487309 646478566 /nfs/dbraw/zinc/47/85/66/646478566.db2.gz OILFZQUZMPMLNL-ZDUSSCGKSA-N 1 0 291.347 2.142 20 10 CECDRO C[C@@H]1CC[C@H](NCc2ccc(N(C)C)c(F)c2)C[NH2+]1 ZINC000863484252 646740482 /nfs/dbraw/zinc/74/04/82/646740482.db2.gz IOYIEKYRHGTKBV-YPMHNXCESA-N 1 0 265.376 2.122 20 10 CECDRO CCN(C)c1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000773733567 646771189 /nfs/dbraw/zinc/77/11/89/646771189.db2.gz JRBDDKCEHVWVCF-UHFFFAOYSA-N 1 0 261.413 2.280 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1 ZINC000773748596 646772078 /nfs/dbraw/zinc/77/20/78/646772078.db2.gz OWDXCBQZZHSFNU-INIZCTEOSA-N 1 0 289.423 2.373 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CCCO)C2CC2)cc1 ZINC000773752774 646772593 /nfs/dbraw/zinc/77/25/93/646772593.db2.gz JXLMNYMLGQARDE-UHFFFAOYSA-N 1 0 262.397 2.490 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CCO)C2CCOCC2)cc1 ZINC000773887092 646784691 /nfs/dbraw/zinc/78/46/91/646784691.db2.gz AYNHYROITWDSBH-UHFFFAOYSA-N 1 0 292.423 2.116 20 10 CECDRO CC[C@H]([NH2+]C[C@](C)(O)COC)c1cc(Cl)ccc1O ZINC000775504284 646960577 /nfs/dbraw/zinc/96/05/77/646960577.db2.gz XHFFVYLNBHNNHP-JSGCOSHPSA-N 1 0 287.787 2.484 20 10 CECDRO CCO[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000775634915 646974222 /nfs/dbraw/zinc/97/42/22/646974222.db2.gz ZMWMXHABRIBLRT-CYBMUJFWSA-N 1 0 295.379 2.410 20 10 CECDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1ccc2c(c1)CCCN2C ZINC000864457812 647012420 /nfs/dbraw/zinc/01/24/20/647012420.db2.gz UZCSHDRFYJGLAO-RISCZKNCSA-N 1 0 272.396 2.091 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)c1 ZINC000775985717 647013070 /nfs/dbraw/zinc/01/30/70/647013070.db2.gz NEYIFYGBNAPILA-QWHCGFSZSA-N 1 0 278.396 2.315 20 10 CECDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000864470516 647024025 /nfs/dbraw/zinc/02/40/25/647024025.db2.gz ZWHFVUORCSGADH-GMSGAONNSA-N 1 0 253.733 2.068 20 10 CECDRO CC[C@]1(O)CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000779220127 647298545 /nfs/dbraw/zinc/29/85/45/647298545.db2.gz XXSLLZFRLFADFY-HNNXBMFYSA-N 1 0 266.360 2.239 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)[C@H](O)C(F)(F)F ZINC000865711811 647434226 /nfs/dbraw/zinc/43/42/26/647434226.db2.gz RBBUYFJXUDIPQW-LDWIPMOCSA-N 1 0 283.677 2.447 20 10 CECDRO CCOc1ccc(C[NH2+]CC2(N(C)C)CCC2)c(O)c1 ZINC000782536149 647635531 /nfs/dbraw/zinc/63/55/31/647635531.db2.gz PDNFDAAMEXGAKM-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccccc1O ZINC000783507885 647722859 /nfs/dbraw/zinc/72/28/59/647722859.db2.gz CAIDFDZUUADXNL-OLZOCXBDSA-N 1 0 265.353 2.096 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000783732462 647753377 /nfs/dbraw/zinc/75/33/77/647753377.db2.gz CKTBYSCTQWMTGP-WBVHZDCISA-N 1 0 274.408 2.347 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1O ZINC000866447008 647791050 /nfs/dbraw/zinc/79/10/50/647791050.db2.gz VWBURGRUHZPJHT-JQAAFSFCSA-N 1 0 289.375 2.475 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1O ZINC000866497671 647806836 /nfs/dbraw/zinc/80/68/36/647806836.db2.gz OUBJQBIGWXNHIS-ZWKOPEQDSA-N 1 0 285.771 2.154 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@]2(C)CCO[C@@H]2C)c1 ZINC000784641357 647871855 /nfs/dbraw/zinc/87/18/55/647871855.db2.gz XQAWSJTWWIVMJA-IAQYHMDHSA-N 1 0 265.353 2.448 20 10 CECDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000794705800 648905522 /nfs/dbraw/zinc/90/55/22/648905522.db2.gz QYLYMBVQLPHUQJ-PBHICJAKSA-N 1 0 291.391 2.389 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)CC[NH2+]CC2CC2)cc1 ZINC000870855720 648934928 /nfs/dbraw/zinc/93/49/28/648934928.db2.gz JMIXNIQGHYGMHC-UHFFFAOYSA-N 1 0 289.423 2.101 20 10 CECDRO C[C@H](NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1ccccc1O ZINC000870988475 648971207 /nfs/dbraw/zinc/97/12/07/648971207.db2.gz QPFKKVBWPMONMD-DETPVDSQSA-N 1 0 276.380 2.477 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873155921 649573599 /nfs/dbraw/zinc/57/35/99/649573599.db2.gz IJHIKVCNXZYUGX-TYNCELHUSA-N 1 0 277.364 2.448 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1C[C@@H]3CCC[C@@H]3O1)OCO2 ZINC000873156927 649574479 /nfs/dbraw/zinc/57/44/79/649574479.db2.gz OVIZPIVZNQJYQO-JKOKRWQUSA-N 1 0 291.347 2.168 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C[NH3+] ZINC000873215362 649593005 /nfs/dbraw/zinc/59/30/05/649593005.db2.gz DFUSTYCPANSJFN-PSASIEDQSA-N 1 0 272.751 2.211 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873232025 649603610 /nfs/dbraw/zinc/60/36/10/649603610.db2.gz TYMYMJHVAJHBLX-SJORKVTESA-N 1 0 273.424 2.435 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000873860247 649727198 /nfs/dbraw/zinc/72/71/98/649727198.db2.gz GESDUVGQJQTQQJ-HNNXBMFYSA-N 1 0 289.423 2.053 20 10 CECDRO COc1ccc(N2CC[NH+](CCCF)CC2)c(OC)c1 ZINC000879461901 651306761 /nfs/dbraw/zinc/30/67/61/651306761.db2.gz ISNBFAGSSFIOSO-UHFFFAOYSA-N 1 0 282.359 2.185 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1ccccc1O ZINC000879650911 651335750 /nfs/dbraw/zinc/33/57/50/651335750.db2.gz WLEWJUVRPTZGFJ-QWRGUYRKSA-N 1 0 261.321 2.139 20 10 CECDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000879651757 651336149 /nfs/dbraw/zinc/33/61/49/651336149.db2.gz JURGEQLKMRCNIW-GRYCIOLGSA-N 1 0 264.369 2.346 20 10 CECDRO CC[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(C)cc1O ZINC000883375279 652448444 /nfs/dbraw/zinc/44/84/44/652448444.db2.gz IFMDLCBCUIDFSW-OBJOEFQTSA-N 1 0 297.420 2.317 20 10 CECDRO Cc1ccc(C(=O)OCCC[NH+]2CCCC2)c(O)c1O ZINC000800156810 652666456 /nfs/dbraw/zinc/66/64/56/652666456.db2.gz AMHBTDHIYHMNDM-UHFFFAOYSA-N 1 0 279.336 2.049 20 10 CECDRO Cc1cccc(C[NH2+]CCC(=O)N2CCCCC2)c1O ZINC000135756813 652985687 /nfs/dbraw/zinc/98/56/87/652985687.db2.gz MGUVXBXZLKDKSF-UHFFFAOYSA-N 1 0 276.380 2.193 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204782772 805954958 /nfs/dbraw/zinc/95/49/58/805954958.db2.gz IYOUBNBEYPWPJJ-INIZCTEOSA-N 1 0 277.412 2.162 20 10 CECDRO Oc1cc(F)c(F)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001142520756 806614347 /nfs/dbraw/zinc/61/43/47/806614347.db2.gz PIIMIILEGNQSAD-GFCCVEGCSA-N 1 0 282.334 2.341 20 10 CECDRO Oc1cc(F)c(F)cc1CN1CC[NH+](C2CCC2)CC1 ZINC001142509006 806609167 /nfs/dbraw/zinc/60/91/67/806609167.db2.gz SSRGFQIHNNNSTP-UHFFFAOYSA-N 1 0 282.334 2.341 20 10 CECDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](C)C(=O)OC ZINC001208721799 802403910 /nfs/dbraw/zinc/40/39/10/802403910.db2.gz ASPZBBFVZBQPMM-LLVKDONJSA-N 1 0 251.326 2.023 20 10 CECDRO CC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140059183 802551619 /nfs/dbraw/zinc/55/16/19/802551619.db2.gz XNNQLRPFPDLCMN-NSHDSACASA-N 1 0 251.301 2.332 20 10 CECDRO C[C@@H](O)C(C)(C)[NH2+]Cc1c(O)cccc1Br ZINC000706875245 802847778 /nfs/dbraw/zinc/84/77/78/802847778.db2.gz ROCLDPUIRMJJLR-MRVPVSSYSA-N 1 0 288.185 2.404 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCO[C@@H]2CC2(F)F)c1 ZINC000690723710 802880973 /nfs/dbraw/zinc/88/09/73/802880973.db2.gz BTMDVXDVCOVHHI-GFCCVEGCSA-N 1 0 257.280 2.214 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)CC[C@H]1O ZINC001140462897 802936948 /nfs/dbraw/zinc/93/69/48/802936948.db2.gz NPDZMEOTBDZKMQ-JOYOIKCWSA-N 1 0 255.745 2.248 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c(O)c1 ZINC000723880177 802960854 /nfs/dbraw/zinc/96/08/54/802960854.db2.gz YWVWMSDLVKSDNN-LBPRGKRZSA-N 1 0 299.436 2.422 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)C2=CCCC2)cc1C ZINC001125645125 803240133 /nfs/dbraw/zinc/24/01/33/803240133.db2.gz BTIXJGRVKAESRO-UHFFFAOYSA-N 1 0 288.391 2.320 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC001140622616 803245934 /nfs/dbraw/zinc/24/59/34/803245934.db2.gz CEFNOINTKIPCCT-ZDUSSCGKSA-N 1 0 282.334 2.226 20 10 CECDRO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000693857572 803366526 /nfs/dbraw/zinc/36/65/26/803366526.db2.gz VAJGGZVPDLPCLX-CYBMUJFWSA-N 1 0 266.360 2.494 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc2ccccc2c1O ZINC000693853281 803368260 /nfs/dbraw/zinc/36/82/60/803368260.db2.gz WRAKAHLWRRUQOP-YGRLFVJLSA-N 1 0 270.332 2.085 20 10 CECDRO CCN1CC[C@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000712597701 814756509 /nfs/dbraw/zinc/75/65/09/814756509.db2.gz ZYEUWIGBXLWVBD-JTQLQIEISA-N 1 0 299.212 2.339 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCN(C(C)C)C2=O)cc1C ZINC000708677172 803467244 /nfs/dbraw/zinc/46/72/44/803467244.db2.gz ZBYPMMBYNBBCQQ-AWEZNQCLSA-N 1 0 276.380 2.103 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(O)c1 ZINC000724814323 803489821 /nfs/dbraw/zinc/48/98/21/803489821.db2.gz NAKPKNHEBWDAEK-WFASDCNBSA-N 1 0 263.337 2.012 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c1 ZINC000724815039 803496141 /nfs/dbraw/zinc/49/61/41/803496141.db2.gz ZWURIQLTZDGMQO-NHYWBVRUSA-N 1 0 263.337 2.012 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)c1 ZINC000694591015 803571426 /nfs/dbraw/zinc/57/14/26/803571426.db2.gz QLWZERXJCDYRFJ-OLZOCXBDSA-N 1 0 297.420 2.319 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1O ZINC000690800023 803616864 /nfs/dbraw/zinc/61/68/64/803616864.db2.gz WORUMWIYSBTYKI-GJZGRUSLSA-N 1 0 261.365 2.423 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2COC(C)(C)C2)c1O ZINC000396546022 803740240 /nfs/dbraw/zinc/74/02/40/803740240.db2.gz MWVHKQCPVWVHEM-LBPRGKRZSA-N 1 0 265.353 2.448 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1 ZINC000037152507 815017838 /nfs/dbraw/zinc/01/78/38/815017838.db2.gz WCNOCDDWZMFMJN-UNXYVOJBSA-N 1 0 292.379 2.096 20 10 CECDRO Cc1cn[nH]c1C[NH2+]Cc1cc(Br)ccc1O ZINC000716455001 815125468 /nfs/dbraw/zinc/12/54/68/815125468.db2.gz XUUCWQUFLGUUJY-UHFFFAOYSA-N 1 0 296.168 2.476 20 10 CECDRO [NH3+][C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001205124371 807720582 /nfs/dbraw/zinc/72/05/82/807720582.db2.gz PKQMAXGLAVCOGR-NSHDSACASA-N 1 0 272.751 2.498 20 10 CECDRO C[C@H](CCO)[NH2+]Cc1ccc(Br)cc1O ZINC000691405461 807878722 /nfs/dbraw/zinc/87/87/22/807878722.db2.gz UTWRCUVTCOGPSO-MRVPVSSYSA-N 1 0 274.158 2.015 20 10 CECDRO CCC1([NH3+])CN(Cc2cc(Br)cc(C)c2O)C1 ZINC001236187069 808008928 /nfs/dbraw/zinc/00/89/28/808008928.db2.gz XXKAHQOQWCNSBG-UHFFFAOYSA-N 1 0 299.212 2.386 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(Cl)c1 ZINC001236800515 808167469 /nfs/dbraw/zinc/16/74/69/808167469.db2.gz ZYEBYKYGDUQXMT-TVQRCGJNSA-N 1 0 285.771 2.257 20 10 CECDRO Nc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2NC3=O)cc1 ZINC001120370947 815217125 /nfs/dbraw/zinc/21/71/25/815217125.db2.gz KMMPKJCGAQKMKG-SFHVURJKSA-N 1 0 293.370 2.365 20 10 CECDRO OC1(CC[NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC000922120401 809030933 /nfs/dbraw/zinc/03/09/33/809030933.db2.gz FXMMUFMCOUWXPH-UHFFFAOYSA-N 1 0 291.391 2.033 20 10 CECDRO CN1CC[C@]2(CC[N@H+](Cc3c(O)cccc3Cl)C2)C1=O ZINC001273108627 809219924 /nfs/dbraw/zinc/21/99/24/809219924.db2.gz WMVUWGHXRYGYHM-OAHLLOKOSA-N 1 0 294.782 2.100 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2c([O-])cccc2F)[C@@H]1CO ZINC001137831729 809483189 /nfs/dbraw/zinc/48/31/89/809483189.db2.gz LHTUIXJDOKLLIL-ZWNOBZJWSA-N 1 0 253.317 2.124 20 10 CECDRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000704430764 809733892 /nfs/dbraw/zinc/73/38/92/809733892.db2.gz XGCXJQKJFJSBMO-OAHLLOKOSA-N 1 0 277.412 2.132 20 10 CECDRO CC[C@@](C)(O)C[NH2+]Cc1c(O)cccc1Br ZINC000706883697 809864524 /nfs/dbraw/zinc/86/45/24/809864524.db2.gz VXDNCTPCRCFPGE-GFCCVEGCSA-N 1 0 288.185 2.405 20 10 CECDRO OC[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000707674270 809917219 /nfs/dbraw/zinc/91/72/19/809917219.db2.gz SKZSPTUQGKYUTR-DKTWLAJQSA-N 1 0 286.169 2.015 20 10 CECDRO C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708501078 809943862 /nfs/dbraw/zinc/94/38/62/809943862.db2.gz ASMOQKSFEYDFNS-SNVBAGLBSA-N 1 0 270.323 2.102 20 10 CECDRO CCc1cccc(C[NH2+]CCn2ccnc2C)c1O ZINC000709420165 809961414 /nfs/dbraw/zinc/96/14/14/809961414.db2.gz XCQLCCCTNIZQBT-UHFFFAOYSA-N 1 0 259.353 2.249 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2(O)CCC(C)CC2)c1 ZINC000087044000 810111094 /nfs/dbraw/zinc/11/10/94/810111094.db2.gz IDTAUKGHFBBNNS-UHFFFAOYSA-N 1 0 279.380 2.432 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000606445382 810246702 /nfs/dbraw/zinc/24/67/02/810246702.db2.gz COIWCSHGOACOKG-QWHCGFSZSA-N 1 0 297.420 2.146 20 10 CECDRO COc1ccc(C[NH2+]C/C=C/C2CC2)c(O)c1OC ZINC001120056493 810584205 /nfs/dbraw/zinc/58/42/05/810584205.db2.gz BPHMSRBWLCXREX-ONEGZZNKSA-N 1 0 263.337 2.465 20 10 CECDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000829431591 810869364 /nfs/dbraw/zinc/86/93/64/810869364.db2.gz ISZSPOWFXDWUDC-KCJUWKMLSA-N 1 0 286.169 2.279 20 10 CECDRO CCOCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC001172406577 815408073 /nfs/dbraw/zinc/40/80/73/815408073.db2.gz NEGFCIKKPVPJJN-OAHLLOKOSA-N 1 0 292.423 2.428 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)[C@H](C)C2)cc1C ZINC001044391924 811480742 /nfs/dbraw/zinc/48/07/42/811480742.db2.gz AIGBKMDZMVZKMS-CZUORRHYSA-N 1 0 290.407 2.493 20 10 CECDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(Br)cc1O ZINC000691452238 811858354 /nfs/dbraw/zinc/85/83/54/811858354.db2.gz FFLLXVLWKYXVCO-GFCCVEGCSA-N 1 0 288.185 2.405 20 10 CECDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(Br)cc1O ZINC000691456340 811861550 /nfs/dbraw/zinc/86/15/50/811861550.db2.gz SWNAGDTUGQZSPP-VIFPVBQESA-N 1 0 287.201 2.194 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000770380098 811921374 /nfs/dbraw/zinc/92/13/74/811921374.db2.gz LJKHXJOSKWXAJB-ZANVPECISA-N 1 0 255.745 2.248 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](CCO)C(C)C)c1O ZINC000691483480 811925134 /nfs/dbraw/zinc/92/51/34/811925134.db2.gz PJWMSQAYUAWGBX-AWEZNQCLSA-N 1 0 251.370 2.451 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc(C)n2C)c1 ZINC000689239889 812144624 /nfs/dbraw/zinc/14/46/24/812144624.db2.gz PBCWMBIJNVTWSO-SNVBAGLBSA-N 1 0 275.352 2.294 20 10 CECDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CCO1 ZINC001170178957 812326028 /nfs/dbraw/zinc/32/60/28/812326028.db2.gz RVHLZODEAIWGIS-RYUDHWBXSA-N 1 0 251.326 2.145 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCc2ccc(C)cn2)c1 ZINC000689503575 812480758 /nfs/dbraw/zinc/48/07/58/812480758.db2.gz JUZHKUZXFATBGY-UHFFFAOYSA-N 1 0 272.348 2.437 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)[C@@H](C)O)cc1 ZINC000387040617 813197670 /nfs/dbraw/zinc/19/76/70/813197670.db2.gz RPPRNDISVDOUGQ-CHWSQXEVSA-N 1 0 250.386 2.392 20 10 CECDRO CCOc1cccc(C[N@H+](CC)[C@@H]2CCOC2)c1O ZINC000388696610 813241042 /nfs/dbraw/zinc/24/10/42/813241042.db2.gz FDZIXGAFWJMAHR-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCN(C3CC3)C1)CC2 ZINC000389088051 813246720 /nfs/dbraw/zinc/24/67/20/813246720.db2.gz FYPYJFSWNCJGBK-OCCSQVGLSA-N 1 0 258.365 2.206 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CCc1cnccn1 ZINC000390059962 813259319 /nfs/dbraw/zinc/25/93/19/813259319.db2.gz PQABEBKOSNKJCX-UHFFFAOYSA-N 1 0 263.728 2.168 20 10 CECDRO C[C@H]([NH2+]CC1(N(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000398013613 813651909 /nfs/dbraw/zinc/65/19/09/813651909.db2.gz ZUCUDBKOCSZQFV-ZDUSSCGKSA-N 1 0 261.413 2.497 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CC[C@@H](C)O2)c1 ZINC000398118645 813657227 /nfs/dbraw/zinc/65/72/27/813657227.db2.gz ADXOPCLWVNDLCV-ZWNOBZJWSA-N 1 0 251.326 2.058 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000689583940 813970113 /nfs/dbraw/zinc/97/01/13/813970113.db2.gz KQVKNXAIQAIXOC-LLVKDONJSA-N 1 0 266.341 2.049 20 10 CECDRO CC[N@H+](Cc1ccncc1)Cc1c(O)cc(O)cc1O ZINC001144499814 814089600 /nfs/dbraw/zinc/08/96/00/814089600.db2.gz JVSHBXUWDMWRHL-UHFFFAOYSA-N 1 0 274.320 2.221 20 10 CECDRO Oc1cc(O)c(CN2CCCCC(F)(F)C2)c(O)c1 ZINC001144500655 814091281 /nfs/dbraw/zinc/09/12/81/814091281.db2.gz YCTBTXSCUASPJN-UHFFFAOYSA-N 1 0 273.279 2.425 20 10 CECDRO Oc1cc(O)c(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(O)c1 ZINC001144504295 814092887 /nfs/dbraw/zinc/09/28/87/814092887.db2.gz OMLJQCFPMMOMGO-KCJUWKMLSA-N 1 0 285.290 2.281 20 10 CECDRO CO[C@H]1CCC[C@@H]2C[N@H+](Cc3c(O)cc(O)cc3O)C[C@@H]21 ZINC001144507888 814094340 /nfs/dbraw/zinc/09/43/40/814094340.db2.gz DWPQFFDLDQROST-XAGWURHQSA-N 1 0 293.363 2.050 20 10 CECDRO CC1(C)CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509432 814097890 /nfs/dbraw/zinc/09/78/90/814097890.db2.gz WMBSRWZKAMVVRS-UHFFFAOYSA-N 1 0 251.326 2.425 20 10 CECDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144514698 814098650 /nfs/dbraw/zinc/09/86/50/814098650.db2.gz OZCNASAEGSNKBK-AWEZNQCLSA-N 1 0 281.352 2.193 20 10 CECDRO CCOCC[NH+](CCOCC)Cc1cc(F)ccc1O ZINC000233731602 814333385 /nfs/dbraw/zinc/33/33/85/814333385.db2.gz WECLFLCSBXDBDQ-UHFFFAOYSA-N 1 0 285.359 2.406 20 10 CECDRO Cc1n[nH]c(=O)c(C[NH2+][C@@H](C)c2cc(F)ccc2O)c1C ZINC001116568901 814865894 /nfs/dbraw/zinc/86/58/94/814865894.db2.gz VZIUCXZKDKZOQJ-JTQLQIEISA-N 1 0 291.326 2.495 20 10 CECDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC001116771996 814881959 /nfs/dbraw/zinc/88/19/59/814881959.db2.gz XUXCIMFTQQNLNM-LSDHHAIUSA-N 1 0 276.380 2.184 20 10 CECDRO Cc1c(C[NH+]2CCC(O)CC2)c2ccccc2n1C ZINC001138252844 815754562 /nfs/dbraw/zinc/75/45/62/815754562.db2.gz WNVXWCOFVVAZRQ-UHFFFAOYSA-N 1 0 258.365 2.443 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@H](CO)C2)c2ccccc2n1C ZINC001138257025 815756108 /nfs/dbraw/zinc/75/61/08/815756108.db2.gz SJISQTSTLVLIED-ZDUSSCGKSA-N 1 0 258.365 2.301 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CC[C@](C)(CO)C3)ccc21 ZINC001138355002 815774328 /nfs/dbraw/zinc/77/43/28/815774328.db2.gz YEYPZQCUZGQVKD-KRWDZBQOSA-N 1 0 274.408 2.273 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)cc1 ZINC001206222926 815937334 /nfs/dbraw/zinc/93/73/34/815937334.db2.gz RFTPHLABHKKWNA-CYBMUJFWSA-N 1 0 287.329 2.218 20 10 CECDRO COc1cc(CN2C[C@@H](C)[C@@H](F)C2)cc(C[NH+](C)C)c1O ZINC001139253335 815997159 /nfs/dbraw/zinc/99/71/59/815997159.db2.gz RDIFNHKTEWRYIO-RISCZKNCSA-N 1 0 296.386 2.252 20 10 CECDRO COC(=O)c1ccc(Nc2cc[nH+]c(C)c2)c(O)c1 ZINC001174657393 816068783 /nfs/dbraw/zinc/06/87/83/816068783.db2.gz UVSSYXORWISPCB-UHFFFAOYSA-N 1 0 258.277 2.048 20 10 CECDRO COC(=O)CC1C[NH+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139672878 816076565 /nfs/dbraw/zinc/07/65/65/816076565.db2.gz LGXLZZCASUPWIB-UHFFFAOYSA-N 1 0 276.380 2.056 20 10 CECDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)ccc3O)C[C@@H]21 ZINC001140060254 816180833 /nfs/dbraw/zinc/18/08/33/816180833.db2.gz RHSIUHYZUFBORW-RISCZKNCSA-N 1 0 264.344 2.057 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001140059156 816180861 /nfs/dbraw/zinc/18/08/61/816180861.db2.gz WFKYVUQCYORJOS-PHIMTYICSA-N 1 0 287.281 2.245 20 10 CECDRO C[C@@H]([NH2+]CCc1ccc(C(N)=O)cc1)c1ccccc1O ZINC001175418098 816195473 /nfs/dbraw/zinc/19/54/73/816195473.db2.gz DQETVSKTUYFTAD-GFCCVEGCSA-N 1 0 284.359 2.384 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCc3ncncc3C2)c1O ZINC001140181434 816205608 /nfs/dbraw/zinc/20/56/08/816205608.db2.gz BICRAJINGUOZNW-UHFFFAOYSA-N 1 0 269.348 2.357 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CC(N3CC[C@H](F)C3)C2)c1O ZINC001140182210 816205724 /nfs/dbraw/zinc/20/57/24/816205724.db2.gz KODJASHGZQJXDF-ZDUSSCGKSA-N 1 0 278.371 2.237 20 10 CECDRO O=C1COC2(C1)CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC001140337708 816238847 /nfs/dbraw/zinc/23/88/47/816238847.db2.gz AFLKGBAFDYTOLM-UHFFFAOYSA-N 1 0 295.766 2.370 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3nccnc3C)C2)c1 ZINC001140624100 816305804 /nfs/dbraw/zinc/30/58/04/816305804.db2.gz GGGXMDBMOXHMLL-HNNXBMFYSA-N 1 0 299.374 2.452 20 10 CECDRO COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140620891 816306185 /nfs/dbraw/zinc/30/61/85/816306185.db2.gz FIEDUEXGEDWVFV-OLZOCXBDSA-N 1 0 277.364 2.474 20 10 CECDRO OCc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)o1 ZINC001140683345 816320065 /nfs/dbraw/zinc/32/00/65/816320065.db2.gz XLQQQIPIAPTMSV-UHFFFAOYSA-N 1 0 259.305 2.036 20 10 CECDRO Cc1c(O)ccc(CN2CC[C@@H]([N@H+](C)C3CC3)C2)c1O ZINC001140747510 816340552 /nfs/dbraw/zinc/34/05/52/816340552.db2.gz CJYHRHSVTLWTFX-CQSZACIVSA-N 1 0 276.380 2.075 20 10 CECDRO Cc1c(O)ccc(CN2CCC([N@H+](C)C3CC3)CC2)c1O ZINC001140747723 816340757 /nfs/dbraw/zinc/34/07/57/816340757.db2.gz JPZVCGVUVZLMJQ-UHFFFAOYSA-N 1 0 290.407 2.465 20 10 CECDRO CCCO[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140745345 816341716 /nfs/dbraw/zinc/34/17/16/816341716.db2.gz GNLCUVPCVTYKLP-CYBMUJFWSA-N 1 0 265.353 2.407 20 10 CECDRO CCN(CC)c1ccc(C[NH+]2CCC(CO)CC2)c(O)c1 ZINC001140853003 816382255 /nfs/dbraw/zinc/38/22/55/816382255.db2.gz IWRCMISDHQETTO-UHFFFAOYSA-N 1 0 292.423 2.443 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c(O)c1 ZINC001140850222 816382891 /nfs/dbraw/zinc/38/28/91/816382891.db2.gz HBGUCTFUJVFZFX-ZFWWWQNUSA-N 1 0 296.386 2.143 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001140850071 816383015 /nfs/dbraw/zinc/38/30/15/816383015.db2.gz CHQZWSWLAALAJP-ZBFHGGJFSA-N 1 0 296.386 2.143 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](O)C2)c(O)c1 ZINC001140850061 816383721 /nfs/dbraw/zinc/38/37/21/816383721.db2.gz CBDQTZSIBDCIGF-HNNXBMFYSA-N 1 0 278.396 2.195 20 10 CECDRO CN(C)c1ccc(CN(C)CC[NH+](C)C)c(Cl)c1 ZINC001140921813 816411116 /nfs/dbraw/zinc/41/11/16/816411116.db2.gz QZAKCRDKQUFHHM-UHFFFAOYSA-N 1 0 269.820 2.399 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140948023 816422128 /nfs/dbraw/zinc/42/21/28/816422128.db2.gz PYVZZEXHQIKYJQ-TZMCWYRMSA-N 1 0 277.364 2.474 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(OC)c1 ZINC001141029337 816450396 /nfs/dbraw/zinc/45/03/96/816450396.db2.gz QDYBVCHWYVVTIA-KWBADKCTSA-N 1 0 281.327 2.342 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@H](C)C2)c(OC)c1 ZINC001141031360 816450626 /nfs/dbraw/zinc/45/06/26/816450626.db2.gz DKIDWPVTVDAVEH-JTQLQIEISA-N 1 0 251.326 2.251 20 10 CECDRO CN1CCOc2cc(C[N@H+](C)[C@@H]3CCCOC3)ccc21 ZINC001141145442 816487190 /nfs/dbraw/zinc/48/71/90/816487190.db2.gz CXCCPWFILWFOIT-CQSZACIVSA-N 1 0 276.380 2.126 20 10 CECDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141160081 816491782 /nfs/dbraw/zinc/49/17/82/816491782.db2.gz QIPLQGDWQYOAQG-CQSZACIVSA-N 1 0 265.353 2.487 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC001141161244 816492263 /nfs/dbraw/zinc/49/22/63/816492263.db2.gz PVHYVLLJHTYQCS-OAHLLOKOSA-N 1 0 263.337 2.100 20 10 CECDRO Oc1ccc(O)c(C[NH+]2CCC3(CCCOC3)CC2)c1 ZINC001141161987 816492495 /nfs/dbraw/zinc/49/24/95/816492495.db2.gz IRUYMUFZGYZYEB-UHFFFAOYSA-N 1 0 277.364 2.490 20 10 CECDRO CC(C)[N@H+](Cc1cc(O)ccc1O)C1CCOCC1 ZINC001141163309 816493609 /nfs/dbraw/zinc/49/36/09/816493609.db2.gz ZJCHPUURNUERAQ-UHFFFAOYSA-N 1 0 265.353 2.487 20 10 CECDRO Cc1cccc(C[NH2+]C2CCN(C3CC3)CC2)c1O ZINC000124680685 365656446 /nfs/dbraw/zinc/65/64/46/365656446.db2.gz FVIKPVXPJPRFMZ-UHFFFAOYSA-N 1 0 260.381 2.417 20 10 CECDRO CCOc1cccc(C[NH+]2CCC([C@H](C)O)CC2)c1O ZINC000092969899 344208550 /nfs/dbraw/zinc/20/85/50/344208550.db2.gz KYVOUBKGEUSDQC-LBPRGKRZSA-N 1 0 279.380 2.384 20 10 CECDRO CN(C)c1ccc(C[N@H+](CCO)Cc2cccnc2)cc1 ZINC000093085558 344213388 /nfs/dbraw/zinc/21/33/88/344213388.db2.gz XQBFZQNZFQXLTH-UHFFFAOYSA-N 1 0 285.391 2.142 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](OC)C2)c1 ZINC000091772787 364072395 /nfs/dbraw/zinc/07/23/95/364072395.db2.gz GVFINSWOBLCLGE-AWEZNQCLSA-N 1 0 265.353 2.402 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@H](C)O1 ZINC000092487379 364076815 /nfs/dbraw/zinc/07/68/15/364076815.db2.gz MZLCGXNSFACEQF-AAEUAGOBSA-N 1 0 265.353 2.400 20 10 CECDRO CN(C)c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC000093479609 364190534 /nfs/dbraw/zinc/19/05/34/364190534.db2.gz WRZWXQQJTBQQCA-FKEKPDDDSA-N 1 0 274.408 2.345 20 10 CECDRO COc1cccc(C[NH2+]Cc2cnccc2C)c1O ZINC000162629453 367175129 /nfs/dbraw/zinc/17/51/29/367175129.db2.gz GVQMNEYAWQIMON-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@H]2CCOC2)c1O ZINC000163076588 367216605 /nfs/dbraw/zinc/21/66/05/367216605.db2.gz QPLCXMDQVCOHQC-KOLCDFICSA-N 1 0 281.327 2.249 20 10 CECDRO CC[NH+](CC)[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000179915618 368358748 /nfs/dbraw/zinc/35/87/48/368358748.db2.gz JHTPNUKDYIMTEX-AWEZNQCLSA-N 1 0 266.360 2.447 20 10 CECDRO CCCCC[N@H+](CC(N)=O)Cc1cccc(C)c1O ZINC000180803753 368396945 /nfs/dbraw/zinc/39/69/45/368396945.db2.gz XSGADWKYLDZJPM-UHFFFAOYSA-N 1 0 264.369 2.178 20 10 CECDRO CCOC[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180241532 368375033 /nfs/dbraw/zinc/37/50/33/368375033.db2.gz LOFHKFZWAMGOGL-NSHDSACASA-N 1 0 253.317 2.390 20 10 CECDRO Cc1cc(Cl)cc(CN2CCO[C@]3(CCOC3)C2)c1O ZINC000187536030 369173816 /nfs/dbraw/zinc/17/38/16/369173816.db2.gz XWDKPWYKKCEYHZ-OAHLLOKOSA-N 1 0 297.782 2.345 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C[C@H]1C ZINC000188118404 369300588 /nfs/dbraw/zinc/30/05/88/369300588.db2.gz MAGWYKDXVCDNSP-OCCSQVGLSA-N 1 0 277.364 2.332 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@H](COC)C2)c1 ZINC000188391413 369349510 /nfs/dbraw/zinc/34/95/10/369349510.db2.gz TYBFXEYQZACIBL-WFASDCNBSA-N 1 0 295.379 2.027 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](OCCOC)C2)c1 ZINC000188814517 369412071 /nfs/dbraw/zinc/41/20/71/369412071.db2.gz XDCXFGWPJWZYRH-HNNXBMFYSA-N 1 0 295.379 2.028 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Cl)ccc1O ZINC000188998852 369439429 /nfs/dbraw/zinc/43/94/29/369439429.db2.gz DGOVIDMLXGAOSZ-BDAKNGLRSA-N 1 0 270.760 2.173 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1 ZINC000189341582 369501985 /nfs/dbraw/zinc/50/19/85/369501985.db2.gz GYKLGVOEWGYJOK-KBPBESRZSA-N 1 0 265.353 2.040 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(F)ccc1O ZINC000189299950 369492211 /nfs/dbraw/zinc/49/22/11/369492211.db2.gz QEFPFYJKQCYOSA-NHCYSSNCSA-N 1 0 253.317 2.343 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cc(F)ccc1O ZINC000189299928 369492578 /nfs/dbraw/zinc/49/25/78/369492578.db2.gz QEFPFYJKQCYOSA-FOGDFJRCSA-N 1 0 253.317 2.343 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(Cn3cncn3)CC2)cc1 ZINC000189975755 369585167 /nfs/dbraw/zinc/58/51/67/369585167.db2.gz MUEHRPLDBJQHPK-UHFFFAOYSA-N 1 0 299.422 2.256 20 10 CECDRO CCOCCOCC[N@H+](C)Cc1cc(C)ccc1O ZINC000191568529 369722692 /nfs/dbraw/zinc/72/26/92/369722692.db2.gz MRIXSZSEPLUODT-UHFFFAOYSA-N 1 0 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CC[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@]2(CCOC2)O1 ZINC000376635524 268004410 /nfs/dbraw/zinc/00/44/10/268004410.db2.gz WYFYEAXGEKGHOA-GOEBONIOSA-N 1 0 295.354 2.301 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@]2(CCOC2)O1 ZINC000376635523 268004674 /nfs/dbraw/zinc/00/46/74/268004674.db2.gz WYFYEAXGEKGHOA-GDBMZVCRSA-N 1 0 295.354 2.301 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH+]2CCC3(CCO3)CC2)c1O ZINC000377120963 268049527 /nfs/dbraw/zinc/04/95/27/268049527.db2.gz RPFPZFGFBJGJGE-UHFFFAOYSA-N 1 0 293.338 2.489 20 10 CECDRO CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296401110 275455969 /nfs/dbraw/zinc/45/59/69/275455969.db2.gz KIDZLIZYCMALMO-HIFRSBDPSA-N 1 0 288.391 2.228 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CO)CC(C)C)c1O ZINC000040773806 276380322 /nfs/dbraw/zinc/38/03/22/276380322.db2.gz XFXJYDLMDLZJOQ-CYBMUJFWSA-N 1 0 267.369 2.288 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc2ccccc2c1O ZINC000050394346 278382141 /nfs/dbraw/zinc/38/21/41/278382141.db2.gz DADBNXMWLUKFCY-ABAIWWIYSA-N 1 0 284.359 2.475 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1 ZINC000527768499 313201374 /nfs/dbraw/zinc/20/13/74/313201374.db2.gz BLQZWBKAWUEROI-SFHVURJKSA-N 1 0 299.370 2.156 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000090181694 327177575 /nfs/dbraw/zinc/17/75/75/327177575.db2.gz COCMTYZNVRRTET-GXTWGEPZSA-N 1 0 287.407 2.167 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000375078777 329000061 /nfs/dbraw/zinc/00/00/61/329000061.db2.gz KSRFGZDDWOLUFT-UHFFFAOYSA-N 1 0 277.364 2.164 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(F)ccc1O ZINC000377798499 329030105 /nfs/dbraw/zinc/03/01/05/329030105.db2.gz IZXNWXZAUMYTES-GXSJLCMTSA-N 1 0 275.327 2.463 20 10 CECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CC12CC(C1)CO2 ZINC000527792081 330283638 /nfs/dbraw/zinc/28/36/38/330283638.db2.gz YKMSNAOAZVEMJT-UHFFFAOYSA-N 1 0 271.719 2.453 20 10 CECDRO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1ccccc1O ZINC000211568783 333091449 /nfs/dbraw/zinc/09/14/49/333091449.db2.gz CBSUAOHFZPUPPT-DZGCQCFKSA-N 1 0 260.381 2.451 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H](O)CC(C)(C)C)c1 ZINC000224823492 333226351 /nfs/dbraw/zinc/22/63/51/333226351.db2.gz YKXSGTSCEZJMOY-GFCCVEGCSA-N 1 0 267.369 2.288 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCC(C)(C)O)c1O ZINC000274979045 334785858 /nfs/dbraw/zinc/78/58/58/334785858.db2.gz XGZBVSGETDFEAP-UHFFFAOYSA-N 1 0 273.760 2.305 20 10 CECDRO CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000273435737 519659792 /nfs/dbraw/zinc/65/97/92/519659792.db2.gz WYHMMRWEEUZLEO-LBPRGKRZSA-N 1 0 264.369 2.186 20 10 CECDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000279934298 519553123 /nfs/dbraw/zinc/55/31/23/519553123.db2.gz YJDANEUXBLSQDM-OAHLLOKOSA-N 1 0 290.407 2.357 20 10 CECDRO CCCOc1ccc(C[NH2+]CCC[C@@H](C)O)c(O)c1 ZINC000278685458 520367226 /nfs/dbraw/zinc/36/72/26/520367226.db2.gz PLLWESNHQBZVGM-GFCCVEGCSA-N 1 0 267.369 2.432 20 10 CECDRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000019393003 520632976 /nfs/dbraw/zinc/63/29/76/520632976.db2.gz AVYBRXDSOXQAJZ-AWEZNQCLSA-N 1 0 291.439 2.438 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)CCCO)c1O ZINC000094941580 521374144 /nfs/dbraw/zinc/37/41/44/521374144.db2.gz IDKWQDVCTNWIKN-LLVKDONJSA-N 1 0 253.342 2.042 20 10 CECDRO COc1cc(C[NH2+]Cc2cccc(OC)c2O)ccn1 ZINC000060942033 522466720 /nfs/dbraw/zinc/46/67/20/522466720.db2.gz BYPKTIQHBKIATR-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000094948705 522510604 /nfs/dbraw/zinc/51/06/04/522510604.db2.gz MPQOIBJNDFCXKU-NEPJUHHUSA-N 1 0 267.369 2.460 20 10 CECDRO CC[C@H]([NH2+]CCc1cnn(C)c1)c1ccccc1O ZINC000128143178 522602569 /nfs/dbraw/zinc/60/25/69/522602569.db2.gz KJSXDSZYMCUBFO-AWEZNQCLSA-N 1 0 259.353 2.409 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(C)cc1O ZINC000279990254 522713459 /nfs/dbraw/zinc/71/34/59/522713459.db2.gz FGUZHFRIMZETNF-UONOGXRCSA-N 1 0 276.380 2.410 20 10 CECDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293275454 522822946 /nfs/dbraw/zinc/82/29/46/522822946.db2.gz CNPXLJGHJUHRLR-JSGCOSHPSA-N 1 0 296.386 2.084 20 10 CECDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(N)cc1 ZINC000236910852 523170371 /nfs/dbraw/zinc/17/03/71/523170371.db2.gz XJHRJGCOQVBULO-MRXNPFEDSA-N 1 0 289.423 2.192 20 10 CECDRO CC[C@@H]1CC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000292155199 523340180 /nfs/dbraw/zinc/34/01/80/523340180.db2.gz VPKIDGULKCVNJS-LLVKDONJSA-N 1 0 251.326 2.394 20 10 CECDRO CN(Cc1ccccc1O)C(=O)CCC1CC[NH2+]CC1 ZINC000050947750 523378032 /nfs/dbraw/zinc/37/80/32/523378032.db2.gz AASPQSRPJKUHQJ-UHFFFAOYSA-N 1 0 276.380 2.130 20 10 CECDRO CN(C)C(=O)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000037751722 523983060 /nfs/dbraw/zinc/98/30/60/523983060.db2.gz AJKFWXFPTLQZEY-UHFFFAOYSA-N 1 0 289.423 2.245 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](c2nncn2C)C(C)C)c1 ZINC000289644268 524752632 /nfs/dbraw/zinc/75/26/32/524752632.db2.gz XRAYXTAEBCXZHB-CQSZACIVSA-N 1 0 290.367 2.016 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN3CCCC[C@H]23)c1 ZINC000036996291 524755762 /nfs/dbraw/zinc/75/57/62/524755762.db2.gz RRZMICWWCBZJCV-HUUCEWRRSA-N 1 0 276.380 2.117 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1 ZINC000281071297 524762446 /nfs/dbraw/zinc/76/24/46/524762446.db2.gz OGOCLBCPEJUQGK-GIPWTMENSA-N 1 0 297.420 2.353 20 10 CECDRO C[C@H](Cn1cccn1)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617556 524779462 /nfs/dbraw/zinc/77/94/62/524779462.db2.gz OTZZSGFVYDPKCF-GHMZBOCLSA-N 1 0 263.316 2.467 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCCNC2=O)c1 ZINC000036977563 525362250 /nfs/dbraw/zinc/36/22/50/525362250.db2.gz HJHIIHJGSTVFPU-YPMHNXCESA-N 1 0 262.353 2.020 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCCNC2=O)c1 ZINC000036977565 525364826 /nfs/dbraw/zinc/36/48/26/525364826.db2.gz HJHIIHJGSTVFPU-AAEUAGOBSA-N 1 0 262.353 2.020 20 10 CECDRO Cc1nnc(CC[NH2+]Cc2ccc(N(C)C)cc2)s1 ZINC000289717246 526329933 /nfs/dbraw/zinc/32/99/33/526329933.db2.gz FITJQDCXOHLQOF-UHFFFAOYSA-N 1 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SVIGAXMFDQZCPR-UHFFFAOYSA-N 1 0 290.388 2.445 20 10 CECDRO CO[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000733328861 574664308 /nfs/dbraw/zinc/66/43/08/574664308.db2.gz FVOSEVUCIRKQES-GFCCVEGCSA-N 1 0 276.302 2.420 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](OC)C2)c1O ZINC000746755675 575163694 /nfs/dbraw/zinc/16/36/94/575163694.db2.gz REMPLMHPTKGMGU-CHWSQXEVSA-N 1 0 265.353 2.448 20 10 CECDRO COC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160193539 622554924 /nfs/dbraw/zinc/55/49/24/622554924.db2.gz WJYXQFIDCUJCPB-GFCCVEGCSA-N 1 0 295.379 2.268 20 10 CECDRO CN(Cc1cc(F)ccc1O)C[C@H]1CCC[N@@H+]1C ZINC000234346006 623187908 /nfs/dbraw/zinc/18/79/08/623187908.db2.gz CQZTUJKXGJSAKP-CYBMUJFWSA-N 1 0 252.333 2.057 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(O)cc1C ZINC000160390926 623275597 /nfs/dbraw/zinc/27/55/97/623275597.db2.gz JVURPNCRTQXCCJ-INIZCTEOSA-N 1 0 277.364 2.322 20 10 CECDRO C[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891257426 623331073 /nfs/dbraw/zinc/33/10/73/623331073.db2.gz HBCSCXWJNPQPPY-UHOFOFEASA-N 1 0 289.423 2.128 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C[NH3+])C2)c1O ZINC000050250130 623374379 /nfs/dbraw/zinc/37/43/79/623374379.db2.gz WREXTMSOIZHJIA-JTQLQIEISA-N 1 0 282.771 2.029 20 10 CECDRO CN1CCC([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000050286468 623385762 /nfs/dbraw/zinc/38/57/62/623385762.db2.gz KIBFYWSGUFNNLS-UHFFFAOYSA-N 1 0 273.424 2.253 20 10 CECDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc(N)cc1 ZINC000308666893 623708842 /nfs/dbraw/zinc/70/88/42/623708842.db2.gz MQYKHCLHKAAFNG-UHFFFAOYSA-N 1 0 276.384 2.265 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@]2(C)CCCO2)c1 ZINC000094798389 624153910 /nfs/dbraw/zinc/15/39/10/624153910.db2.gz CWBCJISLGDQTRQ-CQSZACIVSA-N 1 0 251.326 2.060 20 10 CECDRO C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@@H]1CCC[NH2+]C1 ZINC000891981517 624226036 /nfs/dbraw/zinc/22/60/36/624226036.db2.gz LNIDZYWCTMKIFJ-FRRDWIJNSA-N 1 0 291.395 2.141 20 10 CECDRO COc1ccc(C[N@H+](C)CC2(O)CCCC2)c(O)c1OC ZINC000892067393 624291336 /nfs/dbraw/zinc/29/13/36/624291336.db2.gz POAFVLFVYKAHOM-UHFFFAOYSA-N 1 0 295.379 2.146 20 10 CECDRO CN(C)c1ccc(CNC2CC([NH+](C)C)C2)cc1F ZINC000848556684 624365547 /nfs/dbraw/zinc/36/55/47/624365547.db2.gz CLIDAEDWZNQGKD-UHFFFAOYSA-N 1 0 265.376 2.074 20 10 CECDRO COc1ccc(C[N@H+](C)CCOCC2CC2)c(O)c1OC ZINC000892160305 624369614 /nfs/dbraw/zinc/36/96/14/624369614.db2.gz YHNTWDYOROPCJD-UHFFFAOYSA-N 1 0 295.379 2.268 20 10 CECDRO COc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c(O)c1OC ZINC000892217597 624427343 /nfs/dbraw/zinc/42/73/43/624427343.db2.gz ZEHPWSPRJDTERJ-AAEUAGOBSA-N 1 0 295.379 2.002 20 10 CECDRO COc1cccc(O)c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000725845538 625743044 /nfs/dbraw/zinc/74/30/44/625743044.db2.gz CRPLCPVOTZMWTN-CHWSQXEVSA-N 1 0 276.380 2.117 20 10 CECDRO CON(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000850478731 627284912 /nfs/dbraw/zinc/28/49/12/627284912.db2.gz XAXUBIWWQOWOLO-VIFPVBQESA-N 1 0 258.749 2.189 20 10 CECDRO CC(C)[NH2+]CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000166474732 627639522 /nfs/dbraw/zinc/63/95/22/627639522.db2.gz YHTZTRARSUQVAR-UHFFFAOYSA-N 1 0 289.423 2.073 20 10 CECDRO CO[C@H](C)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000182431114 628156994 /nfs/dbraw/zinc/15/69/94/628156994.db2.gz WVAFCWFNBOYPBC-ZIAGYGMSSA-N 1 0 278.396 2.209 20 10 CECDRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185117695 628223134 /nfs/dbraw/zinc/22/31/34/628223134.db2.gz AKEQERDXOCAVPQ-AAEUAGOBSA-N 1 0 285.359 2.215 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](CCO)CSC)c1 ZINC000185530312 628233263 /nfs/dbraw/zinc/23/32/63/628233263.db2.gz BIRAITGTEBUKGF-QWRGUYRKSA-N 1 0 285.409 2.165 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCCOCC2)c(O)c1OC ZINC000893309212 628288137 /nfs/dbraw/zinc/28/81/37/628288137.db2.gz PBTHTHGIJXUMKZ-LBPRGKRZSA-N 1 0 281.352 2.068 20 10 CECDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)c1O ZINC000775681094 628309302 /nfs/dbraw/zinc/30/93/02/628309302.db2.gz MZFJTNYSPWWYDL-OAHLLOKOSA-N 1 0 260.381 2.369 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(C(=O)N(C)C)CC2)c1 ZINC000162619627 628378364 /nfs/dbraw/zinc/37/83/64/628378364.db2.gz MAIKPNRWLSHMBP-UHFFFAOYSA-N 1 0 276.380 2.001 20 10 CECDRO Cc1cc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)ccc1N(C)C ZINC000931277533 628495377 /nfs/dbraw/zinc/49/53/77/628495377.db2.gz LGGMJZURNMZAOC-QLPKVWCKSA-N 1 0 273.424 2.053 20 10 CECDRO Cc1cc(C(=O)NC[C@@H](C)[NH3+])c(C)n1-c1cccc(C)c1 ZINC000194924909 628520275 /nfs/dbraw/zinc/52/02/75/628520275.db2.gz JIWRGZNIFMBOAH-GFCCVEGCSA-N 1 0 285.391 2.480 20 10 CECDRO C[C@H](N[C@H]1C[NH2+]CC1(C)C)c1ccc(N(C)C)cc1 ZINC000902448067 634671039 /nfs/dbraw/zinc/67/10/39/634671039.db2.gz XNAGISPLYRTMEW-WFASDCNBSA-N 1 0 261.413 2.401 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)[C@H]1CCCO1 ZINC000840941110 628776313 /nfs/dbraw/zinc/77/63/13/628776313.db2.gz SGSJJXWAQBBFKT-IAGOWNOFSA-N 1 0 292.423 2.345 20 10 CECDRO CCN1C[C@H]([NH2+]Cc2c(O)cc(C)cc2Cl)CC1=O ZINC000840950492 628846502 /nfs/dbraw/zinc/84/65/02/628846502.db2.gz KXQRURFOWFSYCR-SNVBAGLBSA-N 1 0 282.771 2.064 20 10 CECDRO OCCCSCC[NH2+]Cc1cc(Cl)ccc1O ZINC000222941135 628857832 /nfs/dbraw/zinc/85/78/32/628857832.db2.gz YHXIPMWUJRTIOK-UHFFFAOYSA-N 1 0 275.801 2.251 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000106917591 628856313 /nfs/dbraw/zinc/85/63/13/628856313.db2.gz UBQCQLYNWOCAHQ-NHYWBVRUSA-N 1 0 294.395 2.164 20 10 CECDRO CC[C@]1(C)COCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893666835 628906116 /nfs/dbraw/zinc/90/61/16/628906116.db2.gz XZPZAOLFSMKYSR-MRXNPFEDSA-N 1 0 295.379 2.410 20 10 CECDRO COCC1=CC[N@H+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000893680626 628914537 /nfs/dbraw/zinc/91/45/37/628914537.db2.gz ZNUCRFGWGHURQU-UHFFFAOYSA-N 1 0 293.363 2.188 20 10 CECDRO C[C@@H](O)[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000840979946 628988598 /nfs/dbraw/zinc/98/85/98/628988598.db2.gz VQBWKIWJTCYZLJ-MLGOLLRUSA-N 1 0 287.359 2.127 20 10 CECDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000893909110 629049254 /nfs/dbraw/zinc/04/92/54/629049254.db2.gz WPUTWJAJRCRNNC-MRXNPFEDSA-N 1 0 295.379 2.146 20 10 CECDRO COc1ccc(N2CC[NH+]([C@H]3CC[C@@H](OC)C3)CC2)cc1 ZINC000821386703 634706340 /nfs/dbraw/zinc/70/63/40/634706340.db2.gz MXPTUYABFQFZDN-DOTOQJQBSA-N 1 0 290.407 2.385 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C[NH2+]C2CC2)cc1F ZINC000236910560 629123818 /nfs/dbraw/zinc/12/38/18/629123818.db2.gz SSLPUJDXIIIHQU-UHFFFAOYSA-N 1 0 293.386 2.040 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccnc(OC)c2F)c(O)c1 ZINC000894184537 629196746 /nfs/dbraw/zinc/19/67/46/629196746.db2.gz AWXKBSJCKLVUHV-UHFFFAOYSA-N 1 0 292.310 2.233 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](C)c2cnn(C)c2)c1O ZINC000894295466 629314721 /nfs/dbraw/zinc/31/47/21/629314721.db2.gz ZNEDTJPYPOYNOC-LLVKDONJSA-N 1 0 275.352 2.294 20 10 CECDRO CCCCC[N@H+](CC(N)=O)Cc1cc(C)cc(OC)c1O ZINC000894431646 629457601 /nfs/dbraw/zinc/45/76/01/629457601.db2.gz VPLWZFOKFJPCQE-UHFFFAOYSA-N 1 0 294.395 2.187 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCC2(O)CCC2)c1O ZINC000894699222 629595689 /nfs/dbraw/zinc/59/56/89/629595689.db2.gz ZJQXUIWFMROFPQ-UHFFFAOYSA-N 1 0 265.353 2.104 20 10 CECDRO COc1cc(O)c(C[N@@H+](C)[C@H]2CC[C@@H]2OC)cc1OC ZINC000902639807 634758535 /nfs/dbraw/zinc/75/85/35/634758535.db2.gz XXULVLRRUZQNFQ-AAEUAGOBSA-N 1 0 281.352 2.019 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](C)Cc2cnn(C)c2)c1O ZINC000894915990 629752042 /nfs/dbraw/zinc/75/20/42/629752042.db2.gz XZGTUGFRDZQWEM-GFCCVEGCSA-N 1 0 289.379 2.164 20 10 CECDRO CC[N@H+](Cc1ccc(OC)c(OC)c1O)[C@H]1CCCOC1 ZINC000895150396 629966392 /nfs/dbraw/zinc/96/63/92/629966392.db2.gz ABTNWNPHAXKPEQ-ZDUSSCGKSA-N 1 0 295.379 2.410 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)C2N=NC(=O)N2C)cc1Cl ZINC000895169877 629994650 /nfs/dbraw/zinc/99/46/50/629994650.db2.gz CAJLKUHXMOLLKB-MRVPVSSYSA-N 1 0 296.758 2.039 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1 ZINC000797071037 630123796 /nfs/dbraw/zinc/12/37/96/630123796.db2.gz PGYCFQRFDGSYGI-NWDGAFQWSA-N 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ZINC000896819023 630678903 /nfs/dbraw/zinc/67/89/03/630678903.db2.gz JFYXADQUOCBLGD-UHFFFAOYSA-N 1 0 289.379 2.083 20 10 CECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000896958890 630844993 /nfs/dbraw/zinc/84/49/93/630844993.db2.gz PWNNFOWWYGLBBH-AWEZNQCLSA-N 1 0 277.364 2.340 20 10 CECDRO CC1C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000802650843 631439607 /nfs/dbraw/zinc/43/96/07/631439607.db2.gz BXKFSQGUYRKBAF-UHFFFAOYSA-N 1 0 264.344 2.114 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CC23CC(O)C3)cc1F ZINC000897840878 631938848 /nfs/dbraw/zinc/93/88/48/631938848.db2.gz HYPHLRCLPYSSIA-CIQACWJJSA-N 1 0 282.334 2.034 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)N(C)C)c1O ZINC000808687088 632000955 /nfs/dbraw/zinc/00/09/55/632000955.db2.gz JTGNQRMZQVECHG-SNVBAGLBSA-N 1 0 284.787 2.483 20 10 CECDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808717599 632005024 /nfs/dbraw/zinc/00/50/24/632005024.db2.gz FVRMRDNFTKJKKK-JQWIXIFHSA-N 1 0 287.787 2.402 20 10 CECDRO OCCc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000898170474 632079063 /nfs/dbraw/zinc/07/90/63/632079063.db2.gz HCFHGMMRENPRQK-UHFFFAOYSA-N 1 0 275.323 2.356 20 10 CECDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000840179327 632094232 /nfs/dbraw/zinc/09/42/32/632094232.db2.gz ALEDMKATFAEJNE-YGRLFVJLSA-N 1 0 277.364 2.438 20 10 CECDRO CCCN1CCC[C@H]1C[NH2+]Cc1cc(OC)ccc1O ZINC000809716848 632132248 /nfs/dbraw/zinc/13/22/48/632132248.db2.gz ZYGSZVKXQDKHKL-AWEZNQCLSA-N 1 0 278.396 2.365 20 10 CECDRO CCOc1ccc(C[N@H+](C)C[C@H](O)C(F)(F)F)c(O)c1 ZINC000809751945 632140631 /nfs/dbraw/zinc/14/06/31/632140631.db2.gz YVXBTWAHVIIEME-LBPRGKRZSA-N 1 0 293.285 2.146 20 10 CECDRO CC(C)Oc1ccc(N(C)C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000809989046 632164446 /nfs/dbraw/zinc/16/44/46/632164446.db2.gz WQEBKPIRURTMCM-MRXNPFEDSA-N 1 0 292.423 2.365 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COC[C@H]2C2CC2)c1 ZINC000898378886 632185790 /nfs/dbraw/zinc/18/57/90/632185790.db2.gz BJULMVZSSANVIX-LKTVYLICSA-N 1 0 277.364 2.476 20 10 CECDRO Cc1ccc(C(=O)OCC[C@@H]2CCCC[N@H+]2C)c(O)c1O ZINC000840218545 632316779 /nfs/dbraw/zinc/31/67/79/632316779.db2.gz BENLKRHRSSPGJT-LBPRGKRZSA-N 1 0 293.363 2.437 20 10 CECDRO Cc1cccc(C[NH2+]Cc2ccc(CC(N)=O)cc2)c1O ZINC000811509815 632393283 /nfs/dbraw/zinc/39/32/83/632393283.db2.gz GHDUULYQVWYLKZ-UHFFFAOYSA-N 1 0 284.359 2.018 20 10 CECDRO C[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000927082774 632450650 /nfs/dbraw/zinc/45/06/50/632450650.db2.gz DFESOSRACABWFM-BBRMVZONSA-N 1 0 278.396 2.209 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)C2(C)C)c1O ZINC000812778428 632576118 /nfs/dbraw/zinc/57/61/18/632576118.db2.gz GERMNSXMOSZWPH-GFCCVEGCSA-N 1 0 285.771 2.399 20 10 CECDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)C2=CC(=O)CS2)C12CCC2 ZINC000898841623 632617860 /nfs/dbraw/zinc/61/78/60/632617860.db2.gz XUPXRUJIHZCYDT-NWDGAFQWSA-N 1 0 280.393 2.056 20 10 CECDRO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815018654 632950548 /nfs/dbraw/zinc/95/05/48/632950548.db2.gz WZWOCJKWNAPREH-MRXNPFEDSA-N 1 0 289.423 2.162 20 10 CECDRO Cc1cc(C[NH2+]C2(CO)CCCC2)ccc1N(C)C ZINC000815075107 632955629 /nfs/dbraw/zinc/95/56/29/632955629.db2.gz OFHLDXCSJPLQON-UHFFFAOYSA-N 1 0 262.397 2.456 20 10 CECDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815096991 632958041 /nfs/dbraw/zinc/95/80/41/632958041.db2.gz YCMUJGJOYCDKON-MRXNPFEDSA-N 1 0 262.397 2.408 20 10 CECDRO COCC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCOC1 ZINC000815104333 632960457 /nfs/dbraw/zinc/96/04/57/632960457.db2.gz IDUVJEHEXDAZPJ-MRXNPFEDSA-N 1 0 292.423 2.298 20 10 CECDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000815563916 633031163 /nfs/dbraw/zinc/03/11/63/633031163.db2.gz ROQAVOMQSPQCNO-CQSZACIVSA-N 1 0 292.423 2.426 20 10 CECDRO OC[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816499497 633402142 /nfs/dbraw/zinc/40/21/42/633402142.db2.gz RXDFGCBTYBLITR-GFCCVEGCSA-N 1 0 257.333 2.360 20 10 CECDRO O=C1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CN1C1CC1 ZINC000816563238 633412792 /nfs/dbraw/zinc/41/27/92/633412792.db2.gz POLIVBYZHHYZEN-AWEZNQCLSA-N 1 0 296.370 2.398 20 10 CECDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc2ccccc2c1O ZINC000816568054 633414033 /nfs/dbraw/zinc/41/40/33/633414033.db2.gz VDBVPBNUKLQHIZ-NSPYISDASA-N 1 0 277.389 2.402 20 10 CECDRO Oc1c(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)ccc2ccccc21 ZINC000816601007 633421002 /nfs/dbraw/zinc/42/10/02/633421002.db2.gz OHYYLRGVONREAL-GASCZTMLSA-N 1 0 285.343 2.145 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000816630854 633453193 /nfs/dbraw/zinc/45/31/93/633453193.db2.gz UWLBWIKXQKBSOJ-OAHLLOKOSA-N 1 0 277.364 2.280 20 10 CECDRO CCCN1C[C@H](C[NH2+]Cc2cc(C)ccc2O)CC1=O ZINC000817411008 633650426 /nfs/dbraw/zinc/65/04/26/633650426.db2.gz LALDKHNUPQFQAU-ZDUSSCGKSA-N 1 0 276.380 2.049 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1O ZINC000817413144 633651536 /nfs/dbraw/zinc/65/15/36/633651536.db2.gz USJZTTXQUZTGMT-OLZOCXBDSA-N 1 0 279.380 2.241 20 10 CECDRO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(N(C)C)cc1 ZINC000817585825 633701872 /nfs/dbraw/zinc/70/18/72/633701872.db2.gz IUGQJTZWIOMHQG-GFCCVEGCSA-N 1 0 275.396 2.059 20 10 CECDRO Cc1nn(C)cc1[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955674 633799395 /nfs/dbraw/zinc/79/93/95/633799395.db2.gz FGPGBSZCUYSSRW-LLVKDONJSA-N 1 0 258.369 2.204 20 10 CECDRO Cc1cc(Br)cc([C@@H](C)NC2C[NH2+]C2)c1O ZINC000817956258 633800163 /nfs/dbraw/zinc/80/01/63/633800163.db2.gz VAYMXYRKDAAECS-MRVPVSSYSA-N 1 0 285.185 2.086 20 10 CECDRO CC[C@H]([NH2+]CCNCCOC)c1cc(Cl)ccc1O ZINC000817965502 633806731 /nfs/dbraw/zinc/80/67/31/633806731.db2.gz VUUURQOGQICLMV-ZDUSSCGKSA-N 1 0 286.803 2.322 20 10 CECDRO C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817967373 633810432 /nfs/dbraw/zinc/81/04/32/633810432.db2.gz GQJRVTHGGXOJPL-SECBINFHSA-N 1 0 268.307 2.241 20 10 CECDRO C[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(F)ccc1O ZINC000817980524 633823907 /nfs/dbraw/zinc/82/39/07/633823907.db2.gz LEQMJHPXDBQFOH-UFBFGSQYSA-N 1 0 274.286 2.179 20 10 CECDRO NC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCCC1 ZINC000817981689 633824747 /nfs/dbraw/zinc/82/47/47/633824747.db2.gz MPTMIPQYBZEZLJ-UONOGXRCSA-N 1 0 260.381 2.487 20 10 CECDRO C[C@H](N[C@@H]1CCCC[NH2+]C1)c1cc(F)ccc1O ZINC000817984441 633826221 /nfs/dbraw/zinc/82/62/21/633826221.db2.gz SUUMWGRKAXASEY-CMPLNLGQSA-N 1 0 252.333 2.324 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+]C3CCOCC3)C2)cc1 ZINC000818221084 633887675 /nfs/dbraw/zinc/88/76/75/633887675.db2.gz LDTXYNRDBAANQM-CQSZACIVSA-N 1 0 290.407 2.290 20 10 CECDRO C[C@H]1C[C@H]([NH2+][C@@H]2CCOC2)c2c1c(F)ccc2O ZINC000818358540 633916163 /nfs/dbraw/zinc/91/61/63/633916163.db2.gz JKRBQEIVVNALIN-NGZCFLSTSA-N 1 0 251.301 2.458 20 10 CECDRO CN(c1ccc(C[NH2+]CCC(N)=O)cc1)C1CCCCC1 ZINC000818979801 634025785 /nfs/dbraw/zinc/02/57/85/634025785.db2.gz AUYXJGPTIROEBU-UHFFFAOYSA-N 1 0 289.423 2.421 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]2O)c(C(F)(F)F)c1 ZINC000822503574 634932654 /nfs/dbraw/zinc/93/26/54/634932654.db2.gz IPPNIPGUZBEXFW-CHWSQXEVSA-N 1 0 288.313 2.384 20 10 CECDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000903131352 634984337 /nfs/dbraw/zinc/98/43/37/634984337.db2.gz RHDQHQGTOZDXTM-TUAOUCFPSA-N 1 0 293.363 2.393 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCCOCC2)c1 ZINC000903226517 635014669 /nfs/dbraw/zinc/01/46/69/635014669.db2.gz GNSODLIPIUNGGA-CQSZACIVSA-N 1 0 278.396 2.074 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]Cc2cnn(CCF)c2)c1O ZINC000903273651 635040793 /nfs/dbraw/zinc/04/07/93/635040793.db2.gz BZSDMYYBKYPUSN-LLVKDONJSA-N 1 0 293.342 2.418 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(Cl)c1 ZINC000903967413 635401106 /nfs/dbraw/zinc/40/11/06/635401106.db2.gz JGODWNVXGYFUQP-MNOVXSKESA-N 1 0 268.788 2.299 20 10 CECDRO Cc1cc(O)c(CN2CC[NH+](C)CC2)cc1Cl ZINC000824473498 635433967 /nfs/dbraw/zinc/43/39/67/635433967.db2.gz BFNGWSFMFOZUEM-UHFFFAOYSA-N 1 0 254.761 2.101 20 10 CECDRO CO[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)CC1(C)C ZINC000824820713 635505001 /nfs/dbraw/zinc/50/50/01/635505001.db2.gz KYSCBRVQDATXPQ-HNNXBMFYSA-N 1 0 293.363 2.368 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@@H]1C ZINC000824815476 635505106 /nfs/dbraw/zinc/50/51/06/635505106.db2.gz QJLCUNZDLJELPH-IINYFYTJSA-N 1 0 253.317 2.388 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1OC ZINC000825061564 635555867 /nfs/dbraw/zinc/55/58/67/635555867.db2.gz IBGHHSOHPCGRFC-WCQYABFASA-N 1 0 295.379 2.050 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000825104463 635570075 /nfs/dbraw/zinc/57/00/75/635570075.db2.gz XNMRXRXOQXEKAD-BXKDBHETSA-N 1 0 255.745 2.309 20 10 CECDRO [NH3+]CC[C@H](NCc1ccc2c(c1)CCCO2)C(F)F ZINC000904355469 635586933 /nfs/dbraw/zinc/58/69/33/635586933.db2.gz RZRSZDPOAQWVBH-LBPRGKRZSA-N 1 0 270.323 2.084 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](O)C(C)C)cc1Cl ZINC000825278234 635604447 /nfs/dbraw/zinc/60/44/47/635604447.db2.gz JCUUYHPCTGOORE-ZDUSSCGKSA-N 1 0 257.761 2.461 20 10 CECDRO c1cc2c(cc1CN[C@@H]1CC[NH2+]C13CCC3)CCCO2 ZINC000904381552 635605439 /nfs/dbraw/zinc/60/54/39/635605439.db2.gz YAPMRWJENMHVLX-MRXNPFEDSA-N 1 0 272.392 2.386 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)C2CC2)cc1Cl ZINC000825291202 635606643 /nfs/dbraw/zinc/60/66/43/635606643.db2.gz GQXCDKLGMSJRFI-LBPRGKRZSA-N 1 0 255.745 2.215 20 10 CECDRO [NH3+]CC[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000904405806 635612234 /nfs/dbraw/zinc/61/22/34/635612234.db2.gz PTWGAQFCZWSIDS-VIFPVBQESA-N 1 0 272.751 2.355 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)C(=O)NC ZINC000825315456 635613789 /nfs/dbraw/zinc/61/37/89/635613789.db2.gz AZXYAKPAAWZFCO-CQSZACIVSA-N 1 0 295.402 2.286 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2(C)OCCO2)cc1Cl ZINC000825380285 635627556 /nfs/dbraw/zinc/62/75/56/635627556.db2.gz ZTTVXNIDAVPRKZ-UHFFFAOYSA-N 1 0 271.744 2.207 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)cc1Cl ZINC000825429649 635637936 /nfs/dbraw/zinc/63/79/36/635637936.db2.gz NTFRZCKLANHOHQ-NSHDSACASA-N 1 0 294.782 2.207 20 10 CECDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825671400 635691742 /nfs/dbraw/zinc/69/17/42/635691742.db2.gz IRRKCSYRUSZYIR-SNVBAGLBSA-N 1 0 284.787 2.310 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151753 636237324 /nfs/dbraw/zinc/23/73/24/636237324.db2.gz IZZNVUQSEZQZRZ-MRXNPFEDSA-N 1 0 277.364 2.138 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c(O)c1 ZINC000827699585 636397724 /nfs/dbraw/zinc/39/77/24/636397724.db2.gz JITRWYPCKSVLPW-WBMJQRKESA-N 1 0 279.380 2.241 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1 ZINC000905694828 636405996 /nfs/dbraw/zinc/40/59/96/636405996.db2.gz JINHKXWOROHPNC-CYBMUJFWSA-N 1 0 277.364 2.204 20 10 CECDRO C[NH+](C)CCC[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000827855790 636442869 /nfs/dbraw/zinc/44/28/69/636442869.db2.gz IMYIJJYVLCLMFN-HNNXBMFYSA-N 1 0 296.386 2.074 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)C2(CO)CCC2)c1O ZINC000827903561 636456153 /nfs/dbraw/zinc/45/61/53/636456153.db2.gz KANBQKWZZVELRA-UHFFFAOYSA-N 1 0 285.771 2.401 20 10 CECDRO C[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccccc1O ZINC000827941707 636465493 /nfs/dbraw/zinc/46/54/93/636465493.db2.gz WWDQULZGVCACOF-VXGBXAGGSA-N 1 0 294.420 2.007 20 10 CECDRO C[C@H](NC(=O)c1ccc(C[NH+](C)C)nc1)c1ccccc1O ZINC000827964864 636473318 /nfs/dbraw/zinc/47/33/18/636473318.db2.gz YDYPPAIRRUNPPY-LBPRGKRZSA-N 1 0 299.374 2.340 20 10 CECDRO CCC[C@](C)([NH3+])C(=O)NCCCSc1nccs1 ZINC000829527677 636874884 /nfs/dbraw/zinc/87/48/84/636874884.db2.gz CAKPNCGPIZUEQP-LBPRGKRZSA-N 1 0 287.454 2.259 20 10 CECDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000830576308 637103848 /nfs/dbraw/zinc/10/38/48/637103848.db2.gz FNFRTROAAUSVRR-ZYHUDNBSSA-N 1 0 280.393 2.010 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876556629 650324920 /nfs/dbraw/zinc/32/49/20/650324920.db2.gz VGQSCSISLFDTLS-GFCCVEGCSA-N 1 0 263.337 2.086 20 10 CECDRO Cc1ccc(C[NH+]2CCC3(CC2)OCCO3)c(O)c1 ZINC000876559732 650327526 /nfs/dbraw/zinc/32/75/26/650327526.db2.gz APJJASQXJVYDBH-UHFFFAOYSA-N 1 0 263.337 2.040 20 10 CECDRO OC1CCN(c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000876560750 650328787 /nfs/dbraw/zinc/32/87/87/650328787.db2.gz LLXWCVQULHPGCW-UHFFFAOYSA-N 1 0 292.448 2.197 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088342 637701668 /nfs/dbraw/zinc/70/16/68/637701668.db2.gz VCEBBHIKFXNPRG-IUODEOHRSA-N 1 0 278.371 2.495 20 10 CECDRO OCC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000834766377 637944341 /nfs/dbraw/zinc/94/43/41/637944341.db2.gz SVAOQUHTYRCTQC-HUUCEWRRSA-N 1 0 291.391 2.147 20 10 CECDRO OC[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)c1cccnc1 ZINC000834803012 637955694 /nfs/dbraw/zinc/95/56/94/637955694.db2.gz IGBHMXAPDDNEBC-GJZGRUSLSA-N 1 0 284.359 2.140 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000834844713 637968736 /nfs/dbraw/zinc/96/87/36/637968736.db2.gz UFGCVLNZOVFEGK-XJKSGUPXSA-N 1 0 281.396 2.447 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2CCO)c(O)c1 ZINC000834850583 637970314 /nfs/dbraw/zinc/97/03/14/637970314.db2.gz NCWNNQVIZSXWPL-GJZGRUSLSA-N 1 0 292.423 2.198 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccc(N(C)C)cc1 ZINC000834892496 637980087 /nfs/dbraw/zinc/98/00/87/637980087.db2.gz VOKYCEZAZCRSMQ-ZBFHGGJFSA-N 1 0 289.423 2.414 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccccc1O ZINC000834895401 637980163 /nfs/dbraw/zinc/98/01/63/637980163.db2.gz BHQKRNMIWFEYIT-NWDGAFQWSA-N 1 0 259.353 2.408 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)CC(=O)NC)c1ccc(C)cc1O ZINC000834898659 637981248 /nfs/dbraw/zinc/98/12/48/637981248.db2.gz ATVNGDOAAKENNX-AAEUAGOBSA-N 1 0 264.369 2.266 20 10 CECDRO C[C@H]1COCCN1C/C=C/c1ccc(N(C)C)cc1 ZINC000835024723 638028728 /nfs/dbraw/zinc/02/87/28/638028728.db2.gz BTYYSCKGGKRRBE-NNTXTVRGSA-N 1 0 260.381 2.487 20 10 CECDRO C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000835025936 638028991 /nfs/dbraw/zinc/02/89/91/638028991.db2.gz ONGWQKWHEUDFPN-ISZGNANSSA-N 1 0 259.397 2.060 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000835044565 638036423 /nfs/dbraw/zinc/03/64/23/638036423.db2.gz MCTZHOGYEZIRFW-JZIMQPMSSA-N 1 0 299.418 2.119 20 10 CECDRO C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)CC[C@H]1O ZINC000835044876 638036669 /nfs/dbraw/zinc/03/66/69/638036669.db2.gz ACYOOHDDHUCNOS-XUOJHOASSA-N 1 0 274.408 2.469 20 10 CECDRO CC[C@H](CO)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835055054 638040694 /nfs/dbraw/zinc/04/06/94/638040694.db2.gz PNFQKZAEWXZLEZ-IDTUSYRASA-N 1 0 262.397 2.469 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1CCC[C@H]1c1nncn1C ZINC000876780675 650428976 /nfs/dbraw/zinc/42/89/76/650428976.db2.gz ICRQWWPWJQDUGU-ZDUSSCGKSA-N 1 0 272.352 2.166 20 10 CECDRO Cc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c(O)c1 ZINC000876798825 650437710 /nfs/dbraw/zinc/43/77/10/650437710.db2.gz PSIJXIXWHNBZDC-DZGCQCFKSA-N 1 0 279.405 2.407 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCCNc1ncccn1 ZINC000876874808 650468062 /nfs/dbraw/zinc/46/80/62/650468062.db2.gz KBDLNIZWHBPWPS-UHFFFAOYSA-N 1 0 272.352 2.082 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCOCC(F)(F)F ZINC000876910431 650482415 /nfs/dbraw/zinc/48/24/15/650482415.db2.gz ZTAYXASUWPESES-UHFFFAOYSA-N 1 0 263.259 2.369 20 10 CECDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164218956 639354906 /nfs/dbraw/zinc/35/49/06/639354906.db2.gz OAAHIKFQYUAEDW-OAHLLOKOSA-N 1 0 290.407 2.357 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)c1O ZINC000164514312 639379061 /nfs/dbraw/zinc/37/90/61/639379061.db2.gz FZWILPTWZGDSNB-RYUDHWBXSA-N 1 0 265.353 2.318 20 10 CECDRO CCN(CC)C(=O)CCC[NH2+]Cc1ccc(C)cc1O ZINC000876933810 650492353 /nfs/dbraw/zinc/49/23/53/650492353.db2.gz ZTTIVXYTNWUPKH-UHFFFAOYSA-N 1 0 278.396 2.439 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@]2(C)CCCOC2)c1 ZINC000225932069 639516531 /nfs/dbraw/zinc/51/65/31/639516531.db2.gz SPASNORFQYNTPH-AWEZNQCLSA-N 1 0 251.326 2.060 20 10 CECDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000840890172 639574703 /nfs/dbraw/zinc/57/47/03/639574703.db2.gz YPNUPAMFXOAXHZ-CYBMUJFWSA-N 1 0 299.436 2.484 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)C2CCOCC2)c(Cl)c1 ZINC000840897557 639576387 /nfs/dbraw/zinc/57/63/87/639576387.db2.gz BCMHPJMPRIFTBT-OAHLLOKOSA-N 1 0 299.798 2.231 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)C(C)C)c(Cl)c1 ZINC000840899747 639577874 /nfs/dbraw/zinc/57/78/74/639577874.db2.gz YORBXEBYOLJNFC-CYBMUJFWSA-N 1 0 257.761 2.461 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCC(OCCO)CC2)c(Cl)c1 ZINC000840918634 639585351 /nfs/dbraw/zinc/58/53/51/639585351.db2.gz ITSOSMTWMPESIU-UHFFFAOYSA-N 1 0 299.798 2.327 20 10 CECDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(N)cc3)CC[C@H]21 ZINC000227341271 639586010 /nfs/dbraw/zinc/58/60/10/639586010.db2.gz SHQWCRYRQKEMHE-IUODEOHRSA-N 1 0 288.395 2.217 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCn1cccn1 ZINC000840929327 639588868 /nfs/dbraw/zinc/58/88/68/639588868.db2.gz JVTTWVACENULIC-UHFFFAOYSA-N 1 0 258.369 2.047 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000840931226 639590065 /nfs/dbraw/zinc/59/00/65/639590065.db2.gz VFXCNRQKEHITFY-CYBMUJFWSA-N 1 0 291.439 2.454 20 10 CECDRO CSC[C@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933057 639590287 /nfs/dbraw/zinc/59/02/87/639590287.db2.gz FBGIONKBXNOAND-AWEZNQCLSA-N 1 0 282.453 2.265 20 10 CECDRO Cc1cc(O)c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(Cl)c1 ZINC000840941312 639593595 /nfs/dbraw/zinc/59/35/95/639593595.db2.gz WGDBJKZMNTXDOP-TXEJJXNPSA-N 1 0 280.799 2.347 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000840942204 639595554 /nfs/dbraw/zinc/59/55/54/639595554.db2.gz VMQDFZVGCXSLPN-CZUORRHYSA-N 1 0 262.397 2.312 20 10 CECDRO COC[C@]1(CO)CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840951781 639598996 /nfs/dbraw/zinc/59/89/96/639598996.db2.gz KAZNWXPFZLGUCA-OAHLLOKOSA-N 1 0 299.798 2.185 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000840954127 639599246 /nfs/dbraw/zinc/59/92/46/639599246.db2.gz GWOYMIZGMFFRQM-INIZCTEOSA-N 1 0 277.364 2.402 20 10 CECDRO COc1cccc(C[N@@H+]2CCCc3c(cnn3C)C2)c1O ZINC000840954658 639600540 /nfs/dbraw/zinc/60/05/40/639600540.db2.gz LZGPQMGEZORBCH-UHFFFAOYSA-N 1 0 287.363 2.083 20 10 CECDRO COc1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)cc1C ZINC000840960813 639600862 /nfs/dbraw/zinc/60/08/62/639600862.db2.gz VKZYEJAWAMSOCI-UHFFFAOYSA-N 1 0 299.436 2.307 20 10 CECDRO Cc1cccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c1O ZINC000840975866 639606993 /nfs/dbraw/zinc/60/69/93/639606993.db2.gz RZTMVCOUCHFJOY-UHFFFAOYSA-N 1 0 297.420 2.005 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)C(=O)NC(C)C)cc1C ZINC000840974865 639607198 /nfs/dbraw/zinc/60/71/98/639607198.db2.gz PGQDRZDWBUGFPU-GFCCVEGCSA-N 1 0 264.369 2.012 20 10 CECDRO Cc1ccc(O)c(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c1 ZINC000840977184 639607738 /nfs/dbraw/zinc/60/77/38/639607738.db2.gz UGPMURABCIDVDJ-CQSZACIVSA-N 1 0 276.380 2.190 20 10 CECDRO [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841028991 639621151 /nfs/dbraw/zinc/62/11/51/639621151.db2.gz DCDGIVANLNZUNY-ZWNOBZJWSA-N 1 0 252.333 2.138 20 10 CECDRO CCCC[C@@H](C[NH3+])NCc1ccc(N(C)C)c(F)c1 ZINC000841029810 639622297 /nfs/dbraw/zinc/62/22/97/639622297.db2.gz SKZDWKZEOCDTGF-ZDUSSCGKSA-N 1 0 267.392 2.499 20 10 CECDRO CCn1nc(C)c(C[NH2+]CCc2ccc(N)cc2)c1C ZINC000841034437 639626156 /nfs/dbraw/zinc/62/61/56/639626156.db2.gz BCQBWFJFBMSOPZ-UHFFFAOYSA-N 1 0 272.396 2.434 20 10 CECDRO Oc1cc2c(cc1CN1CC[NH2+]Cc3ccccc31)OCO2 ZINC000841035251 639627911 /nfs/dbraw/zinc/62/79/11/639627911.db2.gz JHZMKEMVZYUQDZ-UHFFFAOYSA-N 1 0 298.342 2.231 20 10 CECDRO COc1cccc(C[NH2+][C@@H](CN)C2CCCCC2)c1O ZINC000841039243 639629843 /nfs/dbraw/zinc/62/98/43/639629843.db2.gz GSTDJXQMIIVVNF-AWEZNQCLSA-N 1 0 278.396 2.398 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@H]1C[NH2+]CC[C@H]1C ZINC000841059735 639636615 /nfs/dbraw/zinc/63/66/15/639636615.db2.gz WIWRZHAOFBMBNS-WBMJQRKESA-N 1 0 261.413 2.149 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@H]1CCC[NH2+][C@@H]1C ZINC000841063147 639638102 /nfs/dbraw/zinc/63/81/02/639638102.db2.gz IWFXHLGXXHBPLH-CJNGLKHVSA-N 1 0 261.413 2.291 20 10 CECDRO CCOc1ccc(O)c(CN[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000841065683 639640707 /nfs/dbraw/zinc/64/07/07/639640707.db2.gz SUGRHIZUSPZEMO-BXUZGUMPSA-N 1 0 264.369 2.021 20 10 CECDRO CN(C)c1ccc(/C=C\CN[C@@H]2CCCC[NH2+]C2)cc1 ZINC000841091475 639654878 /nfs/dbraw/zinc/65/48/78/639654878.db2.gz YRPUPVYVEAZQMA-OGZRUICASA-N 1 0 273.424 2.498 20 10 CECDRO CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000228794837 639659343 /nfs/dbraw/zinc/65/93/43/639659343.db2.gz RGSLBUHZMBSYNR-JTQLQIEISA-N 1 0 268.332 2.050 20 10 CECDRO CN(C)c1ccc(CN(C)CC[NH3+])c(C(F)(F)F)c1 ZINC000841100489 639669164 /nfs/dbraw/zinc/66/91/64/639669164.db2.gz IZWFEWCJKUFMMR-UHFFFAOYSA-N 1 0 275.318 2.162 20 10 CECDRO COc1cc(Cl)cc(CN2C[C@H](C)[NH2+]C[C@@H]2C)c1O ZINC000229103991 639676656 /nfs/dbraw/zinc/67/66/56/639676656.db2.gz ZZQLNTRERNIURH-UWVGGRQHSA-N 1 0 284.787 2.236 20 10 CECDRO C[NH2+]C[C@H]1CCCN1Cc1cc(Cl)cc(OC)c1O ZINC000229104808 639676748 /nfs/dbraw/zinc/67/67/48/639676748.db2.gz PRRKVWWNHXXOPJ-GFCCVEGCSA-N 1 0 284.787 2.238 20 10 CECDRO COCCOCCCC[NH2+]Cc1c(C)cccc1O ZINC000876996863 650525056 /nfs/dbraw/zinc/52/50/56/650525056.db2.gz GPPSSRGYEMNWFN-UHFFFAOYSA-N 1 0 267.369 2.233 20 10 CECDRO COC[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1O)OC ZINC000230672251 639778714 /nfs/dbraw/zinc/77/87/14/639778714.db2.gz WHVWBJBMGHMEKN-VXGBXAGGSA-N 1 0 253.342 2.013 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062895131 639793855 /nfs/dbraw/zinc/79/38/55/639793855.db2.gz ODUVQZXNWBACSZ-QGZVFWFLSA-N 1 0 289.423 2.101 20 10 CECDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(=O)N(C)C ZINC000841753787 639858811 /nfs/dbraw/zinc/85/88/11/639858811.db2.gz WJSQPVHHQYUYLR-IUCAKERBSA-N 1 0 270.760 2.173 20 10 CECDRO C[C@@H]1CC[C@@H](CN2CCCc3cc(C[NH3+])ccc32)O1 ZINC000232007578 639890909 /nfs/dbraw/zinc/89/09/09/639890909.db2.gz ZTHJXHXSWHMBOA-DOMZBBRYSA-N 1 0 260.381 2.465 20 10 CECDRO C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000841882048 639897308 /nfs/dbraw/zinc/89/73/08/639897308.db2.gz VRRSSHYNPWOKOZ-OLZOCXBDSA-N 1 0 292.427 2.240 20 10 CECDRO CC(C)(C[NH2+]Cc1ccccc1O)C1(O)CCOCC1 ZINC000841890729 639900735 /nfs/dbraw/zinc/90/07/35/639900735.db2.gz QGLBYFWGPGDYFM-UHFFFAOYSA-N 1 0 279.380 2.050 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NCCC[NH2+]CC ZINC000841917626 639906555 /nfs/dbraw/zinc/90/65/55/639906555.db2.gz QRSIGARTKUUAHT-UHFFFAOYSA-N 1 0 293.411 2.313 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CC[NH3+] ZINC000841968306 639913250 /nfs/dbraw/zinc/91/32/50/639913250.db2.gz VZEQJJRKRLCKGP-ZDUSSCGKSA-N 1 0 293.411 2.441 20 10 CECDRO CC[C@H](C[NH+]1CCN(c2ccc(OC)cc2)CC1)OC ZINC000842146940 639965811 /nfs/dbraw/zinc/96/58/11/639965811.db2.gz FMRUTPUTVIUORV-OAHLLOKOSA-N 1 0 278.396 2.242 20 10 CECDRO CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000842224702 639978214 /nfs/dbraw/zinc/97/82/14/639978214.db2.gz FBXVXNGDBXAWHY-IAGOWNOFSA-N 1 0 294.439 2.144 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+][C@H](C)C2)c1O ZINC000842473448 640072392 /nfs/dbraw/zinc/07/23/92/640072392.db2.gz KBSCNGSJPGJLCZ-SECBINFHSA-N 1 0 282.771 2.042 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@@]3(CCC[NH2+]3)C2)c1O ZINC000842477031 640076733 /nfs/dbraw/zinc/07/67/33/640076733.db2.gz CAYGJQLRJNAPDH-INIZCTEOSA-N 1 0 292.354 2.062 20 10 CECDRO Cc1cc(C(=O)CN(C)CC[NH3+])c(C)n1-c1ccc(C)cc1 ZINC000842478806 640077838 /nfs/dbraw/zinc/07/78/38/640077838.db2.gz KGSLDCYPFYQAOR-UHFFFAOYSA-N 1 0 299.418 2.476 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCS[C@H]1C ZINC000842779913 640180445 /nfs/dbraw/zinc/18/04/45/640180445.db2.gz SUPGQCLCSWXSHT-GXSJLCMTSA-N 1 0 253.367 2.384 20 10 CECDRO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1ccccc1O ZINC000842918091 640221263 /nfs/dbraw/zinc/22/12/63/640221263.db2.gz YTSLUASGWVWKKL-WBMJQRKESA-N 1 0 279.380 2.220 20 10 CECDRO CCN(CC)c1ccc(CN2CCC[C@@H]([NH3+])C2)cc1 ZINC000843043827 640248814 /nfs/dbraw/zinc/24/88/14/640248814.db2.gz JKXMCXAXBJJRGH-OAHLLOKOSA-N 1 0 261.413 2.456 20 10 CECDRO CN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc(N)cc1 ZINC000877077991 650562097 /nfs/dbraw/zinc/56/20/97/650562097.db2.gz YHPODEOINGPJSK-ZAQWFSBCSA-N 1 0 287.407 2.385 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CCC[C@H]([NH3+])C2)cc1 ZINC000843047286 640252990 /nfs/dbraw/zinc/25/29/90/640252990.db2.gz JSCFZEKBMMTJKJ-UJAVWCLSSA-N 1 0 259.397 2.189 20 10 CECDRO Cc1cc(Br)c([O-])c(C[N@H+](C)CCC[NH3+])c1 ZINC000843050610 640254524 /nfs/dbraw/zinc/25/45/24/640254524.db2.gz LYKFMTIIUGOXKG-UHFFFAOYSA-N 1 0 287.201 2.244 20 10 CECDRO Cn1ncc(Cl)c1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057677 640260040 /nfs/dbraw/zinc/26/00/40/640260040.db2.gz GZMAOQGXEMUBNZ-UHFFFAOYSA-N 1 0 290.798 2.485 20 10 CECDRO C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843118050 640287328 /nfs/dbraw/zinc/28/73/28/640287328.db2.gz ZOKWEENAGZRXSI-ZDUSSCGKSA-N 1 0 254.761 2.216 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000843121053 640289462 /nfs/dbraw/zinc/28/94/62/640289462.db2.gz ZRQIXWKNUMMDBC-JXCVUKRWSA-N 1 0 285.435 2.451 20 10 CECDRO CCOCc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])ccc1OC ZINC000843129883 640296129 /nfs/dbraw/zinc/29/61/29/640296129.db2.gz SRPOCXLNAKUPHH-QWHCGFSZSA-N 1 0 280.412 2.447 20 10 CECDRO CCCCCNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000843349783 640399244 /nfs/dbraw/zinc/39/92/44/640399244.db2.gz CECVTCZEMVLEMA-UHFFFAOYSA-N 1 0 289.423 2.204 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000843412137 640419366 /nfs/dbraw/zinc/41/93/66/640419366.db2.gz AYWUKFWQTCIJAZ-AWEZNQCLSA-N 1 0 276.380 2.129 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000843417361 640421553 /nfs/dbraw/zinc/42/15/53/640421553.db2.gz CRTGKXCDRWTLPY-OAHLLOKOSA-N 1 0 279.405 2.409 20 10 CECDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000843427333 640426629 /nfs/dbraw/zinc/42/66/29/640426629.db2.gz LIZNHIJEWXSQEK-GXFFZTMASA-N 1 0 255.333 2.418 20 10 CECDRO CS[C@@H](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844163328 640621561 /nfs/dbraw/zinc/62/15/61/640621561.db2.gz YZIXQPUVHOVVDC-SMDDNHRTSA-N 1 0 295.452 2.010 20 10 CECDRO CC[C@@H](C[N@H+](C)CCN(C)c1ccc(OC)cc1)OC ZINC000844402247 640708330 /nfs/dbraw/zinc/70/83/30/640708330.db2.gz QVRVJYHTYOPDEL-HNNXBMFYSA-N 1 0 280.412 2.488 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000877170734 650608227 /nfs/dbraw/zinc/60/82/27/650608227.db2.gz VFTAPAQKODVPKY-UHFFFAOYSA-N 1 0 263.337 2.040 20 10 CECDRO CCOCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877171550 650609440 /nfs/dbraw/zinc/60/94/40/650609440.db2.gz AMCOGQPFGLREGR-UHFFFAOYSA-N 1 0 292.423 2.116 20 10 CECDRO CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)Cc1ccccc1O ZINC000929977442 640884184 /nfs/dbraw/zinc/88/41/84/640884184.db2.gz UEMOSBBXPYITQW-QWHCGFSZSA-N 1 0 263.337 2.023 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCCn2ccnn2)cc1 ZINC000126429674 650638325 /nfs/dbraw/zinc/63/83/25/650638325.db2.gz IQXRIANZJBNITJ-UHFFFAOYSA-N 1 0 287.411 2.304 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c(O)c1 ZINC000846048172 641164749 /nfs/dbraw/zinc/16/47/49/641164749.db2.gz XKQXOXWQASNYIZ-NFAWXSAZSA-N 1 0 263.337 2.200 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)CN2CCCC2=O)c1O ZINC000846145046 641200453 /nfs/dbraw/zinc/20/04/53/641200453.db2.gz OHBXYXSHOMLUOK-NEPJUHHUSA-N 1 0 292.379 2.062 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)c1O ZINC000846149453 641203198 /nfs/dbraw/zinc/20/31/98/641203198.db2.gz ZNKHVWLRJSUZQI-WOPDTQHZSA-N 1 0 265.353 2.476 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1O ZINC000846153067 641204248 /nfs/dbraw/zinc/20/42/48/641204248.db2.gz FDYOGDGXHXERPG-ZYHUDNBSSA-N 1 0 287.363 2.332 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC[C@@H](C)[S@@](C)=O)c1O ZINC000846154341 641205475 /nfs/dbraw/zinc/20/54/75/641205475.db2.gz PYPUTIDQBKAVDI-RMDKCXRXSA-N 1 0 285.409 2.209 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]Cc2c[nH]nc2C)c1O ZINC000846154788 641205646 /nfs/dbraw/zinc/20/56/46/641205646.db2.gz MZVSWLHJCXSQEP-SNVBAGLBSA-N 1 0 261.325 2.283 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](CO)CC2CC2)c1O ZINC000846157379 641206747 /nfs/dbraw/zinc/20/67/47/641206747.db2.gz MARSSZCLNNVSBG-ZYHUDNBSSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCC2(CO)CC2)c1O ZINC000846168862 641210301 /nfs/dbraw/zinc/21/03/01/641210301.db2.gz MWLYFZOZZBUZBU-NSHDSACASA-N 1 0 265.353 2.214 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCc2nccnc2C)c1O ZINC000846168613 641210448 /nfs/dbraw/zinc/21/04/48/641210448.db2.gz BKYXQKUKLUVHKX-LLVKDONJSA-N 1 0 287.363 2.393 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](CO)C(C)C)c1O ZINC000846169870 641211953 /nfs/dbraw/zinc/21/19/53/641211953.db2.gz GNMFGKWGFYTXKV-VXGBXAGGSA-N 1 0 267.369 2.316 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(F)ccc1O ZINC000846205640 641220333 /nfs/dbraw/zinc/22/03/33/641220333.db2.gz IRHPOXZVEQWXBF-MNOVXSKESA-N 1 0 292.354 2.193 20 10 CECDRO C[C@@H](NC(=O)C1([NH3+])Cc2ccccc2C1)c1ccccc1O ZINC000877255463 650644312 /nfs/dbraw/zinc/64/43/12/650644312.db2.gz DRQHDUOKUBSBDU-GFCCVEGCSA-N 1 0 296.370 2.066 20 10 CECDRO NC(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)cc1 ZINC000921481193 641292699 /nfs/dbraw/zinc/29/26/99/641292699.db2.gz DFEQZDUQQWABLP-UHFFFAOYSA-N 1 0 296.370 2.400 20 10 CECDRO O=C(NCc1cc(Cl)ccc1O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000846474563 641312249 /nfs/dbraw/zinc/31/22/49/641312249.db2.gz VDLFJDHAAJEAQE-CYBMUJFWSA-N 1 0 294.782 2.289 20 10 CECDRO [NH3+]C1(C(=O)NCCCSc2nccs2)CCCCC1 ZINC000237790171 641383446 /nfs/dbraw/zinc/38/34/46/641383446.db2.gz QYIMHHKWKKISJQ-UHFFFAOYSA-N 1 0 299.465 2.403 20 10 CECDRO CCC[N@H+](CCCC(=O)N(C)C)Cc1ccccc1O ZINC000846807149 641432538 /nfs/dbraw/zinc/43/25/38/641432538.db2.gz APKXLTYKLCBGMJ-UHFFFAOYSA-N 1 0 278.396 2.473 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)COCC(C)C)c1 ZINC000182316544 641644644 /nfs/dbraw/zinc/64/46/44/641644644.db2.gz JPOQTBSSIIEDJQ-CHWSQXEVSA-N 1 0 297.395 2.085 20 10 CECDRO CCn1ccnc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182404224 641655834 /nfs/dbraw/zinc/65/58/34/641655834.db2.gz LKBLMMJBUMPPQJ-LLVKDONJSA-N 1 0 275.352 2.468 20 10 CECDRO Cn1ccnc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000071140804 641725409 /nfs/dbraw/zinc/72/54/09/641725409.db2.gz LOQIMRSOZFSRTH-UHFFFAOYSA-N 1 0 251.717 2.069 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)C(C)C)c1 ZINC000185433883 641978610 /nfs/dbraw/zinc/97/86/10/641978610.db2.gz FUOUVSUCZGVEPM-NHYWBVRUSA-N 1 0 267.369 2.458 20 10 CECDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185530633 641989504 /nfs/dbraw/zinc/98/95/04/641989504.db2.gz SANWJUCVFRHXRJ-NEPJUHHUSA-N 1 0 269.410 2.465 20 10 CECDRO CCC(C)(C)[NH+]1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000848432511 641994343 /nfs/dbraw/zinc/99/43/43/641994343.db2.gz IKEHWUCSGJFXOT-UHFFFAOYSA-N 1 0 289.423 2.144 20 10 CECDRO C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1ccccc1O ZINC000848557409 642052425 /nfs/dbraw/zinc/05/24/25/642052425.db2.gz JSOCVNZBEIDQRM-GXFFZTMASA-N 1 0 288.351 2.213 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c(O)c1 ZINC000848572798 642060774 /nfs/dbraw/zinc/06/07/74/642060774.db2.gz VXORELFWNIOTTA-AAEUAGOBSA-N 1 0 290.363 2.334 20 10 CECDRO CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768450987 642100490 /nfs/dbraw/zinc/10/04/90/642100490.db2.gz KYMOPICSBJEAQF-RISCZKNCSA-N 1 0 263.337 2.192 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](CCO)CSC)c1O ZINC000848896430 642175927 /nfs/dbraw/zinc/17/59/27/642175927.db2.gz ARKBXLWJDCWQIL-ZDUSSCGKSA-N 1 0 269.410 2.158 20 10 CECDRO CC(C)NC(=[NH2+])NCc1ccc(N2CCCC2)cc1 ZINC000848993210 642213373 /nfs/dbraw/zinc/21/33/73/642213373.db2.gz IZSFHIDMFQGJGS-UHFFFAOYSA-N 1 0 260.385 2.309 20 10 CECDRO Cc1ccc(C[N@H+](C)CCCNC(=O)C2CCC2)c(O)c1 ZINC000877479238 650740535 /nfs/dbraw/zinc/74/05/35/650740535.db2.gz UOXHHMDMVLOYDO-UHFFFAOYSA-N 1 0 290.407 2.439 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c(O)c1 ZINC000877480792 650741500 /nfs/dbraw/zinc/74/15/00/650741500.db2.gz HZKONQUKEOLPHA-AWEZNQCLSA-N 1 0 297.420 2.100 20 10 CECDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCCNC(=O)C1 ZINC000877479702 650741720 /nfs/dbraw/zinc/74/17/20/650741720.db2.gz WHNKCMRRUBRRBH-HNNXBMFYSA-N 1 0 275.396 2.030 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000877486895 650745668 /nfs/dbraw/zinc/74/56/68/650745668.db2.gz SUSWHCQPCRTBKQ-CQSZACIVSA-N 1 0 291.391 2.471 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@]2(CCOC2)O1 ZINC000877492569 650748367 /nfs/dbraw/zinc/74/83/67/650748367.db2.gz LZRMOCPCRMSNHI-NVXWUHKLSA-N 1 0 291.391 2.471 20 10 CECDRO c1cc2c(cc1C[NH2+]CCOC[C@H]1CCOC1)CCCO2 ZINC000921721443 642560972 /nfs/dbraw/zinc/56/09/72/642560972.db2.gz IRFVEXKPAATITR-HNNXBMFYSA-N 1 0 291.391 2.154 20 10 CECDRO C[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000921728641 642563015 /nfs/dbraw/zinc/56/30/15/642563015.db2.gz CRZCFNFSCMJPQO-MRXNPFEDSA-N 1 0 261.365 2.262 20 10 CECDRO COc1cc(C[NH2+][C@@H](C)CC(N)=O)c(O)c(C(C)(C)C)c1 ZINC000850197076 642614590 /nfs/dbraw/zinc/61/45/90/642614590.db2.gz KCKDASMERDFHMZ-JTQLQIEISA-N 1 0 294.395 2.052 20 10 CECDRO Cc1cccc(O)c1C[N@H+](C)CCCn1ccnc1 ZINC000877528041 650768591 /nfs/dbraw/zinc/76/85/91/650768591.db2.gz RVHCMMVCWPTCEU-UHFFFAOYSA-N 1 0 259.353 2.419 20 10 CECDRO CO[C@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)[C@@H]1CCOC1 ZINC000850342855 642672964 /nfs/dbraw/zinc/67/29/64/642672964.db2.gz NYILMFJZHBVWRL-IAQYHMDHSA-N 1 0 299.798 2.495 20 10 CECDRO COC[C@@H](CC[NH2+]C/C=C\c1ccc(N(C)C)cc1)OC ZINC000850345593 642674567 /nfs/dbraw/zinc/67/45/67/642674567.db2.gz FQQFZWPKXTZDDZ-KEGWNNHHSA-N 1 0 292.423 2.407 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CO)C2CCC2)c(O)c1 ZINC000850349879 642676420 /nfs/dbraw/zinc/67/64/20/642676420.db2.gz LBQVXBXMZYHYEZ-AWEZNQCLSA-N 1 0 265.353 2.042 20 10 CECDRO COc1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)c(O)c1 ZINC000850380638 642692035 /nfs/dbraw/zinc/69/20/35/642692035.db2.gz ZTBMBAOGSWPDJC-UHFFFAOYSA-N 1 0 287.363 2.302 20 10 CECDRO CO[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)[C@H]1CCOC1 ZINC000850484443 642728702 /nfs/dbraw/zinc/72/87/02/642728702.db2.gz IXJOAZXMADLHDI-GZBFAFLISA-N 1 0 277.364 2.021 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCn4ccnc43)C2)cc1 ZINC000850489366 642730980 /nfs/dbraw/zinc/73/09/80/642730980.db2.gz XJNJWTBJCWMJDS-BBRMVZONSA-N 1 0 298.390 2.205 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc(Cl)ccc1O ZINC000850546486 642748379 /nfs/dbraw/zinc/74/83/79/642748379.db2.gz JXMSQTNQZRFDFK-JQWIXIFHSA-N 1 0 282.771 2.365 20 10 CECDRO OC1CCN(c2ccc(C[NH2+][C@@H]3CCSC3)cc2)CC1 ZINC000850566517 642753369 /nfs/dbraw/zinc/75/33/69/642753369.db2.gz ORNULGOEBUJDRR-CQSZACIVSA-N 1 0 292.448 2.243 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1nccn1C ZINC000850573222 642754391 /nfs/dbraw/zinc/75/43/91/642754391.db2.gz XCJBSLLZOHUFNH-ZYHUDNBSSA-N 1 0 257.337 2.464 20 10 CECDRO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)c2c1c(F)ccc2O ZINC000850577578 642755896 /nfs/dbraw/zinc/75/58/96/642755896.db2.gz ANMUZPOEPFPZJQ-FTYOSLGDSA-N 1 0 251.301 2.193 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(Br)ccc1O ZINC000850579421 642757161 /nfs/dbraw/zinc/75/71/61/642757161.db2.gz WTKKMLUPPLCTQI-HGNGGELXSA-N 1 0 286.169 2.329 20 10 CECDRO CNC(=O)[C@H](CC(C)C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921939295 642796968 /nfs/dbraw/zinc/79/69/68/642796968.db2.gz XACONCDQPZOFRS-HNNXBMFYSA-N 1 0 290.407 2.262 20 10 CECDRO C[S@](=O)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000922093443 642876487 /nfs/dbraw/zinc/87/64/87/642876487.db2.gz FLQHANKSPNVYJV-FQEVSTJZSA-N 1 0 293.432 2.402 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1(CO)CC1 ZINC000922245041 642977249 /nfs/dbraw/zinc/97/72/49/642977249.db2.gz IQIYRGNPFOWUAA-LBPRGKRZSA-N 1 0 261.365 2.262 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cnn(CCF)c2)c1 ZINC000922285317 642999881 /nfs/dbraw/zinc/99/98/81/642999881.db2.gz ZETJTBHHAKYZFB-UHFFFAOYSA-N 1 0 263.316 2.156 20 10 CECDRO C[C@H]([NH2+]Cc1c2c(nn1C)CCOC2)c1ccccc1O ZINC000922329627 643030810 /nfs/dbraw/zinc/03/08/10/643030810.db2.gz OSCREMGQXULLBL-NSHDSACASA-N 1 0 287.363 2.049 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c(O)c1 ZINC000877603236 650809390 /nfs/dbraw/zinc/80/93/90/650809390.db2.gz IMDDDEZJLBMYTE-CQSZACIVSA-N 1 0 284.363 2.177 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c(O)c1 ZINC000877604736 650810399 /nfs/dbraw/zinc/81/03/99/650810399.db2.gz QANBGLJGCJHFQF-OAHLLOKOSA-N 1 0 279.405 2.409 20 10 CECDRO OC[C@@H](CCc1ccccc1)[NH2+]Cc1ccccc1O ZINC000922545995 643112606 /nfs/dbraw/zinc/11/26/06/643112606.db2.gz XBDTVOHJJOLHNE-MRXNPFEDSA-N 1 0 271.360 2.476 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CCc2c[nH]nn2)cc1 ZINC000851716759 643123116 /nfs/dbraw/zinc/12/31/16/643123116.db2.gz QRNSYDGKQKRFAD-UHFFFAOYSA-N 1 0 287.411 2.325 20 10 CECDRO C[N@H+](CC[C@H]1COC(C)(C)O1)Cc1ccccc1O ZINC000851841887 643186724 /nfs/dbraw/zinc/18/67/24/643186724.db2.gz ZBPZSPBRXKOPSQ-ZDUSSCGKSA-N 1 0 265.353 2.366 20 10 CECDRO Cc1cncc(CC[NH2+]Cc2c(C)cccc2O)n1 ZINC000877633219 650824846 /nfs/dbraw/zinc/82/48/46/650824846.db2.gz DDALLPXYPWAGDH-UHFFFAOYSA-N 1 0 257.337 2.131 20 10 CECDRO COc1cc(C[NH2+]Cc2cc(C)c(C)cc2O)on1 ZINC000877635457 650826708 /nfs/dbraw/zinc/82/67/08/650826708.db2.gz RSBYQDDZSOEGBV-UHFFFAOYSA-N 1 0 262.309 2.295 20 10 CECDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCCO1 ZINC000922815704 643280075 /nfs/dbraw/zinc/28/00/75/643280075.db2.gz FERVFDHAMOOYRU-HNNXBMFYSA-N 1 0 279.336 2.170 20 10 CECDRO COc1ccc(N(C)CC[N@@H+](C)CCC(OC)OC)cc1 ZINC000852211185 643353478 /nfs/dbraw/zinc/35/34/78/643353478.db2.gz HOPATWWJKJEFQU-UHFFFAOYSA-N 1 0 296.411 2.072 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)cc1 ZINC000852534298 643460966 /nfs/dbraw/zinc/46/09/66/643460966.db2.gz KAJVCGOUFBVWEX-HOCLYGCPSA-N 1 0 260.381 2.221 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCO[C@H]2CCOC2)cc1 ZINC000922936526 643463499 /nfs/dbraw/zinc/46/34/99/643463499.db2.gz IPKQYVKTAGKACB-IDOMTICXSA-N 1 0 290.407 2.161 20 10 CECDRO COC[C@@H](C[NH2+]Cc1c(O)cccc1OC)C(C)C ZINC000922949821 643475614 /nfs/dbraw/zinc/47/56/14/643475614.db2.gz UBZMJSQJSMZTQG-GFCCVEGCSA-N 1 0 267.369 2.409 20 10 CECDRO Oc1cncc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000922975323 643485507 /nfs/dbraw/zinc/48/55/07/643485507.db2.gz FNWRULSLFLNXHI-UHFFFAOYSA-N 1 0 270.332 2.402 20 10 CECDRO O[C@@H](C[NH2+]CCCSc1nccs1)c1ccccn1 ZINC000853097671 643652378 /nfs/dbraw/zinc/65/23/78/643652378.db2.gz AMLQATXTIYVPIE-LBPRGKRZSA-N 1 0 295.433 2.344 20 10 CECDRO Cc1cc(CN2C[C@H]3CCC[C@]3([NH3+])C2)ccc1N(C)C ZINC000923398932 643697226 /nfs/dbraw/zinc/69/72/26/643697226.db2.gz OSHCPQQPELHNPU-WBVHZDCISA-N 1 0 273.424 2.374 20 10 CECDRO C[NH2+]C[C@H](C)NCc1cc(Br)cc(C)c1O ZINC000853249390 643721809 /nfs/dbraw/zinc/72/18/09/643721809.db2.gz QNYMZQXOWFEHCO-VIFPVBQESA-N 1 0 287.201 2.161 20 10 CECDRO COc1ccc(C[NH2+]Cc2cccc(C(N)=O)c2)cc1C ZINC000035231671 643753760 /nfs/dbraw/zinc/75/37/60/643753760.db2.gz NQKTVGMFHKUMLL-UHFFFAOYSA-N 1 0 284.359 2.392 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c(O)cc1C ZINC000853591322 643826612 /nfs/dbraw/zinc/82/66/12/643826612.db2.gz PTVNZQXEVQQVLD-TZMCWYRMSA-N 1 0 277.364 2.178 20 10 CECDRO COc1ccc(O)c(C[NH+]2CC3(C2)CCOCC3)c1 ZINC000839141476 644173152 /nfs/dbraw/zinc/17/31/52/644173152.db2.gz QGLKEERUJRWNAN-UHFFFAOYSA-N 1 0 263.337 2.013 20 10 CECDRO CO[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C12CCC2 ZINC000839182686 644181641 /nfs/dbraw/zinc/18/16/41/644181641.db2.gz PAXABGJZFBMALA-GJZGRUSLSA-N 1 0 291.347 2.168 20 10 CECDRO C[C@H]1COCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000753988206 644306876 /nfs/dbraw/zinc/30/68/76/644306876.db2.gz VKJJKSCWVOLOIQ-GFCCVEGCSA-N 1 0 261.365 2.349 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCCc2cnn(C)c2)cc1F ZINC000113333410 644356953 /nfs/dbraw/zinc/35/69/53/644356953.db2.gz VZJIOHUBIABTQN-UHFFFAOYSA-N 1 0 290.386 2.348 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)c1O ZINC000877796930 650913856 /nfs/dbraw/zinc/91/38/56/650913856.db2.gz NIRXWXOVRMRAIR-ZDUSSCGKSA-N 1 0 279.380 2.384 20 10 CECDRO CC[C@@H]([NH2+]C[C@](C)(O)COC)c1cccc(Cl)c1[O-] ZINC000806140723 644423435 /nfs/dbraw/zinc/42/34/35/644423435.db2.gz ZOSPYCBZKMWRLU-OCCSQVGLSA-N 1 0 287.787 2.484 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H](CO)CC2CC2)cc1F ZINC000754832605 644437655 /nfs/dbraw/zinc/43/76/55/644437655.db2.gz GRWZRNIGLAHAIL-ZDUSSCGKSA-N 1 0 266.360 2.142 20 10 CECDRO CC(C)NC(=O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756359798 644635474 /nfs/dbraw/zinc/63/54/74/644635474.db2.gz DLFCRROGXKYDKR-GXSJLCMTSA-N 1 0 280.343 2.194 20 10 CECDRO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756359802 644635673 /nfs/dbraw/zinc/63/56/73/644635673.db2.gz DLFCRROGXKYDKR-KOLCDFICSA-N 1 0 280.343 2.194 20 10 CECDRO CC[S@](=O)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756577952 644671599 /nfs/dbraw/zinc/67/15/99/644671599.db2.gz SYZQGSPMKMDOLZ-OKAXRFMISA-N 1 0 285.384 2.438 20 10 CECDRO C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(F)ccc1O ZINC000756583063 644671621 /nfs/dbraw/zinc/67/16/21/644671621.db2.gz MMTCXSJRCZIZRC-YPMHNXCESA-N 1 0 283.343 2.378 20 10 CECDRO C[C@H]([NH2+]CC1(CO)CC1)c1cc(Cl)ccc1O ZINC000756638005 644676899 /nfs/dbraw/zinc/67/68/99/644676899.db2.gz PWJUEBNQSXDABU-VIFPVBQESA-N 1 0 255.745 2.469 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)c2c1c(F)ccc2O ZINC000756637193 644677007 /nfs/dbraw/zinc/67/70/07/644677007.db2.gz HCXGVRWFIPUXGB-USWWRNFRSA-N 1 0 292.354 2.290 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c(O)c1 ZINC000756738297 644688131 /nfs/dbraw/zinc/68/81/31/644688131.db2.gz NUMAFTSXYBUJDH-BLLLJJGKSA-N 1 0 279.380 2.139 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(N)=O)c2c1c(F)ccc2O ZINC000756782957 644692137 /nfs/dbraw/zinc/69/21/37/644692137.db2.gz XAJUINANMLSZLO-WCBMZHEXSA-N 1 0 280.343 2.181 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCn2cncn2)c(O)c1C ZINC000756829145 644696358 /nfs/dbraw/zinc/69/63/58/644696358.db2.gz CWANXEXFHXVVHZ-CYBMUJFWSA-N 1 0 274.368 2.341 20 10 CECDRO CCCCNC(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000839538399 644741659 /nfs/dbraw/zinc/74/16/59/644741659.db2.gz CGEDMJVDSYLZED-GFCCVEGCSA-N 1 0 294.395 2.358 20 10 CECDRO CN(C)c1ccc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857230144 644860881 /nfs/dbraw/zinc/86/08/81/644860881.db2.gz ODJANBKOLXDTOA-HOCLYGCPSA-N 1 0 259.397 2.066 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)CC(F)F)cc1C ZINC000758614006 644945155 /nfs/dbraw/zinc/94/51/55/644945155.db2.gz FSZBHACWTQMGFJ-NSHDSACASA-N 1 0 259.296 2.115 20 10 CECDRO CCc1cccc(C[N@@H+]2CCc3n[nH]cc3C2)c1O ZINC000857876643 644993586 /nfs/dbraw/zinc/99/35/86/644993586.db2.gz IHKKXEATPJYZPM-UHFFFAOYSA-N 1 0 257.337 2.236 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1F ZINC000858128029 645069597 /nfs/dbraw/zinc/06/95/97/645069597.db2.gz YOZUATWSLNFPJS-GFCCVEGCSA-N 1 0 295.377 2.357 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H]2C[C@@H](O)C2)cc1 ZINC000858294776 645109645 /nfs/dbraw/zinc/10/96/45/645109645.db2.gz NTVNUTIWUYUSNC-RDTNEVNZSA-N 1 0 260.381 2.126 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000858471140 645172362 /nfs/dbraw/zinc/17/23/62/645172362.db2.gz BLCSYDFCTUXCDC-PWSUYJOCSA-N 1 0 291.347 2.313 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000858472082 645172457 /nfs/dbraw/zinc/17/24/57/645172457.db2.gz FRZNOMHHKPBIAT-CMPLNLGQSA-N 1 0 261.321 2.305 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Cl)ccc1O ZINC000858522534 645191103 /nfs/dbraw/zinc/19/11/03/645191103.db2.gz FTRKZNCWEDNIHR-CMPLNLGQSA-N 1 0 284.787 2.027 20 10 CECDRO C[NH+](C)[C@H]1CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000760921069 645210993 /nfs/dbraw/zinc/21/09/93/645210993.db2.gz MFENKIURVKIAQY-JTQLQIEISA-N 1 0 268.382 2.010 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C2CC(O)C2)cc1 ZINC000761223361 645259228 /nfs/dbraw/zinc/25/92/28/645259228.db2.gz PXJJWBNTROYJEP-UHFFFAOYSA-N 1 0 262.397 2.488 20 10 CECDRO CN(C[C@H]1CCCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761221848 645259371 /nfs/dbraw/zinc/25/93/71/645259371.db2.gz FRRCWPKOZSGRHC-OAHLLOKOSA-N 1 0 292.423 2.490 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@H](CO)CC(F)F)c1O ZINC000763536608 645555395 /nfs/dbraw/zinc/55/53/95/645555395.db2.gz DQMHLOQLOISOJF-JTQLQIEISA-N 1 0 279.714 2.460 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CC(=O)NC)cc1F ZINC000765883704 645818856 /nfs/dbraw/zinc/81/88/56/645818856.db2.gz YGDFNQYJULPTMS-LBPRGKRZSA-N 1 0 295.402 2.286 20 10 CECDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1c(O)cccc1OC ZINC000768172231 646093367 /nfs/dbraw/zinc/09/33/67/646093367.db2.gz NSHGCIMMFVURDH-VXGBXAGGSA-N 1 0 265.353 2.400 20 10 CECDRO CCCC[N@H+](CC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441279 646123018 /nfs/dbraw/zinc/12/30/18/646123018.db2.gz IRQCWBQAUQNRQB-CQSZACIVSA-N 1 0 265.353 2.440 20 10 CECDRO COC[C@@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000768444799 646124152 /nfs/dbraw/zinc/12/41/52/646124152.db2.gz CUPWDHUKEUNGAJ-GFCCVEGCSA-N 1 0 265.353 2.178 20 10 CECDRO CSC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768464003 646126284 /nfs/dbraw/zinc/12/62/84/646126284.db2.gz YTWMQEVAEFLGPZ-BXUZGUMPSA-N 1 0 295.404 2.145 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CCC(C(F)F)CC1)[C@@H](O)CO2 ZINC000768463369 646126582 /nfs/dbraw/zinc/12/65/82/646126582.db2.gz SCRAZICBDFAELP-ZDUSSCGKSA-N 1 0 299.317 2.295 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1C ZINC000768465202 646127564 /nfs/dbraw/zinc/12/75/64/646127564.db2.gz YNNSFAYHGUBEGW-RULNRJAQSA-N 1 0 263.337 2.048 20 10 CECDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc3c(cc2O)OCO3)C[C@H]1C ZINC000769467832 646272519 /nfs/dbraw/zinc/27/25/19/646272519.db2.gz ZRGINNBMGHMFGP-VXGBXAGGSA-N 1 0 292.379 2.035 20 10 CECDRO Oc1cccc(Br)c1C[N@H+]1CCC[C@H](O)C1 ZINC000862211393 646364519 /nfs/dbraw/zinc/36/45/19/646364519.db2.gz IJSBESMPHANZAY-VIFPVBQESA-N 1 0 286.169 2.111 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770285920 646377448 /nfs/dbraw/zinc/37/74/48/646377448.db2.gz LSNBGXOZXUEVOH-TZMCWYRMSA-N 1 0 277.364 2.402 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@H]1O ZINC000862253783 646383066 /nfs/dbraw/zinc/38/30/66/646383066.db2.gz SNIDHYFQROJIMU-MEBBXXQBSA-N 1 0 284.350 2.234 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2ccc(OCC)cc2O)CC1 ZINC000770665317 646423512 /nfs/dbraw/zinc/42/35/12/646423512.db2.gz IUWVWWBTHQYJTE-UHFFFAOYSA-N 1 0 293.363 2.224 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000862465314 646470221 /nfs/dbraw/zinc/47/02/21/646470221.db2.gz GWMJRCYEHSKSGM-CYBMUJFWSA-N 1 0 261.321 2.052 20 10 CECDRO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000862486778 646477206 /nfs/dbraw/zinc/47/72/06/646477206.db2.gz HWRMGSFJPYMQPR-AWEZNQCLSA-N 1 0 275.348 2.442 20 10 CECDRO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cn1cnnc1 ZINC000118979435 646515332 /nfs/dbraw/zinc/51/53/32/646515332.db2.gz ISOJITYAYZJNDX-UHFFFAOYSA-N 1 0 285.395 2.358 20 10 CECDRO CCC1(O)CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000771873057 646562963 /nfs/dbraw/zinc/56/29/63/646562963.db2.gz AQDLZBUVBIZYKH-UHFFFAOYSA-N 1 0 293.363 2.294 20 10 CECDRO C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)ccc1O ZINC000863545725 646752688 /nfs/dbraw/zinc/75/26/88/646752688.db2.gz GZHHHVJMLBJENS-CKYFFXLPSA-N 1 0 252.333 2.322 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000773730215 646770396 /nfs/dbraw/zinc/77/03/96/646770396.db2.gz MAFOBDZAHXWYOY-INIZCTEOSA-N 1 0 262.397 2.490 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 ZINC000773749296 646772734 /nfs/dbraw/zinc/77/27/34/646772734.db2.gz SASSSWBXWUOPFA-ZFWWWQNUSA-N 1 0 289.423 2.229 20 10 CECDRO CCOc1cccc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1O ZINC000863651510 646777207 /nfs/dbraw/zinc/77/72/07/646777207.db2.gz KDBFLEFOOIWWCV-CALCHBBNSA-N 1 0 290.407 2.222 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)C[N@H+](C)C2CCC2)c1 ZINC000863865623 646838606 /nfs/dbraw/zinc/83/86/06/646838606.db2.gz IGTORJGPNNLKOF-NSHDSACASA-N 1 0 292.379 2.062 20 10 CECDRO COCC[C@@H](COC)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000810173818 646961339 /nfs/dbraw/zinc/96/13/39/646961339.db2.gz KFHRXOJHIXUOLJ-ZDUSSCGKSA-N 1 0 284.375 2.033 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)COCCOC)c1ccccc1O ZINC000775527216 646962540 /nfs/dbraw/zinc/96/25/40/646962540.db2.gz PCOVTIFEBZXSBY-JSGCOSHPSA-N 1 0 267.369 2.484 20 10 CECDRO Cc1cc(Cl)cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1O ZINC000775746926 646986341 /nfs/dbraw/zinc/98/63/41/646986341.db2.gz HYKUJMKDPUQAFN-TXEJJXNPSA-N 1 0 266.772 2.005 20 10 CECDRO CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775830164 646997168 /nfs/dbraw/zinc/99/71/68/646997168.db2.gz DXOPCCZSOYDGRT-CHWSQXEVSA-N 1 0 277.412 2.318 20 10 CECDRO C[C@H]([NH2+]CC(=O)Nc1ccon1)c1ccc(N(C)C)cc1 ZINC000775832683 646997300 /nfs/dbraw/zinc/99/73/00/646997300.db2.gz AABDCHMSLOCMDC-NSHDSACASA-N 1 0 288.351 2.030 20 10 CECDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1c(O)ccc2c1CCCC2 ZINC000864460808 647015464 /nfs/dbraw/zinc/01/54/64/647015464.db2.gz KCNLGFKONQYXIY-YGRLFVJLSA-N 1 0 273.380 2.293 20 10 CECDRO C[NH+](C)CCn1cc(NCc2cccc(Cl)c2O)cn1 ZINC000776172484 647031344 /nfs/dbraw/zinc/03/13/44/647031344.db2.gz YHNZZKRDBAJEET-UHFFFAOYSA-N 1 0 294.786 2.416 20 10 CECDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776253292 647042606 /nfs/dbraw/zinc/04/26/06/647042606.db2.gz VBOIREYJAUJRPM-STQMWFEESA-N 1 0 296.798 2.358 20 10 CECDRO CC[C@H](COC)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000120225235 647102779 /nfs/dbraw/zinc/10/27/79/647102779.db2.gz PCOIYSVESNAODR-GFCCVEGCSA-N 1 0 254.349 2.406 20 10 CECDRO C[C@H](NC(=S)NC1CC[NH+](C)CC1)c1ccccc1O ZINC000865269813 647225182 /nfs/dbraw/zinc/22/51/82/647225182.db2.gz BHWFRHVTWHEJGP-NSHDSACASA-N 1 0 293.436 2.012 20 10 CECDRO CC[N@@H+](Cc1cc(F)ccc1O)C[C@H]1CCOC1 ZINC000778996971 647279223 /nfs/dbraw/zinc/27/92/23/647279223.db2.gz XYDFBYSBKCAIQN-LLVKDONJSA-N 1 0 253.317 2.390 20 10 CECDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(OCC)cc1O ZINC000865663003 647412964 /nfs/dbraw/zinc/41/29/64/647412964.db2.gz JAKSWBWOTWMVSR-ZDUSSCGKSA-N 1 0 267.369 2.432 20 10 CECDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865662611 647413039 /nfs/dbraw/zinc/41/30/39/647413039.db2.gz BVUMHDPQTMYGBF-INIZCTEOSA-N 1 0 292.423 2.164 20 10 CECDRO COC(C)(C)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000865756096 647453344 /nfs/dbraw/zinc/45/33/44/647453344.db2.gz CXLNKFIAGSSHOS-UHFFFAOYSA-N 1 0 292.423 2.428 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H](COC)OC)cc1F ZINC000781415392 647525607 /nfs/dbraw/zinc/52/56/07/647525607.db2.gz IJNWDWGHSRYXQI-AWEZNQCLSA-N 1 0 298.402 2.423 20 10 CECDRO CN(CC[C@H]1CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000783667713 647745954 /nfs/dbraw/zinc/74/59/54/647745954.db2.gz JJMZDTOVHDVHOI-HNNXBMFYSA-N 1 0 292.423 2.490 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCNC2=O)c2c1c(F)ccc2O ZINC000840826179 647839245 /nfs/dbraw/zinc/83/92/45/647839245.db2.gz RYEILTMQNIMCPC-FOGDFJRCSA-N 1 0 292.354 2.195 20 10 CECDRO CC[NH+](CC)CCCNC(=O)N[C@H](C)c1ccccc1O ZINC000868014014 648021627 /nfs/dbraw/zinc/02/16/27/648021627.db2.gz TYVDBLKXAJAOJB-CYBMUJFWSA-N 1 0 293.411 2.484 20 10 CECDRO CO[C@H](CC[NH2+]Cc1ccccc1O)C(F)(F)F ZINC000786824606 648048170 /nfs/dbraw/zinc/04/81/70/648048170.db2.gz XFTADAVIQBJMPM-LLVKDONJSA-N 1 0 263.259 2.449 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)[C@@H]1C ZINC000787237370 648089147 /nfs/dbraw/zinc/08/91/47/648089147.db2.gz FURWTULQBKIRED-OCCSQVGLSA-N 1 0 277.364 2.392 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)[C@@H]1C ZINC000787243389 648090102 /nfs/dbraw/zinc/09/01/02/648090102.db2.gz WJXUJEUAIYUQSH-YPMHNXCESA-N 1 0 293.363 2.093 20 10 CECDRO CCOc1ccc(C[N@H+](CCOC)[C@@H]2CCOC2)c(O)c1 ZINC000787334962 648100750 /nfs/dbraw/zinc/10/07/50/648100750.db2.gz NUPATHKFGKNLSX-CQSZACIVSA-N 1 0 295.379 2.028 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)[C@H]1C ZINC000787420630 648107489 /nfs/dbraw/zinc/10/74/89/648107489.db2.gz JRIPXIHIUUBXCV-VHSXEESVSA-N 1 0 283.755 2.429 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000792204152 648625582 /nfs/dbraw/zinc/62/55/82/648625582.db2.gz XIJAOPAAZBSLKK-BXKDBHETSA-N 1 0 283.755 2.477 20 10 CECDRO CC(C)(C)OC(=O)N1CC([NH2+]Cc2ccccc2O)C1 ZINC000122948296 648706204 /nfs/dbraw/zinc/70/62/04/648706204.db2.gz CPYILNAHOAVKST-UHFFFAOYSA-N 1 0 278.352 2.101 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccc(F)nc2)c(O)c1 ZINC000793386449 648749209 /nfs/dbraw/zinc/74/92/09/648749209.db2.gz QROGYEGFQNMGSH-UHFFFAOYSA-N 1 0 262.284 2.225 20 10 CECDRO OCC[C@H]1CCCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000793607647 648781467 /nfs/dbraw/zinc/78/14/67/648781467.db2.gz BLYKRICFDVFTPR-CYBMUJFWSA-N 1 0 293.363 2.248 20 10 CECDRO C[C@@H](NC(=O)CCC1CC[NH2+]CC1)c1ccccc1O ZINC000870988794 648971733 /nfs/dbraw/zinc/97/17/33/648971733.db2.gz ZPIFUEJUYUKZJY-GFCCVEGCSA-N 1 0 276.380 2.349 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)c2c1c(F)ccc2O ZINC000872127361 649285805 /nfs/dbraw/zinc/28/58/05/649285805.db2.gz VHCGOZYDJTZSCO-BFLSOPEQSA-N 1 0 265.328 2.440 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)NCCF)cc1C ZINC000873122323 649562738 /nfs/dbraw/zinc/56/27/38/649562738.db2.gz QDMCRMLYWJMGSM-ZDUSSCGKSA-N 1 0 296.386 2.348 20 10 CECDRO CN(C)c1ccc(/C=C\CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873216535 649593038 /nfs/dbraw/zinc/59/30/38/649593038.db2.gz PWWNHTCVWBNDSS-SSGMOAHOSA-N 1 0 271.408 2.202 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C[NH3+] ZINC000873217342 649594182 /nfs/dbraw/zinc/59/41/82/649594182.db2.gz ZZOYOKPEMYWQHN-MWLCHTKSSA-N 1 0 254.761 2.072 20 10 CECDRO CC(C)(CO)C[NH2+]Cc1cc(Br)ccc1O ZINC000124967530 649766768 /nfs/dbraw/zinc/76/67/68/649766768.db2.gz DQTCHVSISNIPTC-UHFFFAOYSA-N 1 0 288.185 2.263 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1ccccc1O ZINC000879649580 651335221 /nfs/dbraw/zinc/33/52/21/651335221.db2.gz WLEWJUVRPTZGFJ-MNOVXSKESA-N 1 0 261.321 2.139 20 10 CECDRO C[C@H]([NH2+]CCC1OCCCO1)c1ccccc1O ZINC000879650969 651335660 /nfs/dbraw/zinc/33/56/60/651335660.db2.gz ANHYQPLXKUSXSY-NSHDSACASA-N 1 0 251.326 2.196 20 10 CECDRO CC(C)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1=O ZINC000879650991 651335808 /nfs/dbraw/zinc/33/58/08/651335808.db2.gz BZFTVGORSKVCRC-GXTWGEPZSA-N 1 0 276.380 2.442 20 10 CECDRO CC(C)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1=O ZINC000879650992 651335877 /nfs/dbraw/zinc/33/58/77/651335877.db2.gz BZFTVGORSKVCRC-JSGCOSHPSA-N 1 0 276.380 2.442 20 10 CECDRO CCOc1cccc(C[NH2+]CC[C@@H](C)[S@@](C)=O)c1O ZINC000129336273 651918383 /nfs/dbraw/zinc/91/83/83/651918383.db2.gz TVMOTDHZALTPLP-WYRIXSBYSA-N 1 0 285.409 2.038 20 10 CECDRO COc1cc(C[NH2+]CCN(C)OC)c(O)c(C(C)(C)C)c1 ZINC000883170710 652387884 /nfs/dbraw/zinc/38/78/84/652387884.db2.gz AFPINFGTXINVCU-UHFFFAOYSA-N 1 0 296.411 2.281 20 10 CECDRO CCN1CC[C@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000883359281 652442462 /nfs/dbraw/zinc/44/24/62/652442462.db2.gz CKDOEOLAULOLAI-RTRPANQVSA-N 1 0 273.424 2.450 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC[S@](C)=O)cc1 ZINC000134742571 652871713 /nfs/dbraw/zinc/87/17/13/652871713.db2.gz XTXBWMGLCKSYQI-GOSISDBHSA-N 1 0 268.426 2.001 20 10 CECDRO Cc1cc(C[NH2+][C@@H](C)CC(N)=O)c(C)n1-c1ccccc1 ZINC000136099601 653042507 /nfs/dbraw/zinc/04/25/07/653042507.db2.gz LPUHOANRMRSMDV-LBPRGKRZSA-N 1 0 285.391 2.448 20 10 CECDRO Oc1cc(O)c(CCNc2cccn3c[nH+]cc23)cc1O ZINC001168014599 805733538 /nfs/dbraw/zinc/73/35/38/805733538.db2.gz UOBULTCLCJZCDE-UHFFFAOYSA-N 1 0 285.303 2.106 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(O)c1 ZINC000093507458 806513385 /nfs/dbraw/zinc/51/33/85/806513385.db2.gz SFIVBZPQOMRXME-CJNGLKHVSA-N 1 0 277.364 2.402 20 10 CECDRO C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142527073 806619375 /nfs/dbraw/zinc/61/93/75/806619375.db2.gz JRXZDIDTSWFPTH-UHFFFAOYSA-N 1 0 282.334 2.198 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nn(C)cc2C)c1 ZINC000723488189 802874241 /nfs/dbraw/zinc/87/42/41/802874241.db2.gz KZFVTMXCARJMIP-LLVKDONJSA-N 1 0 275.352 2.294 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)CC2 ZINC000690723677 802881013 /nfs/dbraw/zinc/88/10/13/802881013.db2.gz BFRBYWQWZNCAIV-CMPLNLGQSA-N 1 0 269.291 2.393 20 10 CECDRO C[C@@H]1C[N@H+](Cc2c([O-])ccc(F)c2F)CCC[C@H]1C[NH3+] ZINC001206026831 811839744 /nfs/dbraw/zinc/83/97/44/811839744.db2.gz UCCYUGVTZYMXPT-MNOVXSKESA-N 1 0 284.350 2.477 20 10 CECDRO Cc1cccc(C[NH2+]CCO[C@@H]2CC2(F)F)c1O ZINC000690726777 803031379 /nfs/dbraw/zinc/03/13/79/803031379.db2.gz YSFMCVZYPNLPMF-LLVKDONJSA-N 1 0 257.280 2.214 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c1O ZINC000724814557 803490623 /nfs/dbraw/zinc/49/06/23/803490623.db2.gz QYPKVPVOFYLABX-DGCLKSJQSA-N 1 0 263.337 2.012 20 10 CECDRO COC(=O)C1(C)CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140949365 803623347 /nfs/dbraw/zinc/62/33/47/803623347.db2.gz AAVZDIMBPXWVIZ-UHFFFAOYSA-N 1 0 277.364 2.476 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC001118808232 815047073 /nfs/dbraw/zinc/04/70/73/815047073.db2.gz PNERKTMYFIPHAD-OSRDXIQISA-N 1 0 291.391 2.378 20 10 CECDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000165293766 807053658 /nfs/dbraw/zinc/05/36/58/807053658.db2.gz CSKMDIOGEBURIX-UHFFFAOYSA-N 1 0 277.412 2.134 20 10 CECDRO CN1CC[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000712572001 805387426 /nfs/dbraw/zinc/38/74/26/805387426.db2.gz LCSXVZXSSVECPF-MRXNPFEDSA-N 1 0 259.397 2.081 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COC[C@@H]2C)c1 ZINC000699834563 807865057 /nfs/dbraw/zinc/86/50/57/807865057.db2.gz ITQWYBAWCRTVTA-KWBADKCTSA-N 1 0 251.326 2.086 20 10 CECDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)CC(N)=O ZINC000168829372 807871869 /nfs/dbraw/zinc/87/18/69/807871869.db2.gz UMKMMOYKLBGMAC-OUAUKWLOSA-N 1 0 262.353 2.102 20 10 CECDRO Cc1cc(O)c(CN2C[C@H]3CC[C@]3([NH3+])C2)cc1Cl ZINC001235986802 807907045 /nfs/dbraw/zinc/90/70/45/807907045.db2.gz CXTXWMIRRGIPQA-RISCZKNCSA-N 1 0 266.772 2.277 20 10 CECDRO Oc1cc(Cl)c(Cl)cc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236300216 808061144 /nfs/dbraw/zinc/06/11/44/808061144.db2.gz ZUHLCMMLHHZHEO-GZMMTYOYSA-N 1 0 273.163 2.103 20 10 CECDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(N)cc3)C2)[nH]1 ZINC001120263821 815209259 /nfs/dbraw/zinc/20/92/59/815209259.db2.gz WIIUEIKFPBKYEO-CYBMUJFWSA-N 1 0 271.368 2.075 20 10 CECDRO CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)cc1O)CC2 ZINC001272764560 808628386 /nfs/dbraw/zinc/62/83/86/808628386.db2.gz AZKPNGVTASOJFJ-AWEZNQCLSA-N 1 0 288.391 2.049 20 10 CECDRO CO[C@H]1C[C@@H](CN2CCCc3cc(C[NH3+])ccc32)C1 ZINC000721955168 808977827 /nfs/dbraw/zinc/97/78/27/808977827.db2.gz MFAPWCSPEZHVGH-OTVXOJSOSA-N 1 0 260.381 2.323 20 10 CECDRO CCN1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)CC1=O ZINC001172030875 815273704 /nfs/dbraw/zinc/27/37/04/815273704.db2.gz FJDVGCANSGZWSD-AWEZNQCLSA-N 1 0 276.380 2.104 20 10 CECDRO CCOC(=O)[C@@H](CC)N1CCCc2cc(C[NH3+])ccc21 ZINC000700969739 809375223 /nfs/dbraw/zinc/37/52/23/809375223.db2.gz OLWZMWTVPFUOFQ-CQSZACIVSA-N 1 0 276.380 2.240 20 10 CECDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(Br)cc1O ZINC000701015867 809379060 /nfs/dbraw/zinc/37/90/60/809379060.db2.gz SCZRKDKGCQIXEU-BDAKNGLRSA-N 1 0 288.185 2.404 20 10 CECDRO CC(C)CC[C@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000704467093 809735636 /nfs/dbraw/zinc/73/56/36/809735636.db2.gz SVCRQBJSKFTNJN-ZDUSSCGKSA-N 1 0 264.369 2.114 20 10 CECDRO C[NH+](C)CCCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708440988 809931369 /nfs/dbraw/zinc/93/13/69/809931369.db2.gz GQAIKYOWVKAGDQ-UHFFFAOYSA-N 1 0 258.312 2.102 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@H](C)C[S@@](C)=O)c1O ZINC000709309429 809960036 /nfs/dbraw/zinc/96/00/36/809960036.db2.gz UXZMZKNDDCWIPR-ADLMAVQZSA-N 1 0 269.410 2.153 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709827393 809971849 /nfs/dbraw/zinc/97/18/49/809971849.db2.gz KXUZVIROQIEJLO-HNNXBMFYSA-N 1 0 264.344 2.107 20 10 CECDRO CC[C@H](C)OCC[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1 ZINC001172314921 815368123 /nfs/dbraw/zinc/36/81/23/815368123.db2.gz IACTWOUZRHVTEB-MKBNYLNASA-N 1 0 297.395 2.315 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168985939 811313232 /nfs/dbraw/zinc/31/32/32/811313232.db2.gz VSZINGOOXYCEAM-KBPBESRZSA-N 1 0 277.368 2.288 20 10 CECDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC001169447972 811514759 /nfs/dbraw/zinc/51/47/59/811514759.db2.gz XZSKTKYORRTHBQ-ZDUSSCGKSA-N 1 0 278.396 2.437 20 10 CECDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc(Br)cc1O ZINC000691456942 811861095 /nfs/dbraw/zinc/86/10/95/811861095.db2.gz XPDMUPWWJBRBKP-LLVKDONJSA-N 1 0 288.185 2.261 20 10 CECDRO Cc1ncc(C[NH2+]Cc2cc(Cl)ccc2O)n1C ZINC000689197983 811950730 /nfs/dbraw/zinc/95/07/30/811950730.db2.gz FICSQRHBQDHGOJ-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](CC)CCO)c1O ZINC000691485097 811951705 /nfs/dbraw/zinc/95/17/05/811951705.db2.gz YLNYMHCTBQBPMP-GFCCVEGCSA-N 1 0 251.370 2.453 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@H](C)O ZINC000691486628 811959249 /nfs/dbraw/zinc/95/92/49/811959249.db2.gz AYITYVZVHNWVKC-GZMMTYOYSA-N 1 0 288.185 2.404 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000387940228 813225300 /nfs/dbraw/zinc/22/53/00/813225300.db2.gz ILAGWDGJSJTDSP-HUUCEWRRSA-N 1 0 262.397 2.393 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H](OC)C2CC2)c1 ZINC000388240759 813233636 /nfs/dbraw/zinc/23/36/36/813233636.db2.gz QNDODUNXIXYKOJ-BONVTDFDSA-N 1 0 265.353 2.304 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCN(C3CC3)C1)CC2 ZINC000389088050 813247332 /nfs/dbraw/zinc/24/73/32/813247332.db2.gz FYPYJFSWNCJGBK-JSGCOSHPSA-N 1 0 258.365 2.206 20 10 CECDRO CCCN1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000389205087 813249219 /nfs/dbraw/zinc/24/92/19/813249219.db2.gz ATUONIACFVAWCX-UONOGXRCSA-N 1 0 260.381 2.453 20 10 CECDRO CC[C@@H]([NH2+][C@H](CCOC)COC)c1ccccc1O ZINC000394096670 813336204 /nfs/dbraw/zinc/33/62/04/813336204.db2.gz RDWSQKCMTLFDNI-TZMCWYRMSA-N 1 0 267.369 2.484 20 10 CECDRO C[C@H]([NH2+]CCC1(CO)CC1)c1cc(F)ccc1O ZINC000395922075 813548763 /nfs/dbraw/zinc/54/87/63/813548763.db2.gz DFBPQLQMDDFRGR-JTQLQIEISA-N 1 0 253.317 2.345 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)nn2)c1 ZINC000396576848 813575031 /nfs/dbraw/zinc/57/50/31/813575031.db2.gz PZCOLNLVHSYLTM-LLVKDONJSA-N 1 0 273.336 2.350 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CC1=CCOCC1 ZINC000397860856 813642698 /nfs/dbraw/zinc/64/26/98/813642698.db2.gz XONPFSRMAJYDMO-UHFFFAOYSA-N 1 0 253.729 2.482 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H]2CC[C@H](C)O2)c1O ZINC000398072108 813655150 /nfs/dbraw/zinc/65/51/50/813655150.db2.gz AHCCKYQYRVNMKM-WCQYABFASA-N 1 0 265.353 2.448 20 10 CECDRO [NH3+][C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CC(F)(F)C1 ZINC001206117866 814034810 /nfs/dbraw/zinc/03/48/10/814034810.db2.gz XYEKRTKRQLGQMN-AWEZNQCLSA-N 1 0 295.377 2.455 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144503854 814092288 /nfs/dbraw/zinc/09/22/88/814092288.db2.gz GFDAAOLEUMOMCC-JTQLQIEISA-N 1 0 251.326 2.425 20 10 CECDRO Oc1cccc2c1C[C@H]([NH2+]Cc1cc3c(cc1O)OCO3)C2 ZINC000758545116 814237773 /nfs/dbraw/zinc/23/77/73/814237773.db2.gz MEKDCRHKZLKHAH-GFCCVEGCSA-N 1 0 299.326 2.084 20 10 CECDRO COc1cccc(C[NH2+]Cc2ccc(C)cn2)c1O ZINC000400948507 814695866 /nfs/dbraw/zinc/69/58/66/814695866.db2.gz STYPNSOKAHNVGP-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000712555780 814766028 /nfs/dbraw/zinc/76/60/28/814766028.db2.gz HIJWXMFMQVIHCI-BBRMVZONSA-N 1 0 261.413 2.497 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c1O ZINC000713480295 814858465 /nfs/dbraw/zinc/85/84/65/814858465.db2.gz FSRPMKAYZFINLI-KGLIPLIRSA-N 1 0 277.364 2.448 20 10 CECDRO CC(C)CNC(=O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC001116569040 814865862 /nfs/dbraw/zinc/86/58/62/814865862.db2.gz YZVDGZXHPRECKY-ZYHUDNBSSA-N 1 0 294.370 2.441 20 10 CECDRO CC[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccccc1O ZINC000714353738 814897653 /nfs/dbraw/zinc/89/76/53/814897653.db2.gz ZRIJVKSYMFAOPL-OCCSQVGLSA-N 1 0 297.420 2.400 20 10 CECDRO C[N@@H+]1CCC[C@@H]2CN(Cc3c(O)cccc3F)C[C@H]21 ZINC001137840241 815694991 /nfs/dbraw/zinc/69/49/91/815694991.db2.gz UKTRTTVWNATNAY-BXUZGUMPSA-N 1 0 264.344 2.057 20 10 CECDRO COC(=O)CCCC[C@@H](C)[NH2+]Cc1cccc(O)c1O ZINC001173441300 815718552 /nfs/dbraw/zinc/71/85/52/815718552.db2.gz NKKWVZNLDDKOGO-LLVKDONJSA-N 1 0 281.352 2.309 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CCC[C@@H]1O ZINC001138123711 815731131 /nfs/dbraw/zinc/73/11/31/815731131.db2.gz ILYQKPFYZPBJSU-MFKMUULPSA-N 1 0 253.317 2.124 20 10 CECDRO COC(=O)CC[N@H+](Cc1cccc(F)c1[O-])C1CC1 ZINC001138129884 815733954 /nfs/dbraw/zinc/73/39/54/815733954.db2.gz XVNWLNAWBPRVBT-UHFFFAOYSA-N 1 0 267.300 2.059 20 10 CECDRO CC[NH+](CC)C[C@H]1CN(Cc2cccc(F)c2O)CCO1 ZINC001138130930 815736667 /nfs/dbraw/zinc/73/66/67/815736667.db2.gz LSUMBDGVODZHKR-AWEZNQCLSA-N 1 0 296.386 2.074 20 10 CECDRO COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@H](F)C2)c(O)c1 ZINC001249201135 815739037 /nfs/dbraw/zinc/73/90/37/815739037.db2.gz GVSOIRZAZSUSQQ-CYBMUJFWSA-N 1 0 281.327 2.042 20 10 CECDRO C[N@H+](Cc1cc(O)cc(O)c1)Cc1ccccc1O ZINC001138330900 815768929 /nfs/dbraw/zinc/76/89/29/815768929.db2.gz CVJZXLZSXPWVAF-UHFFFAOYSA-N 1 0 259.305 2.435 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CC[C@H]1O ZINC001138354377 815772711 /nfs/dbraw/zinc/77/27/11/815772711.db2.gz HLQVRYUTXXFCHN-CXAGYDPISA-N 1 0 274.408 2.272 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCCC[C@H]3CO)ccc21 ZINC001138354173 815773472 /nfs/dbraw/zinc/77/34/72/815773472.db2.gz YBMLQQXEMSPYBE-INIZCTEOSA-N 1 0 274.408 2.416 20 10 CECDRO Oc1cccnc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001138396615 815790287 /nfs/dbraw/zinc/79/02/87/815790287.db2.gz VOFVUXJQHYIAKM-UHFFFAOYSA-N 1 0 286.331 2.147 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC[C@@H](n2ncnn2)C1)c1ccccc1O ZINC001173734484 815804904 /nfs/dbraw/zinc/80/49/04/815804904.db2.gz FWZNBLHHGMSPSS-RWMBFGLXSA-N 1 0 287.367 2.213 20 10 CECDRO O=C1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC001138498561 815817415 /nfs/dbraw/zinc/81/74/15/815817415.db2.gz ZFBMDBJPLRZSAV-UHFFFAOYSA-N 1 0 288.391 2.078 20 10 CECDRO CCC[N@H+]1C[C@H]2CN(Cc3c(F)ccc(F)c3[O-])C[C@H]2C1 ZINC001139686869 816083322 /nfs/dbraw/zinc/08/33/22/816083322.db2.gz HIIRFKASEXUJBE-TXEJJXNPSA-N 1 0 296.361 2.444 20 10 CECDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140055141 816178976 /nfs/dbraw/zinc/17/89/76/816178976.db2.gz LDIBWPCDAMSINB-ZYHUDNBSSA-N 1 0 281.327 2.162 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCC[C@H]1O ZINC001140057420 816179108 /nfs/dbraw/zinc/17/91/08/816179108.db2.gz GXOKWZWMUQSGNP-ZWNOBZJWSA-N 1 0 253.317 2.124 20 10 CECDRO CC(=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140055213 816179469 /nfs/dbraw/zinc/17/94/69/816179469.db2.gz NZPRYSLBKOYMDJ-UHFFFAOYSA-N 1 0 251.301 2.332 20 10 CECDRO CCN(C(C)=O)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140060290 816181128 /nfs/dbraw/zinc/18/11/28/816181128.db2.gz UKHBAEDKJDXEBE-UHFFFAOYSA-N 1 0 294.370 2.364 20 10 CECDRO COC(=O)CC[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC001140059906 816181275 /nfs/dbraw/zinc/18/12/75/816181275.db2.gz ALRYMFULRDQLNP-UHFFFAOYSA-N 1 0 267.300 2.059 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178710 816204043 /nfs/dbraw/zinc/20/40/43/816204043.db2.gz VEQMNJIZGPTXNN-LBPRGKRZSA-N 1 0 263.337 2.004 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCN(C3CC3)CC2)c1O ZINC001140178627 816204890 /nfs/dbraw/zinc/20/48/90/816204890.db2.gz RFADNKCSCJPCRQ-UHFFFAOYSA-N 1 0 260.381 2.289 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCC(S(C)(=O)=O)CC2)c1O ZINC001140181729 816205486 /nfs/dbraw/zinc/20/54/86/816205486.db2.gz FFBASZNQSMXFSH-UHFFFAOYSA-N 1 0 297.420 2.018 20 10 CECDRO Oc1cnccc1C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001140280272 816225505 /nfs/dbraw/zinc/22/55/05/816225505.db2.gz DUHSEUXJOGWMNA-UHFFFAOYSA-N 1 0 286.331 2.147 20 10 CECDRO CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]3C)cc2)CC1 ZINC001140302479 816227489 /nfs/dbraw/zinc/22/74/89/816227489.db2.gz RWLBULJQRMJROA-OAHLLOKOSA-N 1 0 273.424 2.423 20 10 CECDRO O=C1CC[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]2CCCN12 ZINC001140342437 816238058 /nfs/dbraw/zinc/23/80/58/816238058.db2.gz JBYGFCUSXADGMW-NSHDSACASA-N 1 0 294.782 2.242 20 10 CECDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140465687 816262412 /nfs/dbraw/zinc/26/24/12/816262412.db2.gz RISGFOQCTAYYPK-BXKDBHETSA-N 1 0 255.745 2.391 20 10 CECDRO Cc1c(O)ccc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c1O ZINC001140742718 816339302 /nfs/dbraw/zinc/33/93/02/816339302.db2.gz WMEIPICHNWLDOT-BZNIZROVSA-N 1 0 279.380 2.389 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@](C)(CO)CC2)c1O ZINC001140744014 816339785 /nfs/dbraw/zinc/33/97/85/816339785.db2.gz IAVKVOIDYIWIIA-INIZCTEOSA-N 1 0 279.380 2.391 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749672 816343760 /nfs/dbraw/zinc/34/37/60/816343760.db2.gz IXFGZNLEKKMTHR-GFCCVEGCSA-N 1 0 293.363 2.181 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c(O)c1 ZINC001140850970 816382524 /nfs/dbraw/zinc/38/25/24/816382524.db2.gz XHWNVFQDFMDEKA-DOMZBBRYSA-N 1 0 278.396 2.194 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](CC)C2CN(C)C2)c(O)c1 ZINC001140856615 816383403 /nfs/dbraw/zinc/38/34/03/816383403.db2.gz FKLVBVPGWNGHBM-UHFFFAOYSA-N 1 0 291.439 2.374 20 10 CECDRO CCN(CC)c1ccc(C[NH+]2CC3(C2)CCOC3)c(O)c1 ZINC001140850988 816383554 /nfs/dbraw/zinc/38/35/54/816383554.db2.gz XQQAJNWILFJHGG-UHFFFAOYSA-N 1 0 290.407 2.461 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2Cl)C[C@H]1O ZINC001140921457 816410888 /nfs/dbraw/zinc/41/08/88/816410888.db2.gz DMVDHQTUXVFKIU-IINYFYTJSA-N 1 0 268.788 2.219 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)c(O)c1 ZINC001140954508 816423959 /nfs/dbraw/zinc/42/39/59/816423959.db2.gz VGTYDDRXVFTOBV-AWEZNQCLSA-N 1 0 285.347 2.144 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCN(c3ncccn3)CC2)c(O)c1 ZINC001140950850 816424243 /nfs/dbraw/zinc/42/42/43/816424243.db2.gz KUOILJYMVPLLBD-UHFFFAOYSA-N 1 0 298.390 2.203 20 10 CECDRO COc1cc(O)c(C[NH+]2CCC3(COC3)CC2)c(OC)c1 ZINC001141031471 816451164 /nfs/dbraw/zinc/45/11/64/816451164.db2.gz GHEXIPIDZWFIDR-UHFFFAOYSA-N 1 0 293.363 2.022 20 10 CECDRO COc1cc(O)c(C[N@H+]2CCC[C@H](OC)C2)c(OC)c1 ZINC001141031811 816452088 /nfs/dbraw/zinc/45/20/88/816452088.db2.gz MPYKPUKLOOXBMH-NSHDSACASA-N 1 0 281.352 2.020 20 10 CECDRO CSCC[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141144978 816485903 /nfs/dbraw/zinc/48/59/03/816485903.db2.gz NCZAAMCOYKBAEH-UHFFFAOYSA-N 1 0 266.410 2.310 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC001141158565 816490632 /nfs/dbraw/zinc/49/06/32/816490632.db2.gz FACZJQJXIRNZAP-OAHLLOKOSA-N 1 0 286.331 2.146 20 10 CECDRO CCN(CC[NH+]1CCCCC1)Cc1cc(O)ccc1O ZINC001141161257 816491898 /nfs/dbraw/zinc/49/18/98/816491898.db2.gz QDXNLBUFITYZBT-UHFFFAOYSA-N 1 0 278.396 2.406 20 10 CECDRO OCC1([NH2+]Cc2cc(Cl)ccc2O)CCSCC1 ZINC000839176393 816566777 /nfs/dbraw/zinc/56/67/77/816566777.db2.gz IVDHNPZJDXCDNT-UHFFFAOYSA-N 1 0 287.812 2.393 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CC[C@]1(C)O ZINC001142508914 816677771 /nfs/dbraw/zinc/67/77/71/816677771.db2.gz PRVWSDSHPMYDQW-OTYXRUKQSA-N 1 0 271.307 2.263 20 10 CECDRO c1cnc(NCC[NH2+]Cc2ccc(N3CCCC3)cc2)cn1 ZINC001178176393 816692334 /nfs/dbraw/zinc/69/23/34/816692334.db2.gz OAYVOLYYHKFSOL-UHFFFAOYSA-N 1 0 297.406 2.279 20 10 CECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC001179148770 816837219 /nfs/dbraw/zinc/83/72/19/816837219.db2.gz VMFVRGDXUNQPEY-IRXDYDNUSA-N 1 0 288.391 2.116 20 10 CECDRO COc1cc(O)c(C[N@H+](C)CC2(O)CCCC2)cc1OC ZINC000180314727 344505565 /nfs/dbraw/zinc/50/55/65/344505565.db2.gz PPDZICGAXRRBAX-UHFFFAOYSA-N 1 0 295.379 2.146 20 10 CECDRO COCCCN(C)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000185553814 344509164 /nfs/dbraw/zinc/50/91/64/344509164.db2.gz GQOJFIGGGHJSGP-ZDUSSCGKSA-N 1 0 296.411 2.020 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)/C=C/C[NH+](C)C ZINC000265895622 344660060 /nfs/dbraw/zinc/66/00/60/344660060.db2.gz MTEPVKQDOAKERM-JXMROGBWSA-N 1 0 276.380 2.249 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c1O ZINC000217780584 538887941 /nfs/dbraw/zinc/88/79/41/538887941.db2.gz UHXZMTLMWQZGOA-WDEREUQCSA-N 1 0 251.326 2.010 20 10 CECDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(N)cc1 ZINC000019271024 361524359 /nfs/dbraw/zinc/52/43/59/361524359.db2.gz LGOXKATXYDDPJD-AWEZNQCLSA-N 1 0 289.423 2.192 20 10 CECDRO COc1cccc(C[N@H+]2CCC[C@H](OC)C2)c1O ZINC000091772675 364072575 /nfs/dbraw/zinc/07/25/75/364072575.db2.gz UBEHEUCQDALLHD-LBPRGKRZSA-N 1 0 251.326 2.012 20 10 CECDRO Oc1ccc(Cl)cc1C[NH+]1CCC(n2cncn2)CC1 ZINC000092647828 364091610 /nfs/dbraw/zinc/09/16/10/364091610.db2.gz PRMYEMYELLBYDW-UHFFFAOYSA-N 1 0 292.770 2.474 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC000093646368 364208664 /nfs/dbraw/zinc/20/86/64/364208664.db2.gz CKIGTOUQFKGUJZ-UHFFFAOYSA-N 1 0 272.352 2.198 20 10 CECDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113320681 364887712 /nfs/dbraw/zinc/88/77/12/364887712.db2.gz SIQJNXLRTGMIQC-LBPRGKRZSA-N 1 0 276.359 2.267 20 10 CECDRO CCOCC[NH2+]Cc1cc(Br)ccc1O ZINC000163756869 367263541 /nfs/dbraw/zinc/26/35/41/367263541.db2.gz LZTLAMCCVOTJOK-UHFFFAOYSA-N 1 0 274.158 2.281 20 10 CECDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H](CO)C(C)(C)C ZINC000180240895 368373668 /nfs/dbraw/zinc/37/36/68/368373668.db2.gz QWDBSBWVBVXWAN-ZDUSSCGKSA-N 1 0 255.333 2.370 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCOCCO)cc1 ZINC000180244784 368375239 /nfs/dbraw/zinc/37/52/39/368375239.db2.gz YTYDAYJWGWZEBY-AWEZNQCLSA-N 1 0 280.412 2.192 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1O ZINC000180560928 368387130 /nfs/dbraw/zinc/38/71/30/368387130.db2.gz ZQLBMCPKWBANFK-LLVKDONJSA-N 1 0 296.798 2.441 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC(=O)NC(C)C)c1 ZINC000181270489 368439324 /nfs/dbraw/zinc/43/93/24/368439324.db2.gz LZTBSKDHTFGJQV-LBPRGKRZSA-N 1 0 264.369 2.266 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2O)C[C@@H]1C ZINC000188109004 369297695 /nfs/dbraw/zinc/29/76/95/369297695.db2.gz IIUSLODHVDZUEL-AAEUAGOBSA-N 1 0 263.337 2.023 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)ccc1OC ZINC000188798103 369411089 /nfs/dbraw/zinc/41/10/89/369411089.db2.gz BQZRTTGQBJWDOH-GOEBONIOSA-N 1 0 293.407 2.482 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000188995760 369439743 /nfs/dbraw/zinc/43/97/43/369439743.db2.gz LFPGBGPENBMODQ-WFASDCNBSA-N 1 0 277.412 2.270 20 10 CECDRO CC[N@@H+](Cc1cc(OC)ccc1O)C[C@H](O)C(F)(F)F ZINC000189868547 369574056 /nfs/dbraw/zinc/57/40/56/369574056.db2.gz YJHOEXCSMFJXFB-LBPRGKRZSA-N 1 0 293.285 2.146 20 10 CECDRO C[C@@H]1CSCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000192177086 369778525 /nfs/dbraw/zinc/77/85/25/369778525.db2.gz BPBDKZGJBKHWJK-JTQLQIEISA-N 1 0 281.377 2.306 20 10 CECDRO [NH3+][C@H]1CC=C(C(=O)N(CC2CC2)c2ccccc2)C1 ZINC000638029514 370254256 /nfs/dbraw/zinc/25/42/56/370254256.db2.gz QGQRMWHHLJKMNE-AWEZNQCLSA-N 1 0 256.349 2.477 20 10 CECDRO COCCC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000268826577 372243796 /nfs/dbraw/zinc/24/37/96/372243796.db2.gz JBWBUEUCNGWMHB-OAHLLOKOSA-N 1 0 292.423 2.428 20 10 CECDRO C[C@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268877620 372268010 /nfs/dbraw/zinc/26/80/10/372268010.db2.gz KTNWCLICJFPSPF-STQMWFEESA-N 1 0 296.386 2.084 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000270997752 373056705 /nfs/dbraw/zinc/05/67/05/373056705.db2.gz KFLZULXQIRONMG-INIZCTEOSA-N 1 0 262.397 2.490 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CCC[C@H](O)C2)c(O)c1 ZINC000271017660 373070224 /nfs/dbraw/zinc/07/02/24/373070224.db2.gz RTVGCUNTPKMNOT-ZDUSSCGKSA-N 1 0 265.353 2.138 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c(O)c1 ZINC000271114082 373126867 /nfs/dbraw/zinc/12/68/67/373126867.db2.gz VPGSQUXGOBAZJG-CYBMUJFWSA-N 1 0 293.363 2.176 20 10 CECDRO Cc1cccc(C[NH+]2CCN(CC(F)F)CC2)c1O ZINC000271763604 373201821 /nfs/dbraw/zinc/20/18/21/373201821.db2.gz ZOBVYPZOOWXPRY-UHFFFAOYSA-N 1 0 270.323 2.083 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)[C@H](CO)C(C)(C)C)c1 ZINC000271802399 373204515 /nfs/dbraw/zinc/20/45/15/373204515.db2.gz LBUZCQUAQQZJDJ-CQSZACIVSA-N 1 0 267.369 2.240 20 10 CECDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccccc1O ZINC000368602875 373248550 /nfs/dbraw/zinc/24/85/50/373248550.db2.gz LIRYWQHBBSHGFY-XEZPLFJOSA-N 1 0 277.364 2.381 20 10 CECDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000272214344 373366004 /nfs/dbraw/zinc/36/60/04/373366004.db2.gz AZXDYLMBUQEZTF-JQWIXIFHSA-N 1 0 293.260 2.419 20 10 CECDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000272214348 373366026 /nfs/dbraw/zinc/36/60/26/373366026.db2.gz AZXDYLMBUQEZTF-ZYHUDNBSSA-N 1 0 293.260 2.419 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000272261102 373392800 /nfs/dbraw/zinc/39/28/00/373392800.db2.gz ARCLJNKWMYBRKH-UKRRQHHQSA-N 1 0 260.381 2.227 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCc2nc(C)n[nH]2)cc1 ZINC000272598319 373572057 /nfs/dbraw/zinc/57/20/57/373572057.db2.gz TUWWHEZZIOOWIO-GFCCVEGCSA-N 1 0 287.411 2.463 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCOC[C@@H](C)C2)c1O ZINC000370187149 373600040 /nfs/dbraw/zinc/60/00/40/373600040.db2.gz WAQPAKWXCOHZQD-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1F ZINC000272661930 373603908 /nfs/dbraw/zinc/60/39/08/373603908.db2.gz ROGNXQDOMWYEJP-WMLDXEAASA-N 1 0 291.414 2.418 20 10 CECDRO c1nc2n(c1C[NH2+]Cc1ccc3c(c1)CCO3)CCCC2 ZINC000370262400 373619851 /nfs/dbraw/zinc/61/98/51/373619851.db2.gz QMSHTOCIFXJUJV-UHFFFAOYSA-N 1 0 283.375 2.444 20 10 CECDRO COCCN(C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273597421 373767049 /nfs/dbraw/zinc/76/70/49/373767049.db2.gz QZJGNQSJUFTJCV-CQSZACIVSA-N 1 0 280.412 2.238 20 10 CECDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000273610451 373768137 /nfs/dbraw/zinc/76/81/37/373768137.db2.gz VRMBGPUWSRLMCM-KBPBESRZSA-N 1 0 278.396 2.072 20 10 CECDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1cccc(C)c1O)C2 ZINC000374675373 374626188 /nfs/dbraw/zinc/62/61/88/374626188.db2.gz DBAQEYNJQKLPHJ-PBHICJAKSA-N 1 0 289.375 2.476 20 10 CECDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000277981249 374699155 /nfs/dbraw/zinc/69/91/55/374699155.db2.gz TYYDGQJTNROULE-YOEHRIQHSA-N 1 0 290.407 2.038 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCN2C)c1cnccn1 ZINC000375285581 374648909 /nfs/dbraw/zinc/64/89/09/374648909.db2.gz DCHAPKJEQQSBDN-GFCCVEGCSA-N 1 0 268.364 2.320 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1O ZINC000375330078 374653307 /nfs/dbraw/zinc/65/33/07/374653307.db2.gz CIBJHTBIYIAQOF-HNNXBMFYSA-N 1 0 277.364 2.402 20 10 CECDRO CC[C@H]([NH2+][C@H](CO)CCOC)c1ccc(N(C)C)cc1 ZINC000281614520 375390334 /nfs/dbraw/zinc/39/03/34/375390334.db2.gz NHVGZGCTHAPXMN-HOCLYGCPSA-N 1 0 280.412 2.191 20 10 CECDRO CCCOc1ccc(C[NH2+]CC2([S@](C)=O)CC2)c(O)c1 ZINC000282296360 375452016 /nfs/dbraw/zinc/45/20/16/375452016.db2.gz JJPXWNMWUCWCRF-FQEVSTJZSA-N 1 0 297.420 2.182 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCCF)c(O)c1C ZINC000282773570 375571207 /nfs/dbraw/zinc/57/12/07/375571207.db2.gz PAUWIEZEIWBBKN-NWDGAFQWSA-N 1 0 282.359 2.134 20 10 CECDRO COC(=O)[C@]1(C)C[N@H+](Cc2cc(F)ccc2O)C[C@H]1C ZINC000282778479 375571712 /nfs/dbraw/zinc/57/17/12/375571712.db2.gz QEHSBIXPSPITAZ-MEBBXXQBSA-N 1 0 281.327 2.162 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCCOCCO)c(O)c1 ZINC000285054275 375834596 /nfs/dbraw/zinc/83/45/96/375834596.db2.gz IPZBGGQLWPQNJM-ZDUSSCGKSA-N 1 0 267.369 2.059 20 10 CECDRO CCOc1cccc(C[NH2+]CCC(C)(C)C(=O)OC)c1O ZINC000285571876 375840689 /nfs/dbraw/zinc/84/06/89/375840689.db2.gz SMAHFIZVGQEIOX-UHFFFAOYSA-N 1 0 295.379 2.470 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1O ZINC000289336350 376391404 /nfs/dbraw/zinc/39/14/04/376391404.db2.gz HHMWPSGSINSEPX-MRXNPFEDSA-N 1 0 277.364 2.082 20 10 CECDRO Cc1cc(C[N@H+]2CCOC[C@H]2C[C@H](C)O)ccc1N(C)C ZINC000294487802 377990020 /nfs/dbraw/zinc/99/00/20/377990020.db2.gz HQCHUTTXMXNWPG-GOEBONIOSA-N 1 0 292.423 2.033 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)C(F)F ZINC000294993166 378034759 /nfs/dbraw/zinc/03/47/59/378034759.db2.gz HULLJVVLQXNGGL-KOLCDFICSA-N 1 0 263.259 2.026 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](C)CCO)c1 ZINC000295106746 378042103 /nfs/dbraw/zinc/04/21/03/378042103.db2.gz LBHJMICZHBFLJH-VXGBXAGGSA-N 1 0 267.369 2.460 20 10 CECDRO Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000294833591 378022077 /nfs/dbraw/zinc/02/20/77/378022077.db2.gz SOSYDXXMGQKGSV-KRWDZBQOSA-N 1 0 297.402 2.377 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c(O)c1 ZINC000294838150 378022339 /nfs/dbraw/zinc/02/23/39/378022339.db2.gz RPPYVHGYCOUOIA-XJKSGUPXSA-N 1 0 293.407 2.447 20 10 CECDRO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296249759 378466184 /nfs/dbraw/zinc/46/61/84/378466184.db2.gz BDFWVIIPJSKKRV-LBPRGKRZSA-N 1 0 276.380 2.131 20 10 CECDRO CC(C)(C)N1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CC1=O ZINC000296275282 378473617 /nfs/dbraw/zinc/47/36/17/378473617.db2.gz CARHCBOTSOTCSF-STQMWFEESA-N 1 0 288.391 2.369 20 10 CECDRO C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1O ZINC000530216260 328716793 /nfs/dbraw/zinc/71/67/93/328716793.db2.gz PAIANCSNHFWMLZ-IINYFYTJSA-N 1 0 264.344 2.467 20 10 CECDRO COC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000093441110 394665853 /nfs/dbraw/zinc/66/58/53/394665853.db2.gz DSVBDZOEMFUESH-CYBMUJFWSA-N 1 0 263.337 2.228 20 10 CECDRO COC(=O)C[N@H+](Cc1cccc(OC)c1O)C1CCCC1 ZINC000093707477 394668601 /nfs/dbraw/zinc/66/86/01/394668601.db2.gz IIHDNDJBVSSMBV-UHFFFAOYSA-N 1 0 293.363 2.318 20 10 CECDRO C[N@H+](CC(=O)N1CCc2ccccc21)Cc1ccccc1O ZINC000109768968 394735415 /nfs/dbraw/zinc/73/54/15/394735415.db2.gz YIWMQUFIXLPCCQ-UHFFFAOYSA-N 1 0 296.370 2.413 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c1O ZINC000105442785 394721659 /nfs/dbraw/zinc/72/16/59/394721659.db2.gz PIDVXGMTEAFENB-GFCCVEGCSA-N 1 0 289.379 2.332 20 10 CECDRO CSC[C@](C)(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000120646938 394781490 /nfs/dbraw/zinc/78/14/90/394781490.db2.gz HZWHMKUGGSDGCQ-GFCCVEGCSA-N 1 0 275.801 2.249 20 10 CECDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000120713094 394782684 /nfs/dbraw/zinc/78/26/84/394782684.db2.gz RAEMXINPJMEBBT-WFASDCNBSA-N 1 0 260.381 2.336 20 10 CECDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccccc1O ZINC000121236842 394794210 /nfs/dbraw/zinc/79/42/10/394794210.db2.gz YEPMZJOAUKTSAB-UHFFFAOYSA-N 1 0 278.396 2.423 20 10 CECDRO CCN(CC)[C@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000121872316 394805573 /nfs/dbraw/zinc/80/55/73/394805573.db2.gz FJZZCSKLAQDBLD-CYBMUJFWSA-N 1 0 262.397 2.441 20 10 CECDRO COc1cccc(C[N@H+](C)C[C@@H]2CCCCO2)c1O ZINC000132605503 394933862 /nfs/dbraw/zinc/93/38/62/394933862.db2.gz QLURWXKZCXQAMH-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)[C@@]12CCCO2 ZINC000368698223 394991876 /nfs/dbraw/zinc/99/18/76/394991876.db2.gz JUSAUTXFDFNCHY-XHSDSOJGSA-N 1 0 295.354 2.348 20 10 CECDRO CCC(=O)N1CCC[N@H+](Cc2cccc(C)c2O)CC1 ZINC000373224567 395057104 /nfs/dbraw/zinc/05/71/04/395057104.db2.gz WBKQPSRPJYWCQY-UHFFFAOYSA-N 1 0 276.380 2.145 20 10 CECDRO COc1ccc(N2CCC[N@H+](C[C@H](O)C(C)C)CC2)cc1 ZINC000374093270 395073226 /nfs/dbraw/zinc/07/32/26/395073226.db2.gz IEUXLFALACLCOV-KRWDZBQOSA-N 1 0 292.423 2.224 20 10 CECDRO Oc1ccccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000374273245 395078712 /nfs/dbraw/zinc/07/87/12/395078712.db2.gz ZTGFHDWJJLTCAW-UHFFFAOYSA-N 1 0 257.337 2.426 20 10 CECDRO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293490054 395236234 /nfs/dbraw/zinc/23/62/34/395236234.db2.gz ANGJQGKKWDAVBM-IUCAKERBSA-N 1 0 273.735 2.387 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)c1 ZINC000182391985 395240657 /nfs/dbraw/zinc/24/06/57/395240657.db2.gz PUCSOOFZWJBXFE-TZMCWYRMSA-N 1 0 295.379 2.247 20 10 CECDRO COC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000181569809 395221402 /nfs/dbraw/zinc/22/14/02/395221402.db2.gz LAQREFRCRIAAKW-AWEZNQCLSA-N 1 0 281.327 2.249 20 10 CECDRO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccccc1O ZINC000183512755 395258060 /nfs/dbraw/zinc/25/80/60/395258060.db2.gz NBGJSVQJRRBPCL-CYBMUJFWSA-N 1 0 278.396 2.154 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@H]3CCCCN3C[C@H]2C)c1O ZINC000211286068 400303487 /nfs/dbraw/zinc/30/34/87/400303487.db2.gz LFMNLXZSBQRTPV-UKRRQHHQSA-N 1 0 290.407 2.459 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCCOC2)c1 ZINC000038043967 174051639 /nfs/dbraw/zinc/05/16/39/174051639.db2.gz VUWDCXPWQNHNLH-VXGBXAGGSA-N 1 0 265.353 2.478 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1O ZINC000128267218 260373491 /nfs/dbraw/zinc/37/34/91/260373491.db2.gz YSWJFDPQFQHZAC-OLZOCXBDSA-N 1 0 265.353 2.040 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c1O ZINC000153153755 261074214 /nfs/dbraw/zinc/07/42/14/261074214.db2.gz FSFQZGVACBIKQX-BJHJDKERSA-N 1 0 265.353 2.042 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccccc2O)C1 ZINC000156377008 261121454 /nfs/dbraw/zinc/12/14/54/261121454.db2.gz NQZLHCSBDXBHEU-JSGCOSHPSA-N 1 0 276.380 2.444 20 10 CECDRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(N(C)C)cc1 ZINC000158174811 261160257 /nfs/dbraw/zinc/16/02/57/261160257.db2.gz NCFRNPSSJVVGBQ-SWLSCSKDSA-N 1 0 280.437 2.271 20 10 CECDRO CCN(CC[NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000101932108 261253241 /nfs/dbraw/zinc/25/32/41/261253241.db2.gz WWHAHMASFJAQIG-UHFFFAOYSA-N 1 0 261.413 2.327 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1C ZINC000184291982 262015561 /nfs/dbraw/zinc/01/55/61/262015561.db2.gz GWJBZHJRLQRGHX-MRXNPFEDSA-N 1 0 277.364 2.000 20 10 CECDRO Oc1ccccc1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000184714001 262027166 /nfs/dbraw/zinc/02/71/66/262027166.db2.gz JQFBPNUXYDUKST-UHFFFAOYSA-N 1 0 283.375 2.105 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Cl)ccc1O ZINC000184982123 262036116 /nfs/dbraw/zinc/03/61/16/262036116.db2.gz MCLWOCXWDZAYEF-SKDRFNHKSA-N 1 0 282.771 2.365 20 10 CECDRO CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185330732 262050925 /nfs/dbraw/zinc/05/09/25/262050925.db2.gz OMQAUYKWUZEKOY-SECBINFHSA-N 1 0 291.800 2.131 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC000367438277 262074896 /nfs/dbraw/zinc/07/48/96/262074896.db2.gz LZZFRZASAXNZHC-INIZCTEOSA-N 1 0 277.364 2.403 20 10 CECDRO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(F)ccc1O ZINC000186092165 262079072 /nfs/dbraw/zinc/07/90/72/262079072.db2.gz SHOXPDOYLSMGAL-LLVKDONJSA-N 1 0 294.370 2.488 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC2(C)OCCO2)c(O)c1 ZINC000186211950 262084749 /nfs/dbraw/zinc/08/47/49/262084749.db2.gz ZIHMCLUNAXZFAA-NSHDSACASA-N 1 0 251.326 2.114 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C[S@](C)=O)c(O)c1 ZINC000186540846 262098410 /nfs/dbraw/zinc/09/84/10/262098410.db2.gz ZTOHUEWDQBRXIX-RLFDGXBXSA-N 1 0 255.383 2.118 20 10 CECDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000272543284 263006147 /nfs/dbraw/zinc/00/61/47/263006147.db2.gz PPNXEPSESJJJMF-YPMHNXCESA-N 1 0 266.360 2.094 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000189341927 264291939 /nfs/dbraw/zinc/29/19/39/264291939.db2.gz SXURMZXJZGQVJH-TUAOUCFPSA-N 1 0 265.353 2.212 20 10 CECDRO O=C1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)[C@H](C2CC2)N1 ZINC000370285885 267306759 /nfs/dbraw/zinc/30/67/59/267306759.db2.gz QOAYWTWUAJMRDL-DOMZBBRYSA-N 1 0 294.782 2.192 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)cc1C ZINC000377113265 268048558 /nfs/dbraw/zinc/04/85/58/268048558.db2.gz NAKSGNJIXONTJX-WMLDXEAASA-N 1 0 288.391 2.156 20 10 CECDRO CC[C@H]([NH2+]CCCC(=O)NC)c1ccc(C)cc1O ZINC000280113180 288039372 /nfs/dbraw/zinc/03/93/72/288039372.db2.gz NSTPNIWRPUTGRG-ZDUSSCGKSA-N 1 0 264.369 2.268 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1cnn(C)c1 ZINC000297704515 278387362 /nfs/dbraw/zinc/38/73/62/278387362.db2.gz MOAUQPHCPXQASX-MFKMUULPSA-N 1 0 257.337 2.464 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)CCO)c1 ZINC000097440110 295167203 /nfs/dbraw/zinc/16/72/03/295167203.db2.gz NXGAXIUNOODUCV-WDEREUQCSA-N 1 0 253.342 2.070 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@@H]3CC[C@@H](C)O3)CC2)cc1 ZINC000188535320 327864770 /nfs/dbraw/zinc/86/47/70/327864770.db2.gz NOIMNTOFLLAMJY-PBHICJAKSA-N 1 0 290.407 2.385 20 10 CECDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000377282300 329009652 /nfs/dbraw/zinc/00/96/52/329009652.db2.gz DCOCZZWZPKBOJI-GFCCVEGCSA-N 1 0 278.743 2.084 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000377694311 329025365 /nfs/dbraw/zinc/02/53/65/329025365.db2.gz IJHDPEKOCJKZLP-RBSFLKMASA-N 1 0 288.391 2.396 20 10 CECDRO Cn1c(Cl)cnc1C[NH2+]Cc1ccccc1O ZINC000134264392 329658166 /nfs/dbraw/zinc/65/81/66/329658166.db2.gz SWTWZXPTJONCIV-UHFFFAOYSA-N 1 0 251.717 2.069 20 10 CECDRO Cc1cc(Br)cc(C[NH2+]CCCCO)c1O ZINC000194531246 330873512 /nfs/dbraw/zinc/87/35/12/330873512.db2.gz VXNKPXYDUZZPKY-UHFFFAOYSA-N 1 0 288.185 2.325 20 10 CECDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)N1CCCC1 ZINC000228092823 333294830 /nfs/dbraw/zinc/29/48/30/333294830.db2.gz DUBSDIRXWCDDAR-QWRGUYRKSA-N 1 0 280.343 2.193 20 10 CECDRO C[C@H](CO)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000134913582 334108096 /nfs/dbraw/zinc/10/80/96/334108096.db2.gz PBUYEHVRCDLXQT-HTQZYQBOSA-N 1 0 274.158 2.186 20 10 CECDRO CCOc1cccc(C[NH2+]CC[C@H](C)OC)c1O ZINC000263787531 334674269 /nfs/dbraw/zinc/67/42/69/334674269.db2.gz GVVUPTYFAJZKBK-NSHDSACASA-N 1 0 253.342 2.306 20 10 CECDRO C[C@H]1C[C@@H](C[NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000271363228 334743251 /nfs/dbraw/zinc/74/32/51/334743251.db2.gz ISJIDIQYSHVHII-QWRGUYRKSA-N 1 0 279.336 2.026 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CC2(CO)CC2)cc1F ZINC000275838346 522170179 /nfs/dbraw/zinc/17/01/79/522170179.db2.gz GPWCJGHIFCGTJV-UHFFFAOYSA-N 1 0 266.360 2.096 20 10 CECDRO CC(C)(C)OC(=O)NCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297877896 518831742 /nfs/dbraw/zinc/83/17/42/518831742.db2.gz UXLOFONYQVQFSF-GFCCVEGCSA-N 1 0 292.379 2.494 20 10 CECDRO CC(C)(O)C1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000297501680 519338316 /nfs/dbraw/zinc/33/83/16/519338316.db2.gz WETTUXRIVJEMBO-UHFFFAOYSA-N 1 0 255.745 2.248 20 10 CECDRO CC(=O)N(C)C1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000120478801 519440598 /nfs/dbraw/zinc/44/05/98/519440598.db2.gz PIYWBSAFFPHUEC-UHFFFAOYSA-N 1 0 296.798 2.488 20 10 CECDRO CCC1([NH2+]Cc2cc(OC)c(OC)cc2O)CC1 ZINC000294700579 519846198 /nfs/dbraw/zinc/84/61/98/519846198.db2.gz CYLVOUUONDCMHM-UHFFFAOYSA-N 1 0 251.326 2.442 20 10 CECDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000292803993 520998869 /nfs/dbraw/zinc/99/88/69/520998869.db2.gz VVEFWUNOAPUNQK-ZDUSSCGKSA-N 1 0 290.407 2.264 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](CC)C2)c1 ZINC000125600250 521149320 /nfs/dbraw/zinc/14/93/20/521149320.db2.gz TXQSIDRLYTUDMF-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)CC[C@H](C)[NH3+] ZINC000193227083 521687870 /nfs/dbraw/zinc/68/78/70/521687870.db2.gz JAIOQAPJCIVODI-LBPRGKRZSA-N 1 0 264.369 2.258 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC000072827726 522188016 /nfs/dbraw/zinc/18/80/16/522188016.db2.gz NPUIXNQEFDBCNN-UHFFFAOYSA-N 1 0 289.423 2.101 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)cc1F ZINC000280521595 522206125 /nfs/dbraw/zinc/20/61/25/522206125.db2.gz BBKWCVUCOXBBHC-HXUWFJFHSA-N 1 0 298.427 2.283 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1F ZINC000276660407 522208142 /nfs/dbraw/zinc/20/81/42/522208142.db2.gz JNTNBXWIBXMZGX-YPMHNXCESA-N 1 0 266.360 2.142 20 10 CECDRO C[NH2+][C@H](C)CNC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000261872093 522440715 /nfs/dbraw/zinc/44/07/15/522440715.db2.gz ZUCJLHKEPHNXQQ-GFCCVEGCSA-N 1 0 285.391 2.432 20 10 CECDRO CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1O ZINC000163752730 522572340 /nfs/dbraw/zinc/57/23/40/522572340.db2.gz WKGGRXJTFDGYAW-JTQLQIEISA-N 1 0 274.158 2.015 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)CN1CCCC1=O)c1ccccc1O ZINC000037782115 522933656 /nfs/dbraw/zinc/93/36/56/522933656.db2.gz WGCDHYYFCQWVOX-TZMCWYRMSA-N 1 0 276.380 2.444 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)c1ncnn1C)c1ccccc1O ZINC000276696464 522941303 /nfs/dbraw/zinc/94/13/03/522941303.db2.gz VHQVQCAZWHKUFU-ZYHUDNBSSA-N 1 0 260.341 2.323 20 10 CECDRO COCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264760740 523263063 /nfs/dbraw/zinc/26/30/63/523263063.db2.gz YREKJQKZGQPARF-HNNXBMFYSA-N 1 0 279.380 2.410 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)cc1C ZINC000279656093 524071742 /nfs/dbraw/zinc/07/17/42/524071742.db2.gz FTVNJGAYZWROBT-INIZCTEOSA-N 1 0 290.407 2.352 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000280254020 524620629 /nfs/dbraw/zinc/62/06/29/524620629.db2.gz LIZAENSJEZJFJV-YOEHRIQHSA-N 1 0 290.407 2.132 20 10 CECDRO C[C@@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC000236716769 524657824 /nfs/dbraw/zinc/65/78/24/524657824.db2.gz QXVRYPGWMXLATB-AWEZNQCLSA-N 1 0 289.423 2.048 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000289973043 524751817 /nfs/dbraw/zinc/75/18/17/524751817.db2.gz ZHFLZJGSZQMACO-OAHLLOKOSA-N 1 0 287.359 2.094 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000063218419 524754941 /nfs/dbraw/zinc/75/49/41/524754941.db2.gz YMCSHWQDFYPPSC-HNNXBMFYSA-N 1 0 287.359 2.094 20 10 CECDRO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(F)ccc1O)C[C@@H](C)O2 ZINC000280358019 525044492 /nfs/dbraw/zinc/04/44/92/525044492.db2.gz CJWQGBYLMDNNLE-XHBSWPGZSA-N 1 0 295.354 2.300 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1C ZINC000279954654 525322454 /nfs/dbraw/zinc/32/24/54/525322454.db2.gz ZSVNORBOJFJDCJ-UHFFFAOYSA-N 1 0 297.420 2.066 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000280357245 525345314 /nfs/dbraw/zinc/34/53/14/525345314.db2.gz UCGLWXMXWQMMNH-CJNGLKHVSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000276744872 525365683 /nfs/dbraw/zinc/36/56/83/525365683.db2.gz ZODMBLMAHMAOOH-QWRGUYRKSA-N 1 0 260.341 2.241 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cc(F)ccc1O ZINC000094617707 525598893 /nfs/dbraw/zinc/59/88/93/525598893.db2.gz JWQITPJMKIVZKH-WDEREUQCSA-N 1 0 280.343 2.193 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCc2cnn(C)n2)c(O)c1 ZINC000293035562 525726476 /nfs/dbraw/zinc/72/64/76/525726476.db2.gz ALXITERKXUUQCD-GFCCVEGCSA-N 1 0 274.368 2.113 20 10 CECDRO C[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C(F)(F)F ZINC000270578095 525775714 /nfs/dbraw/zinc/77/57/14/525775714.db2.gz WAIBQOPPIKMYBF-GFCCVEGCSA-N 1 0 275.270 2.024 20 10 CECDRO Cc1nnc(CC[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000289897290 526330093 /nfs/dbraw/zinc/33/00/93/526330093.db2.gz SXNGXHARGJZSBX-VIFPVBQESA-N 1 0 263.366 2.445 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CC1)OCO2 ZINC000363384440 526335230 /nfs/dbraw/zinc/33/52/30/526335230.db2.gz KNEHCSXNIFBABA-LBPRGKRZSA-N 1 0 261.321 2.495 20 10 CECDRO CC[NH+](CC)C[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875161478 649891183 /nfs/dbraw/zinc/89/11/83/649891183.db2.gz LMVHXOXDLQPXEM-LBPRGKRZSA-N 1 0 291.395 2.148 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CCCOCCO)c2c1c(F)ccc2O ZINC000757637686 574514246 /nfs/dbraw/zinc/51/42/46/574514246.db2.gz MHYVOTFSJPCASI-ZYHUDNBSSA-N 1 0 283.343 2.068 20 10 CECDRO CC(C)C[NH+]1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000732267344 574616380 /nfs/dbraw/zinc/61/63/80/574616380.db2.gz YIJOSFAZNQTIIB-UHFFFAOYSA-N 1 0 282.409 2.304 20 10 CECDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000742723364 575031378 /nfs/dbraw/zinc/03/13/78/575031378.db2.gz JVFPKNUPDJIPLB-LBPRGKRZSA-N 1 0 269.348 2.132 20 10 CECDRO Oc1ccc2ccncc2c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744435740 575121119 /nfs/dbraw/zinc/12/11/19/575121119.db2.gz JTSPWEYTMSPAOZ-BETUJISGSA-N 1 0 270.332 2.304 20 10 CECDRO C[C@@H]1CCN(CC[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000744450060 575121701 /nfs/dbraw/zinc/12/17/01/575121701.db2.gz KBWFVRDMFUZMGZ-CQSZACIVSA-N 1 0 261.413 2.184 20 10 CECDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)C1CCOCC1 ZINC000746054261 575147645 /nfs/dbraw/zinc/14/76/45/575147645.db2.gz PHRNEJLCTSTOSI-ZDUSSCGKSA-N 1 0 293.363 2.416 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000753374250 575324925 /nfs/dbraw/zinc/32/49/25/575324925.db2.gz RMNXYMPLMLASPT-UONOGXRCSA-N 1 0 265.353 2.304 20 10 CECDRO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccc(N(C)C)cc1 ZINC000125548388 649939100 /nfs/dbraw/zinc/93/91/00/649939100.db2.gz XTVJHFNTJVYWET-WMLDXEAASA-N 1 0 292.423 2.192 20 10 CECDRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000120662044 622784800 /nfs/dbraw/zinc/78/48/00/622784800.db2.gz BJGJBIZRFAJNOX-JTQLQIEISA-N 1 0 282.771 2.276 20 10 CECDRO CC(C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000049740611 622931285 /nfs/dbraw/zinc/93/12/85/622931285.db2.gz CRNBQNCMXSXNHP-UHFFFAOYSA-N 1 0 289.423 2.101 20 10 CECDRO CN(CC[NH+]1CCCCC1)C(=O)C1=CC(=O)CS1 ZINC000846661939 623418554 /nfs/dbraw/zinc/41/85/54/623418554.db2.gz HHBIBEHPRNJDJW-UHFFFAOYSA-N 1 0 268.382 2.012 20 10 CECDRO CCOC1CC[NH+](Cc2ccc(OC)c(OC)c2O)CC1 ZINC000891667843 623875193 /nfs/dbraw/zinc/87/51/93/623875193.db2.gz QGYRJWGDINOTSU-UHFFFAOYSA-N 1 0 295.379 2.410 20 10 CECDRO C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1O ZINC000892090619 624310756 /nfs/dbraw/zinc/31/07/56/624310756.db2.gz WZAODFGDGQJJJL-SDDRHHMPSA-N 1 0 277.368 2.022 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000051991989 624725480 /nfs/dbraw/zinc/72/54/80/624725480.db2.gz MKZZKCWSHOHZHN-WCQYABFASA-N 1 0 255.745 2.439 20 10 CECDRO C[N@@H+](Cc1c(O)cccc1Cl)CC1CC(O)C1 ZINC000276792335 625248938 /nfs/dbraw/zinc/24/89/38/625248938.db2.gz RHJMOMJXHFZLJJ-UHFFFAOYSA-N 1 0 255.745 2.248 20 10 CECDRO C[C@@H](NC1C[NH2+]C1)c1ccc(N2CCCCC2)cc1 ZINC000169172050 627694236 /nfs/dbraw/zinc/69/42/36/627694236.db2.gz YWYNPAVDDSHOCI-CYBMUJFWSA-N 1 0 259.397 2.299 20 10 CECDRO COc1ccc(C[NH2+]CCc2cscn2)c(O)c1OC ZINC000893042142 627961494 /nfs/dbraw/zinc/96/14/94/627961494.db2.gz QWTFHLVDJBUALU-UHFFFAOYSA-N 1 0 294.376 2.198 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCCS2)c(O)c1OC ZINC000893110013 628010625 /nfs/dbraw/zinc/01/06/25/628010625.db2.gz FBFUGKDNZRZJEQ-NSHDSACASA-N 1 0 283.393 2.395 20 10 CECDRO COCCOC[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180525664 628084024 /nfs/dbraw/zinc/08/40/24/628084024.db2.gz DMMZVWQUJSGLSF-CQSZACIVSA-N 1 0 279.380 2.186 20 10 CECDRO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)C)cc2)C(C)(C)C1 ZINC000182083499 628143098 /nfs/dbraw/zinc/14/30/98/628143098.db2.gz BXONMVWQGJSMFB-UHFFFAOYSA-N 1 0 289.423 2.195 20 10 CECDRO CCOC(=O)CN(CC)Cc1cccc(OCC)c1O ZINC000092399536 628282006 /nfs/dbraw/zinc/28/20/06/628282006.db2.gz HNIAXJSCORFEOD-UHFFFAOYSA-N 1 0 281.352 2.176 20 10 CECDRO Cc1cc(C(=O)NC[C@H](C)[NH3+])c(C)n1-c1ccc(F)cc1 ZINC000194914827 628520313 /nfs/dbraw/zinc/52/03/13/628520313.db2.gz ITQUELQLBPBQOV-JTQLQIEISA-N 1 0 289.354 2.310 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938739 628757011 /nfs/dbraw/zinc/75/70/11/628757011.db2.gz GHYABJSPYGZSGF-IAGOWNOFSA-N 1 0 292.423 2.345 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1C ZINC000219442753 628810991 /nfs/dbraw/zinc/81/09/91/628810991.db2.gz DDCBJORMKRPUAK-LLVKDONJSA-N 1 0 263.259 2.016 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000925787232 628827274 /nfs/dbraw/zinc/82/72/74/628827274.db2.gz XTPVAXXUDAELLY-BBBLOLIVSA-N 1 0 270.323 2.177 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)cc1 ZINC000840959989 628914947 /nfs/dbraw/zinc/91/49/47/628914947.db2.gz ABFOEOAFVFTDJP-UHFFFAOYSA-N 1 0 298.452 2.056 20 10 CECDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000840975013 628977096 /nfs/dbraw/zinc/97/70/96/628977096.db2.gz RYGVJURURYRLMA-OAHLLOKOSA-N 1 0 288.391 2.369 20 10 CECDRO COC1(OC)CC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000924860169 629123323 /nfs/dbraw/zinc/12/33/23/629123323.db2.gz APMHJKXAPRCWIZ-CQSZACIVSA-N 1 0 282.359 2.133 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000237080948 629186871 /nfs/dbraw/zinc/18/68/71/629186871.db2.gz CZVRHGMJTXIKEI-UHFFFAOYSA-N 1 0 297.402 2.484 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCCc2cnn(C)c2)cc1 ZINC000237087994 629225874 /nfs/dbraw/zinc/22/58/74/629225874.db2.gz UGJZKINYOQFDCE-UHFFFAOYSA-N 1 0 272.396 2.209 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@H](O)CC(C)C)c1O ZINC000894211419 629229415 /nfs/dbraw/zinc/22/94/15/629229415.db2.gz PNPDEKXDPDFYLN-CYBMUJFWSA-N 1 0 267.369 2.206 20 10 CECDRO CC[C@@H]([NH2+]C[C@@](C)(O)COC)c1ccc(C)cc1O ZINC000794811359 629325899 /nfs/dbraw/zinc/32/58/99/629325899.db2.gz WZQHTSCGJKKEGB-UKRRQHHQSA-N 1 0 267.369 2.139 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCOC2(C)C)c(O)c1OC ZINC000894685175 629587803 /nfs/dbraw/zinc/58/78/03/629587803.db2.gz SBFBJUUDSLYCOO-GFCCVEGCSA-N 1 0 281.352 2.067 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1O ZINC000894783023 629640426 /nfs/dbraw/zinc/64/04/26/629640426.db2.gz PGQHMPMGMBHOGV-DZGCQCFKSA-N 1 0 292.423 2.481 20 10 CECDRO COc1cc(C[N@@H+](C)[C@@H]2CC[C@@H]2OC)c(O)cc1C ZINC000902636407 634755949 /nfs/dbraw/zinc/75/59/49/634755949.db2.gz DWYFAZODKSQTSV-OCCSQVGLSA-N 1 0 265.353 2.318 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCOC[C@H]1C ZINC000796497696 629919678 /nfs/dbraw/zinc/91/96/78/629919678.db2.gz ODAOFKPHYRACIQ-VXGBXAGGSA-N 1 0 265.353 2.163 20 10 CECDRO CC[C@H]([NH2+]Cc1cnc2n1CCOC2)c1ccccc1O ZINC000895132933 629940491 /nfs/dbraw/zinc/94/04/91/629940491.db2.gz COJGQXNUUBRZRL-AWEZNQCLSA-N 1 0 287.363 2.360 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c(O)c1OC ZINC000895404514 630176337 /nfs/dbraw/zinc/17/63/37/630176337.db2.gz SWZPAFRZDJERLJ-NEPJUHHUSA-N 1 0 295.379 2.409 20 10 CECDRO Fc1cc(C[NH2+]CC2CSC2)ccc1N1CCOCC1 ZINC000895421724 630185177 /nfs/dbraw/zinc/18/51/77/630185177.db2.gz VWQMSFNNPLAUDG-UHFFFAOYSA-N 1 0 296.411 2.115 20 10 CECDRO COc1ccc(C[NH2+]CC(C)(C)F)c(O)c1OC ZINC000895690807 630303616 /nfs/dbraw/zinc/30/36/16/630303616.db2.gz LHNGCPFFHIIOLT-UHFFFAOYSA-N 1 0 257.305 2.247 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000895752352 630330243 /nfs/dbraw/zinc/33/02/43/630330243.db2.gz HYDVFQQRIMQZOT-OAHLLOKOSA-N 1 0 293.313 2.364 20 10 CECDRO COC[C@H]([NH2+]Cc1cccc(C)c1O)[C@@H]1CCCOC1 ZINC000895855894 630378607 /nfs/dbraw/zinc/37/86/07/630378607.db2.gz UPLOGNKWTFJNGO-CABCVRRESA-N 1 0 279.380 2.232 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@H]1CCCOC1 ZINC000895857387 630379250 /nfs/dbraw/zinc/37/92/50/630379250.db2.gz BLYPNKYOGBYRLK-LSDHHAIUSA-N 1 0 279.380 2.232 20 10 CECDRO CC[N@H+](CCC(N)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000896714846 630647339 /nfs/dbraw/zinc/64/73/39/630647339.db2.gz JEDSEXGZYDDFCF-UHFFFAOYSA-N 1 0 289.423 2.374 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](CC)CCC(N)=O)cc1 ZINC000896714356 630647470 /nfs/dbraw/zinc/64/74/70/630647470.db2.gz CFAYWZLQJFDMGT-UHFFFAOYSA-N 1 0 277.412 2.230 20 10 CECDRO Cc1cc(CC[NH2+]Cc2ccc(C)cc2O)nn1C ZINC000896818318 630678927 /nfs/dbraw/zinc/67/89/27/630678927.db2.gz ARQQEWLZYVFJSQ-UHFFFAOYSA-N 1 0 259.353 2.075 20 10 CECDRO Cc1cc(CC[NH2+]Cc2ccc(N(C)C)cc2C)nn1C ZINC000896818615 630679184 /nfs/dbraw/zinc/67/91/84/630679184.db2.gz FDCKLUPEVGLTOJ-UHFFFAOYSA-N 1 0 286.423 2.435 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCOC1CCOCC1 ZINC000897191457 630982892 /nfs/dbraw/zinc/98/28/92/630982892.db2.gz JKENAGUHBVUWTA-UHFFFAOYSA-N 1 0 292.423 2.346 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cnnn2C)c1O ZINC000808719116 631261177 /nfs/dbraw/zinc/26/11/77/631261177.db2.gz RZVCTACBFOHFJE-VIFPVBQESA-N 1 0 280.759 2.333 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC000802660783 631442169 /nfs/dbraw/zinc/44/21/69/631442169.db2.gz WGXCVVNVGKLYDQ-MRXNPFEDSA-N 1 0 280.387 2.439 20 10 CECDRO CCN(CC)c1ccc(CNCC2([NH3+])CC2)cc1F ZINC000904449204 635641104 /nfs/dbraw/zinc/64/11/04/635641104.db2.gz GJULOIZUKRKKRG-UHFFFAOYSA-N 1 0 265.376 2.253 20 10 CECDRO CC[C@H]([NH2+]Cc1cnnn1C)c1ccc(C)cc1O ZINC000806660220 631762753 /nfs/dbraw/zinc/76/27/53/631762753.db2.gz TVCGWVAYEZJJRR-ZDUSSCGKSA-N 1 0 260.341 2.070 20 10 CECDRO C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@H]1O ZINC000897679123 631864014 /nfs/dbraw/zinc/86/40/14/631864014.db2.gz HULUMZKSXZFRLH-LVQRLBQTSA-N 1 0 260.381 2.078 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cc1F ZINC000897683362 631868968 /nfs/dbraw/zinc/86/89/68/631868968.db2.gz CCEMDFFMKVOQDR-WBMJQRKESA-N 1 0 280.387 2.485 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)c(O)c1 ZINC000898113258 632055383 /nfs/dbraw/zinc/05/53/83/632055383.db2.gz WESRTZTUACCCDD-OAHLLOKOSA-N 1 0 277.364 2.128 20 10 CECDRO Oc1c(C[N@H+]2CC[C@H](O)[C@@H](F)C2)ccc2ccccc21 ZINC000898189556 632103464 /nfs/dbraw/zinc/10/34/64/632103464.db2.gz VJNWXDXCKLMTJM-GJZGRUSLSA-N 1 0 275.323 2.450 20 10 CECDRO Oc1c(C[N@H+]2CC[C@@H](O)[C@H](F)C2)ccc2ccccc21 ZINC000898189557 632103922 /nfs/dbraw/zinc/10/39/22/632103922.db2.gz VJNWXDXCKLMTJM-HUUCEWRRSA-N 1 0 275.323 2.450 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CO)C2CCCC2)c(O)c1 ZINC000810178602 632191537 /nfs/dbraw/zinc/19/15/37/632191537.db2.gz SINUFJPDSCWKSM-OAHLLOKOSA-N 1 0 279.380 2.432 20 10 CECDRO COc1ccc(C[NH2+]C/C=C\Cl)c(O)c1OC ZINC000898424079 632486707 /nfs/dbraw/zinc/48/67/07/632486707.db2.gz BNYZASRZXMONOC-UTCJRWHESA-N 1 0 257.717 2.252 20 10 CECDRO C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898449284 632499122 /nfs/dbraw/zinc/49/91/22/632499122.db2.gz AJLIOLUBVPQVER-XKQJLSEDSA-N 1 0 291.439 2.122 20 10 CECDRO COC(=O)[C@@H](C[NH2+]Cc1cc(F)ccc1O)CC(C)C ZINC000813332183 632670585 /nfs/dbraw/zinc/67/05/85/632670585.db2.gz QOMNHCJOFGKYEA-GFCCVEGCSA-N 1 0 283.343 2.456 20 10 CECDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000813857817 632748033 /nfs/dbraw/zinc/74/80/33/632748033.db2.gz NSTZPWLWAOYRHD-JTQLQIEISA-N 1 0 299.465 2.272 20 10 CECDRO CCCN(c1ccc(C[NH3+])cc1)[C@H]1CCC(=O)NC1(C)C ZINC000814170160 632797840 /nfs/dbraw/zinc/79/78/40/632797840.db2.gz RZQHVMDKRWYPQG-HNNXBMFYSA-N 1 0 289.423 2.419 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2cnccc2OC)c(O)c1 ZINC000814297965 632822022 /nfs/dbraw/zinc/82/20/22/632822022.db2.gz NCAKZCWDZYZERO-UHFFFAOYSA-N 1 0 288.347 2.484 20 10 CECDRO COC(=O)C[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)C1CC1 ZINC000815089927 632957535 /nfs/dbraw/zinc/95/75/35/632957535.db2.gz SFFZVCBQBOKRBK-OAHLLOKOSA-N 1 0 290.407 2.492 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@H](O)C2(C)C)ccc1N(C)C ZINC000815119159 632962815 /nfs/dbraw/zinc/96/28/15/632962815.db2.gz QMANREWHQUDESE-HNNXBMFYSA-N 1 0 262.397 2.406 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)c1O ZINC000815148550 632972561 /nfs/dbraw/zinc/97/25/61/632972561.db2.gz ZFZCQGBETMZISG-SNVBAGLBSA-N 1 0 274.320 2.352 20 10 CECDRO COC[C@H](CCO)[NH2+]Cc1ccc2ccccc2c1O ZINC000816552751 633411496 /nfs/dbraw/zinc/41/14/96/633411496.db2.gz VDNJBQLIPFJKDH-AWEZNQCLSA-N 1 0 275.348 2.032 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCN(C)C[C@@H]2CC)c1O ZINC000816660342 633459055 /nfs/dbraw/zinc/45/90/55/633459055.db2.gz ACGIDDYOKBOPTQ-AWEZNQCLSA-N 1 0 278.396 2.317 20 10 CECDRO Cc1ncc2n1C[C@@H](C(=O)N(C)Cc1ccccc1O)CC2 ZINC000816889015 633482502 /nfs/dbraw/zinc/48/25/02/633482502.db2.gz JFDOFZKQRAFUHN-AWEZNQCLSA-N 1 0 299.374 2.118 20 10 CECDRO Cc1cc(C[N@H+]2C[C@H](O)CC[C@H]2C)ccc1N(C)C ZINC000817287112 633620527 /nfs/dbraw/zinc/62/05/27/633620527.db2.gz CEEHTWQIBCSSEX-UKRRQHHQSA-N 1 0 262.397 2.406 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)c1O ZINC000817414375 633652940 /nfs/dbraw/zinc/65/29/40/633652940.db2.gz IULUHMNHFIZVLI-CABZTGNLSA-N 1 0 285.771 2.399 20 10 CECDRO C[C@@H]([NH2+]CCC[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000817937963 633789220 /nfs/dbraw/zinc/78/92/20/633789220.db2.gz AQMIALLFXUGFIE-SSDOTTSWSA-N 1 0 291.164 2.293 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)N[C@H]2CC[NH2+]C2)c1O ZINC000817945230 633791938 /nfs/dbraw/zinc/79/19/38/633791938.db2.gz XOXIXDMJNCOJSJ-KOLCDFICSA-N 1 0 254.761 2.367 20 10 CECDRO CC[NH2+]CCN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817952020 633796068 /nfs/dbraw/zinc/79/60/68/633796068.db2.gz MVESDTPSQWGSNJ-KOLCDFICSA-N 1 0 252.333 2.279 20 10 CECDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955628 633799435 /nfs/dbraw/zinc/79/94/35/633799435.db2.gz DDAPIGWWGRLCPG-CYBMUJFWSA-N 1 0 277.412 2.048 20 10 CECDRO CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817960913 633802998 /nfs/dbraw/zinc/80/29/98/633802998.db2.gz UDZCZTDFWXVPAT-SNVBAGLBSA-N 1 0 281.356 2.469 20 10 CECDRO C[C@@H](C[NH3+])N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817970567 633813375 /nfs/dbraw/zinc/81/33/75/633813375.db2.gz ZZTNMZHXVGYIAY-RYUDHWBXSA-N 1 0 297.830 2.174 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817971046 633813798 /nfs/dbraw/zinc/81/37/98/633813798.db2.gz JPAGBSNVOMMBRB-RVBZMBCESA-N 1 0 270.323 2.319 20 10 CECDRO C[C@H]([NH3+])CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817970792 633814031 /nfs/dbraw/zinc/81/40/31/633814031.db2.gz FGUSPROIMKEUEN-RYUDHWBXSA-N 1 0 297.830 2.174 20 10 CECDRO C[C@@H](N[C@@H](C)C[NH3+])c1ccc(N2CCOCC2)cc1Cl ZINC000817970566 633814188 /nfs/dbraw/zinc/81/41/88/633814188.db2.gz ZZTNMZHXVGYIAY-NWDGAFQWSA-N 1 0 297.830 2.174 20 10 CECDRO CC[C@H](NC[C@@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817982290 633825025 /nfs/dbraw/zinc/82/50/25/633825025.db2.gz QXLHDEFFUUCOAF-IRXDYDNUSA-N 1 0 291.439 2.172 20 10 CECDRO C[C@@H]1CC2(C[N@@H+]1Cc1cccc(F)c1[O-])CC[NH2+]CC2 ZINC000818431915 633921439 /nfs/dbraw/zinc/92/14/39/633921439.db2.gz VYNQEVUSPABINL-GFCCVEGCSA-N 1 0 278.371 2.495 20 10 CECDRO CC[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000903259250 635032845 /nfs/dbraw/zinc/03/28/45/635032845.db2.gz AZLDEUPUUNJIDO-LDZOIKDWSA-N 1 0 289.423 2.447 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CCN1C)c1cc(Cl)ccc1O ZINC000903316301 635063330 /nfs/dbraw/zinc/06/33/30/635063330.db2.gz DFDNFRMPFRKSLY-MWLCHTKSSA-N 1 0 254.761 2.400 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C2CC(CCO)C2)c1O ZINC000903333615 635065478 /nfs/dbraw/zinc/06/54/78/635065478.db2.gz RNSHWAHFLOCWHC-UNXYVOJBSA-N 1 0 265.353 2.212 20 10 CECDRO CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000903343183 635071266 /nfs/dbraw/zinc/07/12/66/635071266.db2.gz NJCZFRCMHLGPMO-JSGCOSHPSA-N 1 0 296.386 2.293 20 10 CECDRO C[NH+](C)CC1(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000824212978 635376909 /nfs/dbraw/zinc/37/69/09/635376909.db2.gz DWSGBOZJOJBVKB-UHFFFAOYSA-N 1 0 282.771 2.004 20 10 CECDRO CCCN(Cc1c(C)nnn1CC)c1ccc(C[NH3+])cc1 ZINC000824292109 635399083 /nfs/dbraw/zinc/39/90/83/635399083.db2.gz LOBVAKCHDQBYMR-UHFFFAOYSA-N 1 0 287.411 2.482 20 10 CECDRO Cc1cccc(CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c1O ZINC000903983442 635403153 /nfs/dbraw/zinc/40/31/53/635403153.db2.gz IIRAHRXKYKKURG-RYUDHWBXSA-N 1 0 288.313 2.412 20 10 CECDRO CC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)c(C)cc1O ZINC000824561530 635451774 /nfs/dbraw/zinc/45/17/74/635451774.db2.gz YCWAQQZGZJTKLY-UHFFFAOYSA-N 1 0 284.787 2.264 20 10 CECDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000824709726 635483458 /nfs/dbraw/zinc/48/34/58/635483458.db2.gz SHVIXFFWFMRXIU-BBRMVZONSA-N 1 0 296.386 2.033 20 10 CECDRO CO[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@H]1C ZINC000824815478 635505065 /nfs/dbraw/zinc/50/50/65/635505065.db2.gz QJLCUNZDLJELPH-YGRLFVJLSA-N 1 0 253.317 2.388 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H](C)[C@@H](OC)C2CC2)cc1OC ZINC000825099087 635567171 /nfs/dbraw/zinc/56/71/71/635567171.db2.gz UKZKLCOWMGNQOW-QLJPJBMISA-N 1 0 295.379 2.313 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)CN2CCCC2=O)cc1Cl ZINC000825127644 635575198 /nfs/dbraw/zinc/57/51/98/635575198.db2.gz ZAPBAGYSMHQXGE-LLVKDONJSA-N 1 0 296.798 2.455 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c1O ZINC000825130375 635575741 /nfs/dbraw/zinc/57/57/41/635575741.db2.gz WZTCQOIJUHSAMZ-RISCZKNCSA-N 1 0 299.798 2.326 20 10 CECDRO COCC[C@](C)(O)C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825278591 635604724 /nfs/dbraw/zinc/60/47/24/635604724.db2.gz MKZIHVFHQHUAPQ-AWEZNQCLSA-N 1 0 287.787 2.231 20 10 CECDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cc(F)ccc2O)C1 ZINC000825337713 635620384 /nfs/dbraw/zinc/62/03/84/635620384.db2.gz IPUKUKFOFVWNBW-AWEZNQCLSA-N 1 0 266.360 2.446 20 10 CECDRO Cc1ccc(O)c(CN2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000904430403 635625155 /nfs/dbraw/zinc/62/51/55/635625155.db2.gz IALOQQIXHJOTGR-INIZCTEOSA-N 1 0 260.381 2.419 20 10 CECDRO Cc1cccc(CN2CC[C@@]3(C2)CCCC[NH2+]3)c1O ZINC000904431293 635625842 /nfs/dbraw/zinc/62/58/42/635625842.db2.gz QZYWKAZZTRBMPW-MRXNPFEDSA-N 1 0 260.381 2.419 20 10 CECDRO COc1cc(Cl)cc(CN[C@@H]2C[NH2+]CC2(C)C)c1O ZINC000904462256 635635323 /nfs/dbraw/zinc/63/53/23/635635323.db2.gz PFKYHHAQSQIXKS-GFCCVEGCSA-N 1 0 284.787 2.142 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1Cl ZINC000825752396 635707483 /nfs/dbraw/zinc/70/74/83/635707483.db2.gz ACFBIEJEBMZSRV-DGCLKSJQSA-N 1 0 299.798 2.089 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3CCCC[C@@H]31)OCO2 ZINC000826538415 635778489 /nfs/dbraw/zinc/77/84/89/635778489.db2.gz DCCXCJCTAPNQAB-JQWIXIFHSA-N 1 0 261.321 2.495 20 10 CECDRO CCc1cccc(C[NH2+][C@H](COC)C2CCOCC2)c1O ZINC000826877352 635868411 /nfs/dbraw/zinc/86/84/11/635868411.db2.gz FGUMCCFYIDBSSE-MRXNPFEDSA-N 1 0 293.407 2.486 20 10 CECDRO CO[C@]1(CO)CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000826952219 636170062 /nfs/dbraw/zinc/17/00/62/636170062.db2.gz HHALILYRVYEOKC-QGZVFWFLSA-N 1 0 292.423 2.034 20 10 CECDRO CCn1cc(C[NH2+]Cc2ccc3ccccc3c2O)nn1 ZINC000827087671 636209261 /nfs/dbraw/zinc/20/92/61/636209261.db2.gz RASGBIHBFRVWLM-UHFFFAOYSA-N 1 0 282.347 2.447 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@H+](C)CC2CN(C)C2)cc1 ZINC000827126292 636226300 /nfs/dbraw/zinc/22/63/00/636226300.db2.gz YUTLIQSUMQIPAC-AATRIKPKSA-N 1 0 273.424 2.259 20 10 CECDRO Cc1cccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c1O ZINC000827549079 636350373 /nfs/dbraw/zinc/35/03/73/636350373.db2.gz AFJDKKTTYCRVKV-INIZCTEOSA-N 1 0 290.407 2.044 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1 ZINC000905694830 636406259 /nfs/dbraw/zinc/40/62/59/636406259.db2.gz JINHKXWOROHPNC-ZDUSSCGKSA-N 1 0 277.364 2.204 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2C(=O)OC)c1 ZINC000827845600 636442238 /nfs/dbraw/zinc/44/22/38/636442238.db2.gz XOOBIILUXIDZOH-UONOGXRCSA-N 1 0 293.363 2.222 20 10 CECDRO C[N@H+](Cc1ccc(Br)cc1O)C1(CO)CC1 ZINC000827897914 636454033 /nfs/dbraw/zinc/45/40/33/636454033.db2.gz BNQWCRCXSPFAPF-UHFFFAOYSA-N 1 0 286.169 2.111 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@H+](C)C2(CO)CC2)cc1 ZINC000827897919 636454203 /nfs/dbraw/zinc/45/42/03/636454203.db2.gz BQJHPASDNGOPBR-PLNGDYQASA-N 1 0 260.381 2.223 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)C2(CO)CC2)c1O ZINC000827903824 636456565 /nfs/dbraw/zinc/45/65/65/636456565.db2.gz QHQLROMULUFLDA-UHFFFAOYSA-N 1 0 271.744 2.011 20 10 CECDRO C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccccc1O ZINC000827941706 636465004 /nfs/dbraw/zinc/46/50/04/636465004.db2.gz WWDQULZGVCACOF-NEPJUHHUSA-N 1 0 294.420 2.007 20 10 CECDRO CO[C@H](C[N@H+](C)Cc1ccccc1O)C1CCOCC1 ZINC000876616557 650360664 /nfs/dbraw/zinc/36/06/64/650360664.db2.gz ZKDOOOYCINLPET-MRXNPFEDSA-N 1 0 279.380 2.266 20 10 CECDRO COC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000834559115 637866095 /nfs/dbraw/zinc/86/60/95/637866095.db2.gz ZPJYWGFEJRMOBR-QWHCGFSZSA-N 1 0 290.363 2.200 20 10 CECDRO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C(C)C)C2)c(O)c1 ZINC000876654445 650378891 /nfs/dbraw/zinc/37/88/91/650378891.db2.gz FYEDRQPPDGHQAU-OAHLLOKOSA-N 1 0 290.407 2.437 20 10 CECDRO COC[C@@](C)(O)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000834844945 637968112 /nfs/dbraw/zinc/96/81/12/637968112.db2.gz WILMXXGOOMYBDD-WFASDCNBSA-N 1 0 267.369 2.139 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1cc(F)ccc1O ZINC000834850660 637970758 /nfs/dbraw/zinc/97/07/58/637970758.db2.gz OYOJBXJYAGGTKU-GXTWGEPZSA-N 1 0 296.386 2.029 20 10 CECDRO CCN1C[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1=O ZINC000834892228 637980057 /nfs/dbraw/zinc/98/00/57/637980057.db2.gz UQVITIHEEFPJFF-OLZOCXBDSA-N 1 0 276.380 2.280 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)c1c(C)cc(C)cc1O)C(=O)NC ZINC000834913965 637987016 /nfs/dbraw/zinc/98/70/16/637987016.db2.gz RQCUDVJATAEJLB-NWDGAFQWSA-N 1 0 264.369 2.184 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1ccccc1O ZINC000834914452 637987044 /nfs/dbraw/zinc/98/70/44/637987044.db2.gz MYJZJDUSCFAFFX-OBJOEFQTSA-N 1 0 274.364 2.196 20 10 CECDRO CC[C@H]([NH2+][C@H](C)c1c(C)cc(C)cc1O)C(=O)NC ZINC000834913963 637987400 /nfs/dbraw/zinc/98/74/00/637987400.db2.gz RQCUDVJATAEJLB-NEPJUHHUSA-N 1 0 264.369 2.184 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000876659430 650383923 /nfs/dbraw/zinc/38/39/23/650383923.db2.gz WZZSEDGYVCZNDZ-AWEZNQCLSA-N 1 0 260.381 2.371 20 10 CECDRO C[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000835025937 638029630 /nfs/dbraw/zinc/02/96/30/638029630.db2.gz ONGWQKWHEUDFPN-NNTXTVRGSA-N 1 0 259.397 2.060 20 10 CECDRO C[C@H](Cn1cncn1)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835035278 638033338 /nfs/dbraw/zinc/03/33/38/638033338.db2.gz FRCWDVVVRODNLU-ISZGNANSSA-N 1 0 285.395 2.036 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000835038926 638033932 /nfs/dbraw/zinc/03/39/32/638033932.db2.gz ZQHWQBKPEHHXSG-YXMMZVCTSA-N 1 0 273.424 2.450 20 10 CECDRO CC(C)[C@H](O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039790 638034362 /nfs/dbraw/zinc/03/43/62/638034362.db2.gz LMCXQXREDIOFEL-SQRWCISFSA-N 1 0 262.397 2.372 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(O)CCC2)cc1 ZINC000835040882 638034735 /nfs/dbraw/zinc/03/47/35/638034735.db2.gz VKQVZUIKGUKNDR-HWKANZROSA-N 1 0 260.381 2.270 20 10 CECDRO CC(C)[C@@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835043132 638035201 /nfs/dbraw/zinc/03/52/01/638035201.db2.gz NEDACPCHLVIUSK-OGZRUICASA-N 1 0 262.397 2.372 20 10 CECDRO COCCC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCO ZINC000835046093 638037087 /nfs/dbraw/zinc/03/70/87/638037087.db2.gz SEZLXIKUQXEEFM-XQRVVYSFSA-N 1 0 292.423 2.097 20 10 CECDRO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)[C@@H](C)CO ZINC000835055613 638041876 /nfs/dbraw/zinc/04/18/76/638041876.db2.gz LQIMVVCTEDLFGQ-AFNCTOJWSA-N 1 0 262.397 2.469 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)cc1C ZINC000835072274 638048829 /nfs/dbraw/zinc/04/88/29/638048829.db2.gz DZEUVLCEQDWVMP-HUUCEWRRSA-N 1 0 288.391 2.247 20 10 CECDRO CCNC(=O)C(C)(C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000835076375 638049724 /nfs/dbraw/zinc/04/97/24/638049724.db2.gz OYRNXICXIZMDJE-UHFFFAOYSA-N 1 0 284.787 2.358 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCC[C@H]2O)cc1 ZINC000835082778 638054378 /nfs/dbraw/zinc/05/43/78/638054378.db2.gz XPXXVZQHCKRRLH-FZZYSBJUSA-N 1 0 260.381 2.269 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CC[C@H](C)O2)cc1OC ZINC000835086751 638056715 /nfs/dbraw/zinc/05/67/15/638056715.db2.gz JGRBVBMHUACGNX-JQWIXIFHSA-N 1 0 281.352 2.067 20 10 CECDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCCc2cccc(O)c21 ZINC000876875539 650468847 /nfs/dbraw/zinc/46/88/47/650468847.db2.gz VEFZINXNJUJDOA-XEHSLEBBSA-N 1 0 286.375 2.227 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@H]([NH3+])CCC(C)C)c1 ZINC000876878737 650469450 /nfs/dbraw/zinc/46/94/50/650469450.db2.gz JTGSRCXDJOOZKG-SMDDNHRTSA-N 1 0 294.395 2.342 20 10 CECDRO Cc1ccc(C[NH2+]Cc2nnc3n2CCCCC3)c(O)c1 ZINC000876883399 650472351 /nfs/dbraw/zinc/47/23/51/650472351.db2.gz AQXRDRWJSMOOMH-UHFFFAOYSA-N 1 0 286.379 2.308 20 10 CECDRO Cc1ccc(C[NH2+]Cc2ccc(N(C)C)nc2)c(O)c1 ZINC000876926813 650489475 /nfs/dbraw/zinc/48/94/75/650489475.db2.gz GZVHYRGLRPARJC-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CC2(CCO)CC2)c1O ZINC000157530228 639496588 /nfs/dbraw/zinc/49/65/88/639496588.db2.gz MSZJYAQRXLRGGQ-UHFFFAOYSA-N 1 0 285.771 2.306 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCC[S@@](C)=O)c(Cl)c1 ZINC000840899362 639576332 /nfs/dbraw/zinc/57/63/32/639576332.db2.gz VPRKHUSUNUKOIT-QGZVFWFLSA-N 1 0 275.801 2.212 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000840899570 639577691 /nfs/dbraw/zinc/57/76/91/639577691.db2.gz LXMGLPKTNCXPCF-GHMZBOCLSA-N 1 0 296.798 2.488 20 10 CECDRO CC[S@](=O)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000168766119 639581035 /nfs/dbraw/zinc/58/10/35/639581035.db2.gz QPJAIIJCWRGOGF-PIGZYNQJSA-N 1 0 255.383 2.120 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCN1CCCC1=O ZINC000840917266 639585512 /nfs/dbraw/zinc/58/55/12/639585512.db2.gz JOERELUBRUDULI-UHFFFAOYSA-N 1 0 289.423 2.115 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC(=O)NC(C)(C)C ZINC000840933685 639590220 /nfs/dbraw/zinc/59/02/20/639590220.db2.gz HNKJQVQVQAFUOQ-UHFFFAOYSA-N 1 0 291.439 2.455 20 10 CECDRO COc1cccc(C[NH2+]CCc2csc(C)n2)c1O ZINC000227436621 639590311 /nfs/dbraw/zinc/59/03/11/639590311.db2.gz BVQHPBVXQNAPLI-UHFFFAOYSA-N 1 0 278.377 2.498 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933936 639591422 /nfs/dbraw/zinc/59/14/22/639591422.db2.gz KYYZRAHCGQJVCC-SWLSCSKDSA-N 1 0 282.453 2.263 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000840936156 639591552 /nfs/dbraw/zinc/59/15/52/639591552.db2.gz FPXAOTRLTVIQAR-HIFRSBDPSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)CC(F)(F)F ZINC000840938035 639592635 /nfs/dbraw/zinc/59/26/35/639592635.db2.gz YUUYPJPARQHVBU-GFCCVEGCSA-N 1 0 290.329 2.464 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000840939059 639592674 /nfs/dbraw/zinc/59/26/74/639592674.db2.gz KFBUKRQVGVKLLK-BLLLJJGKSA-N 1 0 289.423 2.147 20 10 CECDRO CC[C@]1(O)CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840939488 639593673 /nfs/dbraw/zinc/59/36/73/639593673.db2.gz NZNFYMAWSUIIOF-INIZCTEOSA-N 1 0 262.397 2.408 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCCCO ZINC000840940947 639593942 /nfs/dbraw/zinc/59/39/42/639593942.db2.gz ORJFRFROFBNFSR-UHFFFAOYSA-N 1 0 250.386 2.313 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC1(CO)CC1 ZINC000840951023 639599060 /nfs/dbraw/zinc/59/90/60/639599060.db2.gz QZJZWTJMMROYRI-UHFFFAOYSA-N 1 0 262.397 2.313 20 10 CECDRO CC[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)[C@@H](O)C(C)C ZINC000840966532 639603265 /nfs/dbraw/zinc/60/32/65/639603265.db2.gz HLDDNUGZFCLPPX-NHYWBVRUSA-N 1 0 281.352 2.006 20 10 CECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000840975163 639607440 /nfs/dbraw/zinc/60/74/40/639607440.db2.gz MBXBGVJKWMCUTR-MRXNPFEDSA-N 1 0 293.363 2.176 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@H](CN)C2CC2)c1O ZINC000841027659 639620616 /nfs/dbraw/zinc/62/06/16/639620616.db2.gz DUNKQESFKHYCLM-GFCCVEGCSA-N 1 0 254.761 2.181 20 10 CECDRO CN(C)c1ccc(CNC[C@@H]2CCCC[NH2+]2)cc1F ZINC000841032603 639623578 /nfs/dbraw/zinc/62/35/78/639623578.db2.gz HMAZPRHVRXPTCW-ZDUSSCGKSA-N 1 0 265.376 2.123 20 10 CECDRO Cc1cc(Br)cc(CN[C@H]2CCC[NH2+]C2)c1O ZINC000841042248 639629347 /nfs/dbraw/zinc/62/93/47/639629347.db2.gz HEKVCWAOVJEGSZ-LBPRGKRZSA-N 1 0 299.212 2.305 20 10 CECDRO COC[C@H](CC(C)C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841045919 639630980 /nfs/dbraw/zinc/63/09/80/639630980.db2.gz SQQATQOLHWBISW-RDJZCZTQSA-N 1 0 293.455 2.403 20 10 CECDRO C[C@H](CC(=O)NCc1ccccc1O)[C@@H]1CCC[NH2+]C1 ZINC000228423522 639634036 /nfs/dbraw/zinc/63/40/36/639634036.db2.gz ZQGSEDRNSQLXEA-CHWSQXEVSA-N 1 0 276.380 2.034 20 10 CECDRO CC[NH2+][C@H](C)CNCc1c(O)cc(C)cc1Cl ZINC000841062936 639638278 /nfs/dbraw/zinc/63/82/78/639638278.db2.gz DTDOMCCXZHZKJT-SNVBAGLBSA-N 1 0 256.777 2.442 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@H]1CCC[NH2+][C@H]1C ZINC000841063146 639638595 /nfs/dbraw/zinc/63/85/95/639638595.db2.gz IWFXHLGXXHBPLH-BBRMVZONSA-N 1 0 261.413 2.291 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CN)C(C)(C)C)cc1C ZINC000841087918 639652130 /nfs/dbraw/zinc/65/21/30/639652130.db2.gz UBEQECNJOXHUSU-AWEZNQCLSA-N 1 0 250.386 2.472 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CN)C2CCCC2)c(O)c1 ZINC000841085648 639652201 /nfs/dbraw/zinc/65/22/01/639652201.db2.gz AESWGWDTYQIXCF-HNNXBMFYSA-N 1 0 278.396 2.398 20 10 CECDRO COc1cc(Cl)cc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c1O ZINC000229103977 639676620 /nfs/dbraw/zinc/67/66/20/639676620.db2.gz ZZQLNTRERNIURH-ZJUUUORDSA-N 1 0 284.787 2.236 20 10 CECDRO C[N@H+](CCCCNC(=O)Nc1ccc(N)cc1)C1CC1 ZINC000841297159 639730891 /nfs/dbraw/zinc/73/08/91/639730891.db2.gz BBZCLVLLCIBMJI-UHFFFAOYSA-N 1 0 276.384 2.265 20 10 CECDRO Nc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000841300857 639733299 /nfs/dbraw/zinc/73/32/99/639733299.db2.gz XLAIYGULXGXXGT-HNNXBMFYSA-N 1 0 288.395 2.361 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000062856526 639789253 /nfs/dbraw/zinc/78/92/53/639789253.db2.gz YDQKIUOUOKLWPX-KRWDZBQOSA-N 1 0 289.423 2.101 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(Cl)cc1O ZINC000841753786 639857991 /nfs/dbraw/zinc/85/79/91/639857991.db2.gz WJSQPVHHQYUYLR-BDAKNGLRSA-N 1 0 270.760 2.173 20 10 CECDRO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(Cl)cc1O ZINC000841752460 639858902 /nfs/dbraw/zinc/85/89/02/639858902.db2.gz TVKMKQGUWOHRDW-RNCFNFMXSA-N 1 0 295.770 2.163 20 10 CECDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(Cl)cc1O ZINC000841753365 639859036 /nfs/dbraw/zinc/85/90/36/639859036.db2.gz SKXUPLFQKOWSHO-BHDSKKPTSA-N 1 0 285.771 2.236 20 10 CECDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(Cl)cc1O ZINC000841753371 639859156 /nfs/dbraw/zinc/85/91/56/639859156.db2.gz SKXUPLFQKOWSHO-RBZYPMLTSA-N 1 0 285.771 2.236 20 10 CECDRO CCN1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1=O ZINC000841759296 639859953 /nfs/dbraw/zinc/85/99/53/639859953.db2.gz YJLZNTKSSOBCTI-GXSJLCMTSA-N 1 0 282.771 2.317 20 10 CECDRO CCC[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000063755704 639888608 /nfs/dbraw/zinc/88/86/08/639888608.db2.gz DICDTOSCKQZDOD-UHFFFAOYSA-N 1 0 277.412 2.053 20 10 CECDRO C[C@H]1CC[C@H](CN2CCCc3cc(C[NH3+])ccc32)O1 ZINC000232007583 639891411 /nfs/dbraw/zinc/89/14/11/639891411.db2.gz ZTHJXHXSWHMBOA-SWLSCSKDSA-N 1 0 260.381 2.465 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2C[C@@](C)(O)C2)cc1 ZINC000841892231 639901280 /nfs/dbraw/zinc/90/12/80/639901280.db2.gz ZTHMZKFUWAXLEO-RAAUNASXSA-N 1 0 260.381 2.269 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CCN(CC(F)F)C2)c1O ZINC000841893474 639901657 /nfs/dbraw/zinc/90/16/57/639901657.db2.gz FXNIUNZFAFISBI-LBPRGKRZSA-N 1 0 270.323 2.130 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000842674452 640145557 /nfs/dbraw/zinc/14/55/57/640145557.db2.gz PIYADFCZDMCMRO-FMKPAKJESA-N 1 0 290.407 2.351 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCS[C@@H]1C ZINC000842779915 640180781 /nfs/dbraw/zinc/18/07/81/640180781.db2.gz SUPGQCLCSWXSHT-MWLCHTKSSA-N 1 0 253.367 2.384 20 10 CECDRO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1=O ZINC000842882262 640211792 /nfs/dbraw/zinc/21/17/92/640211792.db2.gz PPJFXOYLJKDBQV-OLZOCXBDSA-N 1 0 288.391 2.369 20 10 CECDRO C[C@H]([NH2+]CCCc1ncn(C)n1)c1cc(Cl)ccc1O ZINC000842899428 640216207 /nfs/dbraw/zinc/21/62/07/640216207.db2.gz AHUCHTICDDUSLN-JTQLQIEISA-N 1 0 294.786 2.458 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000842909516 640218612 /nfs/dbraw/zinc/21/86/12/640218612.db2.gz IFDXOJKMGPXKFG-MRVWCRGKSA-N 1 0 265.353 2.073 20 10 CECDRO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1ccccc1O ZINC000842918090 640221618 /nfs/dbraw/zinc/22/16/18/640221618.db2.gz YTSLUASGWVWKKL-MLGOLLRUSA-N 1 0 279.380 2.220 20 10 CECDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877077330 650562101 /nfs/dbraw/zinc/56/21/01/650562101.db2.gz DGCGCEKYPXTSLH-CQSZACIVSA-N 1 0 261.369 2.106 20 10 CECDRO Cc1nn(C)c(C)c1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843057118 640260144 /nfs/dbraw/zinc/26/01/44/640260144.db2.gz BVOICHFVXVJRDX-UHFFFAOYSA-N 1 0 284.407 2.448 20 10 CECDRO C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000843056881 640260251 /nfs/dbraw/zinc/26/02/51/640260251.db2.gz BIJRZTCMVKMMQT-RKDXNWHRSA-N 1 0 272.751 2.354 20 10 CECDRO C[C@@H](CC(=O)N(C)c1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC000877079232 650563125 /nfs/dbraw/zinc/56/31/25/650563125.db2.gz VLXODPLIDVOSDL-STQMWFEESA-N 1 0 275.396 2.257 20 10 CECDRO COc1ccc(N(C)C[C@]2(C)CC[NH2+]C2)cc1F ZINC000843068367 640266717 /nfs/dbraw/zinc/26/67/17/640266717.db2.gz KWFBOBCKJVISRS-CQSZACIVSA-N 1 0 252.333 2.270 20 10 CECDRO Oc1c(F)cccc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000843118078 640287573 /nfs/dbraw/zinc/28/75/73/640287573.db2.gz WESCNXOAFJIQFA-HNNXBMFYSA-N 1 0 287.338 2.073 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000843119899 640288203 /nfs/dbraw/zinc/28/82/03/640288203.db2.gz LZHMNELCAFSCSQ-KBPBESRZSA-N 1 0 261.413 2.243 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1O ZINC000843129891 640296493 /nfs/dbraw/zinc/29/64/93/640296493.db2.gz SRXJBXQYGXYVLA-DTWKUNHWSA-N 1 0 272.776 2.270 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(C)CCCO2)c1 ZINC000152936470 640358429 /nfs/dbraw/zinc/35/84/29/640358429.db2.gz JNJDJVQGFRWSBH-OAHLLOKOSA-N 1 0 265.353 2.450 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1O ZINC000843418385 640422049 /nfs/dbraw/zinc/42/20/49/640422049.db2.gz SMYOFUNBNRASQO-OAHLLOKOSA-N 1 0 295.404 2.109 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(O)c1 ZINC000843420804 640422551 /nfs/dbraw/zinc/42/25/51/640422551.db2.gz IAJOIRQVBQNOET-CJNGLKHVSA-N 1 0 277.364 2.402 20 10 CECDRO CCC[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCN(C)C1 ZINC000843421356 640422997 /nfs/dbraw/zinc/42/29/97/640422997.db2.gz CENKELKPTNEAGI-CQSZACIVSA-N 1 0 266.360 2.447 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925413648 640423489 /nfs/dbraw/zinc/42/34/89/640423489.db2.gz UBEYHWWSMXJKFU-CQSZACIVSA-N 1 0 291.395 2.018 20 10 CECDRO CC(C)([NH3+])CCC(=O)NCCCSc1nccs1 ZINC000843439612 640431067 /nfs/dbraw/zinc/43/10/67/640431067.db2.gz MNUAUIIPIKJZPB-UHFFFAOYSA-N 1 0 287.454 2.259 20 10 CECDRO CC[C@H](SC)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000844163221 640621340 /nfs/dbraw/zinc/62/13/40/640621340.db2.gz VVDSKXPACXIPDT-KBPBESRZSA-N 1 0 295.452 2.010 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)CCC(C)(C)[NH3+] ZINC000844186651 640626656 /nfs/dbraw/zinc/62/66/56/640626656.db2.gz MKHVIFFVCOJDQN-UHFFFAOYSA-N 1 0 277.412 2.195 20 10 CECDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877147676 650594904 /nfs/dbraw/zinc/59/49/04/650594904.db2.gz ZIBMZWJXLFCKPX-VXGBXAGGSA-N 1 0 264.369 2.093 20 10 CECDRO COCC[C@H](C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000268013105 640689938 /nfs/dbraw/zinc/68/99/38/640689938.db2.gz SBRHIAOHKOAQCM-ZDUSSCGKSA-N 1 0 296.386 2.381 20 10 CECDRO COC(=O)CCC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402172 640708254 /nfs/dbraw/zinc/70/82/54/640708254.db2.gz VYAQIRDVMRSLCT-UHFFFAOYSA-N 1 0 294.395 2.016 20 10 CECDRO Cc1cc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)c(C)n1-c1ccccn1 ZINC000877175411 650611043 /nfs/dbraw/zinc/61/10/43/650611043.db2.gz JNFDBKXHJUSZEO-RISCZKNCSA-N 1 0 298.390 2.051 20 10 CECDRO CCn1nccc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000845971929 641141693 /nfs/dbraw/zinc/14/16/93/641141693.db2.gz OFUINVHULBAWQJ-LLVKDONJSA-N 1 0 275.352 2.468 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1F ZINC000846047493 641163855 /nfs/dbraw/zinc/16/38/55/641163855.db2.gz ZHLLAEAWAQFQKM-BETUJISGSA-N 1 0 293.386 2.025 20 10 CECDRO COc1cccc(C[NH+]2CCC([C@@H](C)CO)CC2)c1O ZINC000846057312 641166007 /nfs/dbraw/zinc/16/60/07/641166007.db2.gz GMRSLLKRQHWFIC-LBPRGKRZSA-N 1 0 279.380 2.241 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)COCC2CC2)c1O ZINC000846073880 641174688 /nfs/dbraw/zinc/17/46/88/641174688.db2.gz SHRNGXRZWHYVOU-NSHDSACASA-N 1 0 265.353 2.306 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000846139740 641198018 /nfs/dbraw/zinc/19/80/18/641198018.db2.gz YNJWPJCJQUAHHA-ZYHUDNBSSA-N 1 0 277.320 2.378 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)COCC(C)C)c1O ZINC000846142125 641199484 /nfs/dbraw/zinc/19/94/84/641199484.db2.gz CADSAINHINDQOW-QWHCGFSZSA-N 1 0 297.395 2.085 20 10 CECDRO COC[C@H](C)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846147062 641201836 /nfs/dbraw/zinc/20/18/36/641201836.db2.gz VIDNGIXKICSSIG-GHMZBOCLSA-N 1 0 253.342 2.334 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C[C@@H](C)O)c1O ZINC000846163029 641209316 /nfs/dbraw/zinc/20/93/16/641209316.db2.gz KGXWMBKHWIZUAI-AXFHLTTASA-N 1 0 253.342 2.211 20 10 CECDRO COc1cccc([C@H](C)[NH2+]Cc2snnc2C)c1O ZINC000846170428 641211750 /nfs/dbraw/zinc/21/17/50/641211750.db2.gz NPZXBQPCJLWQMN-QMMMGPOBSA-N 1 0 279.365 2.412 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000846676722 641388335 /nfs/dbraw/zinc/38/83/35/641388335.db2.gz IVWFSPNGAGPRTC-UHIISALHSA-N 1 0 292.379 2.096 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000846698522 641400254 /nfs/dbraw/zinc/40/02/54/641400254.db2.gz IHEOOZHPALTUAG-YPMHNXCESA-N 1 0 264.369 2.103 20 10 CECDRO C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000846705011 641403447 /nfs/dbraw/zinc/40/34/47/641403447.db2.gz WZOWGWHRAWIQKN-GXSJLCMTSA-N 1 0 254.761 2.357 20 10 CECDRO CC(=O)OC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180163097 641422311 /nfs/dbraw/zinc/42/23/11/641422311.db2.gz YMIVURLZBLLOMI-UHFFFAOYSA-N 1 0 267.300 2.059 20 10 CECDRO CCN1C[C@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)OC1=O ZINC000846861755 641458733 /nfs/dbraw/zinc/45/87/33/641458733.db2.gz RFGJONOIGUPQSY-WFASDCNBSA-N 1 0 291.395 2.244 20 10 CECDRO COCCCCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000069629367 641575589 /nfs/dbraw/zinc/57/55/89/641575589.db2.gz RSAHFIWOKSXTJA-UHFFFAOYSA-N 1 0 292.423 2.430 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@](C)(O)COC)cc1 ZINC000069912566 641614486 /nfs/dbraw/zinc/61/44/86/641614486.db2.gz MWUJQCPNYVSFPF-INIZCTEOSA-N 1 0 280.412 2.020 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)CCC(C)(C)[NH3+])cc1 ZINC000070087462 641631394 /nfs/dbraw/zinc/63/13/94/641631394.db2.gz NIKOXKNKKNAAJN-UHFFFAOYSA-N 1 0 277.412 2.229 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)C(F)(F)F)cc1 ZINC000183923130 641818411 /nfs/dbraw/zinc/81/84/11/641818411.db2.gz UKBQFGYXNWSQCC-GFCCVEGCSA-N 1 0 276.302 2.108 20 10 CECDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184896079 641916096 /nfs/dbraw/zinc/91/60/96/641916096.db2.gz WIWGQHFEXBXCSD-LBPRGKRZSA-N 1 0 290.407 2.446 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)c1 ZINC000185433865 641978345 /nfs/dbraw/zinc/97/83/45/641978345.db2.gz FUOUVSUCZGVEPM-XHDPSFHLSA-N 1 0 267.369 2.458 20 10 CECDRO CC[C@H]([NH2+]C[C@](C)(CO)OC)c1ccc(C)cc1O ZINC000848556369 642050801 /nfs/dbraw/zinc/05/08/01/642050801.db2.gz WCVNJWGYJJZRGT-DZGCQCFKSA-N 1 0 267.369 2.139 20 10 CECDRO CO[C@@](C)(CO)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000848556435 642052614 /nfs/dbraw/zinc/05/26/14/642052614.db2.gz XQOUSSMAVCHTFO-QMTHXVAHSA-N 1 0 287.787 2.402 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccccc1O ZINC000848562233 642054455 /nfs/dbraw/zinc/05/44/55/642054455.db2.gz BNUWSBBYQJDHMQ-DGCLKSJQSA-N 1 0 286.379 2.119 20 10 CECDRO CCc1cccc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1O ZINC000848886194 642170804 /nfs/dbraw/zinc/17/08/04/642170804.db2.gz UXCHVBCAZLZLEQ-CABCVRRESA-N 1 0 288.391 2.198 20 10 CECDRO CCc1cccc(C[NH2+]CCc2nnc3ccccn32)c1O ZINC000848890762 642174473 /nfs/dbraw/zinc/17/44/73/642174473.db2.gz LCKQHFKIFODEBK-UHFFFAOYSA-N 1 0 296.374 2.330 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)CO[C@@H]2CCOC2)c1O ZINC000848898544 642178007 /nfs/dbraw/zinc/17/80/07/642178007.db2.gz DWSBIVSJCWHNDT-SWLSCSKDSA-N 1 0 279.380 2.238 20 10 CECDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(CC)c1O ZINC000848903503 642181367 /nfs/dbraw/zinc/18/13/67/642181367.db2.gz UTLMWUQELNFTBZ-HUUCEWRRSA-N 1 0 279.380 2.238 20 10 CECDRO CCc1cccc(C[NH2+]C2(C(=O)NC)CCCC2)c1O ZINC000848904304 642181397 /nfs/dbraw/zinc/18/13/97/642181397.db2.gz PUUASOSQDSRASU-UHFFFAOYSA-N 1 0 276.380 2.103 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@H]2C)c1O ZINC000848905009 642181863 /nfs/dbraw/zinc/18/18/63/642181863.db2.gz FPZSMFCSBDODSS-BXUZGUMPSA-N 1 0 277.364 2.338 20 10 CECDRO CCc1cccc(C[NH+]2CC([C@H]3CCOC3)C2)c1O ZINC000848908444 642184986 /nfs/dbraw/zinc/18/49/86/642184986.db2.gz UPBIWBKMYTWUFZ-AWEZNQCLSA-N 1 0 261.365 2.423 20 10 CECDRO C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccccc1O ZINC000848919388 642191876 /nfs/dbraw/zinc/19/18/76/642191876.db2.gz KHFYGQDKJAMMIR-DZGCQCFKSA-N 1 0 290.407 2.296 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2c(C)cccc2O)[C@@H]1C ZINC000877467002 650732544 /nfs/dbraw/zinc/73/25/44/650732544.db2.gz VDZYZJHKKPOWBW-NEPJUHHUSA-N 1 0 263.337 2.084 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2O)[C@H]1C ZINC000877467003 650732968 /nfs/dbraw/zinc/73/29/68/650732968.db2.gz VDZYZJHKKPOWBW-NWDGAFQWSA-N 1 0 263.337 2.084 20 10 CECDRO C[NH+]1CCN(c2ccc(/C=C/c3cnccn3)cc2)CC1 ZINC000849246296 642295154 /nfs/dbraw/zinc/29/51/54/642295154.db2.gz QXGGETJQAWIRDD-GORDUTHDSA-N 1 0 280.375 2.399 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000877481683 650742535 /nfs/dbraw/zinc/74/25/35/650742535.db2.gz PNLAOJWNJSAZJM-UHFFFAOYSA-N 1 0 288.391 2.145 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000877487036 650745371 /nfs/dbraw/zinc/74/53/71/650745371.db2.gz UBSHXDBPRRLSAR-GRDNDAEWSA-N 1 0 291.391 2.469 20 10 CECDRO Cc1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)c(O)c1 ZINC000877498325 650751491 /nfs/dbraw/zinc/75/14/91/650751491.db2.gz BRWHXFITYFPUJQ-SFHVURJKSA-N 1 0 299.370 2.461 20 10 CECDRO CC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccc(C)cc1O ZINC000877496205 650750649 /nfs/dbraw/zinc/75/06/49/650750649.db2.gz OLROGPGJPWGBSM-GFCCVEGCSA-N 1 0 265.353 2.474 20 10 CECDRO COCCO[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877502973 650754656 /nfs/dbraw/zinc/75/46/56/650754656.db2.gz XMOQOPVQGCDONC-OAHLLOKOSA-N 1 0 279.380 2.328 20 10 CECDRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921692484 642542210 /nfs/dbraw/zinc/54/22/10/642542210.db2.gz GOBIHWBOSSUGOH-UHFFFAOYSA-N 1 0 290.407 2.406 20 10 CECDRO NC(=O)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCCC1 ZINC000921747914 642574959 /nfs/dbraw/zinc/57/49/59/642574959.db2.gz FRVHKQBNBAINKH-UHFFFAOYSA-N 1 0 288.391 2.147 20 10 CECDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921764162 642593683 /nfs/dbraw/zinc/59/36/83/642593683.db2.gz GNBZQMWWSUCUDL-NHYWBVRUSA-N 1 0 281.421 2.214 20 10 CECDRO C[C@@H]1CC[NH2+][C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000126567383 650773979 /nfs/dbraw/zinc/77/39/79/650773979.db2.gz QJQUTXNVHFJQCX-CJNGLKHVSA-N 1 0 289.423 2.099 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]CC3=CCCOC3)C2)cc1 ZINC000850347716 642675184 /nfs/dbraw/zinc/67/51/84/642675184.db2.gz WPJZGDQWLHXDBM-OAHLLOKOSA-N 1 0 288.391 2.210 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(OC)cc3)C2)CO1 ZINC000850347108 642675637 /nfs/dbraw/zinc/67/56/37/642675637.db2.gz NNDHOFZHOAKYKM-IJEWVQPXSA-N 1 0 290.407 2.431 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000850356360 642680064 /nfs/dbraw/zinc/68/00/64/642680064.db2.gz OVIJNTMYTSYRMF-JGRMJRGVSA-N 1 0 297.420 2.180 20 10 CECDRO CCn1cc(CNC/C=C/c2ccc(N(C)C)cc2)nn1 ZINC000850366695 642683218 /nfs/dbraw/zinc/68/32/18/642683218.db2.gz JHGZQMYIDKZNMI-AATRIKPKSA-N 1 0 285.395 2.167 20 10 CECDRO CC(C)(C[NH2+]Cc1ccccc1O)[C@]1(O)CCCOC1 ZINC000850401035 642700905 /nfs/dbraw/zinc/70/09/05/642700905.db2.gz TWMHBKUNFGKOHM-INIZCTEOSA-N 1 0 279.380 2.050 20 10 CECDRO NC(=O)CC1(C[NH2+]Cc2ccccc2O)CCCCC1 ZINC000850412647 642705108 /nfs/dbraw/zinc/70/51/08/642705108.db2.gz IBUHMWGUVAQMRN-UHFFFAOYSA-N 1 0 276.380 2.308 20 10 CECDRO COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1O ZINC000850429840 642709858 /nfs/dbraw/zinc/70/98/58/642709858.db2.gz KIGHEIZGPXQRFK-OAHLLOKOSA-N 1 0 279.380 2.314 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)c1O ZINC000850513872 642736380 /nfs/dbraw/zinc/73/63/80/642736380.db2.gz HRGLCSOWSNXQGX-QWRGUYRKSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c1O ZINC000850521236 642738496 /nfs/dbraw/zinc/73/84/96/642738496.db2.gz RRTMTJJYSHKBCN-JOYOIKCWSA-N 1 0 287.306 2.476 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921848435 642738619 /nfs/dbraw/zinc/73/86/19/642738619.db2.gz MLZUPUQYMYRVFJ-HNNXBMFYSA-N 1 0 288.391 2.112 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(C)cc1O ZINC000850545762 642747781 /nfs/dbraw/zinc/74/77/81/642747781.db2.gz DXZIOCFESKFOIG-AAEUAGOBSA-N 1 0 262.353 2.020 20 10 CECDRO Cc1ccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c(O)c1 ZINC000877593929 650804877 /nfs/dbraw/zinc/80/48/77/650804877.db2.gz JUYZYLJVQRHTHQ-UHFFFAOYSA-N 1 0 293.407 2.358 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc[nH]c(=O)c3)C2)cc1 ZINC000922238148 642974311 /nfs/dbraw/zinc/97/43/11/642974311.db2.gz QZBGMISSVXWEKI-AWEZNQCLSA-N 1 0 299.374 2.164 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000877590048 650803161 /nfs/dbraw/zinc/80/31/61/650803161.db2.gz WMBUNBOTGHACOY-UHFFFAOYSA-N 1 0 285.409 2.004 20 10 CECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877591358 650804550 /nfs/dbraw/zinc/80/45/50/650804550.db2.gz CJIGCKXNYWRACU-INIZCTEOSA-N 1 0 277.364 2.476 20 10 CECDRO O=C1OCC[C@H]1CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922326874 643028486 /nfs/dbraw/zinc/02/84/86/643028486.db2.gz VWBKFTUAGGBKCF-CQSZACIVSA-N 1 0 289.375 2.445 20 10 CECDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922326872 643028761 /nfs/dbraw/zinc/02/87/61/643028761.db2.gz VWBKFTUAGGBKCF-AWEZNQCLSA-N 1 0 289.375 2.445 20 10 CECDRO OC[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922341573 643040415 /nfs/dbraw/zinc/04/04/15/643040415.db2.gz SEYRQVJKKMUDJF-HOTGVXAUSA-N 1 0 291.391 2.031 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c(O)c1 ZINC000877597395 650808343 /nfs/dbraw/zinc/80/83/43/650808343.db2.gz KALZMGTUVYNSOF-CQSZACIVSA-N 1 0 272.352 2.129 20 10 CECDRO COC1([C@@H](C)[NH2+]Cc2ccc(C)cc2O)CCOCC1 ZINC000877598846 650808392 /nfs/dbraw/zinc/80/83/92/650808392.db2.gz UUIGTBZUXSEAHP-CYBMUJFWSA-N 1 0 279.380 2.374 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000922516674 643100749 /nfs/dbraw/zinc/10/07/49/643100749.db2.gz VIYUSLJWPLSTLT-DOMZBBRYSA-N 1 0 263.337 2.058 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000877622722 650818569 /nfs/dbraw/zinc/81/85/69/650818569.db2.gz BLZAJLILMUEGOL-VLXJIEOASA-N 1 0 281.421 2.480 20 10 CECDRO CCOc1ccc(C[NH2+]CCc2cc(C)n(C)n2)c(O)c1 ZINC000922689889 643205204 /nfs/dbraw/zinc/20/52/04/643205204.db2.gz PHKWWVDOMSHJRJ-UHFFFAOYSA-N 1 0 289.379 2.165 20 10 CECDRO CN(C)[C@H](CC[NH2+]Cc1ccccc1O)C(F)(F)F ZINC000922752251 643239578 /nfs/dbraw/zinc/23/95/78/643239578.db2.gz DDQWSNYMQGXEFW-GFCCVEGCSA-N 1 0 276.302 2.364 20 10 CECDRO CCOCc1cc(C[NH2+]C2CSC2)ccc1OC ZINC000877635534 650826819 /nfs/dbraw/zinc/82/68/19/650826819.db2.gz VGNMSVXNNONFIY-UHFFFAOYSA-N 1 0 267.394 2.437 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c(O)c1 ZINC000877638726 650829352 /nfs/dbraw/zinc/82/93/52/650829352.db2.gz MILPISTTWGISJC-AWEZNQCLSA-N 1 0 288.391 2.145 20 10 CECDRO Cc1cc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)ccc1N(C)C ZINC000852296300 643383758 /nfs/dbraw/zinc/38/37/58/643383758.db2.gz UFZKNJKCVJBZJX-UHFFFAOYSA-N 1 0 299.418 2.431 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)c1O ZINC000852559188 643472239 /nfs/dbraw/zinc/47/22/39/643472239.db2.gz GZUWALKXARUOPF-QMTHXVAHSA-N 1 0 281.327 2.079 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000852665059 643503905 /nfs/dbraw/zinc/50/39/05/643503905.db2.gz FYJZIIXQANOKOM-CABCVRRESA-N 1 0 260.381 2.221 20 10 CECDRO CC1([NH2+]Cc2cc(Br)ccc2O)COC1 ZINC000877691761 650853018 /nfs/dbraw/zinc/85/30/18/650853018.db2.gz VQTFQBZXSXJVTJ-UHFFFAOYSA-N 1 0 272.142 2.033 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCOCCF)cc1 ZINC000853091718 643649344 /nfs/dbraw/zinc/64/93/44/643649344.db2.gz NXWOSPNQWWPCEC-ONEGZZNKSA-N 1 0 266.360 2.342 20 10 CECDRO CCN(CC)c1ccc(CN[C@@H](C)C[NH2+]C)cc1F ZINC000853248423 643721844 /nfs/dbraw/zinc/72/18/44/643721844.db2.gz GCPYQJXQMRZVJI-LBPRGKRZSA-N 1 0 267.392 2.369 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2C[C@@H](OCC)C2)c1O ZINC000839148010 644157669 /nfs/dbraw/zinc/15/76/69/644157669.db2.gz TXVSLKZQXPRUNP-BETUJISGSA-N 1 0 265.353 2.448 20 10 CECDRO CC[N@H+](CCOC)Cc1cc(C)cc(OC)c1O ZINC000754722105 644420397 /nfs/dbraw/zinc/42/03/97/644420397.db2.gz CLXAQNODJHRWJF-UHFFFAOYSA-N 1 0 253.342 2.178 20 10 CECDRO COCCC[N@H+](CCOC)Cc1cc(C)cc(OC)c1O ZINC000754722812 644420409 /nfs/dbraw/zinc/42/04/09/644420409.db2.gz KQBNMVXOAFDGJB-UHFFFAOYSA-N 1 0 297.395 2.194 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCCOC[C@H]2C)c1O ZINC000754742081 644423253 /nfs/dbraw/zinc/42/32/53/644423253.db2.gz WYXBFUSLFLMFMO-GFCCVEGCSA-N 1 0 265.353 2.320 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CO)CC2CC2)c1 ZINC000754835047 644439264 /nfs/dbraw/zinc/43/92/64/644439264.db2.gz RQZHNHVOQWIECA-ZDUSSCGKSA-N 1 0 265.353 2.042 20 10 CECDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2ccc(C)cc2O)C1 ZINC000877830397 650925093 /nfs/dbraw/zinc/92/50/93/650925093.db2.gz GYDJTJWAQGFXQI-GFCCVEGCSA-N 1 0 277.364 2.332 20 10 CECDRO CCOC(=O)[C@@H](C)C1C[NH+](Cc2ccccc2O)C1 ZINC000877829444 650925415 /nfs/dbraw/zinc/92/54/15/650925415.db2.gz UEUKYLKNNCYLLC-NSHDSACASA-N 1 0 263.337 2.023 20 10 CECDRO CC(=O)NCCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756371785 644637624 /nfs/dbraw/zinc/63/76/24/644637624.db2.gz MHDORTMMNUIRTA-JOYOIKCWSA-N 1 0 280.343 2.195 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COCC2CC2)c(O)c1C ZINC000756511027 644656705 /nfs/dbraw/zinc/65/67/05/644656705.db2.gz KXBPDMOFEYEBQY-HIFRSBDPSA-N 1 0 293.407 2.447 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCOC[C@H]2C)c1 ZINC000756537352 644659697 /nfs/dbraw/zinc/65/96/97/644659697.db2.gz YHTPVYXYTBCWBV-ZIAGYGMSSA-N 1 0 278.396 2.072 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCOC[C@H]2CCOC2)c(O)c1 ZINC000756564167 644667664 /nfs/dbraw/zinc/66/76/64/644667664.db2.gz QQITVXULXPJXBM-KBPBESRZSA-N 1 0 279.380 2.404 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(C)cc1O ZINC000840825808 644793469 /nfs/dbraw/zinc/79/34/69/644793469.db2.gz MOTWYCXWAWUPDL-TZMCWYRMSA-N 1 0 276.380 2.268 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1CO ZINC000857061444 644805495 /nfs/dbraw/zinc/80/54/95/644805495.db2.gz QWDRKKYJFSCVDX-JQWIXIFHSA-N 1 0 269.772 2.496 20 10 CECDRO CC(=O)c1cc(F)cc(CN2C[C@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857085806 644813094 /nfs/dbraw/zinc/81/30/94/644813094.db2.gz HTKUGHLCKXYJLU-WBMJQRKESA-N 1 0 292.354 2.047 20 10 CECDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1cc(Cl)ccc1O)C2 ZINC000857226167 644858754 /nfs/dbraw/zinc/85/87/54/644858754.db2.gz GSDKSPAWYWWTLU-RISCZKNCSA-N 1 0 266.772 2.359 20 10 CECDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000759173563 644991871 /nfs/dbraw/zinc/99/18/71/644991871.db2.gz QBOWMISSNDHGEC-HOCLYGCPSA-N 1 0 279.380 2.287 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000858470511 645171410 /nfs/dbraw/zinc/17/14/10/645171410.db2.gz IBRPVLGQRWAFIL-CMPLNLGQSA-N 1 0 291.347 2.313 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)OC)cc1 ZINC000858586217 645213279 /nfs/dbraw/zinc/21/32/79/645213279.db2.gz GZXYKJPDAQGPLM-QWHCGFSZSA-N 1 0 293.411 2.202 20 10 CECDRO C[N@H+](CCOC1CCOCC1)Cc1ccccc1O ZINC000859189758 645409216 /nfs/dbraw/zinc/40/92/16/645409216.db2.gz WRBXLBWWIFBZEB-UHFFFAOYSA-N 1 0 265.353 2.020 20 10 CECDRO CCOCc1cc(C[NH2+]CCC2CC(O)C2)ccc1OC ZINC000762504845 645421931 /nfs/dbraw/zinc/42/19/31/645421931.db2.gz XQWSNHGAUMAIQU-UHFFFAOYSA-N 1 0 293.407 2.482 20 10 CECDRO CO[C@]1(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CCOC1 ZINC000763570472 645558538 /nfs/dbraw/zinc/55/85/38/645558538.db2.gz FEFZJCSOYIJWJQ-PKWAYOAASA-N 1 0 295.354 2.475 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](CO)C[C@H]2C)c1O ZINC000860085828 645696395 /nfs/dbraw/zinc/69/63/95/645696395.db2.gz XFHDNPOIZXVPTJ-ZYHUDNBSSA-N 1 0 295.354 2.327 20 10 CECDRO CC[N@H+](Cc1cn[nH]c1)Cc1ccc(N(C)C)cc1 ZINC000768131982 646087923 /nfs/dbraw/zinc/08/79/23/646087923.db2.gz FBKGLSMXTIOKRV-UHFFFAOYSA-N 1 0 258.369 2.498 20 10 CECDRO CCC[NH+]1CCN(Cc2ccc(OCC)cc2O)CC1 ZINC000768137076 646089737 /nfs/dbraw/zinc/08/97/37/646089737.db2.gz FRSUNSZPLFHJNX-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1c(O)cccc1OC ZINC000768172227 646092761 /nfs/dbraw/zinc/09/27/61/646092761.db2.gz NSHGCIMMFVURDH-NWDGAFQWSA-N 1 0 265.353 2.400 20 10 CECDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C3=CC(=O)CS3)CC[C@@H]21 ZINC000768265634 646101665 /nfs/dbraw/zinc/10/16/65/646101665.db2.gz VKWYNLKSQNWGLC-JQWIXIFHSA-N 1 0 280.393 2.010 20 10 CECDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C(C1CC1)C1CC1 ZINC000768444649 646123360 /nfs/dbraw/zinc/12/33/60/646123360.db2.gz MUGAFHVWICFNIR-OAHLLOKOSA-N 1 0 289.375 2.438 20 10 CECDRO COc1cc(C[N@@H+]2CCCO[C@H](C)C2)c(O)cc1C ZINC000768446402 646123568 /nfs/dbraw/zinc/12/35/68/646123568.db2.gz NRJRKKRNLCNMIJ-GFCCVEGCSA-N 1 0 265.353 2.320 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H]1C ZINC000768466026 646128222 /nfs/dbraw/zinc/12/82/22/646128222.db2.gz VNYTTXSUWUSDTR-ZETOZRRWSA-N 1 0 277.364 2.296 20 10 CECDRO CC[N@@H+](Cc1c(O)cccc1OC)C[C@@H]1CCOC1 ZINC000768521737 646134279 /nfs/dbraw/zinc/13/42/79/646134279.db2.gz UOCGOTUXHIBRPZ-LBPRGKRZSA-N 1 0 265.353 2.259 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)c(O)c1 ZINC000768537652 646136646 /nfs/dbraw/zinc/13/66/46/646136646.db2.gz RIQGHVZKIQCGOW-NWDGAFQWSA-N 1 0 265.353 2.400 20 10 CECDRO Cc1nc(CC[N@@H+](C)Cc2cc(Cl)ccc2O)no1 ZINC000769246618 646229734 /nfs/dbraw/zinc/22/97/34/646229734.db2.gz GOPFSJPQQZBRSS-UHFFFAOYSA-N 1 0 281.743 2.412 20 10 CECDRO CCOc1ccc(C[NH+]2CCC(OC(C)=O)CC2)c(O)c1 ZINC000769427816 646265061 /nfs/dbraw/zinc/26/50/61/646265061.db2.gz YUPVQZGHWIMVNT-UHFFFAOYSA-N 1 0 293.363 2.318 20 10 CECDRO C[N@H+](CCc1cnccn1)Cc1cc2c(cc1O)CCC2 ZINC000770662947 646423317 /nfs/dbraw/zinc/42/33/17/646423317.db2.gz BVKJKOZOPLGGKC-UHFFFAOYSA-N 1 0 283.375 2.345 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c(O)c1 ZINC000862529324 646485080 /nfs/dbraw/zinc/48/50/80/646485080.db2.gz RUAJMIDGOZORDQ-WMLDXEAASA-N 1 0 291.391 2.385 20 10 CECDRO CCOc1ccc(C[NH2+][C@]2(C)CCCOC2)c(O)c1 ZINC000771897818 646566855 /nfs/dbraw/zinc/56/68/55/646566855.db2.gz YOIQTZAKZPYTEM-OAHLLOKOSA-N 1 0 265.353 2.450 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000773046418 646699153 /nfs/dbraw/zinc/69/91/53/646699153.db2.gz LFPGBGPENBMODQ-IUODEOHRSA-N 1 0 277.412 2.270 20 10 CECDRO C[C@H]1CC[C@@H](NCc2cc(Cl)ccc2O)C[NH2+]1 ZINC000863483508 646739525 /nfs/dbraw/zinc/73/95/25/646739525.db2.gz BVELEQKRXMFBPR-JOYOIKCWSA-N 1 0 254.761 2.276 20 10 CECDRO C[C@@H]1CC[C@@H](NCc2cc(Cl)ccc2O)C[NH2+]1 ZINC000863483500 646739547 /nfs/dbraw/zinc/73/95/47/646739547.db2.gz BVELEQKRXMFBPR-BXKDBHETSA-N 1 0 254.761 2.276 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1cc(F)ccc1O ZINC000863543247 646751732 /nfs/dbraw/zinc/75/17/32/646751732.db2.gz MHBIHSUMMBYZEL-TVYUQYBPSA-N 1 0 252.333 2.322 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cc(OC)ccc1O ZINC000863542890 646752071 /nfs/dbraw/zinc/75/20/71/646752071.db2.gz IAOCHCJQAWWNER-DDTOSNHZSA-N 1 0 264.369 2.192 20 10 CECDRO CCCOc1ccccc1NC[C@@H](O)C[NH+]1CCCC1 ZINC000863556215 646755213 /nfs/dbraw/zinc/75/52/13/646755213.db2.gz OVCMBBQQJQDZMO-CQSZACIVSA-N 1 0 278.396 2.344 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2cnccn2)cc1C ZINC000774833258 646901408 /nfs/dbraw/zinc/90/14/08/646901408.db2.gz QWLIKBRJXSTVSN-UHFFFAOYSA-N 1 0 257.337 2.131 20 10 CECDRO C[C@@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccccc1O ZINC000775135859 646926216 /nfs/dbraw/zinc/92/62/16/646926216.db2.gz GZUKVHLEEZHBKT-ABAIWWIYSA-N 1 0 270.332 2.269 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000775674884 646979152 /nfs/dbraw/zinc/97/91/52/646979152.db2.gz NOUGLGFPFSVKIC-AWEZNQCLSA-N 1 0 287.363 2.434 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)c1O ZINC000775981340 647012864 /nfs/dbraw/zinc/01/28/64/647012864.db2.gz PNLOAFFFRLBDNL-CHWSQXEVSA-N 1 0 278.396 2.315 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CC2OCCO2)cc1 ZINC000777541517 647146583 /nfs/dbraw/zinc/14/65/83/647146583.db2.gz OHQOOCXFWMFRFL-UHFFFAOYSA-N 1 0 278.396 2.338 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000778188552 647207016 /nfs/dbraw/zinc/20/70/16/647207016.db2.gz HSVQDFXBWNDJMI-SNVBAGLBSA-N 1 0 277.755 2.347 20 10 CECDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000120534096 647277098 /nfs/dbraw/zinc/27/70/98/647277098.db2.gz RGOGXEUQFWRWQE-VBQJREDUSA-N 1 0 290.407 2.351 20 10 CECDRO OCCC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000778996482 647280180 /nfs/dbraw/zinc/28/01/80/647280180.db2.gz QUHURGKVLJCUGH-UHFFFAOYSA-N 1 0 253.317 2.126 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1O ZINC000779199674 647297097 /nfs/dbraw/zinc/29/70/97/647297097.db2.gz GNAVBVNNGDFXOH-ABAIWWIYSA-N 1 0 266.360 2.094 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1F ZINC000779202273 647297294 /nfs/dbraw/zinc/29/72/94/647297294.db2.gz MFZHQSFRKOQQES-ZDUSSCGKSA-N 1 0 266.360 2.239 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000779203154 647297878 /nfs/dbraw/zinc/29/78/78/647297878.db2.gz ZXGSXPLHJBSUDK-ZDUSSCGKSA-N 1 0 265.353 2.138 20 10 CECDRO C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000782776301 647656250 /nfs/dbraw/zinc/65/62/50/647656250.db2.gz AMDDLBCKMUFJPN-DYVFJYSZSA-N 1 0 292.423 2.191 20 10 CECDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccccc1O ZINC000783519998 647723993 /nfs/dbraw/zinc/72/39/93/647723993.db2.gz OFKYTAASNHPGRR-CHWSQXEVSA-N 1 0 275.348 2.487 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@H]2CCC=CO2)cc1OC ZINC000783704120 647749857 /nfs/dbraw/zinc/74/98/57/647749857.db2.gz AFNCRWHRXFWMMZ-LBPRGKRZSA-N 1 0 279.336 2.192 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H](OCCOC)C2)c(O)c1 ZINC000783715216 647750535 /nfs/dbraw/zinc/75/05/35/647750535.db2.gz KQLKZPMWCOTFIL-HNNXBMFYSA-N 1 0 295.379 2.028 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C2CN(c3ccncn3)C2)c(O)c1 ZINC000866495354 647806218 /nfs/dbraw/zinc/80/62/18/647806218.db2.gz BOAGFVGKEIEXEG-LBPRGKRZSA-N 1 0 284.363 2.030 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccnn1C ZINC000866616152 647843539 /nfs/dbraw/zinc/84/35/39/647843539.db2.gz ZJJNYFVYWWRUFT-PWSUYJOCSA-N 1 0 257.337 2.464 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1O ZINC000788268593 648167346 /nfs/dbraw/zinc/16/73/46/648167346.db2.gz GKOWXGAKLVDDLX-LDYMZIIASA-N 1 0 271.744 2.009 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c(O)c1 ZINC000788633826 648209513 /nfs/dbraw/zinc/20/95/13/648209513.db2.gz VADPXSDPMQFCLG-WMLDXEAASA-N 1 0 293.407 2.449 20 10 CECDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790976681 648466879 /nfs/dbraw/zinc/46/68/79/648466879.db2.gz LAXOSGXQYXKYGR-CVJBHZAOSA-N 1 0 293.791 2.431 20 10 CECDRO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1O)[C@H](C)[NH3+] ZINC000870987666 648970687 /nfs/dbraw/zinc/97/06/87/648970687.db2.gz ABYMNZPBDCNQBV-COPLHBTASA-N 1 0 264.369 2.189 20 10 CECDRO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000870988744 648971224 /nfs/dbraw/zinc/97/12/24/648971224.db2.gz YHISYCWJDHQPEZ-OLZOCXBDSA-N 1 0 276.380 2.349 20 10 CECDRO C[C@H](NC(=O)[C@H]1CCCC[C@]1(C)[NH3+])c1ccccc1O ZINC000870988477 648971235 /nfs/dbraw/zinc/97/12/35/648971235.db2.gz QPFKKVBWPMONMD-GHJWDPDVSA-N 1 0 276.380 2.477 20 10 CECDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202298 649030770 /nfs/dbraw/zinc/03/07/70/649030770.db2.gz CPJKRBHAEDCVBM-RYUDHWBXSA-N 1 0 274.364 2.107 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872264831 649333152 /nfs/dbraw/zinc/33/31/52/649333152.db2.gz FAWIEFBKEGYIJY-UHFFFAOYSA-N 1 0 299.374 2.248 20 10 CECDRO CCCOc1ccc(C[NH2+]CCC(=O)N(C)C)cc1C ZINC000873031048 649536784 /nfs/dbraw/zinc/53/67/84/649536784.db2.gz OCQCZYQZUDCCAA-UHFFFAOYSA-N 1 0 278.396 2.352 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H](C)C(=O)N(C)OC)cc1C ZINC000873145201 649569327 /nfs/dbraw/zinc/56/93/27/649569327.db2.gz IYJUVCLLPZJBJI-CYBMUJFWSA-N 1 0 294.395 2.282 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2COCC[C@H]2O)cc1C ZINC000873150178 649570375 /nfs/dbraw/zinc/57/03/75/649570375.db2.gz YZLFQCRNEPQFRB-HUUCEWRRSA-N 1 0 279.380 2.023 20 10 CECDRO CCOc1ccc(C[NH2+]CCC[C@H]2CCOC2=O)c(O)c1 ZINC000873161634 649575501 /nfs/dbraw/zinc/57/55/01/649575501.db2.gz AMTWVUMAHWGPJK-LBPRGKRZSA-N 1 0 293.363 2.224 20 10 CECDRO CCCN(Cc1ccccc1O)CC12CC(C1)C[NH2+]2 ZINC000873204370 649587726 /nfs/dbraw/zinc/58/77/26/649587726.db2.gz CFAXFBVVHFXDDT-UHFFFAOYSA-N 1 0 260.381 2.356 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1[O-] ZINC000873258781 649613295 /nfs/dbraw/zinc/61/32/95/649613295.db2.gz VZNGENRJGZZHRU-GAFUQQFSSA-N 1 0 252.333 2.309 20 10 CECDRO CN1CCCc2cc(C[NH2+]CC3(O)CCC3)ccc21 ZINC000127381969 651200550 /nfs/dbraw/zinc/20/05/50/651200550.db2.gz ZEMGYSHJIFUGEM-UHFFFAOYSA-N 1 0 260.381 2.074 20 10 CECDRO CC[C@@]1(O)CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000879310657 651281187 /nfs/dbraw/zinc/28/11/87/651281187.db2.gz LFUIRTKCYUZDAC-MRXNPFEDSA-N 1 0 295.354 2.471 20 10 CECDRO CCCNC(=O)CCC[NH2+][C@H](C)c1ccccc1O ZINC000879648937 651335309 /nfs/dbraw/zinc/33/53/09/651335309.db2.gz GREUXCDVQVEROO-GFCCVEGCSA-N 1 0 264.369 2.349 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)COCc1ccco1)c1ccccc1O ZINC000879648733 651335478 /nfs/dbraw/zinc/33/54/78/651335478.db2.gz BFIJXCSMBFESOU-OLZOCXBDSA-N 1 0 291.347 2.214 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCCC1)c1ccccc1O ZINC000879650356 651335634 /nfs/dbraw/zinc/33/56/34/651335634.db2.gz WOKPIVNGZWZQCT-STQMWFEESA-N 1 0 279.380 2.099 20 10 CECDRO CCCOC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000882662271 652174534 /nfs/dbraw/zinc/17/45/34/652174534.db2.gz DAOFTSSCZUMFOT-UHFFFAOYSA-N 1 0 291.395 2.075 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCOC3(CCC3)C2)c1O ZINC000129865135 652186411 /nfs/dbraw/zinc/18/64/11/652186411.db2.gz HVPPWZQMFWVXHC-UHFFFAOYSA-N 1 0 277.364 2.464 20 10 CECDRO Nc1cnccc1C[NH2+]CCCSc1nccs1 ZINC000883012682 652324000 /nfs/dbraw/zinc/32/40/00/652324000.db2.gz OERGEGQGGGNCQA-UHFFFAOYSA-N 1 0 280.422 2.392 20 10 CECDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cc(Cl)ccc1O ZINC000131512636 652432194 /nfs/dbraw/zinc/43/21/94/652432194.db2.gz VEINKGLCXFLPLA-SKDRFNHKSA-N 1 0 254.761 2.357 20 10 CECDRO CCN1CC[C@H]1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000883361275 652443436 /nfs/dbraw/zinc/44/34/36/652443436.db2.gz YMCNLAAXOCJFOU-ZDUSSCGKSA-N 1 0 265.376 2.076 20 10 CECDRO CC(C)C[N@H+](CCN(C)C)Cc1cc2c(cc1O)OCO2 ZINC000132553888 652531780 /nfs/dbraw/zinc/53/17/80/652531780.db2.gz WEYILJRUPUJXPM-UHFFFAOYSA-N 1 0 294.395 2.141 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cncs2)c1 ZINC000133110046 652600178 /nfs/dbraw/zinc/60/01/78/652600178.db2.gz LFZDUJMETVTELT-UHFFFAOYSA-N 1 0 250.323 2.147 20 10 CECDRO Oc1ccccc1C[NH2+]CCCOCC(F)(F)F ZINC000134226375 652795690 /nfs/dbraw/zinc/79/56/90/652795690.db2.gz RJRAGGMQHALXHJ-UHFFFAOYSA-N 1 0 263.259 2.451 20 10 CECDRO C[C@@H]([NH2+]CC(=O)N1CCCCC1)c1ccccc1O ZINC000135719619 652980232 /nfs/dbraw/zinc/98/02/32/652980232.db2.gz ZSBSSNKSRMUHLQ-GFCCVEGCSA-N 1 0 262.353 2.055 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(O)c1 ZINC000093507457 806513556 /nfs/dbraw/zinc/51/35/56/806513556.db2.gz SFIVBZPQOMRXME-CZUORRHYSA-N 1 0 277.364 2.402 20 10 CECDRO Oc1cc(F)c(F)cc1CN1CC[NH+](CC2CC2)CC1 ZINC001142520135 806614528 /nfs/dbraw/zinc/61/45/28/806614528.db2.gz CBYVBKUHTZICBD-UHFFFAOYSA-N 1 0 282.334 2.198 20 10 CECDRO CC1(C)OCC[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000693117509 802655751 /nfs/dbraw/zinc/65/57/51/802655751.db2.gz BQQVEPRHNKMIAC-NSHDSACASA-N 1 0 279.336 2.026 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)CO1 ZINC000402293435 802824903 /nfs/dbraw/zinc/82/49/03/802824903.db2.gz NPXQYYQPOLRZJZ-LDYMZIIASA-N 1 0 286.169 2.422 20 10 CECDRO C[C@@H]1CN(Cc2c(O)cccc2Br)CC[N@@H+]1C ZINC000707157053 802897574 /nfs/dbraw/zinc/89/75/74/802897574.db2.gz ZQHUEAMEUNPEAE-SNVBAGLBSA-N 1 0 299.212 2.291 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccc2ccccc2c1O ZINC000398338356 803316286 /nfs/dbraw/zinc/31/62/86/803316286.db2.gz JLCRFZYAPUBQCZ-NEPJUHHUSA-N 1 0 284.359 2.332 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724814794 803495044 /nfs/dbraw/zinc/49/50/44/803495044.db2.gz VPLBGMNMGHCRQS-HZMBPMFUSA-N 1 0 251.301 2.142 20 10 CECDRO COC1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140741989 803511674 /nfs/dbraw/zinc/51/16/74/803511674.db2.gz GJRUEWZYUUTIMC-UHFFFAOYSA-N 1 0 251.326 2.017 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CC12CC2 ZINC000715241799 814951542 /nfs/dbraw/zinc/95/15/42/814951542.db2.gz XLHOBMHZNMFLAD-HNNXBMFYSA-N 1 0 258.365 2.165 20 10 CECDRO C[C@H]([NH2+]Cc1ccccc1O)c1nnc2ccccn21 ZINC000036968880 814959089 /nfs/dbraw/zinc/95/90/89/814959089.db2.gz XFTWUHJHRMEWQF-NSHDSACASA-N 1 0 268.320 2.286 20 10 CECDRO CN(C)c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996433 814979190 /nfs/dbraw/zinc/97/91/90/814979190.db2.gz CNODLFNIZNNMRS-IAGOWNOFSA-N 1 0 273.424 2.469 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CO)CC(F)F)cc1F ZINC001118859491 815050616 /nfs/dbraw/zinc/05/06/16/815050616.db2.gz JQRCGDJIOHOJQU-SECBINFHSA-N 1 0 294.292 2.137 20 10 CECDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001120371104 807187253 /nfs/dbraw/zinc/18/72/53/807187253.db2.gz QJFLYBZZLNXRMP-NSHDSACASA-N 1 0 272.396 2.340 20 10 CECDRO COc1cc(O)c(C[NH+]2CCC(C)(O)CC2)cc1Cl ZINC001232267152 807238833 /nfs/dbraw/zinc/23/88/33/807238833.db2.gz XWCSUWHSVBHUND-UHFFFAOYSA-N 1 0 285.771 2.401 20 10 CECDRO COCC[C@H](COC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000311492529 807379220 /nfs/dbraw/zinc/37/92/20/807379220.db2.gz CLWOVLBRWIDOFF-CQSZACIVSA-N 1 0 267.369 2.145 20 10 CECDRO Cc1ccc2c(c1)O[C@H](C)CN2C(=O)C1=CCC[NH2+]CC1 ZINC001121960494 807549701 /nfs/dbraw/zinc/54/97/01/807549701.db2.gz SOPNNGKXKGPTQH-CYBMUJFWSA-N 1 0 286.375 2.419 20 10 CECDRO [NH3+][C@H]1CCCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001205124694 807724925 /nfs/dbraw/zinc/72/49/25/807724925.db2.gz YFLLVTFAOVGBRM-JTQLQIEISA-N 1 0 272.751 2.498 20 10 CECDRO CN1CC[C@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272618079 807821372 /nfs/dbraw/zinc/82/13/72/807821372.db2.gz AVQFWWLOFRMNBD-KRWDZBQOSA-N 1 0 288.391 2.227 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)C(=O)NC(C)(C)C)c1O ZINC000691468304 807891308 /nfs/dbraw/zinc/89/13/08/807891308.db2.gz UNMVLOVPJMIHIT-LLVKDONJSA-N 1 0 278.396 2.347 20 10 CECDRO CCC[C@@H](CCO)[NH2+]Cc1cc(OC)ccc1O ZINC000716895861 815158072 /nfs/dbraw/zinc/15/80/72/815158072.db2.gz UHQNIEJFWKCJKT-LBPRGKRZSA-N 1 0 253.342 2.042 20 10 CECDRO COc1cc(C)c(C[N@@H+]2CCC[C@@H](CO)CC2)c(O)c1 ZINC001236809016 808169289 /nfs/dbraw/zinc/16/92/89/808169289.db2.gz SPHVELVUICZUNF-CYBMUJFWSA-N 1 0 279.380 2.304 20 10 CECDRO COCC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000691807383 808170827 /nfs/dbraw/zinc/17/08/27/808170827.db2.gz QDPYKTRDASFXKI-NSHDSACASA-N 1 0 265.353 2.478 20 10 CECDRO CCOc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c(O)c1 ZINC001237050945 808188046 /nfs/dbraw/zinc/18/80/46/808188046.db2.gz YTHDGJPRHMLMEY-AAEUAGOBSA-N 1 0 265.353 2.136 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2O)CC12CC2 ZINC001237491677 808221156 /nfs/dbraw/zinc/22/11/56/808221156.db2.gz QKBINWYOQKGQIU-ZDUSSCGKSA-N 1 0 275.348 2.086 20 10 CECDRO COc1cc(C[N@H+]2CCC[C@H](OC)C2)c(O)c(OC)c1 ZINC001237674926 808238599 /nfs/dbraw/zinc/23/85/99/808238599.db2.gz NIOLRUJTWFEYGA-LBPRGKRZSA-N 1 0 281.352 2.020 20 10 CECDRO Oc1ccccc1CN1CCc2nc(Cl)ncc2C1 ZINC001203556061 808699683 /nfs/dbraw/zinc/69/96/83/808699683.db2.gz JBXCMALHOUFHTA-UHFFFAOYSA-N 1 0 275.739 2.394 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2CCO[C@@H]1CC1(F)F ZINC000700869159 809365502 /nfs/dbraw/zinc/36/55/02/809365502.db2.gz XYQSSNQWRVGLGZ-CQSZACIVSA-N 1 0 282.334 2.322 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC001118221454 810116690 /nfs/dbraw/zinc/11/66/90/810116690.db2.gz CZOJXLRSVATGBR-MRXNPFEDSA-N 1 0 289.423 2.209 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c1O ZINC000387963102 810385979 /nfs/dbraw/zinc/38/59/79/810385979.db2.gz ROCFHGGQSOFJKG-WCQYABFASA-N 1 0 265.353 2.042 20 10 CECDRO CC1=NO[C@@H](C[NH2+]Cc2cc(Br)ccc2O)C1 ZINC000820265209 810550514 /nfs/dbraw/zinc/55/05/14/810550514.db2.gz LFHAQLMUXUTCEF-LLVKDONJSA-N 1 0 299.168 2.409 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC3)C2)cc1C ZINC001018391160 810608810 /nfs/dbraw/zinc/60/88/10/810608810.db2.gz GAQPBOOLMZEUNI-HNNXBMFYSA-N 1 0 288.391 2.104 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)CC2CC2)cc1C ZINC001122546788 815424219 /nfs/dbraw/zinc/42/42/19/815424219.db2.gz YOTSFXYKISAAOF-UHFFFAOYSA-N 1 0 276.380 2.010 20 10 CECDRO COCC1([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691430990 811661837 /nfs/dbraw/zinc/66/18/37/811661837.db2.gz VKSPQRDJFCIJMZ-UHFFFAOYSA-N 1 0 286.169 2.423 20 10 CECDRO CCc1cccc(C[NH2+][C@H](CO)C(C)(C)C)c1O ZINC000691436550 811761994 /nfs/dbraw/zinc/76/19/94/811761994.db2.gz RVEJMKIWXHOZMJ-CYBMUJFWSA-N 1 0 251.370 2.451 20 10 CECDRO C[C@H]1C[N@H+](Cc2c([O-])ccc(F)c2F)CCC[C@H]1C[NH3+] ZINC001206026832 811837794 /nfs/dbraw/zinc/83/77/94/811837794.db2.gz UCCYUGVTZYMXPT-QWRGUYRKSA-N 1 0 284.350 2.477 20 10 CECDRO CC(C)(CCO)[NH2+]Cc1ccc(Br)cc1O ZINC000691456909 811861772 /nfs/dbraw/zinc/86/17/72/811861772.db2.gz XEDGJMRWGJDDCY-UHFFFAOYSA-N 1 0 288.185 2.405 20 10 CECDRO CCc1cccc(C[NH2+]CCC(=O)N[C@@H](C)CC)c1O ZINC000691464610 811898567 /nfs/dbraw/zinc/89/85/67/811898567.db2.gz IYWWMBTZWWSWPY-LBPRGKRZSA-N 1 0 278.396 2.349 20 10 CECDRO CCc1cccc(C[NH2+]CCC[C@@H](C)CO)c1O ZINC000691496818 811959485 /nfs/dbraw/zinc/95/94/85/811959485.db2.gz VYGKSFSYGIMZHY-GFCCVEGCSA-N 1 0 251.370 2.453 20 10 CECDRO CCc1cccc(C[NH2+]Cc2cnn(C)c2C)c1O ZINC000691525566 812579219 /nfs/dbraw/zinc/57/92/19/812579219.db2.gz TWFLVWJQZWZNPB-UHFFFAOYSA-N 1 0 259.353 2.286 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2O)C1 ZINC001170523767 812619167 /nfs/dbraw/zinc/61/91/67/812619167.db2.gz INPVWBKGCYDQTQ-CHWSQXEVSA-N 1 0 277.364 2.440 20 10 CECDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC001172917388 815544601 /nfs/dbraw/zinc/54/46/01/815544601.db2.gz FZVLUVMTZQSHOB-WCQYABFASA-N 1 0 251.326 2.145 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)C[C@H]2C[C@@H]2C)cc1C ZINC001133357361 813035772 /nfs/dbraw/zinc/03/57/72/813035772.db2.gz XEJDDESSABZSTA-SWLSCSKDSA-N 1 0 290.407 2.256 20 10 CECDRO CCCN1CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000389205088 813249817 /nfs/dbraw/zinc/24/98/17/813249817.db2.gz ATUONIACFVAWCX-ZIAGYGMSSA-N 1 0 260.381 2.453 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC)C2)cc1 ZINC000391475148 813285573 /nfs/dbraw/zinc/28/55/73/813285573.db2.gz OAYJOYJAGWTNIC-OAHLLOKOSA-N 1 0 289.423 2.243 20 10 CECDRO COc1ccc(C[NH2+]Cc2ncc(Cl)n2C)c(O)c1 ZINC000393319295 813311698 /nfs/dbraw/zinc/31/16/98/813311698.db2.gz DPBRGUWJJXURGM-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO CCC1(C[NH2+][C@H](C)c2cc(OC)ccc2O)COC1 ZINC000393971422 813334104 /nfs/dbraw/zinc/33/41/04/813334104.db2.gz NCGQDIAFDOCYGZ-LLVKDONJSA-N 1 0 265.353 2.478 20 10 CECDRO CC1(C)CN(Cc2cc(Br)ccc2O)CC[NH2+]1 ZINC000396049889 813556127 /nfs/dbraw/zinc/55/61/27/813556127.db2.gz DFAAGKCGEPNIDU-UHFFFAOYSA-N 1 0 299.212 2.339 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c1O ZINC000398174444 813660145 /nfs/dbraw/zinc/66/01/45/813660145.db2.gz VJEYAUXHGJBKFV-JQWIXIFHSA-N 1 0 251.326 2.058 20 10 CECDRO COc1cc(C[NH2+]Cc2ccccc2O)sn1 ZINC000399218532 813703575 /nfs/dbraw/zinc/70/35/75/813703575.db2.gz XTDSMLMFBQIORW-UHFFFAOYSA-N 1 0 250.323 2.147 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000689583659 813967870 /nfs/dbraw/zinc/96/78/70/813967870.db2.gz DFMOKKMMUIRLGL-NSHDSACASA-N 1 0 266.341 2.049 20 10 CECDRO Oc1cc(O)c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001144500606 814090864 /nfs/dbraw/zinc/09/08/64/814090864.db2.gz WPGDUVMVCHQCTA-GHMZBOCLSA-N 1 0 263.337 2.425 20 10 CECDRO CC1(C)C[NH+](Cc2c(O)cc(O)cc2O)CC(C)(C)O1 ZINC001144515632 814099660 /nfs/dbraw/zinc/09/96/60/814099660.db2.gz TUYFOQOKNCNUBC-UHFFFAOYSA-N 1 0 281.352 2.193 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccccc1O ZINC000694778801 814636392 /nfs/dbraw/zinc/63/63/92/814636392.db2.gz YIOUTEFJQHGMPY-VXGBXAGGSA-N 1 0 283.393 2.010 20 10 CECDRO CCN1CC[C@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000712568785 814767246 /nfs/dbraw/zinc/76/72/46/814767246.db2.gz GIUFUAKTMFTFEQ-LBPRGKRZSA-N 1 0 284.787 2.238 20 10 CECDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCc1ccccc1O ZINC000713069274 814843347 /nfs/dbraw/zinc/84/33/47/814843347.db2.gz CVALTBZSUXHINL-ZDUSSCGKSA-N 1 0 264.369 2.018 20 10 CECDRO COC(=O)CC(C)(C)[N@H+](C)Cc1ccccc1O ZINC001116449287 814854692 /nfs/dbraw/zinc/85/46/92/814854692.db2.gz PLNVMWDPHLOKFV-UHFFFAOYSA-N 1 0 251.326 2.166 20 10 CECDRO CCC[NH+]1C[C@@H]2CN(Cc3c(O)cccc3F)C[C@H]2C1 ZINC001137840402 815695692 /nfs/dbraw/zinc/69/56/92/815695692.db2.gz ZJJXQPNARCSLPU-CHWSQXEVSA-N 1 0 278.371 2.305 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001138123838 815730346 /nfs/dbraw/zinc/73/03/46/815730346.db2.gz NXYSMVCKMCMPNY-UHFFFAOYSA-N 1 0 251.301 2.144 20 10 CECDRO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001138129543 815733619 /nfs/dbraw/zinc/73/36/19/815733619.db2.gz JPTPRQXDKNIRGV-UHTWSYAYSA-N 1 0 293.338 2.305 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c2ccccc2n1C ZINC001138252838 815754994 /nfs/dbraw/zinc/75/49/94/815754994.db2.gz WHQKDFAOKTXWJG-HOCLYGCPSA-N 1 0 276.355 2.391 20 10 CECDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138355045 815774937 /nfs/dbraw/zinc/77/49/37/815774937.db2.gz ZTYDXRGSDLOOHA-BBRMVZONSA-N 1 0 274.408 2.414 20 10 CECDRO C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(F)ccc(F)c3[O-])C[C@@H]2C1 ZINC001139681235 816079948 /nfs/dbraw/zinc/07/99/48/816079948.db2.gz NDSAMVKVMYCGDV-MNOVXSKESA-N 1 0 282.334 2.054 20 10 CECDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1c([O-])c(F)ccc1F ZINC001139686418 816083849 /nfs/dbraw/zinc/08/38/49/816083849.db2.gz YORPMRNOXOJQJG-LBPRGKRZSA-N 1 0 271.307 2.406 20 10 CECDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC001140060180 816181323 /nfs/dbraw/zinc/18/13/23/816181323.db2.gz ODAUKIYAXXXXBD-AWEZNQCLSA-N 1 0 264.344 2.200 20 10 CECDRO CC[N@H+]1C[C@H]2CN(Cc3c(O)cccc3Cl)C[C@H]2C1 ZINC001140342572 816237347 /nfs/dbraw/zinc/23/73/47/816237347.db2.gz PPSBTMVCOXYMST-TXEJJXNPSA-N 1 0 280.799 2.429 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461821 816260498 /nfs/dbraw/zinc/26/04/98/816260498.db2.gz UOZFIQOLUDZWEM-NSHDSACASA-N 1 0 283.755 2.431 20 10 CECDRO O=C1NCC2(CC[NH+](Cc3ccc(Cl)cc3O)CC2)O1 ZINC001140465679 816262160 /nfs/dbraw/zinc/26/21/60/816262160.db2.gz QVMUJYGFODKFCB-UHFFFAOYSA-N 1 0 296.754 2.120 20 10 CECDRO Oc1cc(Cl)ccc1CN1CCCC2(C1)OCCO2 ZINC001140466087 816263067 /nfs/dbraw/zinc/26/30/67/816263067.db2.gz WTGCFUVXQMIOEL-UHFFFAOYSA-N 1 0 283.755 2.385 20 10 CECDRO CC(C)C[NH+]1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140580738 816291699 /nfs/dbraw/zinc/29/16/99/816291699.db2.gz DTTRSWGNAVAYHI-UHFFFAOYSA-N 1 0 284.350 2.444 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ncccn3)C2)c1 ZINC001140624017 816305997 /nfs/dbraw/zinc/30/59/97/816305997.db2.gz CAYIPHFYSMNLCK-AWEZNQCLSA-N 1 0 285.347 2.144 20 10 CECDRO Cc1ccc(O)c(C[N@H+](C)Cc2cnc(C)nc2)c1 ZINC001140623192 816306802 /nfs/dbraw/zinc/30/68/02/816306802.db2.gz JZGHTGTUAXZJSK-UHFFFAOYSA-N 1 0 257.337 2.431 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC001140744060 816339973 /nfs/dbraw/zinc/33/99/73/816339973.db2.gz KEYHQBAIRRGSCY-OAHLLOKOSA-N 1 0 263.337 2.019 20 10 CECDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140747622 816341727 /nfs/dbraw/zinc/34/17/27/816341727.db2.gz GQURPRVZTFHNPC-HZMBPMFUSA-N 1 0 295.379 2.426 20 10 CECDRO CCN(CC[NH+]1CCCC1)Cc1ccc(O)c(C)c1O ZINC001140746426 816341924 /nfs/dbraw/zinc/34/19/24/816341924.db2.gz YQNVSPLFTDUORO-UHFFFAOYSA-N 1 0 278.396 2.324 20 10 CECDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749424 816342857 /nfs/dbraw/zinc/34/28/57/816342857.db2.gz YYLVWADWRWZGMJ-ZWNOBZJWSA-N 1 0 293.363 2.037 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CC(C)=O)c(O)c1 ZINC001140850950 816383429 /nfs/dbraw/zinc/38/34/29/816383429.db2.gz WRHIEBBQVQOBJE-UHFFFAOYSA-N 1 0 264.369 2.259 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c(O)c1 ZINC001140947750 816422335 /nfs/dbraw/zinc/42/23/35/816422335.db2.gz DDXLALAAQYVGLT-OAHLLOKOSA-N 1 0 267.344 2.387 20 10 CECDRO Cc1ccc(C[N@@H+](C)[C@H]2CCC3(C2)OCCO3)c(O)c1 ZINC001140954439 816424117 /nfs/dbraw/zinc/42/41/17/816424117.db2.gz RNFBARSCFCQSBQ-AWEZNQCLSA-N 1 0 277.364 2.428 20 10 CECDRO CN(Cc1ccon1)Cc1ccc2c(c1)OCCN2C ZINC001141144247 816485925 /nfs/dbraw/zinc/48/59/25/816485925.db2.gz XCFAAYYRTWOPIN-UHFFFAOYSA-N 1 0 273.336 2.135 20 10 CECDRO COC(=O)CC[N@H+](Cc1cc(O)ccc1O)C1CCCC1 ZINC001141158710 816490404 /nfs/dbraw/zinc/49/04/04/816490404.db2.gz KRVVBDKXAWNURH-UHFFFAOYSA-N 1 0 293.363 2.406 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC001141156727 816490459 /nfs/dbraw/zinc/49/04/59/816490459.db2.gz SFNUOTACSIPMHE-HNNXBMFYSA-N 1 0 263.337 2.100 20 10 CECDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141160080 816492321 /nfs/dbraw/zinc/49/23/21/816492321.db2.gz QIPLQGDWQYOAQG-AWEZNQCLSA-N 1 0 265.353 2.487 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC001141160419 816492475 /nfs/dbraw/zinc/49/24/75/816492475.db2.gz XWYDTEVERGZOFE-GFCCVEGCSA-N 1 0 255.264 2.329 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@H]2CC)c1O ZINC000839192643 816569032 /nfs/dbraw/zinc/56/90/32/816569032.db2.gz SMGMMZUYEHQVAS-OLZOCXBDSA-N 1 0 265.353 2.448 20 10 CECDRO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCSC1 ZINC000125020809 365664191 /nfs/dbraw/zinc/66/41/91/365664191.db2.gz LFHMHVWIAHKVMF-JTQLQIEISA-N 1 0 267.350 2.058 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H]2CCCO2)c1O ZINC000019963569 361572216 /nfs/dbraw/zinc/57/22/16/361572216.db2.gz MLYHXVQHBVONQZ-GFCCVEGCSA-N 1 0 251.326 2.060 20 10 CECDRO CCOc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000092757222 364104681 /nfs/dbraw/zinc/10/46/81/364104681.db2.gz FJHCNPLWAIZAPD-OAHLLOKOSA-N 1 0 290.407 2.461 20 10 CECDRO C[NH+](C)[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000237193310 370699732 /nfs/dbraw/zinc/69/97/32/370699732.db2.gz KUVCEPVVTPMWCL-QGZVFWFLSA-N 1 0 297.402 2.230 20 10 CECDRO CCCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000111235241 364724431 /nfs/dbraw/zinc/72/44/31/364724431.db2.gz KIHOXFZNLSFSFP-GFCCVEGCSA-N 1 0 264.369 2.129 20 10 CECDRO COC(=O)N1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113327823 364887002 /nfs/dbraw/zinc/88/70/02/364887002.db2.gz KUHQIXFTXMRMLZ-UHFFFAOYSA-N 1 0 298.770 2.366 20 10 CECDRO CC[C@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@@H](C)O1 ZINC000245560683 370838711 /nfs/dbraw/zinc/83/87/11/370838711.db2.gz MZLCGXNSFACEQF-YPMHNXCESA-N 1 0 265.353 2.400 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C[S@@](C)=O)cc1 ZINC000168215896 367350362 /nfs/dbraw/zinc/35/03/62/367350362.db2.gz GLUYKHMCAPUWFL-DJJJIMSYSA-N 1 0 282.453 2.389 20 10 CECDRO Oc1ccc(F)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000180025197 368362778 /nfs/dbraw/zinc/36/27/78/368362778.db2.gz MDTSUWOOCGVGJG-AWEZNQCLSA-N 1 0 264.344 2.201 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)CCOCC2CC2)c1 ZINC000180581617 368388277 /nfs/dbraw/zinc/38/82/77/368388277.db2.gz SRUFSLUUBKZJNK-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)C(=O)NC(C)(C)C ZINC000181234807 368435215 /nfs/dbraw/zinc/43/52/15/368435215.db2.gz RATOBHMDTIGVPI-NXEZZACHSA-N 1 0 282.359 2.485 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000189341949 369501143 /nfs/dbraw/zinc/50/11/43/369501143.db2.gz SXURMZXJZGQVJH-UTUOFQBUSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1OC ZINC000190303898 369611202 /nfs/dbraw/zinc/61/12/02/369611202.db2.gz BACNIPWPZPGLST-WCQYABFASA-N 1 0 295.379 2.050 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccnn1C ZINC000192780149 369852949 /nfs/dbraw/zinc/85/29/49/369852949.db2.gz VSYMCCXRFFQYJI-NSHDSACASA-N 1 0 276.359 2.476 20 10 CECDRO [NH3+][C@@H]1CC=C(C(=O)N2C[C@H]3CCCN3c3ccccc32)C1 ZINC000638076618 370282763 /nfs/dbraw/zinc/28/27/63/370282763.db2.gz ZMSDYBHWPOKUBT-ZIAGYGMSSA-N 1 0 283.375 2.050 20 10 CECDRO C[C@@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)c2c(O)cccc21 ZINC000638317613 370443009 /nfs/dbraw/zinc/44/30/09/370443009.db2.gz MLVJHBZSRXJFEB-ZYHUDNBSSA-N 1 0 272.348 2.280 20 10 CECDRO CCCOc1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c(O)c1 ZINC000233250874 370518117 /nfs/dbraw/zinc/51/81/17/370518117.db2.gz PSRALCKDJMJJAM-IYBDPMFKSA-N 1 0 295.379 2.027 20 10 CECDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(C)ccc1O ZINC000248876503 371261273 /nfs/dbraw/zinc/26/12/73/371261273.db2.gz WCHMKTPZKPUJMS-XPKDYRNWSA-N 1 0 289.375 2.474 20 10 CECDRO COc1cc(O)c(C[NH+]2C[C@H](C)[C@@H](C)C2)cc1OC ZINC000271121090 373131033 /nfs/dbraw/zinc/13/10/33/373131033.db2.gz YDNUUYQYDNMGEK-QWRGUYRKSA-N 1 0 265.353 2.497 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCCN([C@@H](C)CO)CC1 ZINC000367306773 373147621 /nfs/dbraw/zinc/14/76/21/373147621.db2.gz AMPCXIISNYKRNS-GOEBONIOSA-N 1 0 292.423 2.232 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(C)(O)CC2)cc1F ZINC000271197314 373173771 /nfs/dbraw/zinc/17/37/71/373173771.db2.gz RZOAOKSCVCXDEI-UHFFFAOYSA-N 1 0 266.360 2.239 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC000271412528 373190211 /nfs/dbraw/zinc/19/02/11/373190211.db2.gz XXQROTWGFYMGEH-RNCFNFMXSA-N 1 0 255.745 2.248 20 10 CECDRO CCC[N@H+](Cc1cc(OC)ccc1O)CC(C)(C)O ZINC000271698803 373198389 /nfs/dbraw/zinc/19/83/89/373198389.db2.gz BZKZJQVXSXFWSG-UHFFFAOYSA-N 1 0 267.369 2.384 20 10 CECDRO CC(C)[N@@H+]1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000272227759 373371781 /nfs/dbraw/zinc/37/17/81/373371781.db2.gz DFVKDELJXFDIJH-UHFFFAOYSA-N 1 0 266.360 2.447 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272267705 373396784 /nfs/dbraw/zinc/39/67/84/373396784.db2.gz BHWSAPQRFQTZKG-WBVHZDCISA-N 1 0 273.424 2.279 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H](O)C(F)(F)F ZINC000272520642 373529696 /nfs/dbraw/zinc/52/96/96/373529696.db2.gz YFPDBPGHVAHJJS-ONGXEEELSA-N 1 0 281.249 2.323 20 10 CECDRO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccccc1O ZINC000272931962 373719432 /nfs/dbraw/zinc/71/94/32/373719432.db2.gz ZQRYRUNWPUVEKW-DOMZBBRYSA-N 1 0 280.437 2.480 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC2CC2)c(O)c1C ZINC000273497848 373760222 /nfs/dbraw/zinc/76/02/22/373760222.db2.gz YFCLOZPSWLLBDZ-GFCCVEGCSA-N 1 0 276.380 2.186 20 10 CECDRO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273595940 373767213 /nfs/dbraw/zinc/76/72/13/373767213.db2.gz QPNKBXPWGRBQPE-UWVGGRQHSA-N 1 0 280.759 2.376 20 10 CECDRO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000273595942 373767353 /nfs/dbraw/zinc/76/73/53/373767353.db2.gz QPNKBXPWGRBQPE-ZJUUUORDSA-N 1 0 280.759 2.376 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c1 ZINC000371412439 373872979 /nfs/dbraw/zinc/87/29/79/373872979.db2.gz GTHMWTQISWVFBJ-YUELXQCFSA-N 1 0 288.391 2.319 20 10 CECDRO Cc1cccc(C[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c1O ZINC000371425127 373876939 /nfs/dbraw/zinc/87/69/39/373876939.db2.gz RCQSJWPMAGRXDX-QEJZJMRPSA-N 1 0 288.391 2.319 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000374998464 374638665 /nfs/dbraw/zinc/63/86/65/374638665.db2.gz NLLQCFMNIJXDMZ-STQMWFEESA-N 1 0 277.364 2.259 20 10 CECDRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000374674046 374626505 /nfs/dbraw/zinc/62/65/05/374626505.db2.gz AHRYVVHMKYSFJA-CZUORRHYSA-N 1 0 275.348 2.167 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CCCO)cc1F ZINC000281823541 375398455 /nfs/dbraw/zinc/39/84/55/375398455.db2.gz RHJHSOJGIXHZSI-UHFFFAOYSA-N 1 0 268.376 2.486 20 10 CECDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)c(F)c2)n(C)n1 ZINC000284138354 375815502 /nfs/dbraw/zinc/81/55/02/375815502.db2.gz YPSIQUMOZRQJOU-UHFFFAOYSA-N 1 0 276.359 2.223 20 10 CECDRO COCC[C@@](C)(O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284277547 375826400 /nfs/dbraw/zinc/82/64/00/375826400.db2.gz XGABCKVNMXJGBC-XJKSGUPXSA-N 1 0 281.396 2.447 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000285350028 375838657 /nfs/dbraw/zinc/83/86/57/375838657.db2.gz PMTPTIXQWQQYIT-KRWDZBQOSA-N 1 0 290.407 2.134 20 10 CECDRO CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(F)cc1[O-] ZINC000285929056 375846307 /nfs/dbraw/zinc/84/63/07/375846307.db2.gz FDNXTSCFLNXTFT-AWEZNQCLSA-N 1 0 296.386 2.029 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)C[S@@](C)=O)c1ccc(F)cc1[O-] ZINC000286272475 375893386 /nfs/dbraw/zinc/89/33/86/375893386.db2.gz VOYPFZPDVGEYFN-RPRQWQAVSA-N 1 0 273.373 2.339 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1 ZINC000289195506 376389002 /nfs/dbraw/zinc/38/90/02/376389002.db2.gz AZXKMAQSBZEMEN-NEPJUHHUSA-N 1 0 265.353 2.163 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000289358899 376393049 /nfs/dbraw/zinc/39/30/49/376393049.db2.gz YLYMPLYSNLDBET-UHFFFAOYSA-N 1 0 292.360 2.184 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)[C@@H](O)C(F)F ZINC000294989582 378034426 /nfs/dbraw/zinc/03/44/26/378034426.db2.gz HIMCAUZCVNQYBX-ZYHUDNBSSA-N 1 0 259.296 2.195 20 10 CECDRO CC[NH+](CC)CCSc1ncc(C(=O)OC)s1 ZINC000295165385 378045890 /nfs/dbraw/zinc/04/58/90/378045890.db2.gz HPBUKSNWOULHDL-UHFFFAOYSA-N 1 0 274.411 2.364 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000296345199 378498679 /nfs/dbraw/zinc/49/86/79/378498679.db2.gz IAJXUDMGUWMONS-GJZGRUSLSA-N 1 0 275.396 2.072 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(Cl)cc1O ZINC000527956352 379857305 /nfs/dbraw/zinc/85/73/05/379857305.db2.gz VODYDTGBXCWSBH-CUOATXAZSA-N 1 0 285.771 2.236 20 10 CECDRO C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1O ZINC000530216261 328716796 /nfs/dbraw/zinc/71/67/96/328716796.db2.gz PAIANCSNHFWMLZ-QMTHXVAHSA-N 1 0 264.344 2.467 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000273363270 292014315 /nfs/dbraw/zinc/01/43/15/292014315.db2.gz AUFQVJNPHHBURH-RYUDHWBXSA-N 1 0 294.395 2.170 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCN(CCOC(C)C)CC2)c1 ZINC000093586756 394667018 /nfs/dbraw/zinc/66/70/18/394667018.db2.gz LYRXSZFOUNACSK-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000104853219 394720960 /nfs/dbraw/zinc/72/09/60/394720960.db2.gz IPBBBWZWOJVYLB-CQSZACIVSA-N 1 0 276.380 2.225 20 10 CECDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000120671222 394781790 /nfs/dbraw/zinc/78/17/90/394781790.db2.gz UYVQKPFRJRYYCI-CQSZACIVSA-N 1 0 286.416 2.095 20 10 CECDRO O=C(N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1)C1CCC1 ZINC000360670544 394805771 /nfs/dbraw/zinc/80/57/71/394805771.db2.gz IIZWPQNZCNPCEW-CQSZACIVSA-N 1 0 292.354 2.022 20 10 CECDRO COCCn1cc(C[NH2+][C@H](C)c2ccc(C)cc2O)cn1 ZINC000281945973 394883358 /nfs/dbraw/zinc/88/33/58/394883358.db2.gz BTCSVEQMPNECPX-CYBMUJFWSA-N 1 0 289.379 2.394 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)CC[S@@](C)=O)c1O ZINC000125567162 394844034 /nfs/dbraw/zinc/84/40/34/394844034.db2.gz BGCMNPWYVLVSIQ-WYRIXSBYSA-N 1 0 285.409 2.038 20 10 CECDRO c1ncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000133064148 394943991 /nfs/dbraw/zinc/94/39/91/394943991.db2.gz IZAQHXVBXFSCIG-UHFFFAOYSA-N 1 0 289.404 2.270 20 10 CECDRO COc1cc(O)c(C[NH+]2CCCCC2)cc1OC ZINC000138356636 394972743 /nfs/dbraw/zinc/97/27/43/394972743.db2.gz LVUSEBTWBSTGPH-UHFFFAOYSA-N 1 0 251.326 2.395 20 10 CECDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1O ZINC000373216894 395056915 /nfs/dbraw/zinc/05/69/15/395056915.db2.gz OZUWPSOJKGAXGY-CABCVRRESA-N 1 0 288.391 2.191 20 10 CECDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc2c(c1)CCN2C ZINC000373600755 395063473 /nfs/dbraw/zinc/06/34/73/395063473.db2.gz GJOYTEXVEFAPNN-LLVKDONJSA-N 1 0 260.385 2.091 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC12CCC2 ZINC000376470185 395121374 /nfs/dbraw/zinc/12/13/74/395121374.db2.gz ABBZZPNLEWHUDM-CYBMUJFWSA-N 1 0 293.338 2.306 20 10 CECDRO Cc1cccc(C[N@@H+]2CCCC3(C2)OCCO3)c1O ZINC000182079476 395231914 /nfs/dbraw/zinc/23/19/14/395231914.db2.gz HYENYTGMJOVUEM-UHFFFAOYSA-N 1 0 263.337 2.040 20 10 CECDRO CC[NH+](CC)CCCCNC(=O)c1ccc(C)c(O)c1O ZINC000182438046 395242840 /nfs/dbraw/zinc/24/28/40/395242840.db2.gz GDZVLMNUBFVRFO-UHFFFAOYSA-N 1 0 294.395 2.258 20 10 CECDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000188468480 395316262 /nfs/dbraw/zinc/31/62/62/395316262.db2.gz QZSUNYCROYJZSP-VXGBXAGGSA-N 1 0 264.369 2.218 20 10 CECDRO C[C@H](C[NH2+][C@H](C)c1ccccc1O)CN1CCOCC1 ZINC000183522733 395259273 /nfs/dbraw/zinc/25/92/73/395259273.db2.gz PFXKCNJYRUBJLJ-ZIAGYGMSSA-N 1 0 278.396 2.011 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1C ZINC000529676591 395430462 /nfs/dbraw/zinc/43/04/62/395430462.db2.gz KPJUSSOMVMITCG-QEEYODRMSA-N 1 0 293.432 2.494 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000529682983 395431275 /nfs/dbraw/zinc/43/12/75/395431275.db2.gz YITWVFRLXMLRSD-BIENJYKASA-N 1 0 279.405 2.186 20 10 CECDRO COc1ccc(N2CC[NH+](CCSC)CC2)cc1F ZINC000175765905 400288731 /nfs/dbraw/zinc/28/87/31/400288731.db2.gz VKTSDAPIKWTWOF-UHFFFAOYSA-N 1 0 284.400 2.319 20 10 CECDRO COc1cccc(C[NH2+]CCCOC(C)C)c1O ZINC000020198038 171062161 /nfs/dbraw/zinc/06/21/61/171062161.db2.gz ILRXGKHUCPWTSF-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO Fc1cc(C[NH2+]Cc2cc[nH]c2)ccc1N1CCOCC1 ZINC000175698998 419453574 /nfs/dbraw/zinc/45/35/74/419453574.db2.gz RMKRIBOXGYDSOT-UHFFFAOYSA-N 1 0 289.354 2.280 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)CC(=O)NC)cc1 ZINC000298681864 260161745 /nfs/dbraw/zinc/16/17/45/260161745.db2.gz FMGDTWZKPHCROA-CYBMUJFWSA-N 1 0 277.412 2.147 20 10 CECDRO COc1cccc(C[NH2+]Cc2csc(C)n2)c1O ZINC000041010321 260181504 /nfs/dbraw/zinc/18/15/04/260181504.db2.gz UHLHPKHRSQHSKS-UHFFFAOYSA-N 1 0 264.350 2.456 20 10 CECDRO COc1cccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000092047216 260267292 /nfs/dbraw/zinc/26/72/92/260267292.db2.gz PFMSJEOBEZEAHJ-OAHLLOKOSA-N 1 0 290.407 2.461 20 10 CECDRO CC[C@](C)(CO)[NH2+]Cc1cc(Br)ccc1O ZINC000152167896 261060458 /nfs/dbraw/zinc/06/04/58/261060458.db2.gz IYEKZCQERRKQQX-GFCCVEGCSA-N 1 0 288.185 2.405 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C)cc1OC ZINC000160322258 261210814 /nfs/dbraw/zinc/21/08/14/261210814.db2.gz DYJDQJOQFOIDKQ-SNVBAGLBSA-N 1 0 251.326 2.394 20 10 CECDRO COc1cccc(C[NH2+]Cc2ccc(N(C)C)cc2)n1 ZINC000105460649 261359337 /nfs/dbraw/zinc/35/93/37/261359337.db2.gz OCGSLKBPJGGUEO-UHFFFAOYSA-N 1 0 271.364 2.446 20 10 CECDRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000177975006 261373151 /nfs/dbraw/zinc/37/31/51/261373151.db2.gz LTASMXYYHVYKBV-AWEZNQCLSA-N 1 0 289.423 2.243 20 10 CECDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000185220115 262046432 /nfs/dbraw/zinc/04/64/32/262046432.db2.gz NDLZYQDUEIZHKD-GHMZBOCLSA-N 1 0 251.326 2.070 20 10 CECDRO C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(F)ccc1O ZINC000185639576 262063650 /nfs/dbraw/zinc/06/36/50/262063650.db2.gz MEQISNCSZHHUNA-ZANVPECISA-N 1 0 271.357 2.050 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)c(O)c1 ZINC000186540808 262098279 /nfs/dbraw/zinc/09/82/79/262098279.db2.gz ZTOHUEWDQBRXIX-DINDLPBHSA-N 1 0 255.383 2.118 20 10 CECDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000185467669 262305109 /nfs/dbraw/zinc/30/51/09/262305109.db2.gz QNZIWECOGNTLQQ-IUODEOHRSA-N 1 0 267.369 2.139 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c(O)c1C ZINC000276918761 263038604 /nfs/dbraw/zinc/03/86/04/263038604.db2.gz QLXYHMLMZMNMHZ-NEPJUHHUSA-N 1 0 264.369 2.136 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCOCC2)c(O)c1 ZINC000293829000 263150516 /nfs/dbraw/zinc/15/05/16/263150516.db2.gz SHUQZICHBSWBSP-HNNXBMFYSA-N 1 0 292.423 2.382 20 10 CECDRO CCOC[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000188858704 264254470 /nfs/dbraw/zinc/25/44/70/264254470.db2.gz AXHAEENENKLKKJ-GFCCVEGCSA-N 1 0 281.352 2.272 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(N(C)C)cc1 ZINC000294127048 264998189 /nfs/dbraw/zinc/99/81/89/264998189.db2.gz LBKFMNXUYAAMAW-IXDOHACOSA-N 1 0 292.423 2.333 20 10 CECDRO FC(F)Oc1ccc(N2CCC([NH2+]C3COC3)CC2)cc1 ZINC000361202441 266801442 /nfs/dbraw/zinc/80/14/42/266801442.db2.gz HLTABQWCSNEBHR-UHFFFAOYSA-N 1 0 298.333 2.245 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000367668367 267107374 /nfs/dbraw/zinc/10/73/74/267107374.db2.gz HMWYWGOUOLXXLY-AAEUAGOBSA-N 1 0 262.353 2.054 20 10 CECDRO CC[C@@H](c1ccccc1O)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000369930736 267276945 /nfs/dbraw/zinc/27/69/45/267276945.db2.gz OOQCIIUEZZYISJ-AWEZNQCLSA-N 1 0 288.391 2.445 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000371310497 267386332 /nfs/dbraw/zinc/38/63/32/267386332.db2.gz LIQCONOOWRFZQO-GXTWGEPZSA-N 1 0 277.364 2.259 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1O ZINC000371310500 267386812 /nfs/dbraw/zinc/38/68/12/267386812.db2.gz LIQCONOOWRFZQO-TZMCWYRMSA-N 1 0 277.364 2.259 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccccc1O ZINC000276696453 276438566 /nfs/dbraw/zinc/43/85/66/276438566.db2.gz VHQVQCAZWHKUFU-CMPLNLGQSA-N 1 0 260.341 2.323 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN2CCCC2=O)c1 ZINC000037782914 280920845 /nfs/dbraw/zinc/92/08/45/280920845.db2.gz XPBWAIIYNGMFKI-STQMWFEESA-N 1 0 276.380 2.362 20 10 CECDRO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000185028692 327836012 /nfs/dbraw/zinc/83/60/12/327836012.db2.gz JAUQQINCCNMSAX-VXGBXAGGSA-N 1 0 298.814 2.417 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CCCOC2)c1 ZINC000237048921 328004199 /nfs/dbraw/zinc/00/41/99/328004199.db2.gz KBVLOZVEFKSHHJ-GFCCVEGCSA-N 1 0 265.353 2.307 20 10 CECDRO O[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077204687 326923098 /nfs/dbraw/zinc/92/30/98/326923098.db2.gz PTHMOCDONDARFD-LSDHHAIUSA-N 1 0 261.365 2.262 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H](C)CCCO)c1O ZINC000294777111 327563692 /nfs/dbraw/zinc/56/36/92/327563692.db2.gz KRZTUVBABOQEQE-LBPRGKRZSA-N 1 0 267.369 2.289 20 10 CECDRO O=C1OC[C@H]2C[N@H+](Cc3c(O)ccc4ccccc43)CCN12 ZINC000378346351 329046966 /nfs/dbraw/zinc/04/69/66/329046966.db2.gz QGILXLHUHGYEQM-CYBMUJFWSA-N 1 0 298.342 2.182 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)Cn2ccnc2)c1O ZINC000228671113 329059067 /nfs/dbraw/zinc/05/90/67/329059067.db2.gz DSTBXGCVRJVSCV-JTQLQIEISA-N 1 0 295.770 2.429 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]CC12CC(C1)CO2 ZINC000527790710 330283507 /nfs/dbraw/zinc/28/35/07/330283507.db2.gz SYWSMBIKBXRFOZ-UHFFFAOYSA-N 1 0 298.180 2.423 20 10 CECDRO C[C@@H]([NH2+]CC1COC1)c1ccc(Br)cc1O ZINC000528023446 330304739 /nfs/dbraw/zinc/30/47/39/330304739.db2.gz DEAFGBSANFNNGT-MRVPVSSYSA-N 1 0 286.169 2.452 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c1O ZINC000224543383 333222321 /nfs/dbraw/zinc/22/23/21/333222321.db2.gz IYDYLPIRXCNAFK-GJZGRUSLSA-N 1 0 260.381 2.417 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccsc2)c1 ZINC000224858706 333226738 /nfs/dbraw/zinc/22/67/38/333226738.db2.gz MFMNRSGEMFCTTK-CQSZACIVSA-N 1 0 279.361 2.286 20 10 CECDRO CC(C)(C)n1cc(C[NH2+]Cc2ccccc2O)nn1 ZINC000232510646 333337759 /nfs/dbraw/zinc/33/77/59/333337759.db2.gz ZIBMYUOTVXAIPM-UHFFFAOYSA-N 1 0 260.341 2.029 20 10 CECDRO CCOc1cccc(CN2CC[C@H]([NH+]3CCCC3)C2)c1O ZINC000133956570 334074960 /nfs/dbraw/zinc/07/49/60/334074960.db2.gz BPSSFEKBABGTRP-HNNXBMFYSA-N 1 0 290.407 2.461 20 10 CECDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000188502380 520202058 /nfs/dbraw/zinc/20/20/58/520202058.db2.gz BRYGQEDPEXJTRT-QWHCGFSZSA-N 1 0 277.412 2.270 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)cc1 ZINC000278932314 520287981 /nfs/dbraw/zinc/28/79/81/520287981.db2.gz XPWCQUZCXOAYEZ-VBQJREDUSA-N 1 0 292.423 2.333 20 10 CECDRO CC1(C[NH2+]Cc2c(O)cccc2Cl)OCCCO1 ZINC000277129776 520732636 /nfs/dbraw/zinc/73/26/36/520732636.db2.gz CNQGVFCUAMRXIS-UHFFFAOYSA-N 1 0 271.744 2.288 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1 ZINC000292528747 520906119 /nfs/dbraw/zinc/90/61/19/520906119.db2.gz FLUGUVKAWRPKDF-SJORKVTESA-N 1 0 292.423 2.162 20 10 CECDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000280851602 521140729 /nfs/dbraw/zinc/14/07/29/521140729.db2.gz ZOCQNQBXUDUPSD-YPMHNXCESA-N 1 0 293.363 2.222 20 10 CECDRO CCOc1ccc(O)c(CN(C)CC[N@H+](C)C2CC2)c1 ZINC000290373782 521141324 /nfs/dbraw/zinc/14/13/24/521141324.db2.gz HPZCFRCNNDZGAK-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1 ZINC000293001624 521151639 /nfs/dbraw/zinc/15/16/39/521151639.db2.gz NBNXEQPXOYDBPE-MLGOLLRUSA-N 1 0 279.380 2.432 20 10 CECDRO CCC(O)(CC)CC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000276413671 521651591 /nfs/dbraw/zinc/65/15/91/521651591.db2.gz PVGZHZJIZSNQBT-UHFFFAOYSA-N 1 0 297.395 2.440 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(CCC(N)=O)CC2)cc1 ZINC000271221434 522176402 /nfs/dbraw/zinc/17/64/02/522176402.db2.gz ZLVRLPBXKCNNNE-UHFFFAOYSA-N 1 0 289.423 2.230 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000365853013 522180862 /nfs/dbraw/zinc/18/08/62/522180862.db2.gz BUAGJUGAUALBOB-INIZCTEOSA-N 1 0 260.381 2.099 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000278757343 522365954 /nfs/dbraw/zinc/36/59/54/522365954.db2.gz WZOCXDAUIKYBJL-HZPDHXFCSA-N 1 0 278.396 2.036 20 10 CECDRO CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(C)cc1O ZINC000280277970 522625169 /nfs/dbraw/zinc/62/51/69/522625169.db2.gz YGPSQPAXCNQPHK-INWMFGNUSA-N 1 0 279.380 2.281 20 10 CECDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000280019358 522772900 /nfs/dbraw/zinc/77/29/00/522772900.db2.gz TWHAMAWTEITEPW-UHFFFAOYSA-N 1 0 278.396 2.432 20 10 CECDRO CC[C@@H]([NH2+]CCN(C)CCOC)c1ccc(C)cc1O ZINC000280251825 522833591 /nfs/dbraw/zinc/83/35/91/522833591.db2.gz WREKQGVUEOOAST-OAHLLOKOSA-N 1 0 280.412 2.320 20 10 CECDRO CC[C@@H]([NH2+]CCc1cnn(C)c1)c1ccccc1O ZINC000128143419 522845278 /nfs/dbraw/zinc/84/52/78/522845278.db2.gz KJSXDSZYMCUBFO-CQSZACIVSA-N 1 0 259.353 2.409 20 10 CECDRO CC[C@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000087013367 523511330 /nfs/dbraw/zinc/51/13/30/523511330.db2.gz VHUVSCCVBZKAMQ-YGRLFVJLSA-N 1 0 253.342 2.212 20 10 CECDRO CC[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228677156 523646286 /nfs/dbraw/zinc/64/62/86/523646286.db2.gz XOWTYMKPWOQTJC-ZDUSSCGKSA-N 1 0 273.760 2.305 20 10 CECDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000269057623 523899236 /nfs/dbraw/zinc/89/92/36/523899236.db2.gz WYMMUZPULDSVRQ-WDEREUQCSA-N 1 0 254.349 2.405 20 10 CECDRO C[NH+](C)C1(CNC(=O)Cc2ccc(N)cc2)CCCCC1 ZINC000040803309 524035770 /nfs/dbraw/zinc/03/57/70/524035770.db2.gz WLODXOKPUXOPLM-UHFFFAOYSA-N 1 0 289.423 2.192 20 10 CECDRO Cc1cccc(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000280482275 524410423 /nfs/dbraw/zinc/41/04/23/524410423.db2.gz ODGXSGJWSYTYRF-AWEZNQCLSA-N 1 0 291.391 2.471 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)[C@H](C)OC)c1 ZINC000290036107 524766795 /nfs/dbraw/zinc/76/67/95/524766795.db2.gz DEIUVXCYWVSRCT-MXWKQRLJSA-N 1 0 253.342 2.475 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CC(C)(C)OCCO)c1O ZINC000290125747 524869344 /nfs/dbraw/zinc/86/93/44/524869344.db2.gz JEVWJIJKCXIHKD-UHFFFAOYSA-N 1 0 287.787 2.231 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000290154509 525348342 /nfs/dbraw/zinc/34/83/42/525348342.db2.gz PIQOINWGIKQFJM-INIZCTEOSA-N 1 0 271.360 2.394 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000290154516 525350904 /nfs/dbraw/zinc/35/09/04/525350904.db2.gz PIQOINWGIKQFJM-MRXNPFEDSA-N 1 0 271.360 2.394 20 10 CECDRO C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000280912532 525403672 /nfs/dbraw/zinc/40/36/72/525403672.db2.gz QMTOJYQPHBVYFE-NUEKZKHPSA-N 1 0 292.423 2.048 20 10 CECDRO COc1cccc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000280671166 525955356 /nfs/dbraw/zinc/95/53/56/525955356.db2.gz UFRRUVLAUYDFAW-NHYWBVRUSA-N 1 0 277.364 2.400 20 10 CECDRO COc1cccc(C[NH2+]CCCOC[C@@H]2CCCO2)c1O ZINC000020146694 526014512 /nfs/dbraw/zinc/01/45/12/526014512.db2.gz IJRLXLZQPSSXBC-AWEZNQCLSA-N 1 0 295.379 2.076 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CCOc1ccccc1)OCO2 ZINC000042894668 526336705 /nfs/dbraw/zinc/33/67/05/526336705.db2.gz BNLNGMXYDCYHFY-UHFFFAOYSA-N 1 0 287.315 2.290 20 10 CECDRO CCC[N@H+](CC(=O)N(C)CC)Cc1ccccc1O ZINC000727830519 574456895 /nfs/dbraw/zinc/45/68/95/574456895.db2.gz AATYRLRUQFTIKP-UHFFFAOYSA-N 1 0 264.369 2.083 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H](C)Cn1ccnc1C ZINC000729681232 574490707 /nfs/dbraw/zinc/49/07/07/574490707.db2.gz KKHQJVPSAKZPGK-LBPRGKRZSA-N 1 0 289.379 2.332 20 10 CECDRO C[C@@H](CNC(=O)C1=CC(=O)CS1)C[NH+]1CCCCC1 ZINC000731870624 574604577 /nfs/dbraw/zinc/60/45/77/574604577.db2.gz LAOBVFBADVRWIR-NSHDSACASA-N 1 0 282.409 2.306 20 10 CECDRO O=C(NCCC[NH+]1CCCCC1)C1=CC(=O)CS1 ZINC000732258833 574616201 /nfs/dbraw/zinc/61/62/01/574616201.db2.gz XTTKNFHQSCDOCW-UHFFFAOYSA-N 1 0 268.382 2.060 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](OC)C(F)(F)F)c1 ZINC000733329617 574664685 /nfs/dbraw/zinc/66/46/85/574664685.db2.gz HXVBPRWMOIGZGV-GFCCVEGCSA-N 1 0 293.285 2.458 20 10 CECDRO CCNC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613235 574682891 /nfs/dbraw/zinc/68/28/91/574682891.db2.gz GGJYHUCTABGDMB-UHFFFAOYSA-N 1 0 276.380 2.273 20 10 CECDRO O=C(C1=CC(=O)CS1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000733806345 574687276 /nfs/dbraw/zinc/68/72/76/574687276.db2.gz ZGVZHPVXMJWJGG-NSHDSACASA-N 1 0 280.393 2.154 20 10 CECDRO CCN(C)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000741753882 574996309 /nfs/dbraw/zinc/99/63/09/574996309.db2.gz DJZWKKYCFPVYHP-UHFFFAOYSA-N 1 0 262.397 2.347 20 10 CECDRO CC(=O)N1CCC([NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000742217067 575010980 /nfs/dbraw/zinc/01/09/80/575010980.db2.gz GPAXARNVIDNULU-UHFFFAOYSA-N 1 0 276.380 2.110 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCN(C(C)=O)C[C@H]2C)cc1C ZINC000742218426 575010994 /nfs/dbraw/zinc/01/09/94/575010994.db2.gz HOZPOLYMTPGJRK-CJNGLKHVSA-N 1 0 290.407 2.350 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccco2)c(O)c1 ZINC000742375771 575018136 /nfs/dbraw/zinc/01/81/36/575018136.db2.gz VVYPBHATWNOSKE-MRXNPFEDSA-N 1 0 291.347 2.381 20 10 CECDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cccc(OC)c1O ZINC000743499640 575105636 /nfs/dbraw/zinc/10/56/36/575105636.db2.gz LKMNZKXEPWSJTC-WCQYABFASA-N 1 0 267.369 2.288 20 10 CECDRO CCCNC(=O)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000125399784 649903660 /nfs/dbraw/zinc/90/36/60/649903660.db2.gz HTRYKCAMDLMRCZ-UHFFFAOYSA-N 1 0 290.407 2.439 20 10 CECDRO C[C@H](Cc1ccncc1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000749294321 575212854 /nfs/dbraw/zinc/21/28/54/575212854.db2.gz GIZOZBAVDJLIFM-LLVKDONJSA-N 1 0 286.331 2.237 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[NH+](C)C ZINC000750609969 575270328 /nfs/dbraw/zinc/27/03/28/575270328.db2.gz ZACFKQCOWVVIJU-AWEZNQCLSA-N 1 0 291.439 2.440 20 10 CECDRO COC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000751950143 575302456 /nfs/dbraw/zinc/30/24/56/575302456.db2.gz PMLWEMGCAXHVPR-HNNXBMFYSA-N 1 0 261.365 2.492 20 10 CECDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000125469387 649918480 /nfs/dbraw/zinc/91/84/80/649918480.db2.gz KVECOXRJMLBEIF-VVVCHXIZSA-N 1 0 275.801 2.292 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C)nc2C)c1 ZINC000125532452 649936537 /nfs/dbraw/zinc/93/65/37/649936537.db2.gz RQCUOKAARUADGO-LLVKDONJSA-N 1 0 275.352 2.294 20 10 CECDRO COC[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000307790792 623360898 /nfs/dbraw/zinc/36/08/98/623360898.db2.gz VHLMXKJIJQEAAP-LBPRGKRZSA-N 1 0 279.336 2.122 20 10 CECDRO COC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000307790788 623468726 /nfs/dbraw/zinc/46/87/26/623468726.db2.gz VHLMXKJIJQEAAP-GFCCVEGCSA-N 1 0 279.336 2.122 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1O ZINC000090721531 623543956 /nfs/dbraw/zinc/54/39/56/623543956.db2.gz VWYUFMJQRUEVLT-TZMCWYRMSA-N 1 0 278.396 2.363 20 10 CECDRO CC(=O)NCC[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000308194741 623611806 /nfs/dbraw/zinc/61/18/06/623611806.db2.gz QCBADFOUYREDPH-UHFFFAOYSA-N 1 0 272.348 2.113 20 10 CECDRO COc1cccc(C[NH2+]C2(CO)CCCCC2)c1O ZINC000053096118 625668830 /nfs/dbraw/zinc/66/88/30/625668830.db2.gz COMZLJGNXPNAPQ-UHFFFAOYSA-N 1 0 265.353 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C[C@H](NC(=[NH2+])NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000899264623 632762433 /nfs/dbraw/zinc/76/24/33/632762433.db2.gz IUSDJCPFISXVBR-JTQLQIEISA-N 1 0 278.375 2.304 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@](C)(O)C(F)F ZINC000905123402 635827088 /nfs/dbraw/zinc/82/70/88/635827088.db2.gz XLTILLVXUDLBDH-CQSZACIVSA-N 1 0 272.339 2.167 20 10 CECDRO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815018653 632950609 /nfs/dbraw/zinc/95/06/09/632950609.db2.gz WZWOCJKWNAPREH-INIZCTEOSA-N 1 0 289.423 2.162 20 10 CECDRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)ccc1N(C)C ZINC000815089360 632956994 /nfs/dbraw/zinc/95/69/94/632956994.db2.gz DARCBXKLVLQAAC-GJZGRUSLSA-N 1 0 289.423 2.195 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCCO1 ZINC000815104044 632960304 /nfs/dbraw/zinc/96/03/04/632960304.db2.gz XRPCEQSSJAAUCN-WBVHZDCISA-N 1 0 292.423 2.345 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CCOC)[C@@H]2CCOC2)cc1 ZINC000815104523 632960590 /nfs/dbraw/zinc/96/05/90/632960590.db2.gz MTPJBEVTSVPZRL-QGZVFWFLSA-N 1 0 292.423 2.380 20 10 CECDRO NC(=O)C[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000815153182 632973583 /nfs/dbraw/zinc/97/35/83/632973583.db2.gz DHAQQSHJZFUAIX-CQSZACIVSA-N 1 0 270.332 2.099 20 10 CECDRO CN1C[C@H]([NH2+]Cc2ccc3ccccc3c2O)CCC1=O ZINC000816552504 633411396 /nfs/dbraw/zinc/41/13/96/633411396.db2.gz OGSAQVTUPRZHBL-CQSZACIVSA-N 1 0 284.359 2.256 20 10 CECDRO CO[C@@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCOC1 ZINC000816569995 633415186 /nfs/dbraw/zinc/41/51/86/633415186.db2.gz DNUZTIKOFLQDIH-QGZVFWFLSA-N 1 0 287.359 2.441 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H]2COC)c(O)c1 ZINC000816637287 633454357 /nfs/dbraw/zinc/45/43/57/633454357.db2.gz YXEOFIWWKAXDGJ-GFCCVEGCSA-N 1 0 251.326 2.012 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCN(C)C[C@@H]2CC)c1 ZINC000816660344 633458613 /nfs/dbraw/zinc/45/86/13/633458613.db2.gz ACNMUUIQHZTHFT-AWEZNQCLSA-N 1 0 278.396 2.317 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCCC1(O)CCC1 ZINC000817415547 633654725 /nfs/dbraw/zinc/65/47/25/633654725.db2.gz YSUMLFDKGIUAFI-UHFFFAOYSA-N 1 0 253.317 2.316 20 10 CECDRO CON1CCC([NH2+]Cc2cc(Cl)cc(C)c2O)CC1 ZINC000817418805 633655859 /nfs/dbraw/zinc/65/58/59/633655859.db2.gz HHPZXLIPMPVCOO-UHFFFAOYSA-N 1 0 284.787 2.469 20 10 CECDRO C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@H]1CCC[NH2+]1 ZINC000817901732 633762799 /nfs/dbraw/zinc/76/27/99/633762799.db2.gz XTFCRDHAQHBQBF-BXUZGUMPSA-N 1 0 265.376 2.122 20 10 CECDRO Cc1cc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000817944318 633791058 /nfs/dbraw/zinc/79/10/58/633791058.db2.gz ZCLSPZQGXWHMER-WFASDCNBSA-N 1 0 288.395 2.400 20 10 CECDRO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)C1 ZINC000817943276 633791410 /nfs/dbraw/zinc/79/14/10/633791410.db2.gz TWELOXKFWTWTJZ-UAGQMJEPSA-N 1 0 291.439 2.300 20 10 CECDRO C[NH2+]CCN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817954389 633798535 /nfs/dbraw/zinc/79/85/35/633798535.db2.gz YSZDRVYUPNUNBC-LBPRGKRZSA-N 1 0 297.830 2.047 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817971048 633814239 /nfs/dbraw/zinc/81/42/39/633814239.db2.gz JPAGBSNVOMMBRB-ZDMBXUJBSA-N 1 0 270.323 2.319 20 10 CECDRO C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817973455 633816972 /nfs/dbraw/zinc/81/69/72/633816972.db2.gz UCMPBEUIHOOPHI-RNFRBKRXSA-N 1 0 291.164 2.292 20 10 CECDRO CC[NH2+][C@H](C)CN[C@@H](C)c1cc(OC)ccc1O ZINC000817973996 633817047 /nfs/dbraw/zinc/81/70/47/633817047.db2.gz XGVHWUDWQPNBNU-MNOVXSKESA-N 1 0 252.358 2.049 20 10 CECDRO CC[NH2+][C@H](C)CN[C@H](C)c1cc(OC)ccc1O ZINC000817973994 633817371 /nfs/dbraw/zinc/81/73/71/633817371.db2.gz XGVHWUDWQPNBNU-GHMZBOCLSA-N 1 0 252.358 2.049 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817976666 633820097 /nfs/dbraw/zinc/82/00/97/633820097.db2.gz QOSZZRAIAVOCKI-YGRLFVJLSA-N 1 0 291.351 2.093 20 10 CECDRO CC[C@H](NC[C@H]1C[NH2+]CCCO1)c1ccc(N(C)C)cc1 ZINC000817982291 633824295 /nfs/dbraw/zinc/82/42/95/633824295.db2.gz QXLHDEFFUUCOAF-SJORKVTESA-N 1 0 291.439 2.172 20 10 CECDRO Cc1cc(C(=O)N(C)CC[NH3+])c(C)n1-c1cccc(C)c1 ZINC000818010652 633834420 /nfs/dbraw/zinc/83/44/20/633834420.db2.gz QKVJQHGPMOZXJK-UHFFFAOYSA-N 1 0 285.391 2.433 20 10 CECDRO COC[C@H](C)[NH2+]C[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818116074 633872651 /nfs/dbraw/zinc/87/26/51/633872651.db2.gz GGDODXCIWWKDJX-UONOGXRCSA-N 1 0 278.396 2.146 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2cncn2C(C)C)c1 ZINC000818187660 633879889 /nfs/dbraw/zinc/87/98/89/633879889.db2.gz PQCPUHLCRIZXMG-UHFFFAOYSA-N 1 0 275.352 2.468 20 10 CECDRO O[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000818230940 633890423 /nfs/dbraw/zinc/89/04/23/633890423.db2.gz JUPKXDQJZSTVAQ-HZPDHXFCSA-N 1 0 260.381 2.290 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCCCS(C)(=O)=O)c(O)c1 ZINC000818350665 633915531 /nfs/dbraw/zinc/91/55/31/633915531.db2.gz MNWCUZNZLLMAHI-ZDUSSCGKSA-N 1 0 299.436 2.484 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)C[NH3+] ZINC000818608333 633958542 /nfs/dbraw/zinc/95/85/42/633958542.db2.gz ZZWURORMDOPJAO-ZDUSSCGKSA-N 1 0 277.412 2.084 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CC(F)(F)F)cc1 ZINC000818941362 634011748 /nfs/dbraw/zinc/01/17/48/634011748.db2.gz IFXYZLLHALTIQZ-GFCCVEGCSA-N 1 0 276.302 2.156 20 10 CECDRO CC[C@H](O)C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000819376758 634161792 /nfs/dbraw/zinc/16/17/92/634161792.db2.gz IUELXBBVTYSHHS-BBRMVZONSA-N 1 0 264.413 2.353 20 10 CECDRO CCCOc1ccccc1NC[C@H](O)C[N@H+](C)C1CC1 ZINC000819399251 634169474 /nfs/dbraw/zinc/16/94/74/634169474.db2.gz SEHSQTSQTUUAAQ-AWEZNQCLSA-N 1 0 278.396 2.342 20 10 CECDRO Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503316 634932478 /nfs/dbraw/zinc/93/24/78/634932478.db2.gz FZNRMVZEHACNOK-CYBMUJFWSA-N 1 0 292.770 2.474 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C)c2c1c(F)ccc2O ZINC000903317401 635064236 /nfs/dbraw/zinc/06/42/36/635064236.db2.gz KGGHHEVWHDIFNG-FOGDFJRCSA-N 1 0 264.344 2.373 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H]3COC[C@H]3C)CC2)cc1 ZINC000903394370 635090257 /nfs/dbraw/zinc/09/02/57/635090257.db2.gz AYNUBICSGGMUIH-CXAGYDPISA-N 1 0 290.407 2.289 20 10 CECDRO Fc1cnccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000823752471 635272461 /nfs/dbraw/zinc/27/24/61/635272461.db2.gz GMTSQFAAGLGDTG-UHFFFAOYSA-N 1 0 258.296 2.445 20 10 CECDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(OC)ccc2O)CCO1 ZINC000823871924 635297812 /nfs/dbraw/zinc/29/78/12/635297812.db2.gz RPICZBHKWONUSS-STQMWFEESA-N 1 0 265.353 2.448 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)CCO1 ZINC000823871921 635298003 /nfs/dbraw/zinc/29/80/03/635298003.db2.gz RPICZBHKWONUSS-CHWSQXEVSA-N 1 0 265.353 2.448 20 10 CECDRO CN(Cc1cccs1)c1ccc(C[NH2+]CCO)cc1 ZINC000824081199 635342364 /nfs/dbraw/zinc/34/23/64/635342364.db2.gz TXNRRJRTNBNSSF-UHFFFAOYSA-N 1 0 276.405 2.466 20 10 CECDRO CN(C)c1ccc(CNCc2cc(N)cc[nH+]2)cc1F ZINC000903950015 635382287 /nfs/dbraw/zinc/38/22/87/635382287.db2.gz HEPVCPGNOWZGSR-UHFFFAOYSA-N 1 0 274.343 2.159 20 10 CECDRO COc1cccc(C[NH2+]Cc2cc(C3CC3)nn2C)c1O ZINC000824382630 635416436 /nfs/dbraw/zinc/41/64/36/635416436.db2.gz FTBRNURWCSHSII-UHFFFAOYSA-N 1 0 287.363 2.302 20 10 CECDRO Cc1cc(O)c(C[N@@H+](CC(N)=O)CC(C)C)cc1Cl ZINC000824575524 635455252 /nfs/dbraw/zinc/45/52/52/635455252.db2.gz HKULXPXVOMHWQX-UHFFFAOYSA-N 1 0 284.787 2.297 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C1(CF)CCOCC1 ZINC000824690638 635477769 /nfs/dbraw/zinc/47/77/69/635477769.db2.gz JYIUCEZTNWHRNF-UHFFFAOYSA-N 1 0 257.280 2.140 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2OC)c1 ZINC000824709460 635483436 /nfs/dbraw/zinc/48/34/36/635483436.db2.gz QIWKLTSJDAZDOW-OZVIIMIRSA-N 1 0 295.379 2.103 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000824845565 635510563 /nfs/dbraw/zinc/51/05/63/635510563.db2.gz MEFKMEALFXPVGP-RDJZCZTQSA-N 1 0 291.391 2.288 20 10 CECDRO CNC(=O)CCC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000824883164 635518006 /nfs/dbraw/zinc/51/80/06/635518006.db2.gz GYBAWFSPYRBOBK-UHFFFAOYSA-N 1 0 284.787 2.312 20 10 CECDRO CCOCc1cc(C[NH2+]CCC2(CO)CC2)ccc1OC ZINC000825040430 635546585 /nfs/dbraw/zinc/54/65/85/635546585.db2.gz KCZYDWXXFBAFDR-UHFFFAOYSA-N 1 0 293.407 2.484 20 10 CECDRO CCOc1ccc(C[NH2+]CC2(CC)COC2)c(O)c1 ZINC000825072126 635559539 /nfs/dbraw/zinc/55/95/39/635559539.db2.gz ARIPUTPRZIBLHO-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCCNC2=O)cc1Cl ZINC000825096798 635565529 /nfs/dbraw/zinc/56/55/29/635565529.db2.gz JIHOSOUBNGPDBI-GFCCVEGCSA-N 1 0 282.771 2.112 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H](C)[C@@H](OC)C2CC2)cc1OC ZINC000825099085 635567388 /nfs/dbraw/zinc/56/73/88/635567388.db2.gz UKZKLCOWMGNQOW-MGPLVRAMSA-N 1 0 295.379 2.313 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000825124773 635573822 /nfs/dbraw/zinc/57/38/22/635573822.db2.gz XTYFQZDLKPTZBW-YPMHNXCESA-N 1 0 289.297 2.446 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCC[S@@](C)=O)cc1Cl ZINC000825298366 635607633 /nfs/dbraw/zinc/60/76/33/635607633.db2.gz ZDUZUVZMYLSNKH-QGZVFWFLSA-N 1 0 275.801 2.212 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1C[NH3+] ZINC000904412407 635619966 /nfs/dbraw/zinc/61/99/66/635619966.db2.gz VISJPLGYSKDOIO-MNOVXSKESA-N 1 0 268.788 2.462 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@]2(CCO)CCOC2)cc1Cl ZINC000825341564 635621675 /nfs/dbraw/zinc/62/16/75/635621675.db2.gz OFYVMYIHNQZOMV-HNNXBMFYSA-N 1 0 299.798 2.233 20 10 CECDRO Cc1cc(O)c(C[N@H+](CCO)C2CCOCC2)cc1Cl ZINC000825629065 635680534 /nfs/dbraw/zinc/68/05/34/635680534.db2.gz QPOWKTFEHJBIIG-UHFFFAOYSA-N 1 0 299.798 2.327 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000825942565 635736870 /nfs/dbraw/zinc/73/68/70/635736870.db2.gz CWTVZOOOCNSROC-HOTGVXAUSA-N 1 0 289.423 2.099 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)C[C@@H](C)[NH3+])cc1 ZINC000826019910 635747572 /nfs/dbraw/zinc/74/75/72/635747572.db2.gz NFGCJHCRMPEANN-CYBMUJFWSA-N 1 0 277.412 2.229 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000826139749 635765603 /nfs/dbraw/zinc/76/56/03/635765603.db2.gz MQKVNIZXOKVZJQ-XXILOJSOSA-N 1 0 283.755 2.333 20 10 CECDRO CCOc1cccc(C[NH+]2CC(CCOC)C2)c1O ZINC000826898998 635875512 /nfs/dbraw/zinc/87/55/12/635875512.db2.gz CKPQMTWVCXAPOJ-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(F)ccc1O)C2 ZINC000827017616 636190602 /nfs/dbraw/zinc/19/06/02/636190602.db2.gz GJOBHHXUXTUZNS-GASCZTMLSA-N 1 0 265.328 2.390 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@H+](C)CC2CN(C)C2)cc1 ZINC000827126295 636226123 /nfs/dbraw/zinc/22/61/23/636226123.db2.gz YUTLIQSUMQIPAC-WAYWQWQTSA-N 1 0 273.424 2.259 20 10 CECDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@H]1COCCO1 ZINC000827141433 636233841 /nfs/dbraw/zinc/23/38/41/636233841.db2.gz SZTJYHOLZPJRGT-HNNXBMFYSA-N 1 0 287.359 2.393 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000827165398 636243129 /nfs/dbraw/zinc/24/31/29/636243129.db2.gz YBMOOEAUAXSLLK-RISCZKNCSA-N 1 0 297.420 2.010 20 10 CECDRO Cc1cc(O)c(C[N@H+](CCOCCO)C2CCC2)cc1C ZINC000827210555 636257446 /nfs/dbraw/zinc/25/74/46/636257446.db2.gz OSITYMLMVQEVJZ-UHFFFAOYSA-N 1 0 293.407 2.372 20 10 CECDRO Cc1cc(N(C)C)nc(NCc2cc(F)cc(F)c2O)[nH+]1 ZINC000905412831 636263528 /nfs/dbraw/zinc/26/35/28/636263528.db2.gz JNHBGBBGGJTGGB-UHFFFAOYSA-N 1 0 294.305 2.447 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2COCCO2)cc1 ZINC000827336118 636297827 /nfs/dbraw/zinc/29/78/27/636297827.db2.gz AIHMRCBCNLCMRU-KRWDZBQOSA-N 1 0 292.423 2.380 20 10 CECDRO Cc1cccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c1O ZINC000827554582 636351880 /nfs/dbraw/zinc/35/18/80/636351880.db2.gz GURDUQYJYSEFMW-CYBMUJFWSA-N 1 0 290.407 2.437 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)C2(CO)CC2)c(Cl)c1 ZINC000827898342 636455494 /nfs/dbraw/zinc/45/54/94/636455494.db2.gz LSJNVWDHPZNQHB-UHFFFAOYSA-N 1 0 255.745 2.311 20 10 CECDRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1ccccc1O ZINC000827946298 636466220 /nfs/dbraw/zinc/46/62/20/636466220.db2.gz CUVZPNGCSHACFB-RISCZKNCSA-N 1 0 274.364 2.196 20 10 CECDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(N(C)C)cc1C ZINC000829764727 636924770 /nfs/dbraw/zinc/92/47/70/636924770.db2.gz VLIFOHZOSVAAQF-INIZCTEOSA-N 1 0 277.412 2.195 20 10 CECDRO C[C@@H]([NH3+])CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597660 637107569 /nfs/dbraw/zinc/10/75/69/637107569.db2.gz SHMWCWGAGGDBMB-LLVKDONJSA-N 1 0 276.380 2.015 20 10 CECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000841091001 637754427 /nfs/dbraw/zinc/75/44/27/637754427.db2.gz RZGGEJRKNXGPDI-UHFFFAOYSA-N 1 0 272.751 2.416 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876636940 650369772 /nfs/dbraw/zinc/36/97/72/650369772.db2.gz NQXNHBGWVVZJRG-CQSZACIVSA-N 1 0 274.408 2.490 20 10 CECDRO O=C(NCCC[NH2+][C@@H]1CCc2cccc(O)c21)C1CCC1 ZINC000834675652 637915228 /nfs/dbraw/zinc/91/52/28/637915228.db2.gz KNQHITIKHIUZRB-CQSZACIVSA-N 1 0 288.391 2.276 20 10 CECDRO OCC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000834766371 637943975 /nfs/dbraw/zinc/94/39/75/637943975.db2.gz SVAOQUHTYRCTQC-CABCVRRESA-N 1 0 291.391 2.147 20 10 CECDRO OCC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCOCC1 ZINC000834766374 637944161 /nfs/dbraw/zinc/94/41/61/637944161.db2.gz SVAOQUHTYRCTQC-GJZGRUSLSA-N 1 0 291.391 2.147 20 10 CECDRO NC(=O)Cc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)cc1 ZINC000834803065 637955710 /nfs/dbraw/zinc/95/57/10/637955710.db2.gz JKNNHKRELKSTIH-OAHLLOKOSA-N 1 0 296.370 2.197 20 10 CECDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000834901988 637982568 /nfs/dbraw/zinc/98/25/68/637982568.db2.gz YQWXJJDNTQSMNE-RYUDHWBXSA-N 1 0 264.369 2.184 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000834906294 637983613 /nfs/dbraw/zinc/98/36/13/637983613.db2.gz CYJHRXIDHROQQF-WCABBAIRSA-N 1 0 282.771 2.350 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000834906876 637983887 /nfs/dbraw/zinc/98/38/87/637983887.db2.gz IRMJHVOAVOLQAY-LZWOXQAQSA-N 1 0 289.423 2.447 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N(C)CC)cc1)C(=O)NC ZINC000834913053 637985814 /nfs/dbraw/zinc/98/58/14/637985814.db2.gz OESIEUYTTBTVGD-IUODEOHRSA-N 1 0 277.412 2.318 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)CC)cc1)C(=O)NC ZINC000834913057 637987144 /nfs/dbraw/zinc/98/71/44/637987144.db2.gz OESIEUYTTBTVGD-SWLSCSKDSA-N 1 0 277.412 2.318 20 10 CECDRO CNC(=O)[C@@H](C)C[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835027941 638030618 /nfs/dbraw/zinc/03/06/18/638030618.db2.gz FJVGKZOXCUJNRZ-AFNCTOJWSA-N 1 0 289.423 2.080 20 10 CECDRO CNC(=O)CCC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835029702 638030937 /nfs/dbraw/zinc/03/09/37/638030937.db2.gz WGOSTMUGTCVHDN-ALCCZGGFSA-N 1 0 289.423 2.224 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CCN(C)C2)cc1 ZINC000835036140 638033176 /nfs/dbraw/zinc/03/31/76/638033176.db2.gz ACVDPIFMSALRJI-FOSCPCJNSA-N 1 0 259.397 2.060 20 10 CECDRO CCc1nncn1CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835040102 638033787 /nfs/dbraw/zinc/03/37/87/638033787.db2.gz OCKXCFYUXZESFL-WAYWQWQTSA-N 1 0 299.422 2.210 20 10 CECDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835050632 638039836 /nfs/dbraw/zinc/03/98/36/638039836.db2.gz QQEULYGWFKFGEF-WSXGPOFGSA-N 1 0 260.381 2.221 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c(O)c1 ZINC000876679059 650395785 /nfs/dbraw/zinc/39/57/85/650395785.db2.gz BDBMAIKSDPIDGI-AWEZNQCLSA-N 1 0 277.364 2.286 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)c(O)c1 ZINC000876680297 650396639 /nfs/dbraw/zinc/39/66/39/650396639.db2.gz ZFAXEFMKAYNDEM-AWEZNQCLSA-N 1 0 277.364 2.428 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000876762685 650423679 /nfs/dbraw/zinc/42/36/79/650423679.db2.gz JPDGQZFODPKCCK-GFCCVEGCSA-N 1 0 275.270 2.200 20 10 CECDRO O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCNc2ccccc21 ZINC000876851728 650459086 /nfs/dbraw/zinc/45/90/86/650459086.db2.gz NZTVOTFADRPGOR-GWJCSSMESA-N 1 0 271.364 2.001 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)c1 ZINC000044684594 639353069 /nfs/dbraw/zinc/35/30/69/639353069.db2.gz KKJKXXVIDBPJAT-VXGBXAGGSA-N 1 0 276.380 2.288 20 10 CECDRO CNC(=O)CC1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000164441417 639375420 /nfs/dbraw/zinc/37/54/20/639375420.db2.gz SJGWPIIZCIHQER-UHFFFAOYSA-N 1 0 290.407 2.357 20 10 CECDRO CNC(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000226584401 639554876 /nfs/dbraw/zinc/55/48/76/639554876.db2.gz BLXVXZLKHKGZPF-UHFFFAOYSA-N 1 0 288.322 2.181 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000226610544 639555673 /nfs/dbraw/zinc/55/56/73/639555673.db2.gz IJVDEINIRJSCSD-CYBMUJFWSA-N 1 0 267.325 2.416 20 10 CECDRO Cc1cc(O)c(C[NH2+]Cc2cnn(C)c2)c(Cl)c1 ZINC000840884432 639572742 /nfs/dbraw/zinc/57/27/42/639572742.db2.gz MHIFIGADKUGCQF-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+][C@H](C)CCO ZINC000840894098 639574928 /nfs/dbraw/zinc/57/49/28/639574928.db2.gz PBLFFNIXLSUARV-ZIAGYGMSSA-N 1 0 264.413 2.353 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCOC[C@@H]2CCOC2)c(Cl)c1 ZINC000840898963 639576605 /nfs/dbraw/zinc/57/66/05/639576605.db2.gz YTIBSQZSDJZAEW-GFCCVEGCSA-N 1 0 299.798 2.497 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@]2(O)CCSC2)c(Cl)c1 ZINC000840902671 639578732 /nfs/dbraw/zinc/57/87/32/639578732.db2.gz SADOVVVEWREFLT-CYBMUJFWSA-N 1 0 287.812 2.312 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN2CCC2)c(Cl)c1 ZINC000840906762 639579546 /nfs/dbraw/zinc/57/95/46/639579546.db2.gz IDFNKWJTBLZAGG-UHFFFAOYSA-N 1 0 254.761 2.149 20 10 CECDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000168829693 639586407 /nfs/dbraw/zinc/58/64/07/639586407.db2.gz AJWOOUTWBJPOIL-MNOVXSKESA-N 1 0 272.348 2.460 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCC(=O)NC1CC1 ZINC000840929432 639588942 /nfs/dbraw/zinc/58/89/42/639588942.db2.gz DEMQXPNIXFNJAX-UHFFFAOYSA-N 1 0 289.423 2.209 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC(=O)N(C(C)C)C1 ZINC000840934160 639591269 /nfs/dbraw/zinc/59/12/69/639591269.db2.gz MXRCVXYPQFVLKO-HNNXBMFYSA-N 1 0 289.423 2.160 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1cn[nH]c1 ZINC000840946488 639597966 /nfs/dbraw/zinc/59/79/66/639597966.db2.gz LHOZKXUXINIXMS-UHFFFAOYSA-N 1 0 258.369 2.116 20 10 CECDRO CCOc1cccc(C[NH2+]CC2CCC(O)CC2)c1O ZINC000227639659 639599532 /nfs/dbraw/zinc/59/95/32/639599532.db2.gz VBMQNCZBQPFSJJ-UHFFFAOYSA-N 1 0 279.380 2.432 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1O ZINC000840963883 639602487 /nfs/dbraw/zinc/60/24/87/639602487.db2.gz RIQQJUNWWFLXEN-BXUZGUMPSA-N 1 0 299.798 2.231 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@H](O)C(C)C ZINC000840968280 639605076 /nfs/dbraw/zinc/60/50/76/639605076.db2.gz QDMIIMHZICAVIO-UKRRQHHQSA-N 1 0 267.369 2.286 20 10 CECDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000840978546 639607605 /nfs/dbraw/zinc/60/76/05/639607605.db2.gz OIMYYEWHCWHKJV-MNOVXSKESA-N 1 0 253.317 2.124 20 10 CECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000840975148 639607615 /nfs/dbraw/zinc/60/76/15/639607615.db2.gz LUWBPGZDKQIHFF-INIZCTEOSA-N 1 0 277.364 2.476 20 10 CECDRO COC(=O)[C@@H]1CSCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000840979009 639608605 /nfs/dbraw/zinc/60/86/05/639608605.db2.gz YONLCFNJGBCJAM-ZDUSSCGKSA-N 1 0 295.404 2.039 20 10 CECDRO COc1ccc2c(c1)CCN2C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841003101 639614171 /nfs/dbraw/zinc/61/41/71/639614171.db2.gz NKLCPRWZXTVCEW-QWHCGFSZSA-N 1 0 260.381 2.446 20 10 CECDRO CCOCc1cc(CN[C@H](C[NH3+])C2CC2)ccc1OC ZINC000841027501 639620509 /nfs/dbraw/zinc/62/05/09/639620509.db2.gz CKJWPYAOIXKFOT-OAHLLOKOSA-N 1 0 278.396 2.059 20 10 CECDRO COc1cc(Cl)cc(CNC[C@H]2CCCC[NH2+]2)c1O ZINC000841033381 639625271 /nfs/dbraw/zinc/62/52/71/639625271.db2.gz SKCFCNYLJAQWLA-GFCCVEGCSA-N 1 0 284.787 2.286 20 10 CECDRO COC(=O)c1cc(C[NH2+]CCc2ccc(N)cc2)oc1C ZINC000841034622 639626998 /nfs/dbraw/zinc/62/69/98/639626998.db2.gz IKSZYUNNVBTDLJ-UHFFFAOYSA-N 1 0 288.347 2.289 20 10 CECDRO CCC[NH2+]CCNCc1c(O)cc(C)cc1Cl ZINC000841046579 639631136 /nfs/dbraw/zinc/63/11/36/639631136.db2.gz IBXNMRCLMPLLMV-UHFFFAOYSA-N 1 0 256.777 2.443 20 10 CECDRO CN(C)c1ccc(/C=C/CNC[C@H]([NH3+])C2CC2)cc1 ZINC000841051623 639633305 /nfs/dbraw/zinc/63/33/05/639633305.db2.gz SVVAYTBAEWVNOF-CWDCEQMOSA-N 1 0 259.397 2.093 20 10 CECDRO [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000841058061 639635548 /nfs/dbraw/zinc/63/55/48/639635548.db2.gz OTOMSOCHUOZMON-QWRGUYRKSA-N 1 0 254.761 2.405 20 10 CECDRO [NH3+]CC[C@H](NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000841090912 639653971 /nfs/dbraw/zinc/65/39/71/639653971.db2.gz QKIUYNLWBYGHJL-JTQLQIEISA-N 1 0 282.693 2.415 20 10 CECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000841094357 639655707 /nfs/dbraw/zinc/65/57/07/639655707.db2.gz XDTDDMNVZUMCHA-UHFFFAOYSA-N 1 0 272.751 2.416 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105464 639679502 /nfs/dbraw/zinc/67/95/02/639679502.db2.gz PALZZXVJDFNHIU-CQSZACIVSA-N 1 0 266.772 2.374 20 10 CECDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841296502 639730743 /nfs/dbraw/zinc/73/07/43/639730743.db2.gz UGRLXWLNWBVYDT-CQSZACIVSA-N 1 0 276.384 2.073 20 10 CECDRO CCOc1cccc(C[NH2+]CC[C@@H]2CCOC2)c1O ZINC000230163907 639744548 /nfs/dbraw/zinc/74/45/48/639744548.db2.gz LIYIPCKHHNMTAI-GFCCVEGCSA-N 1 0 265.353 2.307 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000230668689 639778704 /nfs/dbraw/zinc/77/87/04/639778704.db2.gz FYWQKBVDQNHOKH-ZBFHGGJFSA-N 1 0 262.397 2.393 20 10 CECDRO CCN(CCC[NH+](CC)CC)C(=O)c1cccc(O)c1O ZINC000230717426 639782695 /nfs/dbraw/zinc/78/26/95/639782695.db2.gz KZKIIBWXUDBXOF-UHFFFAOYSA-N 1 0 294.395 2.292 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccn(C)n2)c1 ZINC000230898148 639805219 /nfs/dbraw/zinc/80/52/19/639805219.db2.gz KEXYDCDAUNAOLL-LLVKDONJSA-N 1 0 275.352 2.028 20 10 CECDRO CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(N(C)C)cc1 ZINC000841654083 639823809 /nfs/dbraw/zinc/82/38/09/639823809.db2.gz MQRVWRFDMWFMTQ-CQSZACIVSA-N 1 0 292.427 2.069 20 10 CECDRO C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(Cl)cc1O ZINC000841745741 639856302 /nfs/dbraw/zinc/85/63/02/639856302.db2.gz ACAPMDFTYQNGHX-RYUDHWBXSA-N 1 0 298.814 2.417 20 10 CECDRO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(Cl)cc1O ZINC000841752065 639858623 /nfs/dbraw/zinc/85/86/23/639858623.db2.gz FOYSZFOEELTGMT-QMTHXVAHSA-N 1 0 299.798 2.484 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC[NH3+] ZINC000841928821 639907182 /nfs/dbraw/zinc/90/71/82/639907182.db2.gz CCAKRQBYTWZCSE-UHFFFAOYSA-N 1 0 292.427 2.021 20 10 CECDRO [NH3+]C[C@@H](NC(=O)NCc1ccccc1O)C1CCCCC1 ZINC000841940739 639908825 /nfs/dbraw/zinc/90/88/25/639908825.db2.gz TVSZRCOARMDBLB-CQSZACIVSA-N 1 0 291.395 2.099 20 10 CECDRO CCC[NH2+]CCNC(=O)N(CCC)Cc1ccccc1O ZINC000841965087 639912326 /nfs/dbraw/zinc/91/23/26/639912326.db2.gz NSCIMQYXMWVCSS-UHFFFAOYSA-N 1 0 293.411 2.313 20 10 CECDRO C[C@H](CCCC[NH3+])NC(=O)N(C)Cc1ccccc1O ZINC000841993559 639916796 /nfs/dbraw/zinc/91/67/96/639916796.db2.gz FUZXGAJOYAGAOQ-GFCCVEGCSA-N 1 0 279.384 2.051 20 10 CECDRO Cc1ccc(C[NH2+]CC2(C(=O)N(C)C)CCCC2)c(O)c1 ZINC000877029791 650538273 /nfs/dbraw/zinc/53/82/73/650538273.db2.gz NKBVICOXKWNFOP-UHFFFAOYSA-N 1 0 290.407 2.439 20 10 CECDRO CN(Cc1ccccc1O)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000842007275 639917965 /nfs/dbraw/zinc/91/79/65/639917965.db2.gz XTKHETVFMJSJSE-CQSZACIVSA-N 1 0 291.395 2.066 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000842009208 639918295 /nfs/dbraw/zinc/91/82/95/639918295.db2.gz ZZNPWXAJSPIGBB-VXGBXAGGSA-N 1 0 279.384 2.050 20 10 CECDRO Cc1ccc(C[NH2+]CCS(=O)(=O)C(C)(C)C)c(O)c1 ZINC000877036861 650542130 /nfs/dbraw/zinc/54/21/30/650542130.db2.gz TXBLDMQQQMCMQU-UHFFFAOYSA-N 1 0 285.409 2.004 20 10 CECDRO CSC[C@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877051772 650548874 /nfs/dbraw/zinc/54/88/74/650548874.db2.gz NLGMNWZYZXASPJ-ZDUSSCGKSA-N 1 0 294.464 2.489 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC000842473355 640072609 /nfs/dbraw/zinc/07/26/09/640072609.db2.gz YSQJOHFJTJBGTO-YGRLFVJLSA-N 1 0 294.782 2.042 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000089151218 640108286 /nfs/dbraw/zinc/10/82/86/640108286.db2.gz WFOCHFXQIDJKAJ-SKDRFNHKSA-N 1 0 255.745 2.296 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(O)cc1C ZINC000842627234 640124711 /nfs/dbraw/zinc/12/47/11/640124711.db2.gz UNKWOAPALWCQIZ-DOMZBBRYSA-N 1 0 277.364 2.320 20 10 CECDRO CC[N@H+](CCSC)Cc1cc2c(cc1O)OC[C@H]2O ZINC000842647537 640133877 /nfs/dbraw/zinc/13/38/77/640133877.db2.gz ZOBGZBABPGVJCX-CYBMUJFWSA-N 1 0 283.393 2.003 20 10 CECDRO CC(C)(C[NH2+]Cc1c(O)cccc1Cl)[C@]1(O)CCOC1 ZINC000842758600 640172650 /nfs/dbraw/zinc/17/26/50/640172650.db2.gz MUIQZAOMSWYQHC-HNNXBMFYSA-N 1 0 299.798 2.313 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CCS[C@H]1C ZINC000842779916 640180925 /nfs/dbraw/zinc/18/09/25/640180925.db2.gz SUPGQCLCSWXSHT-ONGXEEELSA-N 1 0 253.367 2.384 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCc2ncn(C)n2)c(O)c1 ZINC000842904949 640216956 /nfs/dbraw/zinc/21/69/56/640216956.db2.gz WZSMQTMJOWRPGM-CYBMUJFWSA-N 1 0 288.395 2.421 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000842913309 640220341 /nfs/dbraw/zinc/22/03/41/640220341.db2.gz ZHLNGEOQCZQKJO-IHXVIFPJSA-N 1 0 281.327 2.083 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000842911883 640220350 /nfs/dbraw/zinc/22/03/50/640220350.db2.gz OCJPZGZVZCVYSX-OASPWFOLSA-N 1 0 285.771 2.418 20 10 CECDRO CCOc1ccc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c(O)c1 ZINC000843045864 640251109 /nfs/dbraw/zinc/25/11/09/640251109.db2.gz LHTNHQJKIBBPQM-IUODEOHRSA-N 1 0 278.396 2.493 20 10 CECDRO C[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)[C@H]1C[NH3+] ZINC000843051090 640255073 /nfs/dbraw/zinc/25/50/73/640255073.db2.gz DZLMRASTASBHQQ-WBMJQRKESA-N 1 0 279.403 2.451 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CC[C@H]1[NH3+] ZINC000843052744 640256189 /nfs/dbraw/zinc/25/61/89/640256189.db2.gz SHKFXQWVRZXZSE-ZWNOBZJWSA-N 1 0 252.333 2.091 20 10 CECDRO C[C@H]1[NH2+]CCN(Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000843056961 640260114 /nfs/dbraw/zinc/26/01/14/640260114.db2.gz DHSDGMYJKUTSHS-NEPJUHHUSA-N 1 0 265.376 2.074 20 10 CECDRO CN(C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccc(N)cc1 ZINC000877079199 650563050 /nfs/dbraw/zinc/56/30/50/650563050.db2.gz UXWWIXBQPMNWOX-DFBGVHRSSA-N 1 0 273.380 2.152 20 10 CECDRO Oc1c(F)cccc1CN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000843120485 640289132 /nfs/dbraw/zinc/28/91/32/640289132.db2.gz MXOVOWBQHYWQLE-OAHLLOKOSA-N 1 0 287.338 2.073 20 10 CECDRO [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843124366 640291293 /nfs/dbraw/zinc/29/12/93/640291293.db2.gz ZGVHCKXPCILRPE-HNNXBMFYSA-N 1 0 264.344 2.107 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC[NH2+]C[C@H]1C(F)F ZINC000843124930 640291313 /nfs/dbraw/zinc/29/13/13/640291313.db2.gz QARHSWVYWUCPIF-JTQLQIEISA-N 1 0 276.714 2.085 20 10 CECDRO CCCc1nc(CN2CCCc3cc(C[NH3+])ccc32)no1 ZINC000843350770 640399855 /nfs/dbraw/zinc/39/98/55/640399855.db2.gz YNAQLDDLJHWQFC-UHFFFAOYSA-N 1 0 286.379 2.434 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2C[NH3+])c1O ZINC000843352084 640400542 /nfs/dbraw/zinc/40/05/42/640400542.db2.gz DFOTWMHLWGLOAW-GFCCVEGCSA-N 1 0 282.771 2.171 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@@H]1C1CCC1)OCO2 ZINC000843428715 640427721 /nfs/dbraw/zinc/42/77/21/640427721.db2.gz MBMAJWJQMABOPQ-CYBMUJFWSA-N 1 0 291.347 2.122 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000844186647 640626557 /nfs/dbraw/zinc/62/65/57/640626557.db2.gz MGOXMMIYTQOJIP-BLLLJJGKSA-N 1 0 289.423 2.065 20 10 CECDRO Cc1cc(C)c(O)c(C[NH+]2CCN(C(=O)C(C)C)CC2)c1 ZINC000915834459 640632497 /nfs/dbraw/zinc/63/24/97/640632497.db2.gz KPPSFAFMLQVYQW-UHFFFAOYSA-N 1 0 290.407 2.309 20 10 CECDRO Cc1cc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)c(C)n1-c1ccccn1 ZINC000877175406 650610877 /nfs/dbraw/zinc/61/08/77/650610877.db2.gz JNFDBKXHJUSZEO-BXUZGUMPSA-N 1 0 298.390 2.051 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1O ZINC000846074162 641175057 /nfs/dbraw/zinc/17/50/57/641175057.db2.gz VWWYEMVHNMTFSA-SWLSCSKDSA-N 1 0 288.391 2.444 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H](CO)CCF)cc1 ZINC000846095535 641179564 /nfs/dbraw/zinc/17/95/64/641179564.db2.gz AZCJWYMMSXNCJD-RDFMZFSFSA-N 1 0 266.360 2.076 20 10 CECDRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1ccccc1O ZINC000846108095 641184482 /nfs/dbraw/zinc/18/44/82/641184482.db2.gz NPHXQRLHHWLFMW-CQSZACIVSA-N 1 0 284.359 2.258 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O)c1O ZINC000846145135 641200277 /nfs/dbraw/zinc/20/02/77/641200277.db2.gz MYINUAQMRMBVGF-SRVKXCTJSA-N 1 0 267.369 2.458 20 10 CECDRO COCC[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846144288 641200621 /nfs/dbraw/zinc/20/06/21/641200621.db2.gz IPPPLULGTUWTKN-WDEREUQCSA-N 1 0 253.342 2.476 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC(=O)NC2CCCC2)c1O ZINC000846150268 641203485 /nfs/dbraw/zinc/20/34/85/641203485.db2.gz COXFQHXPYCZPTG-NSHDSACASA-N 1 0 292.379 2.110 20 10 CECDRO CC[C@H](O)CC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846151510 641204891 /nfs/dbraw/zinc/20/48/91/641204891.db2.gz ZFYBBUYDDBJJDX-QWRGUYRKSA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1O ZINC000846155308 641206068 /nfs/dbraw/zinc/20/60/68/641206068.db2.gz POAVJCKMXBKUEY-NEPJUHHUSA-N 1 0 292.379 2.061 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCc2ccnn2C)c1O ZINC000846161715 641208074 /nfs/dbraw/zinc/20/80/74/641208074.db2.gz BNISUCXSGWIZHY-LLVKDONJSA-N 1 0 275.352 2.028 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)c1O ZINC000846162240 641208637 /nfs/dbraw/zinc/20/86/37/641208637.db2.gz CGFOPBWEZALINY-NEPJUHHUSA-N 1 0 287.363 2.263 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCn3ccnc32)c1O ZINC000846168504 641210569 /nfs/dbraw/zinc/21/05/69/641210569.db2.gz AEWDQBWZPYVFHV-ZYHUDNBSSA-N 1 0 273.336 2.393 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)[C@H](C)OC)c1O ZINC000846168457 641210646 /nfs/dbraw/zinc/21/06/46/641210646.db2.gz CWNGTJZJWXWUBK-VWYCJHECSA-N 1 0 253.342 2.475 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H](C)CCO)c1O ZINC000846169661 641210684 /nfs/dbraw/zinc/21/06/84/641210684.db2.gz JLHFLOGIMWUNEF-VXGBXAGGSA-N 1 0 267.369 2.460 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCc2cn(C)cn2)c1O ZINC000846169749 641211854 /nfs/dbraw/zinc/21/18/54/641211854.db2.gz SNYJHPNKZSXDIF-NSHDSACASA-N 1 0 275.352 2.028 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1O ZINC000846188684 641217490 /nfs/dbraw/zinc/21/74/90/641217490.db2.gz IJBRXKUBDVZMAD-YGNMPJRFSA-N 1 0 263.337 2.371 20 10 CECDRO C[C@H]([NH2+][C@@H](CO)CCF)c1ccc(Cl)cc1O ZINC000846209986 641222798 /nfs/dbraw/zinc/22/27/98/641222798.db2.gz VEPJRASIVAFROI-WCBMZHEXSA-N 1 0 261.724 2.417 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CCF)c(O)c1C ZINC000846209338 641223158 /nfs/dbraw/zinc/22/31/58/641223158.db2.gz QJEANJRWWPHIRQ-RYUDHWBXSA-N 1 0 255.333 2.380 20 10 CECDRO C[NH+](C)C1CCN(Cc2cc(F)ccc2O)CC1 ZINC000179937905 641395286 /nfs/dbraw/zinc/39/52/86/641395286.db2.gz VORXWQGAUZPJSV-UHFFFAOYSA-N 1 0 252.333 2.057 20 10 CECDRO CCC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)CCO1 ZINC000180318778 641447455 /nfs/dbraw/zinc/44/74/55/641447455.db2.gz DOYDBFMORKZNPE-CQSZACIVSA-N 1 0 265.353 2.402 20 10 CECDRO CCOc1cccc(C[NH2+][C@](C)(CC)CO)c1O ZINC000070940158 641710674 /nfs/dbraw/zinc/71/06/74/641710674.db2.gz GPVNVLVDBPOVQZ-CQSZACIVSA-N 1 0 253.342 2.042 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC2(CO)CCCC2)c1 ZINC000185806523 642031305 /nfs/dbraw/zinc/03/13/05/642031305.db2.gz YPZXEZMXPLVLPW-UHFFFAOYSA-N 1 0 279.380 2.433 20 10 CECDRO COCC1(C[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000848560958 642053119 /nfs/dbraw/zinc/05/31/19/642053119.db2.gz NOIZXAWCRCAIGJ-LLVKDONJSA-N 1 0 265.353 2.478 20 10 CECDRO COc1c(N)ncnc1NCc1ccc(N(C)C)cc1C ZINC000848665579 642094026 /nfs/dbraw/zinc/09/40/26/642094026.db2.gz DYSFVEMCLQCTDM-UHFFFAOYSA-N 1 0 287.367 2.054 20 10 CECDRO CCc1cccc(C[NH+]2CCC3(CC2)OCCO3)c1O ZINC000848880783 642168300 /nfs/dbraw/zinc/16/83/00/642168300.db2.gz JUBJTXZJJPFGHT-UHFFFAOYSA-N 1 0 277.364 2.294 20 10 CECDRO CCc1cccc(C[NH2+]CCCOC[C@@H]2CCOC2)c1O ZINC000848896909 642177226 /nfs/dbraw/zinc/17/72/26/642177226.db2.gz KQOGZEAUGJVMEQ-AWEZNQCLSA-N 1 0 293.407 2.487 20 10 CECDRO CCNC(=O)C(C)(C)C[NH2+]Cc1cccc(CC)c1O ZINC000848899617 642179268 /nfs/dbraw/zinc/17/92/68/642179268.db2.gz QRIOFYGJYLTMNJ-UHFFFAOYSA-N 1 0 278.396 2.207 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(CC)c2O)[C@@H]1OC ZINC000848902701 642180701 /nfs/dbraw/zinc/18/07/01/642180701.db2.gz GQBZKOOHNTWVHN-LZWOXQAQSA-N 1 0 279.380 2.237 20 10 CECDRO Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)c(O)c1 ZINC000877465846 650731766 /nfs/dbraw/zinc/73/17/66/650731766.db2.gz YXJQBXWBQUOSMN-GJZGRUSLSA-N 1 0 289.375 2.271 20 10 CECDRO CCN(CC)c1ccc(CNC2=[NH+]CCCN2C)cc1F ZINC000849006237 642222925 /nfs/dbraw/zinc/22/29/25/642222925.db2.gz MBVYOTCYIFGBIH-UHFFFAOYSA-N 1 0 292.402 2.453 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000877477108 650739889 /nfs/dbraw/zinc/73/98/89/650739889.db2.gz XPELACDCQXLEEH-UHFFFAOYSA-N 1 0 298.390 2.249 20 10 CECDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1CCNC(=O)CC1 ZINC000877478242 650740468 /nfs/dbraw/zinc/74/04/68/650740468.db2.gz LIAURCSMBREQBA-HNNXBMFYSA-N 1 0 275.396 2.030 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c(O)c1 ZINC000877480793 650741677 /nfs/dbraw/zinc/74/16/77/650741677.db2.gz HZKONQUKEOLPHA-CQSZACIVSA-N 1 0 297.420 2.100 20 10 CECDRO Cc1cccc(O)c1C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000877486893 650745358 /nfs/dbraw/zinc/74/53/58/650745358.db2.gz SUSWHCQPCRTBKQ-AWEZNQCLSA-N 1 0 291.391 2.471 20 10 CECDRO COc1cc(C[NH2+][C@@H](C)CO)c(O)c(C(C)(C)C)c1 ZINC000850161199 642599571 /nfs/dbraw/zinc/59/95/71/642599571.db2.gz CYXGMLKZGXNLMD-JTQLQIEISA-N 1 0 267.369 2.169 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3c[nH]nc3C)C2)cc1 ZINC000850345598 642674013 /nfs/dbraw/zinc/67/40/13/642674013.db2.gz FSWBFRIHEMNTDC-AWEZNQCLSA-N 1 0 286.379 2.095 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3[nH]ncc3C)C2)cc1 ZINC000850345973 642675325 /nfs/dbraw/zinc/67/53/25/642675325.db2.gz AXNSWBPKTWTNGZ-CYBMUJFWSA-N 1 0 286.379 2.095 20 10 CECDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000850356129 642679705 /nfs/dbraw/zinc/67/97/05/642679705.db2.gz NKIYFLVIUAACNS-SIFCLUCFSA-N 1 0 293.432 2.401 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1 ZINC000850388376 642695795 /nfs/dbraw/zinc/69/57/95/642695795.db2.gz LWLJQVQDBWDURA-GJZGRUSLSA-N 1 0 277.364 2.184 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1F ZINC000850389458 642696877 /nfs/dbraw/zinc/69/68/77/642696877.db2.gz XLYLINCOEYVARD-CABCVRRESA-N 1 0 278.371 2.285 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H](CO)CC2CC2)cc1F ZINC000850389404 642696901 /nfs/dbraw/zinc/69/69/01/642696901.db2.gz WNWAPGNHSBHJOR-CQSZACIVSA-N 1 0 280.387 2.390 20 10 CECDRO CON(C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000850478676 642726032 /nfs/dbraw/zinc/72/60/32/642726032.db2.gz WMLYFHSUNBHPCN-GFCCVEGCSA-N 1 0 252.358 2.153 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cc2c(cc1O)CCCC2 ZINC000850546337 642748465 /nfs/dbraw/zinc/74/84/65/642748465.db2.gz IFWNDSAACBVJJD-FZMZJTMJSA-N 1 0 288.391 2.200 20 10 CECDRO COCC[C@@H](C)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850566147 642753624 /nfs/dbraw/zinc/75/36/24/642753624.db2.gz KBFAAHCFJIINBE-CQSZACIVSA-N 1 0 292.423 2.162 20 10 CECDRO OCC1(CC[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922161774 642925369 /nfs/dbraw/zinc/92/53/69/642925369.db2.gz GYKLYMUOULHWPV-UHFFFAOYSA-N 1 0 261.365 2.264 20 10 CECDRO Cc1cncc(CC[NH2+]Cc2ccc3c(c2)CCCO3)n1 ZINC000922249250 642979648 /nfs/dbraw/zinc/97/96/48/642979648.db2.gz HLKXKIVKVIENIK-UHFFFAOYSA-N 1 0 283.375 2.442 20 10 CECDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877591550 650804168 /nfs/dbraw/zinc/80/41/68/650804168.db2.gz FSQFAUDJUUFDOO-INIZCTEOSA-N 1 0 277.364 2.476 20 10 CECDRO C[C@@H]([NH2+]Cc1c2c(nn1C)CCC2)c1ccccc1O ZINC000922329257 643030241 /nfs/dbraw/zinc/03/02/41/643030241.db2.gz MPNLVZXWFOVPFC-LLVKDONJSA-N 1 0 271.364 2.465 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H]2CCN(C)[C@H]2C)ccc1OC ZINC000922556353 643125742 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Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(O)c1 ZINC000877657047 650836658 /nfs/dbraw/zinc/83/66/58/650836658.db2.gz GEZPGCKIAVBFFK-BIENJYKASA-N 1 0 279.405 2.186 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]Cc2ncc[nH]2)c1O ZINC000877673805 650844458 /nfs/dbraw/zinc/84/44/58/650844458.db2.gz RYVPTDAEGIDVBC-UHFFFAOYSA-N 1 0 251.717 2.367 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCN2C2CCOCC2)c1 ZINC000922950630 643476007 /nfs/dbraw/zinc/47/60/07/643476007.db2.gz OAIHJYNHLXMQPR-MRXNPFEDSA-N 1 0 290.407 2.044 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1OC ZINC000877683322 650848060 /nfs/dbraw/zinc/84/80/60/650848060.db2.gz WEQTYNYDNALXQX-JFGNBEQYSA-N 1 0 281.352 2.065 20 10 CECDRO OC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1C(F)(F)F ZINC000877693961 650855038 /nfs/dbraw/zinc/85/50/38/650855038.db2.gz WBAKXSLTXPFPEH-GXSJLCMTSA-N 1 0 293.260 2.134 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCOCCF)c(Cl)c1 ZINC000853091725 643648946 /nfs/dbraw/zinc/64/89/46/643648946.db2.gz OFKTZYJDXMGLOM-UHFFFAOYSA-N 1 0 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CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)cc1 ZINC000788270935 648168401 /nfs/dbraw/zinc/16/84/01/648168401.db2.gz XHBFETXFRURZQS-CZUORRHYSA-N 1 0 262.397 2.488 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@@]2(C)CO)c1O ZINC000789557811 648317254 /nfs/dbraw/zinc/31/72/54/648317254.db2.gz NVLRQIJWXSEADP-HNNXBMFYSA-N 1 0 265.353 2.138 20 10 CECDRO Cc1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)nc1 ZINC000789589302 648320730 /nfs/dbraw/zinc/32/07/30/648320730.db2.gz KTPUCTDJMVHNJJ-UHFFFAOYSA-N 1 0 286.331 2.456 20 10 CECDRO COc1cc(C[N@H+](C)Cc2cnn(C)c2C)c(O)cc1C ZINC000790431233 648416361 /nfs/dbraw/zinc/41/63/61/648416361.db2.gz SXPTYYSEXQJYAI-UHFFFAOYSA-N 1 0 289.379 2.383 20 10 CECDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccc(O)c1O ZINC000790668900 648439810 /nfs/dbraw/zinc/43/98/10/648439810.db2.gz OSBZCCDLPRHDPP-VXGBXAGGSA-N 1 0 292.379 2.091 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(=O)N(C)C ZINC000790743648 648443939 /nfs/dbraw/zinc/44/39/39/648443939.db2.gz YHBUYEVPZBZECC-ATZCPNFKSA-N 1 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ZINC000873052188 649544831 /nfs/dbraw/zinc/54/48/31/649544831.db2.gz SBPOVSIDOZUCGD-MRXNPFEDSA-N 1 0 281.396 2.271 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H]2CCCN(C)C2=O)cc1C ZINC000873071101 649550997 /nfs/dbraw/zinc/55/09/97/649550997.db2.gz JEWNUYPNBRVLQO-HNNXBMFYSA-N 1 0 290.407 2.494 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@]2(O)CCOC2)cc1C ZINC000873097564 649558087 /nfs/dbraw/zinc/55/80/87/649558087.db2.gz CJLRLNUYMAJAHI-MRXNPFEDSA-N 1 0 279.380 2.025 20 10 CECDRO CCOc1ccc(C[NH2+]CCC[C@@H]2CCOC2=O)c(O)c1 ZINC000873161633 649575529 /nfs/dbraw/zinc/57/55/29/649575529.db2.gz AMTWVUMAHWGPJK-GFCCVEGCSA-N 1 0 293.363 2.224 20 10 CECDRO Oc1ccc(Br)cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873215900 649593390 /nfs/dbraw/zinc/59/33/90/649593390.db2.gz GPIDEOCWJKYGIX-TXEJJXNPSA-N 1 0 297.196 2.091 20 10 CECDRO C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000873228858 649599189 /nfs/dbraw/zinc/59/91/89/649599189.db2.gz JVHLZKAEWCSXJA-SMDDNHRTSA-N 1 0 266.772 2.087 20 10 CECDRO CCOc1ccc(O)c(CN[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873229915 649601095 /nfs/dbraw/zinc/60/10/95/649601095.db2.gz IVGLSJRFOSLHPC-JKSUJKDBSA-N 1 0 276.380 2.165 20 10 CECDRO [NH3+]CCN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000020238818 649746034 /nfs/dbraw/zinc/74/60/34/649746034.db2.gz LCQANJQGJQTQDT-UHFFFAOYSA-N 1 0 290.388 2.485 20 10 CECDRO C[C@@H]([NH2+]CCC(=O)N1CCC[C@H]1C)c1ccccc1O ZINC000879648370 651335002 /nfs/dbraw/zinc/33/50/02/651335002.db2.gz LRBDUODBTUNGSJ-CHWSQXEVSA-N 1 0 276.380 2.444 20 10 CECDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1ccccc1O ZINC000879648103 651335008 /nfs/dbraw/zinc/33/50/08/651335008.db2.gz YMUBGQLQYIXVEP-CHWSQXEVSA-N 1 0 276.380 2.301 20 10 CECDRO Cc1nnc(C[NH2+][C@H](C)c2ccccc2O)n1C1CC1 ZINC000879648957 651335186 /nfs/dbraw/zinc/33/51/86/651335186.db2.gz HHNIHFBKVJDNMM-SNVBAGLBSA-N 1 0 272.352 2.478 20 10 CECDRO C[C@H]([NH2+]CC(=O)NC1CCCCC1)c1ccccc1O ZINC000879651925 651336101 /nfs/dbraw/zinc/33/61/01/651336101.db2.gz PKWXUYWRRIPHTF-LBPRGKRZSA-N 1 0 276.380 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274.343 2.159 20 10 CECDRO C[C@@H]([NH2+]C[C@H](C)O)c1ccc(N2CCOCC2)cc1Cl ZINC000131145027 652386334 /nfs/dbraw/zinc/38/63/34/652386334.db2.gz MCAAHHGIKMRZHN-NWDGAFQWSA-N 1 0 298.814 2.208 20 10 CECDRO C[NH2+]C[C@H]1CCCN1Cc1cc(Cl)ccc1O ZINC000133024086 652586488 /nfs/dbraw/zinc/58/64/88/652586488.db2.gz MPGDRGUTAABVCN-GFCCVEGCSA-N 1 0 254.761 2.229 20 10 CECDRO C[NH2+]C[C@H]1CCCN1Cc1c(O)cccc1Cl ZINC000133027160 652586531 /nfs/dbraw/zinc/58/65/31/652586531.db2.gz YWMFUAICMHMNGK-SNVBAGLBSA-N 1 0 254.761 2.229 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000134653127 652868382 /nfs/dbraw/zinc/86/83/82/652868382.db2.gz KCAPLWBNGNSAGG-NSHDSACASA-N 1 0 264.369 2.093 20 10 CECDRO CCOC(=O)CC[N@H+](C)Cc1ccc(Cl)cc1O ZINC001140466983 802958779 /nfs/dbraw/zinc/95/87/79/802958779.db2.gz OSLKXBGWDMAOSX-UHFFFAOYSA-N 1 0 271.744 2.431 20 10 CECDRO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccccc1O ZINC000724348304 803088479 /nfs/dbraw/zinc/08/84/79/803088479.db2.gz ZTWIEYJCBRQHBZ-ODWCKFRGSA-N 1 0 295.404 2.151 20 10 CECDRO Cc1cccc(CNc2ncc(C)c(C3C[NH2+]C3)n2)c1O ZINC001160771219 814231605 /nfs/dbraw/zinc/23/16/05/814231605.db2.gz OMMKZLDDMZBFPD-UHFFFAOYSA-N 1 0 284.363 2.098 20 10 CECDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000724873380 803328435 /nfs/dbraw/zinc/32/84/35/803328435.db2.gz PHPOSPFCSHUDPI-NJZAAPMLSA-N 1 0 265.353 2.155 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)c1O ZINC000693905631 803404899 /nfs/dbraw/zinc/40/48/99/803404899.db2.gz IKGNGZOKCVKNFL-CYBMUJFWSA-N 1 0 278.396 2.363 20 10 CECDRO CCN1CC[C@@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000712597704 814756521 /nfs/dbraw/zinc/75/65/21/814756521.db2.gz ZYEUWIGBXLWVBD-SNVBAGLBSA-N 1 0 299.212 2.339 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c1O ZINC000724814773 803495416 /nfs/dbraw/zinc/49/54/16/803495416.db2.gz UVCFCKGWDAEKKX-TZMCWYRMSA-N 1 0 277.364 2.402 20 10 CECDRO CC[C@H]([NH2+]CC[C@H](COC)OC)c1ccccc1O ZINC000694313412 803530029 /nfs/dbraw/zinc/53/00/29/803530029.db2.gz UYEHGLVEJVXINH-OCCSQVGLSA-N 1 0 267.369 2.484 20 10 CECDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1=O ZINC000722344735 804327753 /nfs/dbraw/zinc/32/77/53/804327753.db2.gz CXZBUSSCMZOZGW-AAEUAGOBSA-N 1 0 262.353 2.054 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@@H](OC)CC[C@H]2C)c1O ZINC000687219729 804423942 /nfs/dbraw/zinc/42/39/42/804423942.db2.gz TYBUKEIDALPBGA-YPMHNXCESA-N 1 0 265.353 2.400 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@H](CO)CC(F)F)cc1F ZINC001118859494 815050183 /nfs/dbraw/zinc/05/01/83/815050183.db2.gz JQRCGDJIOHOJQU-VIFPVBQESA-N 1 0 294.292 2.137 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)c1 ZINC000696063719 807131538 /nfs/dbraw/zinc/13/15/38/807131538.db2.gz PDHNDDBKTYQRIL-GHMZBOCLSA-N 1 0 265.353 2.212 20 10 CECDRO CC(C)(C(=O)N1Cc2cccc(O)c2C1)[NH+]1CCCCC1 ZINC000913726462 807518713 /nfs/dbraw/zinc/51/87/13/807518713.db2.gz POTBIVBYCXNTBG-UHFFFAOYSA-N 1 0 288.391 2.499 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)[C@@H](OC)C2CC2)c1O ZINC000388240162 807590689 /nfs/dbraw/zinc/59/06/89/807590689.db2.gz QJRJWVJHONMUFP-ZUZCIYMTSA-N 1 0 265.353 2.304 20 10 CECDRO O=C1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CN1CC1CC1 ZINC000716779469 815146911 /nfs/dbraw/zinc/14/69/11/815146911.db2.gz BLOLPOUYOZABLV-LLVKDONJSA-N 1 0 294.782 2.146 20 10 CECDRO CCOCCOCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001119683483 815149314 /nfs/dbraw/zinc/14/93/14/815149314.db2.gz QTRMBWOKPYYGES-UHFFFAOYSA-N 1 0 292.423 2.430 20 10 CECDRO CN1CC[C@@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272618081 807820174 /nfs/dbraw/zinc/82/01/74/807820174.db2.gz AVQFWWLOFRMNBD-QGZVFWFLSA-N 1 0 288.391 2.227 20 10 CECDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccccc2O)cc1 ZINC000188981656 808109338 /nfs/dbraw/zinc/10/93/38/808109338.db2.gz AFAFBAYZJZPMHJ-INIZCTEOSA-N 1 0 271.360 2.394 20 10 CECDRO CCCNC(=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000083552093 808564092 /nfs/dbraw/zinc/56/40/92/808564092.db2.gz UNNKYPXGYZMOHE-UHFFFAOYSA-N 1 0 270.760 2.052 20 10 CECDRO Oc1ccccc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001203558703 808737115 /nfs/dbraw/zinc/73/71/15/808737115.db2.gz WZOZKHBEYGLIJM-HNNXBMFYSA-N 1 0 270.332 2.441 20 10 CECDRO COC[C@@H](CC[NH2+][C@H](C)c1cc(C)ccc1O)OC ZINC000694308448 809281671 /nfs/dbraw/zinc/28/16/71/809281671.db2.gz HTZMDIZDVLUYKO-CHWSQXEVSA-N 1 0 267.369 2.403 20 10 CECDRO CCN1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C)cc2)CC1=O ZINC001172045697 815278467 /nfs/dbraw/zinc/27/84/67/815278467.db2.gz AWRBSBOIWSCKFW-MRXNPFEDSA-N 1 0 289.423 2.195 20 10 CECDRO Cc1cnc(CN2CCCc3cc(C[NH3+])ccc32)cn1 ZINC000700833511 809358944 /nfs/dbraw/zinc/35/89/44/809358944.db2.gz WMDYYSQAWMMOKK-UHFFFAOYSA-N 1 0 268.364 2.197 20 10 CECDRO Cc1nnsc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000700850687 809363940 /nfs/dbraw/zinc/36/39/40/809363940.db2.gz MAPXOHSHKYTBTF-UHFFFAOYSA-N 1 0 274.393 2.258 20 10 CECDRO CC[C@H](O)CC[NH2+]Cc1ccc(Br)cc1O ZINC000701016888 809378977 /nfs/dbraw/zinc/37/89/77/809378977.db2.gz ZYSINOSQJIPYSP-NSHDSACASA-N 1 0 288.185 2.405 20 10 CECDRO C[NH+](C)C1CC(NCc2c(O)cccc2Cl)C1 ZINC000701478664 809434406 /nfs/dbraw/zinc/43/44/06/809434406.db2.gz MRZASHQJCFMHIL-UHFFFAOYSA-N 1 0 254.761 2.228 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCOCCF)c1 ZINC000705761630 809789581 /nfs/dbraw/zinc/78/95/81/809789581.db2.gz MBWRQJNCROHNRL-JTQLQIEISA-N 1 0 257.305 2.038 20 10 CECDRO COc1cccc(C[NH2+]C2CCC(C)(O)CC2)c1O ZINC000705812139 809789706 /nfs/dbraw/zinc/78/97/06/809789706.db2.gz GHLTUJJDRQPSCW-UHFFFAOYSA-N 1 0 265.353 2.184 20 10 CECDRO C[C@@H]([NH2+]Cc1c(O)cccc1Br)C(C)(C)O ZINC000706808334 809855616 /nfs/dbraw/zinc/85/56/16/809855616.db2.gz JPJJWQFQPMNLDA-MRVPVSSYSA-N 1 0 288.185 2.404 20 10 CECDRO C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708555270 809945497 /nfs/dbraw/zinc/94/54/97/809945497.db2.gz NKUWDLJEXUMMNO-NSHDSACASA-N 1 0 284.350 2.492 20 10 CECDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000710990979 810009585 /nfs/dbraw/zinc/00/95/85/810009585.db2.gz VIYGBVYPZFPTBW-CJNGLKHVSA-N 1 0 260.381 2.411 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+][C@@H](C)[C@@H](C)O ZINC001118090652 810040558 /nfs/dbraw/zinc/04/05/58/810040558.db2.gz NHPFTURLSGYTCR-MELADBBJSA-N 1 0 264.413 2.351 20 10 CECDRO COc1ccc(N2CC[NH+]([C@H]3COC(C)(C)C3)CC2)cc1 ZINC001172279094 815373651 /nfs/dbraw/zinc/37/36/51/815373651.db2.gz DYYOZBKTHLMDLT-OAHLLOKOSA-N 1 0 290.407 2.385 20 10 CECDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001120262827 810615336 /nfs/dbraw/zinc/61/53/36/810615336.db2.gz FEIVSFVYAFOGGO-HNNXBMFYSA-N 1 0 289.423 2.397 20 10 CECDRO Cc1cc(O)c(CN2CC3(C2)CC[N@@H+](C)C3)cc1Cl ZINC001276372320 810694901 /nfs/dbraw/zinc/69/49/01/810694901.db2.gz PCAXREPJRDNUQB-UHFFFAOYSA-N 1 0 280.799 2.492 20 10 CECDRO CC[NH+](CC)CC[C@@H](C)NC(=O)NCc1ccccc1O ZINC001122445731 815412842 /nfs/dbraw/zinc/41/28/42/815412842.db2.gz YYTIKZKUWBYUTM-CYBMUJFWSA-N 1 0 293.411 2.312 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@H](CNC(C)=O)C2)cc1C ZINC001086289411 811090627 /nfs/dbraw/zinc/09/06/27/811090627.db2.gz RUTOTESIQNFDRY-SHTZXODSSA-N 1 0 276.380 2.008 20 10 CECDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1O ZINC001169432503 811520876 /nfs/dbraw/zinc/52/08/76/811520876.db2.gz MFNKCSZWEIIBSH-LBPRGKRZSA-N 1 0 264.369 2.129 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCCOC1 ZINC000691430142 811659783 /nfs/dbraw/zinc/65/97/83/811659783.db2.gz RSHDWOJUIVWBGV-NSHDSACASA-N 1 0 286.169 2.423 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(C)=O)C2)cc1C ZINC001047655613 811886960 /nfs/dbraw/zinc/88/69/60/811886960.db2.gz AVYBKTVIAWWULQ-CZUORRHYSA-N 1 0 290.407 2.350 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)c1O ZINC000690389841 811971684 /nfs/dbraw/zinc/97/16/84/811971684.db2.gz GLHWCYORRYLBFJ-ZDUSSCGKSA-N 1 0 278.396 2.363 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)Cn2cccn2)c1O ZINC000691512524 811990742 /nfs/dbraw/zinc/99/07/42/811990742.db2.gz MZXKJMYOTOUIJY-GFCCVEGCSA-N 1 0 259.353 2.329 20 10 CECDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CCO1 ZINC001170178955 812325374 /nfs/dbraw/zinc/32/53/74/812325374.db2.gz RVHLZODEAIWGIS-NEPJUHHUSA-N 1 0 251.326 2.145 20 10 CECDRO CO[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(O)c(O)c2)C1 ZINC001172922699 815546167 /nfs/dbraw/zinc/54/61/67/815546167.db2.gz GTKCUURWNLXMJC-CHWSQXEVSA-N 1 0 265.353 2.188 20 10 CECDRO COc1ccc(C[NH2+]CCCNC(=O)C2(C)CC2)cc1C ZINC001158542786 812786624 /nfs/dbraw/zinc/78/66/24/812786624.db2.gz MNORVRHJYZQMPR-UHFFFAOYSA-N 1 0 290.407 2.400 20 10 CECDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)[C@@H]2COC[C@@H]21 ZINC000384788468 813123367 /nfs/dbraw/zinc/12/33/67/813123367.db2.gz SMHCHNNGXODNFM-QWHCGFSZSA-N 1 0 265.328 2.388 20 10 CECDRO C[C@H]([NH2+]CCN1CC=CCC1)c1cc(F)ccc1O ZINC000392256323 813299663 /nfs/dbraw/zinc/29/96/63/813299663.db2.gz YOROFFZPRRLWNB-LBPRGKRZSA-N 1 0 264.344 2.444 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](COCC3CC3)C2)c(O)c1 ZINC001144515340 814100390 /nfs/dbraw/zinc/10/03/90/814100390.db2.gz KKLQFFKFLLFDQG-GFCCVEGCSA-N 1 0 293.363 2.052 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](CO)C(C)C)c1O ZINC000691452704 814595195 /nfs/dbraw/zinc/59/51/95/814595195.db2.gz MHCZXOHIUZNZFL-AWEZNQCLSA-N 1 0 251.370 2.309 20 10 CECDRO Oc1ccc(C[NH2+][C@H]2CCc3ncsc3C2)c(O)c1 ZINC001173125046 815587934 /nfs/dbraw/zinc/58/79/34/815587934.db2.gz WHEYZDYPJYGZDX-JTQLQIEISA-N 1 0 276.361 2.201 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCN2C)cc1 ZINC000712567650 814767500 /nfs/dbraw/zinc/76/75/00/814767500.db2.gz ZEJCREWOJAJPST-INIZCTEOSA-N 1 0 261.413 2.327 20 10 CECDRO CC[C@H]1CC[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001173269528 815645943 /nfs/dbraw/zinc/64/59/43/815645943.db2.gz WQZNVFWCYCJONN-JQWIXIFHSA-N 1 0 263.337 2.449 20 10 CECDRO [O-]c1c(F)cccc1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001138122726 815730885 /nfs/dbraw/zinc/73/08/85/815730885.db2.gz YLQOTMWTJXWUIK-CQSZACIVSA-N 1 0 271.307 2.218 20 10 CECDRO Cc1c(C[N@H+]2C[C@H](C)[C@H](O)C2)c2ccccc2n1C ZINC001138252910 815754830 /nfs/dbraw/zinc/75/48/30/815754830.db2.gz XMFOAPVGMGYOJZ-MEDUHNTESA-N 1 0 258.365 2.299 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCCC[C@H](O)C3)ccc21 ZINC001138354580 815774120 /nfs/dbraw/zinc/77/41/20/815774120.db2.gz OBXNFXHIDXHUHV-INIZCTEOSA-N 1 0 274.408 2.416 20 10 CECDRO CN1CCCc2cc(CN3CC(C)([NH+](C)C)C3)ccc21 ZINC001138355812 815774234 /nfs/dbraw/zinc/77/42/34/815774234.db2.gz DODHAXSSUZZJJT-UHFFFAOYSA-N 1 0 273.424 2.205 20 10 CECDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354593 815774729 /nfs/dbraw/zinc/77/47/29/815774729.db2.gz OMQDHESODSXLQD-BBRMVZONSA-N 1 0 274.408 2.272 20 10 CECDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC001173636920 815775021 /nfs/dbraw/zinc/77/50/21/815775021.db2.gz PSGAUEIGUVCDQE-DGCLKSJQSA-N 1 0 293.363 2.309 20 10 CECDRO CCC1(C[NH+]2CCN(c3ccc(OC)cc3)CC2)COC1 ZINC001202912649 815994995 /nfs/dbraw/zinc/99/49/95/815994995.db2.gz SKHUILGKVUGQQD-UHFFFAOYSA-N 1 0 290.407 2.244 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1O ZINC001140184689 816205596 /nfs/dbraw/zinc/20/55/96/816205596.db2.gz DXGNNTAEHXMHGR-CQSZACIVSA-N 1 0 286.379 2.438 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)c1O ZINC001140185414 816206833 /nfs/dbraw/zinc/20/68/33/816206833.db2.gz UYUVIAMNVJIJNO-AWEZNQCLSA-N 1 0 288.391 2.206 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CCCC[C@]23CC(=O)N(C)C3)c1 ZINC001140622047 816307292 /nfs/dbraw/zinc/30/72/92/816307292.db2.gz VXMISPGTEGHGHZ-QGZVFWFLSA-N 1 0 288.391 2.287 20 10 CECDRO C[C@H]1CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1F ZINC001140660169 816316282 /nfs/dbraw/zinc/31/62/82/816316282.db2.gz HZRASYMAAXHGKQ-LBPRGKRZSA-N 1 0 264.344 2.257 20 10 CECDRO COCC1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140741689 816337886 /nfs/dbraw/zinc/33/78/86/816337886.db2.gz AOEBAOJUFNRNMX-UHFFFAOYSA-N 1 0 265.353 2.265 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1O ZINC001140742239 816337913 /nfs/dbraw/zinc/33/79/13/816337913.db2.gz KZMQCXRXKJCIPL-SWLSCSKDSA-N 1 0 277.364 2.407 20 10 CECDRO Cc1c(O)ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1O ZINC001140746213 816340377 /nfs/dbraw/zinc/34/03/77/816340377.db2.gz WBFIEDLFMQTTTG-AWEZNQCLSA-N 1 0 276.380 2.076 20 10 CECDRO CCOCC[NH+](CCOCC)Cc1ccc(O)c(C)c1O ZINC001140747696 816341176 /nfs/dbraw/zinc/34/11/76/816341176.db2.gz FUTZHUUICYOIFZ-UHFFFAOYSA-N 1 0 297.395 2.281 20 10 CECDRO COCC[N@H+](Cc1ccc(O)c(C)c1O)C(C)C ZINC001140746059 816341519 /nfs/dbraw/zinc/34/15/19/816341519.db2.gz UEJODUDTUDLKQM-UHFFFAOYSA-N 1 0 253.342 2.263 20 10 CECDRO CCN(CC)c1ccc(C[NH+]2CC(C3COC3)C2)c(O)c1 ZINC001140850099 816382314 /nfs/dbraw/zinc/38/23/14/816382314.db2.gz DFSQHTIHTOOEFA-UHFFFAOYSA-N 1 0 290.407 2.317 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001140854863 816382557 /nfs/dbraw/zinc/38/25/57/816382557.db2.gz DVUHULIGDKQSRT-GJZGRUSLSA-N 1 0 276.380 2.212 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001140948250 816422511 /nfs/dbraw/zinc/42/25/11/816422511.db2.gz ZMSAIISBFNBTLH-NEPJUHHUSA-N 1 0 289.297 2.303 20 10 CECDRO CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC001140951061 816423945 /nfs/dbraw/zinc/42/39/45/816423945.db2.gz WVYUCIFGCHDLTE-ZDUSSCGKSA-N 1 0 263.337 2.228 20 10 CECDRO CC(=O)N1CCC([N@H+](C)Cc2ccc(C)cc2O)CC1 ZINC001140950957 816424101 /nfs/dbraw/zinc/42/41/01/816424101.db2.gz QNYMGLVPBXBFIH-UHFFFAOYSA-N 1 0 276.380 2.143 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(OC)c1 ZINC001141029492 816451272 /nfs/dbraw/zinc/45/12/72/816451272.db2.gz UKTDDKJWRXMIDG-IAQYHMDHSA-N 1 0 293.363 2.020 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC001141160277 816492419 /nfs/dbraw/zinc/49/24/19/816492419.db2.gz VITNUZWTDDSRSD-ZDUSSCGKSA-N 1 0 270.332 2.482 20 10 CECDRO COC[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142508879 816677895 /nfs/dbraw/zinc/67/78/95/816677895.db2.gz OQGXUPRUTWWFKM-VIFPVBQESA-N 1 0 257.280 2.139 20 10 CECDRO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(F)c(F)cc3O)C[C@@H]21 ZINC001142530651 816681374 /nfs/dbraw/zinc/68/13/74/816681374.db2.gz IYKKGBLMWJBRSG-YGRLFVJLSA-N 1 0 282.334 2.196 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC3(C2)OCCO3)cc1F ZINC001178336450 816721273 /nfs/dbraw/zinc/72/12/73/816721273.db2.gz GRNYZHLGMDXOTI-CYBMUJFWSA-N 1 0 294.370 2.277 20 10 CECDRO CCOc1ccc(CN2CCCC[C@@](F)(C[NH3+])C2)c(O)c1 ZINC001206369839 816835771 /nfs/dbraw/zinc/83/57/71/816835771.db2.gz JAAVIICHRNWXSN-MRXNPFEDSA-N 1 0 296.386 2.444 20 10 CECDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000123824483 365641680 /nfs/dbraw/zinc/64/16/80/365641680.db2.gz DEMNDPXRTMELBA-RHSMWYFYSA-N 1 0 292.423 2.191 20 10 CECDRO CCN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592478010 345358982 /nfs/dbraw/zinc/35/89/82/345358982.db2.gz STQQLCIQBJUEQE-ZDUSSCGKSA-N 1 0 298.390 2.386 20 10 CECDRO C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037273384 295929856 /nfs/dbraw/zinc/92/98/56/295929856.db2.gz RQFSOJJWCMUCQC-GJZGRUSLSA-N 1 0 291.439 2.124 20 10 CECDRO C[C@@H](CO)C[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000134914449 366373343 /nfs/dbraw/zinc/37/33/43/366373343.db2.gz 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C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000268877615 372267387 /nfs/dbraw/zinc/26/73/87/372267387.db2.gz KTNWCLICJFPSPF-OLZOCXBDSA-N 1 0 296.386 2.084 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000366449956 373052277 /nfs/dbraw/zinc/05/22/77/373052277.db2.gz FZAVJLWYZCDTCS-RHSMWYFYSA-N 1 0 291.391 2.471 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H]2CCOC[C@@H]21 ZINC000366498137 373073710 /nfs/dbraw/zinc/07/37/10/373073710.db2.gz RFJXWONGZIOFLT-YCPHGPKFSA-N 1 0 277.364 2.333 20 10 CECDRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000271412316 373188728 /nfs/dbraw/zinc/18/87/28/373188728.db2.gz XWQPDLXGVUGSKW-UHFFFAOYSA-N 1 0 295.402 2.096 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC000271412518 373189354 /nfs/dbraw/zinc/18/93/54/373189354.db2.gz XXQROTWGFYMGEH-NOZJJQNGSA-N 1 0 255.745 2.248 20 10 CECDRO COCC1(O)CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000271787106 373199711 /nfs/dbraw/zinc/19/97/11/373199711.db2.gz IOGIJIZJRJNUDS-UHFFFAOYSA-N 1 0 299.798 2.327 20 10 CECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CC1OCCO1 ZINC000272194010 373351417 /nfs/dbraw/zinc/35/14/17/373351417.db2.gz ZSGWJIJTIHGRMM-UHFFFAOYSA-N 1 0 278.396 2.336 20 10 CECDRO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccccc2O)[nH]1 ZINC000272863013 373685926 /nfs/dbraw/zinc/68/59/26/373685926.db2.gz NGUIDJMYMNKTCU-ZJUUUORDSA-N 1 0 260.341 2.485 20 10 CECDRO C[C@H]([NH2+]Cc1nncn1C)c1cc2c(cc1O)CCCC2 ZINC000273368737 373753283 /nfs/dbraw/zinc/75/32/83/373753283.db2.gz FOHIBUOOFPWELT-NSHDSACASA-N 1 0 286.379 2.250 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2O)n1 ZINC000273435106 373757106 /nfs/dbraw/zinc/75/71/06/373757106.db2.gz LXBIPKROQIFQBS-NSHDSACASA-N 1 0 274.368 2.329 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCOCCO)c(O)c1C ZINC000273491297 373759933 /nfs/dbraw/zinc/75/99/33/373759933.db2.gz WQZCEBZEVRKMQH-CYBMUJFWSA-N 1 0 267.369 2.059 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000273552443 373764494 /nfs/dbraw/zinc/76/44/94/373764494.db2.gz GDFJRVAODNKBNY-QMTHXVAHSA-N 1 0 267.369 2.458 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)c1 ZINC000273555691 373765295 /nfs/dbraw/zinc/76/52/95/373765295.db2.gz GXADQPZMGDCAAN-TUAOUCFPSA-N 1 0 295.379 2.236 20 10 CECDRO CC[C@@H](c1ccccc1O)N1CCO[C@@H](CC(=O)OC)C1 ZINC000372568307 374159518 /nfs/dbraw/zinc/15/95/18/374159518.db2.gz HLPFVWWIOBYCES-JSGCOSHPSA-N 1 0 293.363 2.107 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1O ZINC000373807692 374422339 /nfs/dbraw/zinc/42/23/39/374422339.db2.gz WHWSKIAZIGFOFL-HOCLYGCPSA-N 1 0 293.338 2.391 20 10 CECDRO C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)CC[S@@]1=O ZINC000277647684 374593003 /nfs/dbraw/zinc/59/30/03/374593003.db2.gz OBSLSVISSMSDIC-ODXCJYRJSA-N 1 0 298.427 2.235 20 10 CECDRO CC[C@H](C)[N@H+](CC(=O)OC)Cc1cccc(C)c1O ZINC000281315656 375371387 /nfs/dbraw/zinc/37/13/87/375371387.db2.gz QTOKFYSFBPLGSD-LBPRGKRZSA-N 1 0 265.353 2.474 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](CO)CCOC)cc1 ZINC000281552309 375386854 /nfs/dbraw/zinc/38/68/54/375386854.db2.gz JKHHXIMKZVLEJF-HIFRSBDPSA-N 1 0 280.412 2.191 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c(O)c1 ZINC000284859305 375831667 /nfs/dbraw/zinc/83/16/67/375831667.db2.gz AMYBFSDQSZVBGO-LBPRGKRZSA-N 1 0 297.420 2.237 20 10 CECDRO CC[C@@H](N[C@H](C)c1ncn(C)n1)c1ccc(F)cc1O ZINC000287375810 376217960 /nfs/dbraw/zinc/21/79/60/376217960.db2.gz HZGHJHJULFOYJD-BXKDBHETSA-N 1 0 278.331 2.462 20 10 CECDRO COc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000289141840 376389459 /nfs/dbraw/zinc/38/94/59/376389459.db2.gz AITCMVXTHRFBQN-XJKSGUPXSA-N 1 0 290.407 2.459 20 10 CECDRO Cc1cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)ccc1N(C)C ZINC000294024853 377875352 /nfs/dbraw/zinc/87/53/52/377875352.db2.gz HQRGOZRLCSMHDJ-HNNXBMFYSA-N 1 0 262.397 2.264 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000294271859 377962831 /nfs/dbraw/zinc/96/28/31/377962831.db2.gz LVYXNCDASBPNJC-LBPRGKRZSA-N 1 0 264.369 2.138 20 10 CECDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294625468 378001658 /nfs/dbraw/zinc/00/16/58/378001658.db2.gz JJTMHQGWTZBJIM-MRVPVSSYSA-N 1 0 288.750 2.141 20 10 CECDRO CNC(=O)CCC[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295218800 378054278 /nfs/dbraw/zinc/05/42/78/378054278.db2.gz BMMPJVYJPPKMPN-UHFFFAOYSA-N 1 0 288.750 2.143 20 10 CECDRO Nc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000294871351 378025437 /nfs/dbraw/zinc/02/54/37/378025437.db2.gz WQCRZVAJRPSJMP-QOARYFPJSA-N 1 0 273.380 2.361 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCOCC(F)F)CC2 ZINC000296425388 378527292 /nfs/dbraw/zinc/52/72/92/378527292.db2.gz LSHDLWBRFOBDRV-SNVBAGLBSA-N 1 0 257.280 2.251 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1SC ZINC000298229936 378696050 /nfs/dbraw/zinc/69/60/50/378696050.db2.gz BFEQGBFOIFCXHF-BNOWGMLFSA-N 1 0 267.394 2.391 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CC[C@H]1CCCOC1 ZINC000529636683 380181413 /nfs/dbraw/zinc/18/14/13/380181413.db2.gz GSSICWUDIQUCKB-LLVKDONJSA-N 1 0 253.317 2.438 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000227521978 394473420 /nfs/dbraw/zinc/47/34/20/394473420.db2.gz GXHUUAQQXUMHTH-ZDUSSCGKSA-N 1 0 265.353 2.450 20 10 CECDRO COc1cccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1O ZINC000093644614 394668347 /nfs/dbraw/zinc/66/83/47/394668347.db2.gz OMZBXQHDPSCQRE-GXTWGEPZSA-N 1 0 278.396 2.315 20 10 CECDRO CCCc1noc(CN(C)Cc2ccccc2O)n1 ZINC000109769042 394734774 /nfs/dbraw/zinc/73/47/74/394734774.db2.gz FAXGJHLVOBLCBR-UHFFFAOYSA-N 1 0 261.325 2.360 20 10 CECDRO COc1cccc(C[N@H+](C)CCc2ccccn2)c1O ZINC000120822383 394785395 /nfs/dbraw/zinc/78/53/95/394785395.db2.gz MRZIXDIVUIYJRY-UHFFFAOYSA-N 1 0 272.348 2.470 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@](C)(O)C2)c1O ZINC000124254712 394837930 /nfs/dbraw/zinc/83/79/30/394837930.db2.gz VUGQKRYIXDUYPM-HNNXBMFYSA-N 1 0 281.327 2.081 20 10 CECDRO Cc1nn(C)c(C)c1C[NH2+]Cc1cccc(C)c1O ZINC000124788527 394840291 /nfs/dbraw/zinc/84/02/91/394840291.db2.gz NTBNEWKESGNRAF-UHFFFAOYSA-N 1 0 259.353 2.341 20 10 CECDRO CCC[C@H](C(=O)NCc1ccc2c(c1)CCN2C)[NH+](C)C ZINC000364399236 394898112 /nfs/dbraw/zinc/89/81/12/394898112.db2.gz HZMYWIMRXVWTOK-MRXNPFEDSA-N 1 0 289.423 2.025 20 10 CECDRO CCCOc1ccc(C[N@H+](CC)CC(=O)NCC)c(O)c1 ZINC000133624970 394954293 /nfs/dbraw/zinc/95/42/93/394954293.db2.gz WNNZAUTUGLINJF-UHFFFAOYSA-N 1 0 294.395 2.139 20 10 CECDRO CCC[NH+]1CCN(Cc2cccc(OCC)c2O)CC1 ZINC000131697829 394917016 /nfs/dbraw/zinc/91/70/16/394917016.db2.gz ZXEJWJRZCCIGBU-UHFFFAOYSA-N 1 0 278.396 2.319 20 10 CECDRO CCOc1cccc(C[N@H+](C)C[C@@H]2CCCO2)c1O ZINC000132964639 394942271 /nfs/dbraw/zinc/94/22/71/394942271.db2.gz ZQEFJYNVYMFWFS-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO COCC[NH+](CCOC)Cc1c(O)cccc1Cl ZINC000133415767 394951613 /nfs/dbraw/zinc/95/16/13/394951613.db2.gz FHMAMWBGMPSJPK-UHFFFAOYSA-N 1 0 273.760 2.140 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCN(c3nccnc3C)CC2)c1 ZINC000374210046 395076829 /nfs/dbraw/zinc/07/68/29/395076829.db2.gz JRNUFGMMASJDML-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@]2(O)CCSC2)c(O)c1 ZINC000176758315 395142457 /nfs/dbraw/zinc/14/24/57/395142457.db2.gz ZFAWXEVXOKLUIR-OAHLLOKOSA-N 1 0 297.420 2.139 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(N(C)C)cc1 ZINC000294127038 395266925 /nfs/dbraw/zinc/26/69/25/395266925.db2.gz LBKFMNXUYAAMAW-IKGGRYGDSA-N 1 0 292.423 2.333 20 10 CECDRO Cc1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)ccc1N(C)C ZINC000294672548 395276296 /nfs/dbraw/zinc/27/62/96/395276296.db2.gz RZFNNIQQYIBOKN-QGZVFWFLSA-N 1 0 290.407 2.052 20 10 CECDRO CC[C@H]([NH2+]CCNC(=O)C(C)C)c1ccccc1O ZINC000020125319 171007999 /nfs/dbraw/zinc/00/79/99/171007999.db2.gz SYSHTRFRKCDWCK-ZDUSSCGKSA-N 1 0 264.369 2.205 20 10 CECDRO CCOc1cccc(C[NH2+]CC(C)(C)N(C)C)c1O ZINC000020125781 171009167 /nfs/dbraw/zinc/00/91/67/171009167.db2.gz BHIAPABOMWWKGC-UHFFFAOYSA-N 1 0 266.385 2.221 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)CN1CCOCC1)c1ccccc1O ZINC000036932892 260052552 /nfs/dbraw/zinc/05/25/52/260052552.db2.gz RSRDIOIWMBTULR-UKRRQHHQSA-N 1 0 278.396 2.154 20 10 CECDRO c1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000037363291 260095056 /nfs/dbraw/zinc/09/50/56/260095056.db2.gz WRNHFEGCICMEFG-HZPDHXFCSA-N 1 0 272.392 2.338 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]([NH+](C)C)C2)c1O ZINC000091393745 260266007 /nfs/dbraw/zinc/26/60/07/260266007.db2.gz UTPRFSNSCVJAAN-CQSZACIVSA-N 1 0 294.370 2.260 20 10 CECDRO COc1cccc(C[NH2+]Cc2cccc3c2OCO3)c1O ZINC000040666989 260341200 /nfs/dbraw/zinc/34/12/00/260341200.db2.gz UWGFAZIWXUPFGW-UHFFFAOYSA-N 1 0 287.315 2.419 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCCn2cccn2)c1 ZINC000126262594 260347154 /nfs/dbraw/zinc/34/71/54/260347154.db2.gz LUTXKFOUKXFRNA-LBPRGKRZSA-N 1 0 275.352 2.338 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000152451128 261064310 /nfs/dbraw/zinc/06/43/10/261064310.db2.gz CIAMCBCNGCWLQU-PRHODGIISA-N 1 0 275.801 2.248 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(N2CCOCC2)cc1 ZINC000153088222 261072926 /nfs/dbraw/zinc/07/29/26/261072926.db2.gz HGVYOCIHPALRCV-GJZGRUSLSA-N 1 0 290.407 2.210 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccccc1O ZINC000155434957 261102118 /nfs/dbraw/zinc/10/21/18/261102118.db2.gz FDHDLQSIZWWIDL-WCQYABFASA-N 1 0 260.341 2.113 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc(N(C)C)cc1 ZINC000164174332 261342429 /nfs/dbraw/zinc/34/24/29/261342429.db2.gz FRSFEBDFPDWQQE-BBRMVZONSA-N 1 0 287.411 2.474 20 10 CECDRO COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000178371506 261388016 /nfs/dbraw/zinc/38/80/16/261388016.db2.gz JTYFOKPCNGQMAY-CZUORRHYSA-N 1 0 280.412 2.191 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCCCCS(C)(=O)=O)c1 ZINC000185209298 262045990 /nfs/dbraw/zinc/04/59/90/262045990.db2.gz XCHWMQWGXNPSDR-UHFFFAOYSA-N 1 0 285.409 2.005 20 10 CECDRO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000185786706 262070715 /nfs/dbraw/zinc/07/07/15/262070715.db2.gz QPKQEROSNSIBIO-CQSZACIVSA-N 1 0 291.395 2.073 20 10 CECDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(C)ccc2O)C1(C)C ZINC000186590033 262101043 /nfs/dbraw/zinc/10/10/43/262101043.db2.gz XRBGLKOSUAWNJC-RDJZCZTQSA-N 1 0 293.407 2.356 20 10 CECDRO CCOc1cccc(C[NH2+]CC2(C)OCCCO2)c1O ZINC000192251742 262200996 /nfs/dbraw/zinc/20/09/96/262200996.db2.gz UHKWFDVYFWUELJ-UHFFFAOYSA-N 1 0 281.352 2.034 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCCN2C)c1 ZINC000185141865 262302979 /nfs/dbraw/zinc/30/29/79/262302979.db2.gz TWXDGJBHYKEHIE-NEPJUHHUSA-N 1 0 264.369 2.146 20 10 CECDRO O=C1CCCN1[C@@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000276815681 263038092 /nfs/dbraw/zinc/03/80/92/263038092.db2.gz OQOPVEWTJGIVIX-LLVKDONJSA-N 1 0 294.782 2.242 20 10 CECDRO COc1cc(O)c(C[NH2+]C2(CCO)CCCC2)cc1OC ZINC000289356059 263109613 /nfs/dbraw/zinc/10/96/13/263109613.db2.gz JTXXBDPIZXXUQV-UHFFFAOYSA-N 1 0 295.379 2.194 20 10 CECDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1O ZINC000299558821 263246610 /nfs/dbraw/zinc/24/66/10/263246610.db2.gz ZFZQDDVNDMCPEK-AWEZNQCLSA-N 1 0 293.411 2.168 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCSC2)c1 ZINC000164751861 263700594 /nfs/dbraw/zinc/70/05/94/263700594.db2.gz AHNMZCNCDCVGHJ-LLVKDONJSA-N 1 0 253.367 2.386 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368045721 267142016 /nfs/dbraw/zinc/14/20/16/267142016.db2.gz WEZUEGGVIYPXEM-CAVOSLQRSA-N 1 0 288.391 2.429 20 10 CECDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(OCC)ccc1O ZINC000185823195 327846548 /nfs/dbraw/zinc/84/65/48/327846548.db2.gz VARILYGDBGTOQW-MASHWEEQSA-N 1 0 265.353 2.208 20 10 CECDRO CCC[C@@H](C[NH2+]Cc1cccc(OC)c1O)OC ZINC000293537171 328101238 /nfs/dbraw/zinc/10/12/38/328101238.db2.gz AHTNWNXEWFMXTG-LBPRGKRZSA-N 1 0 253.342 2.306 20 10 CECDRO COC[C@@H](CO)[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000280983271 328237755 /nfs/dbraw/zinc/23/77/55/328237755.db2.gz MFIWOEIPVSJMJC-GDBMZVCRSA-N 1 0 292.423 2.335 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1 ZINC000294002292 327194615 /nfs/dbraw/zinc/19/46/15/327194615.db2.gz MHLSOKBPUJHNHG-ABAIWWIYSA-N 1 0 265.353 2.042 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C(C)(C)C)cc1 ZINC000278781831 327195586 /nfs/dbraw/zinc/19/55/86/327195586.db2.gz VORRVVWJCSPGEZ-AWEZNQCLSA-N 1 0 250.386 2.249 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC(C)(C)CO)cc1 ZINC000294907253 327582195 /nfs/dbraw/zinc/58/21/95/327582195.db2.gz XTLLKRPFXJYAGL-UHFFFAOYSA-N 1 0 250.386 2.251 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000377776475 329029048 /nfs/dbraw/zinc/02/90/48/329029048.db2.gz VSMJCIISKJAXNK-UHFFFAOYSA-N 1 0 283.371 2.320 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c1O ZINC000378127893 329041013 /nfs/dbraw/zinc/04/10/13/329041013.db2.gz IHCCMTQKIAOOAX-MRXNPFEDSA-N 1 0 279.380 2.241 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCC[C@H](CO)C2)cc1OC ZINC000378440134 329050346 /nfs/dbraw/zinc/05/03/46/329050346.db2.gz ZNDFEBFEWNVXGQ-LBPRGKRZSA-N 1 0 295.379 2.004 20 10 CECDRO CCOc1cccc(CN2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1O ZINC000378526667 329054202 /nfs/dbraw/zinc/05/42/02/329054202.db2.gz QZULGKSNKOCKFX-UKRRQHHQSA-N 1 0 290.407 2.317 20 10 CECDRO COc1ccc(N2CCC[N@@H+](C[C@H](C)OC)CC2)cc1 ZINC000182076700 329239617 /nfs/dbraw/zinc/23/96/17/329239617.db2.gz IVORZGSDZICGAR-AWEZNQCLSA-N 1 0 278.396 2.242 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1O ZINC000224543338 333222348 /nfs/dbraw/zinc/22/23/48/333222348.db2.gz IYDYLPIRXCNAFK-CABCVRRESA-N 1 0 260.381 2.417 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@](C)(OC)C2)c1 ZINC000230299783 333316219 /nfs/dbraw/zinc/31/62/19/333316219.db2.gz NFJBADFMTVTPCC-OAHLLOKOSA-N 1 0 265.353 2.402 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)C(C)C)c1 ZINC000230664188 333320020 /nfs/dbraw/zinc/32/00/20/333320020.db2.gz NLTIHQNIFIVZBM-BXUZGUMPSA-N 1 0 267.369 2.458 20 10 CECDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC(C)(C)C ZINC000135719287 334137167 /nfs/dbraw/zinc/13/71/67/334137167.db2.gz XDACWZXBIDJVTG-QWRGUYRKSA-N 1 0 264.369 2.346 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(CCC(N)=O)CC2)c1 ZINC000271207689 500662055 /nfs/dbraw/zinc/66/20/55/500662055.db2.gz SNIUPGDTCDCGQV-UHFFFAOYSA-N 1 0 276.380 2.178 20 10 CECDRO C1=CO[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000275841025 518576525 /nfs/dbraw/zinc/57/65/25/518576525.db2.gz PXWBCMNTLJADMG-QGZVFWFLSA-N 1 0 288.391 2.306 20 10 CECDRO CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000290313172 519786962 /nfs/dbraw/zinc/78/69/62/519786962.db2.gz NUOFAUDYMNXMNC-JTQLQIEISA-N 1 0 289.372 2.005 20 10 CECDRO CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000104136582 521589132 /nfs/dbraw/zinc/58/91/32/521589132.db2.gz WPELUGFCSZMHTF-MRXNPFEDSA-N 1 0 289.423 2.243 20 10 CECDRO CCOC(CC[NH2+]Cc1cccc(OC)c1O)OCC ZINC000276269276 521630151 /nfs/dbraw/zinc/63/01/51/521630151.db2.gz VNSDUTJOBNZHGT-UHFFFAOYSA-N 1 0 283.368 2.280 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCCOC[C@@H]2CCCO2)cc1 ZINC000020146501 522206074 /nfs/dbraw/zinc/20/60/74/522206074.db2.gz RUHQBSXNWZYZGW-KRWDZBQOSA-N 1 0 292.423 2.428 20 10 CECDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000094948703 522507087 /nfs/dbraw/zinc/50/70/87/522507087.db2.gz MPQOIBJNDFCXKU-RYUDHWBXSA-N 1 0 267.369 2.460 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H]2CCCOC2)c1O ZINC000228673129 522543280 /nfs/dbraw/zinc/54/32/80/522543280.db2.gz GKUQZKIPNDULRI-NSHDSACASA-N 1 0 271.744 2.323 20 10 CECDRO CC[C@H]([NH2+]CCCC(=O)N(C)C)c1ccccc1O ZINC000155386739 522577114 /nfs/dbraw/zinc/57/71/14/522577114.db2.gz YZDBWMOTJZWMNQ-ZDUSSCGKSA-N 1 0 264.369 2.301 20 10 CECDRO C[N@H+](CCCCO)Cc1cc(Br)ccc1O ZINC000276669588 522737853 /nfs/dbraw/zinc/73/78/53/522737853.db2.gz OYCBKBQKDZRPHM-UHFFFAOYSA-N 1 0 288.185 2.359 20 10 CECDRO CC[C@@H]([NH2+]CCCNC(C)=O)c1ccc(C)cc1O ZINC000280079074 522828563 /nfs/dbraw/zinc/82/85/63/522828563.db2.gz LPSFSRZLUVGSPB-CQSZACIVSA-N 1 0 264.369 2.268 20 10 CECDRO COCC1(C[NH2+]Cc2ccc(N(C)C)cc2)CCOCC1 ZINC000291724105 522901334 /nfs/dbraw/zinc/90/13/34/522901334.db2.gz MZCXILWGRUYUPK-UHFFFAOYSA-N 1 0 292.423 2.285 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCN(CCOC)C1)c1ccccc1O ZINC000274931798 522951376 /nfs/dbraw/zinc/95/13/76/522951376.db2.gz RAHCNESVELSBJS-DZGCQCFKSA-N 1 0 278.396 2.154 20 10 CECDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000290111809 524010147 /nfs/dbraw/zinc/01/01/47/524010147.db2.gz IRLIDWRZDORRDB-WLTAIBSBSA-N 1 0 271.744 2.110 20 10 CECDRO COCCOCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000044693903 524010130 /nfs/dbraw/zinc/01/01/30/524010130.db2.gz KHAMMFMCMIBZDF-LBPRGKRZSA-N 1 0 253.342 2.014 20 10 CECDRO COc1ccc(N(C)CC2CC[NH2+]CC2)c(OC)c1 ZINC000259021806 524350486 /nfs/dbraw/zinc/35/04/86/524350486.db2.gz NXBQYNGMROKGDE-UHFFFAOYSA-N 1 0 264.369 2.140 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1O ZINC000289872997 524439005 /nfs/dbraw/zinc/43/90/05/524439005.db2.gz RKIASZKXXPDIHA-CZUORRHYSA-N 1 0 290.407 2.484 20 10 CECDRO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1c(O)cccc1Cl ZINC000279498203 524621791 /nfs/dbraw/zinc/62/17/91/524621791.db2.gz VSAKCEISARXCML-LBPRGKRZSA-N 1 0 298.814 2.198 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000278677248 524752930 /nfs/dbraw/zinc/75/29/30/524752930.db2.gz LZWRBJWVXUZUFT-MRXNPFEDSA-N 1 0 291.322 2.363 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](CO)CC(C)C)c1 ZINC000040774034 524774774 /nfs/dbraw/zinc/77/47/74/524774774.db2.gz KNIBODOAPATVDJ-RYUDHWBXSA-N 1 0 267.369 2.458 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1O ZINC000280200221 524869207 /nfs/dbraw/zinc/86/92/07/524869207.db2.gz BGRWLRKZCUFOLT-WCQYABFASA-N 1 0 299.798 2.089 20 10 CECDRO Cc1cc(N2CCC([NH2+]Cc3ccccc3O)CC2)n[nH]1 ZINC000275780297 525057295 /nfs/dbraw/zinc/05/72/95/525057295.db2.gz BHQNRXILLVZPRA-UHFFFAOYSA-N 1 0 286.379 2.182 20 10 CECDRO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccccc1O ZINC000289740638 525247175 /nfs/dbraw/zinc/24/71/75/525247175.db2.gz QCYHBWOHOAYDMP-UKRRQHHQSA-N 1 0 260.381 2.451 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c1 ZINC000277066216 525345741 /nfs/dbraw/zinc/34/57/41/525345741.db2.gz QUIYKWAIJSYDEF-UHFFFAOYSA-N 1 0 270.332 2.360 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CN2CCCC2=O)c1 ZINC000037782915 525363425 /nfs/dbraw/zinc/36/34/25/525363425.db2.gz XPBWAIIYNGMFKI-CHWSQXEVSA-N 1 0 276.380 2.362 20 10 CECDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000037256073 525400878 /nfs/dbraw/zinc/40/08/78/525400878.db2.gz XSOGTZLQMIJOIR-CYBMUJFWSA-N 1 0 261.413 2.497 20 10 CECDRO C[C@@H]([NH2+]CCCn1ccnc1)c1cc(F)ccc1O ZINC000094617044 525446994 /nfs/dbraw/zinc/44/69/94/525446994.db2.gz CPTKVGSUKHZLMC-LLVKDONJSA-N 1 0 263.316 2.469 20 10 CECDRO C[C@H]([NH2+]Cc1ccnn1C)c1ccc(N(C)C)cc1 ZINC000071333442 525470528 /nfs/dbraw/zinc/47/05/28/525470528.db2.gz VAXCAKJUCKYTQD-LBPRGKRZSA-N 1 0 258.369 2.337 20 10 CECDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(F)ccc1O ZINC000094618081 525605733 /nfs/dbraw/zinc/60/57/33/525605733.db2.gz ONYUDSCKYKSCNW-WFBYXXMGSA-N 1 0 253.317 2.485 20 10 CECDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000130987676 525658234 /nfs/dbraw/zinc/65/82/34/525658234.db2.gz PRLGXGITNRZAOD-NSHDSACASA-N 1 0 281.377 2.448 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(F)ccc1O ZINC000094618082 525675698 /nfs/dbraw/zinc/67/56/98/525675698.db2.gz ONYUDSCKYKSCNW-LQJRIPTKSA-N 1 0 253.317 2.485 20 10 CECDRO COc1cccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1O ZINC000290466433 525919072 /nfs/dbraw/zinc/91/90/72/525919072.db2.gz NGVPPFVBGGCZOK-JSGCOSHPSA-N 1 0 278.396 2.173 20 10 CECDRO COc1cccc(C[NH2+]C[C@@](C)(O)c2cccs2)c1O ZINC000265780945 526019692 /nfs/dbraw/zinc/01/96/92/526019692.db2.gz OKAVDXNTDUJBRB-OAHLLOKOSA-N 1 0 293.388 2.460 20 10 CECDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc(N(C)C)cc1 ZINC000193570434 526229279 /nfs/dbraw/zinc/22/92/79/526229279.db2.gz BZCXGRFCWDDKLE-CHWSQXEVSA-N 1 0 262.397 2.486 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CC1CCOCC1 ZINC000070161080 526432860 /nfs/dbraw/zinc/43/28/60/526432860.db2.gz WCIIILVUIWXRKS-UHFFFAOYSA-N 1 0 290.407 2.039 20 10 CECDRO C[C@@H](CNC(=O)C1=CC(=O)CS1)[N@@H+]1CCC[C@@H](C)C1 ZINC000731869556 574604521 /nfs/dbraw/zinc/60/45/21/574604521.db2.gz LMTLJUPCRFSHMZ-MNOVXSKESA-N 1 0 282.409 2.304 20 10 CECDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1c(O)cccc1OC ZINC000732820589 574632433 /nfs/dbraw/zinc/63/24/33/574632433.db2.gz LVPQROYIDYPNMT-XHDPSFHLSA-N 1 0 267.369 2.288 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1F ZINC000733325468 574664085 /nfs/dbraw/zinc/66/40/85/574664085.db2.gz NQEODSWGUOGEFK-CYBMUJFWSA-N 1 0 265.376 2.076 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)C2CC2)cc1F ZINC000733326503 574664324 /nfs/dbraw/zinc/66/43/24/574664324.db2.gz HEHOPIVUPDPNSD-HNNXBMFYSA-N 1 0 266.360 2.142 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)C2CC2)cc1 ZINC000734161211 574704003 /nfs/dbraw/zinc/70/40/03/574704003.db2.gz NCUDLECIWMNPAI-MRXNPFEDSA-N 1 0 262.397 2.393 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCOC1CCC1 ZINC000742387008 575018980 /nfs/dbraw/zinc/01/89/80/575018980.db2.gz OCPIBGQSPVBDDO-UHFFFAOYSA-N 1 0 251.326 2.060 20 10 CECDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CC[N@@H+]1C ZINC000745855149 575144816 /nfs/dbraw/zinc/14/48/16/575144816.db2.gz RYUCAHZLEAAWJD-OCCSQVGLSA-N 1 0 291.395 2.016 20 10 CECDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CC[N@@H+]1C ZINC000745855145 575144949 /nfs/dbraw/zinc/14/49/49/575144949.db2.gz RYUCAHZLEAAWJD-GXTWGEPZSA-N 1 0 291.395 2.016 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCSC1 ZINC000749111213 575205464 /nfs/dbraw/zinc/20/54/64/575205464.db2.gz YKVAQWLTWQAPEV-SNVBAGLBSA-N 1 0 253.367 2.386 20 10 CECDRO CC[C@@H](C(=O)NCc1cc(OC)ccc1O)[NH+](CC)CC ZINC000750023273 575244040 /nfs/dbraw/zinc/24/40/40/575244040.db2.gz XCIPHGHBQKWFHY-AWEZNQCLSA-N 1 0 294.395 2.137 20 10 CECDRO CN(C)c1cc[nH+]c(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000753012857 575317831 /nfs/dbraw/zinc/31/78/31/575317831.db2.gz BLEVMGULWQUGQN-GQCTYLIASA-N 1 0 299.330 2.211 20 10 CECDRO C[N@H+](Cc1cnc2cnccn12)Cc1ccccc1O ZINC000091956603 625427033 /nfs/dbraw/zinc/42/70/33/625427033.db2.gz XCANLWZWSLBPRH-UHFFFAOYSA-N 1 0 268.320 2.067 20 10 CECDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892450041 625487452 /nfs/dbraw/zinc/48/74/52/625487452.db2.gz PBTIVKYMIPUHHA-MQMHXKEQSA-N 1 0 291.395 2.051 20 10 CECDRO CC(C)C(=O)NCCC[NH2+]Cc1c(O)cccc1Cl ZINC000120384220 622668644 /nfs/dbraw/zinc/66/86/44/622668644.db2.gz RCABQZSOPWXVOV-UHFFFAOYSA-N 1 0 284.787 2.298 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H]2CC)c1 ZINC000091981828 625614280 /nfs/dbraw/zinc/61/42/80/625614280.db2.gz BYOYLKHIOMBXRE-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2COC(C)(C)O2)cc1 ZINC000891397108 623593935 /nfs/dbraw/zinc/59/39/35/623593935.db2.gz LMOXFAHSBWTAIG-HNNXBMFYSA-N 1 0 278.396 2.336 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2CNC(=O)C2)c1O ZINC000840838024 623630579 /nfs/dbraw/zinc/63/05/79/623630579.db2.gz MBLJAQHWMBQFHD-UWVGGRQHSA-N 1 0 282.771 2.141 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(C)C2)c1 ZINC000040672095 623834929 /nfs/dbraw/zinc/83/49/29/623834929.db2.gz WNWOALHEUANKOX-NWDGAFQWSA-N 1 0 264.369 2.146 20 10 CECDRO CCOCC[N@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC000891818367 623991438 /nfs/dbraw/zinc/99/14/38/623991438.db2.gz MKQSDUMMQOUYEC-UHFFFAOYSA-N 1 0 283.368 2.268 20 10 CECDRO COC(=O)CN(Cc1ccc(N(C)C)cc1)C(C)C ZINC000121627368 624094397 /nfs/dbraw/zinc/09/43/97/624094397.db2.gz DTZYCJHHIQRIOT-UHFFFAOYSA-N 1 0 264.369 2.136 20 10 CECDRO CCC[N@H+](Cc1cc(C)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000161108279 624223612 /nfs/dbraw/zinc/22/36/12/624223612.db2.gz AGKYYIADHZOXHU-CQSZACIVSA-N 1 0 297.420 2.100 20 10 CECDRO C[C@@H](NC(=O)N[C@@H](C)CCCC[NH3+])c1ccccc1O ZINC000892134963 624344729 /nfs/dbraw/zinc/34/47/29/624344729.db2.gz PIXULAZMYAKCOJ-NWDGAFQWSA-N 1 0 279.384 2.270 20 10 CECDRO C[NH2+]C[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000050158915 624603075 /nfs/dbraw/zinc/60/30/75/624603075.db2.gz GTOXGQXEDFOMNT-LBPRGKRZSA-N 1 0 294.370 2.165 20 10 CECDRO CCCC[N@H+](CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000159091407 625948122 /nfs/dbraw/zinc/94/81/22/625948122.db2.gz QBNTYUMUPRHYFL-UHFFFAOYSA-N 1 0 268.376 2.486 20 10 CECDRO Oc1cccc(Cl)c1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311210130 627391073 /nfs/dbraw/zinc/39/10/73/627391073.db2.gz KZKNJEBSCHJXAB-MFKMUULPSA-N 1 0 266.772 2.229 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@](C)(O)C2CC2)c1O ZINC000311593700 627681219 /nfs/dbraw/zinc/68/12/19/627681219.db2.gz AZKICXUHXRFVFU-HNNXBMFYSA-N 1 0 265.353 2.042 20 10 CECDRO CC[S@](=O)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000168763827 627686643 /nfs/dbraw/zinc/68/66/43/627686643.db2.gz ZHUCKKAZQCNBAG-APPDUMDISA-N 1 0 255.383 2.120 20 10 CECDRO COc1ccc(C[NH2+]CCCSC)c(O)c1OC ZINC000893007819 627940027 /nfs/dbraw/zinc/94/00/27/627940027.db2.gz DVXUXWBWHYCGME-UHFFFAOYSA-N 1 0 271.382 2.252 20 10 CECDRO CCOCCO[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180284712 628076861 /nfs/dbraw/zinc/07/68/61/628076861.db2.gz ZVWYPKMWCSNKIQ-AWEZNQCLSA-N 1 0 283.343 2.159 20 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MUXMPOIGQJCXHH-SNVBAGLBSA-N 1 0 282.771 2.051 20 10 CECDRO CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1O ZINC000925786252 628824850 /nfs/dbraw/zinc/82/48/50/628824850.db2.gz SXPZAYZLISPYCH-JIMOISOXSA-N 1 0 252.333 2.180 20 10 CECDRO C[C@@H](N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1O ZINC000925800844 628848028 /nfs/dbraw/zinc/84/80/28/628848028.db2.gz YBGQMORWEXJOOS-ZIAGYGMSSA-N 1 0 290.407 2.202 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000840950944 628849573 /nfs/dbraw/zinc/84/95/73/628849573.db2.gz ULUJZNPZBBTFDM-RDJZCZTQSA-N 1 0 273.424 2.197 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)CC(=O)OC)c1 ZINC000236865567 628952500 /nfs/dbraw/zinc/95/25/00/628952500.db2.gz ZZZCIZJDTGLVKJ-UHFFFAOYSA-N 1 0 281.352 2.222 20 10 CECDRO CN(C)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000097928810 628970990 /nfs/dbraw/zinc/97/09/90/628970990.db2.gz ODKCPIVCBXNPMR-UHFFFAOYSA-N 1 0 260.381 2.195 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(F)ccc1O ZINC000251705666 629161788 /nfs/dbraw/zinc/16/17/88/629161788.db2.gz PCKYIKVDPNRGQH-OUJBWJOFSA-N 1 0 253.317 2.343 20 10 CECDRO CCO[C@H]1CC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000902526912 634715198 /nfs/dbraw/zinc/71/51/98/634715198.db2.gz CNNLPLVQSPJVQP-ZDUSSCGKSA-N 1 0 265.353 2.320 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894195018 629200532 /nfs/dbraw/zinc/20/05/32/629200532.db2.gz TXLXDMPZNFKQSG-GFCCVEGCSA-N 1 0 294.395 2.104 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000894361656 629393748 /nfs/dbraw/zinc/39/37/48/629393748.db2.gz LSCWZSYDVXFILX-LBPRGKRZSA-N 1 0 293.285 2.112 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccnc(C)c2)c(O)c1OC ZINC000894679304 629585631 /nfs/dbraw/zinc/58/56/31/629585631.db2.gz LQULOKMFYPJVKM-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2OC)c(O)c1OC ZINC000894731113 629610707 /nfs/dbraw/zinc/61/07/07/629610707.db2.gz ZNHFSDBESXPCIW-VXGBXAGGSA-N 1 0 281.352 2.067 20 10 CECDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000902636935 634756871 /nfs/dbraw/zinc/75/68/71/634756871.db2.gz HIRYNRSRONMCKT-HOCLYGCPSA-N 1 0 261.365 2.490 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000902629442 634752181 /nfs/dbraw/zinc/75/21/81/634752181.db2.gz DKFNVOHNVPPSFX-GFCCVEGCSA-N 1 0 279.380 2.265 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCO[C@@H]2CCCCO2)c1 ZINC000894798750 629646633 /nfs/dbraw/zinc/64/66/33/629646633.db2.gz HWCYIJXKUNLVMK-OAHLLOKOSA-N 1 0 265.353 2.333 20 10 CECDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000894974251 629775786 /nfs/dbraw/zinc/77/57/86/629775786.db2.gz FTAIQLKREUFSFS-OLZOCXBDSA-N 1 0 295.379 2.457 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1O ZINC000895014740 629798693 /nfs/dbraw/zinc/79/86/93/629798693.db2.gz MUKNFLUTXUZYGW-STQMWFEESA-N 1 0 279.380 2.302 20 10 CECDRO C[C@H]([NH2+]Cc1cnc[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000796451235 629908074 /nfs/dbraw/zinc/90/80/74/629908074.db2.gz UPQSJCPOEAZJML-ZDUSSCGKSA-N 1 0 286.379 2.097 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCC(O)CC1 ZINC000796771150 629997781 /nfs/dbraw/zinc/99/77/81/629997781.db2.gz JAFIJDIRCZHTOJ-UHFFFAOYSA-N 1 0 262.397 2.454 20 10 CECDRO COc1cc(O)c(C[N@H+](C)[C@@H]2CCCC[C@H]2O)cc1OC ZINC000895437407 630189266 /nfs/dbraw/zinc/18/92/66/630189266.db2.gz KYJDNUZXMFJMGL-CHWSQXEVSA-N 1 0 295.379 2.145 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1O ZINC000895441157 630191943 /nfs/dbraw/zinc/19/19/43/630191943.db2.gz YBQKFYSEDDVSIZ-GMXVVIOVSA-N 1 0 265.353 2.365 20 10 CECDRO COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](C)c2ccccc2O)C1(F)F ZINC000895460063 630202593 /nfs/dbraw/zinc/20/25/93/630202593.db2.gz ITSWAJXVJGFKED-PEXQALLHSA-N 1 0 285.290 2.097 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCC[C@@H]2CCOC2=O)c1O ZINC000895474682 630210923 /nfs/dbraw/zinc/21/09/23/630210923.db2.gz QODMWNRCAJXFGY-GFCCVEGCSA-N 1 0 293.363 2.142 20 10 CECDRO CCOc1ccc(CNCc2nc(C(F)F)no2)c(O)c1 ZINC000895726886 630317258 /nfs/dbraw/zinc/31/72/58/630317258.db2.gz JQIJJISKXAHMCY-UHFFFAOYSA-N 1 0 299.277 2.401 20 10 CECDRO COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1O ZINC000895781114 630349243 /nfs/dbraw/zinc/34/92/43/630349243.db2.gz CIHAEKDBZXKMMV-BIMULSAOSA-N 1 0 297.782 2.257 20 10 CECDRO Cc1ccc(C[N@@H+]2[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]2C)c(O)c1 ZINC000895923591 630404985 /nfs/dbraw/zinc/40/49/85/630404985.db2.gz WZKKJAPNBFMTAW-RWMBFGLXSA-N 1 0 276.380 2.140 20 10 CECDRO COCC1C[NH+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000895974978 630425649 /nfs/dbraw/zinc/42/56/49/630425649.db2.gz MBOYODMSZJAECY-UHFFFAOYSA-N 1 0 255.745 2.432 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2C=CCC2)c(O)c1OC ZINC000895993292 630432662 /nfs/dbraw/zinc/43/26/62/630432662.db2.gz ANQKRERGTYUPHK-NSHDSACASA-N 1 0 263.337 2.465 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2C=CCC2)c(O)c1OC ZINC000895993289 630432706 /nfs/dbraw/zinc/43/27/06/630432706.db2.gz ANQKRERGTYUPHK-LLVKDONJSA-N 1 0 263.337 2.465 20 10 CECDRO CO[C@]12CCC[C@@]1([NH2+]Cc1ccccc1O)CCO2 ZINC000896412885 630558005 /nfs/dbraw/zinc/55/80/05/630558005.db2.gz FOCGIJNGUWJMQD-CABCVRRESA-N 1 0 263.337 2.168 20 10 CECDRO CCc1cccc(C[NH2+][C@H](CC)CN2CCOCC2)c1O ZINC000896616563 630612717 /nfs/dbraw/zinc/61/27/17/630612717.db2.gz FUIHFIBEIZHLQZ-MRXNPFEDSA-N 1 0 292.423 2.155 20 10 CECDRO [O-]c1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000896636487 630620751 /nfs/dbraw/zinc/62/07/51/630620751.db2.gz DIWKUYKHRASDIA-NEPJUHHUSA-N 1 0 264.344 2.248 20 10 CECDRO Oc1c(C[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)ccc2ccccc21 ZINC000896858690 630694430 /nfs/dbraw/zinc/69/44/30/630694430.db2.gz LOSPNTVOSQPMGJ-INMHGKMJSA-N 1 0 299.370 2.439 20 10 CECDRO C[C@H](O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000798195249 630834611 /nfs/dbraw/zinc/83/46/11/630834611.db2.gz DMIRFVZAVIGFBK-DZGCQCFKSA-N 1 0 279.380 2.144 20 10 CECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000896962001 630844461 /nfs/dbraw/zinc/84/44/61/630844461.db2.gz HJORTIPBFCCUDL-CYBMUJFWSA-N 1 0 293.363 2.176 20 10 CECDRO COc1cccc(C[NH2+]Cc2ccncc2C)c1O ZINC000228654036 631036567 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C[C@@H](CCO)[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862403185 631337070 /nfs/dbraw/zinc/33/70/70/631337070.db2.gz WZBUVDQFIJQLIZ-JTQLQIEISA-N 1 0 272.339 2.234 20 10 CECDRO CN(C)c1ccc([C@@H](CNc2cnccn2)[NH+](C)C)cc1 ZINC000897523218 631620536 /nfs/dbraw/zinc/62/05/36/631620536.db2.gz RXKZTMKIRHCINX-OAHLLOKOSA-N 1 0 285.395 2.257 20 10 CECDRO CC[C@@H]([NH2+]Cc1cnn(C)n1)c1ccc(C)cc1O ZINC000806168656 631722741 /nfs/dbraw/zinc/72/27/41/631722741.db2.gz WFMWWJCPOLNNPV-CYBMUJFWSA-N 1 0 260.341 2.070 20 10 CECDRO C[C@@H]1C[N@H+](C/C=C/c2ccc(N(C)C)cc2)C[C@@H]1O ZINC000897679121 631862947 /nfs/dbraw/zinc/86/29/47/631862947.db2.gz HULUMZKSXZFRLH-GNVQUDOXSA-N 1 0 260.381 2.078 20 10 CECDRO CCOc1ccc(C[NH2+]Cc2cnn(CCF)c2)c(O)c1 ZINC000897737652 631908475 /nfs/dbraw/zinc/90/84/75/631908475.db2.gz RHYWUYRVBNSHCG-UHFFFAOYSA-N 1 0 293.342 2.247 20 10 CECDRO c1cc2c(cc1C[NH2+][C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CCCO2 ZINC000897811218 631910646 /nfs/dbraw/zinc/91/06/46/631910646.db2.gz 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COc1cccc(C[N@@H+]2CCO[C@](C)(C3CC3)C2)c1O ZINC000826877337 635869034 /nfs/dbraw/zinc/86/90/34/635869034.db2.gz DXKQEHYCNDZRJG-INIZCTEOSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c(O)c1 ZINC000815576681 633033473 /nfs/dbraw/zinc/03/34/73/633033473.db2.gz WDZKHWFIIFLUEE-GJZGRUSLSA-N 1 0 292.423 2.380 20 10 CECDRO Cn1cc([C@H](O)C[NH2+]Cc2ccc3ccccc3c2O)cn1 ZINC000816555117 633412436 /nfs/dbraw/zinc/41/24/36/633412436.db2.gz UNLOOFSVEKKYFE-MRXNPFEDSA-N 1 0 297.358 2.102 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H](CO)O1 ZINC000816588171 633417406 /nfs/dbraw/zinc/41/74/06/633417406.db2.gz HTUWQVKTPFTUND-IUODEOHRSA-N 1 0 287.359 2.127 20 10 CECDRO O=C1C[C@]2(CC[N@@H+](Cc3ccc4ccccc4c3O)C2)CN1 ZINC000816593757 633419551 /nfs/dbraw/zinc/41/95/51/633419551.db2.gz CWCHUIRXVOZELM-GOSISDBHSA-N 1 0 296.370 2.257 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](CO)CC2)c1 ZINC000816665354 633459438 /nfs/dbraw/zinc/45/94/38/633459438.db2.gz DBVOLUHAPBBQIH-CYBMUJFWSA-N 1 0 279.380 2.385 20 10 CECDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000817412875 633651566 /nfs/dbraw/zinc/65/15/66/633651566.db2.gz PYLOVZPLEBUADB-WDEREUQCSA-N 1 0 269.772 2.496 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1 ZINC000817412923 633651685 /nfs/dbraw/zinc/65/16/85/633651685.db2.gz QZCRPWYOCPIYDS-STQMWFEESA-N 1 0 279.380 2.241 20 10 CECDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000817412873 633652152 /nfs/dbraw/zinc/65/21/52/633652152.db2.gz PYLOVZPLEBUADB-MNOVXSKESA-N 1 0 269.772 2.496 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000817895037 633757371 /nfs/dbraw/zinc/75/73/71/633757371.db2.gz SZDASKODWMCHAM-CJNGLKHVSA-N 1 0 261.413 2.291 20 10 CECDRO C[NH2+]CCN[C@@H](C)c1cc(Br)ccc1O ZINC000817951247 633789568 /nfs/dbraw/zinc/78/95/68/633789568.db2.gz CHBVCLORBYZOOF-QMMMGPOBSA-N 1 0 273.174 2.025 20 10 CECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@H]1C ZINC000817956787 633799539 /nfs/dbraw/zinc/79/95/39/633799539.db2.gz CXTNHIRFQWPODR-NOLJZWGESA-N 1 0 290.407 2.379 20 10 CECDRO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000817968704 633812349 /nfs/dbraw/zinc/81/23/49/633812349.db2.gz WFRCLRFWKARZHN-XEZPLFJOSA-N 1 0 261.413 2.401 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccc(N(C)C)cc1 ZINC000817976818 633819754 /nfs/dbraw/zinc/81/97/54/633819754.db2.gz UZGZHTUFOKOKMT-OFQRWUPVSA-N 1 0 279.403 2.493 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817981675 633825123 /nfs/dbraw/zinc/82/51/23/633825123.db2.gz MIJGVPSZPHRYOB-AXFHLTTASA-N 1 0 279.340 2.078 20 10 CECDRO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1O ZINC000817981654 633825228 /nfs/dbraw/zinc/82/52/28/633825228.db2.gz UKWGFOPJXKPFFE-PRHODGIISA-N 1 0 274.286 2.179 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccc2ccccc2c1O ZINC000817983949 633826250 /nfs/dbraw/zinc/82/62/50/633826250.db2.gz SFDIYOHILYMPNX-TZMCWYRMSA-N 1 0 286.375 2.184 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3cocn3)C2)cc1 ZINC000818220139 633886497 /nfs/dbraw/zinc/88/64/97/633886497.db2.gz FVHHSBLPBSNFIJ-CYBMUJFWSA-N 1 0 287.363 2.299 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCO[C@H]3C)C2)cc1 ZINC000818221459 633887207 /nfs/dbraw/zinc/88/72/07/633887207.db2.gz MUFAEKODGHTQQA-VBQJREDUSA-N 1 0 290.407 2.289 20 10 CECDRO COc1ccc(N2CC[C@@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000818345975 633914222 /nfs/dbraw/zinc/91/42/22/633914222.db2.gz ZAINXKFDDBOAJX-LSDHHAIUSA-N 1 0 290.407 2.290 20 10 CECDRO [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000818431323 633921146 /nfs/dbraw/zinc/92/11/46/633921146.db2.gz JFOMLJLDJAQPFM-VXGBXAGGSA-N 1 0 254.761 2.405 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000818608179 633958784 /nfs/dbraw/zinc/95/87/84/633958784.db2.gz QIBGHBLIPDKBRH-ZIAGYGMSSA-N 1 0 291.439 2.473 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]C[C@H](O)C1CC1 ZINC000819376883 634161325 /nfs/dbraw/zinc/16/13/25/634161325.db2.gz JHRVMLUQXXTLON-DYVFJYSZSA-N 1 0 276.424 2.353 20 10 CECDRO CC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000819376761 634161668 /nfs/dbraw/zinc/16/16/68/634161668.db2.gz IUELXBBVTYSHHS-XJKSGUPXSA-N 1 0 264.413 2.353 20 10 CECDRO CSC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000819377348 634162654 /nfs/dbraw/zinc/16/26/54/634162654.db2.gz QGDDXEGVPDADNW-BBRMVZONSA-N 1 0 296.480 2.306 20 10 CECDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000903400230 635109368 /nfs/dbraw/zinc/10/93/68/635109368.db2.gz NJSRZTPBDVTWIP-GRDNDAEWSA-N 1 0 290.407 2.209 20 10 CECDRO COc1ccc(N(C)C[C@@H]2CC[C@H]([NH3+])C2)cc1F ZINC000903439489 635119045 /nfs/dbraw/zinc/11/90/45/635119045.db2.gz IIEMMGFBVVWHHW-MNOVXSKESA-N 1 0 252.333 2.398 20 10 CECDRO Cc1cc(O)c(CN2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1C ZINC000903982920 635401080 /nfs/dbraw/zinc/40/10/80/635401080.db2.gz ZSJMLPWBWACSIK-VXGBXAGGSA-N 1 0 288.313 2.330 20 10 CECDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2O)CCO1 ZINC000824320397 635404245 /nfs/dbraw/zinc/40/42/45/635404245.db2.gz HAKSOTMPBAUVTE-STQMWFEESA-N 1 0 265.353 2.448 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H](C)CCCO)c(O)c1 ZINC000824603399 635461013 /nfs/dbraw/zinc/46/10/13/635461013.db2.gz RIIXIVGKWWZXQG-GFCCVEGCSA-N 1 0 267.369 2.289 20 10 CECDRO CCOc1cccc(C[NH2+]C2(CF)CCOCC2)c1O ZINC000824690588 635478071 /nfs/dbraw/zinc/47/80/71/635478071.db2.gz HRLORPMHLQOQHX-UHFFFAOYSA-N 1 0 283.343 2.399 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCOC[C@H]2OC)cc1C ZINC000824708355 635482055 /nfs/dbraw/zinc/48/20/55/635482055.db2.gz FNBFCSKWEKKRQW-GDBMZVCRSA-N 1 0 279.380 2.145 20 10 CECDRO C[C@@H]1CC[C@H](NCc2ccc3c(c2)CCCO3)C[NH2+]1 ZINC000904380797 635604664 /nfs/dbraw/zinc/60/46/64/635604664.db2.gz GXMYUTSFBHPXIS-DOMZBBRYSA-N 1 0 260.381 2.242 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2(O)CCC2)cc1Cl ZINC000825283534 635605422 /nfs/dbraw/zinc/60/54/22/635605422.db2.gz MWHLIDMHMJRGQC-UHFFFAOYSA-N 1 0 255.745 2.359 20 10 CECDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cc(F)ccc2O)C1 ZINC000825337906 635620590 /nfs/dbraw/zinc/62/05/90/635620590.db2.gz IPUKUKFOFVWNBW-CQSZACIVSA-N 1 0 266.360 2.446 20 10 CECDRO COc1cccc(CN2CC[C@@]3(C2)CCCC[NH2+]3)c1O ZINC000904429916 635625666 /nfs/dbraw/zinc/62/56/66/635625666.db2.gz BJBJXKNPOXULOV-MRXNPFEDSA-N 1 0 276.380 2.119 20 10 CECDRO CO[C@]1(C[NH2+]Cc2cc(Cl)c(C)cc2O)CCOC1 ZINC000825519911 635651525 /nfs/dbraw/zinc/65/15/25/635651525.db2.gz PMZVIAAXCYPVLN-AWEZNQCLSA-N 1 0 285.771 2.249 20 10 CECDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000826910301 635879209 /nfs/dbraw/zinc/87/92/09/635879209.db2.gz DWOUTBXIHRIADO-VPZZIHKRSA-N 1 0 285.384 2.311 20 10 CECDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000827005670 636187152 /nfs/dbraw/zinc/18/71/52/636187152.db2.gz INSGUEZEYWENLL-AULYBMBSSA-N 1 0 251.326 2.058 20 10 CECDRO O=C1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CC[C@H]2N1 ZINC000827140149 636232899 /nfs/dbraw/zinc/23/28/99/636232899.db2.gz IFXABRRMONNGTE-ZWNOBZJWSA-N 1 0 294.782 2.146 20 10 CECDRO CCOc1ccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c(O)c1 ZINC000827152048 636237754 /nfs/dbraw/zinc/23/77/54/636237754.db2.gz PQHZXBHNKWSJOA-VXGBXAGGSA-N 1 0 279.380 2.240 20 10 CECDRO CCOc1cccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1O ZINC000827152351 636239024 /nfs/dbraw/zinc/23/90/24/636239024.db2.gz SIYGDOSHOZQFSW-VXGBXAGGSA-N 1 0 279.380 2.240 20 10 CECDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC000827167252 636244186 /nfs/dbraw/zinc/24/41/86/636244186.db2.gz OXOQGQOUPUXTGX-AWEZNQCLSA-N 1 0 276.380 2.190 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000827340733 636299309 /nfs/dbraw/zinc/29/93/09/636299309.db2.gz JLHYIYDULSERFN-ZDUSSCGKSA-N 1 0 299.365 2.132 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@]1(C)CO ZINC000827699280 636397343 /nfs/dbraw/zinc/39/73/43/636397343.db2.gz GGMGMJJCNLNUQR-LRDDRELGSA-N 1 0 280.387 2.342 20 10 CECDRO CC(C)NC(=O)NCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000828312971 636567167 /nfs/dbraw/zinc/56/71/67/636567167.db2.gz 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CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876580115 650344179 /nfs/dbraw/zinc/34/41/79/650344179.db2.gz GBADWPSKJFVLDK-ZDUSSCGKSA-N 1 0 292.379 2.411 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)COc1ccccc1)CC2 ZINC000834502625 637849246 /nfs/dbraw/zinc/84/92/46/637849246.db2.gz RKSYMSZCMJOAED-GDBMZVCRSA-N 1 0 299.370 2.409 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000834844788 637968135 /nfs/dbraw/zinc/96/81/35/637968135.db2.gz UYSXHIMBOLONSS-QMTHXVAHSA-N 1 0 287.787 2.484 20 10 CECDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876657519 650381042 /nfs/dbraw/zinc/38/10/42/650381042.db2.gz GRYYQLQRYCCDMC-CQSZACIVSA-N 1 0 290.407 2.439 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000834849862 637969644 /nfs/dbraw/zinc/96/96/44/637969644.db2.gz GXADWZNCPJBIPG-GJZGRUSLSA-N 1 0 292.423 2.198 20 10 CECDRO CCN1C[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1=O ZINC000834888907 637979015 /nfs/dbraw/zinc/97/90/15/637979015.db2.gz 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650412828 /nfs/dbraw/zinc/41/28/28/650412828.db2.gz GJHBCOZWOXHRJG-MYSGNRETSA-N 1 0 285.391 2.025 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCN(CCOC(C)C)CC1 ZINC000876760840 650423597 /nfs/dbraw/zinc/42/35/97/650423597.db2.gz UNAHVEGWYDXKMV-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876763447 650424842 /nfs/dbraw/zinc/42/48/42/650424842.db2.gz GSBVULDISKLLIE-ZDUSSCGKSA-N 1 0 263.337 2.228 20 10 CECDRO Cc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c(O)c1 ZINC000876798826 650437655 /nfs/dbraw/zinc/43/76/55/650437655.db2.gz PSIJXIXWHNBZDC-HIFRSBDPSA-N 1 0 279.405 2.407 20 10 CECDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCCc2cccc(O)c21 ZINC000876875538 650468641 /nfs/dbraw/zinc/46/86/41/650468641.db2.gz VEFZINXNJUJDOA-MMQHEFTJSA-N 1 0 286.375 2.227 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCNC(=O)CC2)cc1C(C)C ZINC000913090557 639199824 /nfs/dbraw/zinc/19/98/24/639199824.db2.gz OQLGMVQHEKFPFK-UHFFFAOYSA-N 1 0 276.380 2.146 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(CCOC3)C1)CCC2 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Cc1cc(C)c(O)c(C[NH+]2CCN(C3CC3)CC2)c1 ZINC000164243137 639355804 /nfs/dbraw/zinc/35/58/04/639355804.db2.gz PLWOPCRIPCDKQA-UHFFFAOYSA-N 1 0 260.381 2.289 20 10 CECDRO CC[N@H+](CCC(=O)OC)Cc1cc(C)cc(C)c1O ZINC000164360449 639365365 /nfs/dbraw/zinc/36/53/65/639365365.db2.gz SJYZKWNQMYAMIB-UHFFFAOYSA-N 1 0 265.353 2.394 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164351255 639366062 /nfs/dbraw/zinc/36/60/62/639366062.db2.gz CPYQMDFHEQOAPM-ZDUSSCGKSA-N 1 0 277.364 2.394 20 10 CECDRO CCCNC(=O)CC[NH2+][C@@H](CC)c1ccccc1O ZINC000045071806 639386678 /nfs/dbraw/zinc/38/66/78/639386678.db2.gz LXTPHSHXGJGURB-ZDUSSCGKSA-N 1 0 264.369 2.349 20 10 CECDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)NCc2ccccc2)c(O)c1 ZINC000876964538 650510649 /nfs/dbraw/zinc/51/06/49/650510649.db2.gz IOYNKAMAAGDNPK-AWEZNQCLSA-N 1 0 298.386 2.495 20 10 CECDRO CCn1ccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)n1 ZINC000840839978 639558792 /nfs/dbraw/zinc/55/87/92/639558792.db2.gz CCVOSFCMYXXMHF-NSHDSACASA-N 1 0 275.352 2.468 20 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2.265 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c1O ZINC000227376199 639588088 /nfs/dbraw/zinc/58/80/88/639588088.db2.gz VWYUFMJQRUEVLT-JSGCOSHPSA-N 1 0 278.396 2.363 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)C(C)C ZINC000840933840 639591042 /nfs/dbraw/zinc/59/10/42/639591042.db2.gz IOSDNKSFDXQAAZ-OAHLLOKOSA-N 1 0 250.386 2.168 20 10 CECDRO CO[C@@]1(C[NH2+]Cc2c(O)cc(C)cc2Cl)CCOC1 ZINC000840938384 639592525 /nfs/dbraw/zinc/59/25/25/639592525.db2.gz CRKFVFZKLZKMGQ-CQSZACIVSA-N 1 0 285.771 2.249 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000840938480 639592723 /nfs/dbraw/zinc/59/27/23/639592723.db2.gz GJRBAUYTKMJQGW-MLGOLLRUSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CC[S@@](C)=O ZINC000840939043 639592905 /nfs/dbraw/zinc/59/29/05/639592905.db2.gz RPWBJCWPEKASRZ-BFUOFWGJSA-N 1 0 282.453 2.308 20 10 CECDRO COC(=O)C1(C[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840939452 639594251 /nfs/dbraw/zinc/59/42/51/639594251.db2.gz YDLGXJLYDGYFKK-UHFFFAOYSA-N 1 0 276.380 2.104 20 10 CECDRO Cc1ccc(C[NH2+]Cc2ccccc2CO)c(O)c1 ZINC000876968214 650511160 /nfs/dbraw/zinc/51/11/60/650511160.db2.gz PHDIGWSOWZZRME-UHFFFAOYSA-N 1 0 257.333 2.483 20 10 CECDRO Cc1cc(O)c(CNC2CC[NH2+]CC2)c(Cl)c1 ZINC000841028181 639620847 /nfs/dbraw/zinc/62/08/47/639620847.db2.gz CKUAJLWVXHZALH-UHFFFAOYSA-N 1 0 254.761 2.196 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000876969179 650512106 /nfs/dbraw/zinc/51/21/06/650512106.db2.gz XPLMKROWMKUVPK-DLBZAZTESA-N 1 0 269.344 2.449 20 10 CECDRO c1cncc(CNCCC[NH2+]Cc2ccc3c(c2)CCO3)c1 ZINC000841041018 639630022 /nfs/dbraw/zinc/63/00/22/639630022.db2.gz AHKMVLPVBOLSKI-UHFFFAOYSA-N 1 0 297.402 2.286 20 10 CECDRO CN(C)c1ccc(/C=C\CNC[C@H]([NH3+])C2CC2)cc1 ZINC000841051626 639633455 /nfs/dbraw/zinc/63/34/55/639633455.db2.gz SVVAYTBAEWVNOF-QGZUEGPWSA-N 1 0 259.397 2.093 20 10 CECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841058569 639635573 /nfs/dbraw/zinc/63/55/73/639635573.db2.gz SVGPKNNBZLMWIG-NSHDSACASA-N 1 0 272.751 2.416 20 10 CECDRO CCN(CC)c1ccc(CN[C@H](C)C[NH3+])cc1F ZINC000841059886 639636310 /nfs/dbraw/zinc/63/63/10/639636310.db2.gz KZVFTFQMVQWQRF-LLVKDONJSA-N 1 0 253.365 2.109 20 10 CECDRO COc1cc(Cl)cc(CN[C@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841059172 639636346 /nfs/dbraw/zinc/63/63/46/639636346.db2.gz LZRFHCVFRABZOR-CABZTGNLSA-N 1 0 284.787 2.142 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[NH2+][C@H]1C ZINC000841063149 639637899 /nfs/dbraw/zinc/63/78/99/639637899.db2.gz IWFXHLGXXHBPLH-XJKSGUPXSA-N 1 0 261.413 2.291 20 10 CECDRO CC[NH2+][C@H](C)CNC/C=C/c1ccc(N(C)C)cc1 ZINC000841064434 639639105 /nfs/dbraw/zinc/63/91/05/639639105.db2.gz QMGHBQVXCZIXFG-PSKZRQQASA-N 1 0 261.413 2.353 20 10 CECDRO C[C@@H]1[NH2+]CCC[C@@H]1NC/C=C\c1ccc(N(C)C)cc1 ZINC000841064261 639639883 /nfs/dbraw/zinc/63/98/83/639639883.db2.gz WZTGFQIWBROGBO-SCDWMNTPSA-N 1 0 273.424 2.496 20 10 CECDRO C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841063587 639639982 /nfs/dbraw/zinc/63/99/82/639639982.db2.gz LDIZLOUPQIMRMU-KCJUWKMLSA-N 1 0 299.758 2.041 20 10 CECDRO Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000841077071 639646946 /nfs/dbraw/zinc/64/69/46/639646946.db2.gz YDHXWYIZBWMPLZ-BDAKNGLRSA-N 1 0 287.201 2.288 20 10 CECDRO CCN(CC)c1ccc(CN[C@@H](C)[C@@H](C)[NH3+])cc1F ZINC000841077037 639647162 /nfs/dbraw/zinc/64/71/62/639647162.db2.gz XBRVJCXYOSSZTQ-NEPJUHHUSA-N 1 0 267.392 2.497 20 10 CECDRO CCN(CC)c1ccc(CN(C)CC[NH3+])cc1F ZINC000841100922 639658667 /nfs/dbraw/zinc/65/86/67/639658667.db2.gz OKBKWDQIAYKCEV-UHFFFAOYSA-N 1 0 253.365 2.062 20 10 CECDRO [NH3+][C@@H]1CN(Cc2ccccc2O)C[C@H]1c1cccc(F)c1 ZINC000841104697 639678840 /nfs/dbraw/zinc/67/88/40/639678840.db2.gz XPHRHHGVNBNAKO-JKSUJKDBSA-N 1 0 286.350 2.458 20 10 CECDRO COc1cccc(C[NH2+][C@]2(C)CCO[C@H]2C)c1O ZINC000230154045 639743005 /nfs/dbraw/zinc/74/30/05/639743005.db2.gz WPKFLCTWONQEEX-IINYFYTJSA-N 1 0 251.326 2.058 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCc2ccn(C)n2)c(O)c1 ZINC000230897891 639805312 /nfs/dbraw/zinc/80/53/12/639805312.db2.gz YHKSUOPWBUOHCP-LBPRGKRZSA-N 1 0 259.353 2.327 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCc2ccn(C)n2)c1 ZINC000230898152 639805354 /nfs/dbraw/zinc/80/53/54/639805354.db2.gz KEXYDCDAUNAOLL-NSHDSACASA-N 1 0 275.352 2.028 20 10 CECDRO Cc1ccc(CNc2cnn(CC[NH+](C)C)c2)c(O)c1 ZINC000877006054 650529089 /nfs/dbraw/zinc/52/90/89/650529089.db2.gz FYTKYFIALXQABN-UHFFFAOYSA-N 1 0 274.368 2.071 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000841716956 639848220 /nfs/dbraw/zinc/84/82/20/639848220.db2.gz HKAHXGUVKAOTAE-STQMWFEESA-N 1 0 292.427 2.068 20 10 CECDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(Cl)cc1O ZINC000841743564 639855613 /nfs/dbraw/zinc/85/56/13/639855613.db2.gz AYNQOOHFGFRZDN-CABZTGNLSA-N 1 0 282.771 2.365 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(Cl)cc1O ZINC000841748537 639856732 /nfs/dbraw/zinc/85/67/32/639856732.db2.gz AMMCJSMZCQNGEE-YMTOWFKASA-N 1 0 295.770 2.163 20 10 CECDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2O)C1 ZINC000841764824 639861671 /nfs/dbraw/zinc/86/16/71/639861671.db2.gz RUUDZDDBEJNAOF-AAEUAGOBSA-N 1 0 298.814 2.417 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000841944430 639909356 /nfs/dbraw/zinc/90/93/56/639909356.db2.gz HVODKUGHKXQFCS-AWEZNQCLSA-N 1 0 293.411 2.297 20 10 CECDRO C[C@@H](CCC[NH3+])NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000842000103 639917468 /nfs/dbraw/zinc/91/74/68/639917468.db2.gz UKJKVMFXPVGKLX-ZDUSSCGKSA-N 1 0 292.427 2.021 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000842008149 639918360 /nfs/dbraw/zinc/91/83/60/639918360.db2.gz WBDVXOVJNQKVSR-STQMWFEESA-N 1 0 293.411 2.440 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000842008140 639918410 /nfs/dbraw/zinc/91/84/10/639918410.db2.gz WBDVXOVJNQKVSR-CHWSQXEVSA-N 1 0 293.411 2.440 20 10 CECDRO Cc1noc(CCC[NH2+]Cc2ccc(C)cc2O)n1 ZINC000877023729 650535531 /nfs/dbraw/zinc/53/55/31/650535531.db2.gz CFPYZINWAPBTPX-UHFFFAOYSA-N 1 0 261.325 2.114 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCS(=O)(=O)C(C)(C)C ZINC000877035912 650541151 /nfs/dbraw/zinc/54/11/51/650541151.db2.gz MHOLVTINSCJMSQ-UHFFFAOYSA-N 1 0 285.409 2.004 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c(O)c1 ZINC000877045116 650545182 /nfs/dbraw/zinc/54/51/82/650545182.db2.gz QDMODHQCBQBQPY-ZFWWWQNUSA-N 1 0 290.407 2.437 20 10 CECDRO CNC(=O)c1cccc(CC[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877059022 650552961 /nfs/dbraw/zinc/55/29/61/650552961.db2.gz POERCAKDAKQZRP-UHFFFAOYSA-N 1 0 298.386 2.393 20 10 CECDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1c(O)cccc1OC ZINC000842753371 640169682 /nfs/dbraw/zinc/16/96/82/640169682.db2.gz FEYLCAFIFROCMR-NEPJUHHUSA-N 1 0 267.369 2.288 20 10 CECDRO Cc1cc(Br)c(O)c(CN2CC[NH2+]C[C@H]2C)c1 ZINC000843046879 640244446 /nfs/dbraw/zinc/24/44/46/640244446.db2.gz CYXDRDNLPQYBPJ-SNVBAGLBSA-N 1 0 299.212 2.257 20 10 CECDRO Cc1cc(Br)c(O)c(CN2CCC[NH2+]CC2)c1 ZINC000843045148 640250660 /nfs/dbraw/zinc/25/06/60/640250660.db2.gz NJNNAALMKHGUOH-UHFFFAOYSA-N 1 0 299.212 2.258 20 10 CECDRO C[NH2+][C@H]1CCN(Cc2cc(Br)cc(C)c2O)C1 ZINC000843045549 640251072 /nfs/dbraw/zinc/25/10/72/640251072.db2.gz UUHNJYGFVRKRAD-LBPRGKRZSA-N 1 0 299.212 2.257 20 10 CECDRO CCOc1ccc(CN2CCCC[C@@H]2[C@H](C)[NH3+])c(O)c1 ZINC000843045866 640251233 /nfs/dbraw/zinc/25/12/33/640251233.db2.gz LHTNHQJKIBBPQM-SWLSCSKDSA-N 1 0 278.396 2.493 20 10 CECDRO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@H](C)[NH2+]1 ZINC000843049814 640253405 /nfs/dbraw/zinc/25/34/05/640253405.db2.gz WBEUZUKDWHPSPK-YPDHSMTDSA-N 1 0 273.424 2.448 20 10 CECDRO CCOc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000843054660 640257660 /nfs/dbraw/zinc/25/76/60/640257660.db2.gz ZVEUFJWOZBTGML-KGLIPLIRSA-N 1 0 276.380 2.117 20 10 CECDRO Cc1cc(N(C)C)ccc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843055660 640258171 /nfs/dbraw/zinc/25/81/71/640258171.db2.gz MVQLKURKFHABSG-KRWDZBQOSA-N 1 0 273.424 2.387 20 10 CECDRO C[C@@H]1C[NH2+]C[C@H](C)N1C/C=C/c1ccc(N(C)C)cc1 ZINC000843063713 640264633 /nfs/dbraw/zinc/26/46/33/640264633.db2.gz AEKATMBXACLLPH-FKZIUMHTSA-N 1 0 273.424 2.448 20 10 CECDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc(Br)ccc1O ZINC000843066074 640265466 /nfs/dbraw/zinc/26/54/66/640265466.db2.gz SABLFMZKBYVBRD-AOOOYVTPSA-N 1 0 299.212 2.337 20 10 CECDRO Cc1cc(O)c(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1C ZINC000843107611 640283605 /nfs/dbraw/zinc/28/36/05/640283605.db2.gz SZNWGDBFJRXKQT-GASCZTMLSA-N 1 0 260.381 2.335 20 10 CECDRO C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)[C@H](C)C[NH2+]1 ZINC000843119731 640288612 /nfs/dbraw/zinc/28/86/12/640288612.db2.gz GDAPQARGVFIRII-JBZXTQMFSA-N 1 0 273.424 2.448 20 10 CECDRO Cc1cc(O)c(CN2CC[NH2+]C[C@](C)(F)C2)cc1C ZINC000843125454 640292044 /nfs/dbraw/zinc/29/20/44/640292044.db2.gz WZCFNYHIVNXTNG-HNNXBMFYSA-N 1 0 266.360 2.142 20 10 CECDRO C[C@]1(F)C[NH2+]CCN(Cc2cc(Cl)ccc2O)C1 ZINC000843125087 640292148 /nfs/dbraw/zinc/29/21/48/640292148.db2.gz NJMDXMNIVIQIRW-ZDUSSCGKSA-N 1 0 272.751 2.179 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c(O)c1 ZINC000843129869 640296358 /nfs/dbraw/zinc/29/63/58/640296358.db2.gz SHIIGFHECYENIL-GHMZBOCLSA-N 1 0 252.358 2.006 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCC([NH3+])CC2)c1[O-] ZINC000843354225 640400430 /nfs/dbraw/zinc/40/04/30/640400430.db2.gz ZUBDTIKBQZRJLG-UHFFFAOYSA-N 1 0 294.370 2.436 20 10 CECDRO CC[C@]1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCC[NH2+]1 ZINC000843489466 640442006 /nfs/dbraw/zinc/44/20/06/640442006.db2.gz PIRCSKKSPKCJJO-MEDUHNTESA-N 1 0 292.379 2.110 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)CCC(C)(C)[NH3+])c1 ZINC000843490064 640442361 /nfs/dbraw/zinc/44/23/61/640442361.db2.gz WZSDIFSPMJJYDI-SNVBAGLBSA-N 1 0 280.368 2.096 20 10 CECDRO COC[C@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844401310 640708724 /nfs/dbraw/zinc/70/87/24/640708724.db2.gz LGTRJEVTVPCEBL-ZDUSSCGKSA-N 1 0 266.385 2.098 20 10 CECDRO OC1CCN(c2ccc(C[N@H+]3CC=CCC3)cc2)CC1 ZINC000877167656 650606050 /nfs/dbraw/zinc/60/60/50/650606050.db2.gz FRWVQDAZDKRHKI-UHFFFAOYSA-N 1 0 272.392 2.410 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@]3(CC3(F)F)C1)[C@H](O)CO2 ZINC000844756296 640828668 /nfs/dbraw/zinc/82/86/68/640828668.db2.gz JXAHIFUOVGGOAF-OCCSQVGLSA-N 1 0 297.301 2.049 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000844902346 640860198 /nfs/dbraw/zinc/86/01/98/640860198.db2.gz PUYMREAKAGDPSU-QGZVFWFLSA-N 1 0 291.439 2.063 20 10 CECDRO CC(C)C[N@H+](C)CCCNC(=O)NCc1ccccc1O ZINC000844940717 640872068 /nfs/dbraw/zinc/87/20/68/640872068.db2.gz YANLOCAXAMGHKK-UHFFFAOYSA-N 1 0 293.411 2.169 20 10 CECDRO COc1cccc(O)c1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846008741 641149202 /nfs/dbraw/zinc/14/92/02/641149202.db2.gz OYFRPUFLNOZFJV-UHFFFAOYSA-N 1 0 277.364 2.138 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1C ZINC000846076160 641174420 /nfs/dbraw/zinc/17/44/20/641174420.db2.gz ZYXFPOCCAZEVOC-CYBMUJFWSA-N 1 0 288.391 2.110 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCCN2CCCC2=O)c1O ZINC000846138957 641197488 /nfs/dbraw/zinc/19/74/88/641197488.db2.gz YPZRHBWLRUPNIJ-GFCCVEGCSA-N 1 0 292.379 2.064 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)c2ccco2)c1O ZINC000846139739 641197875 /nfs/dbraw/zinc/19/78/75/641197875.db2.gz YNJWPJCJQUAHHA-PWSUYJOCSA-N 1 0 277.320 2.378 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(C)C2)c1O ZINC000846144557 641200484 /nfs/dbraw/zinc/20/04/84/641200484.db2.gz MJZGPDGZWXYVPV-NWDGAFQWSA-N 1 0 264.369 2.146 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)CCO)c1O ZINC000846149126 641203293 /nfs/dbraw/zinc/20/32/93/641203293.db2.gz VZZVNLFLUAZHNG-GHMZBOCLSA-N 1 0 253.342 2.070 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)c1O ZINC000846149465 641203403 /nfs/dbraw/zinc/20/34/03/641203403.db2.gz ZRCFISXTTIBQJW-OLZOCXBDSA-N 1 0 278.396 2.393 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCCNC(=O)C(C)C)c1O ZINC000846157064 641206944 /nfs/dbraw/zinc/20/69/44/641206944.db2.gz JBGKHINRQLPKEW-LBPRGKRZSA-N 1 0 294.395 2.214 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N)nc2)c1 ZINC000930216438 641207233 /nfs/dbraw/zinc/20/72/33/641207233.db2.gz HWAUSRIDDHCYEI-SNVBAGLBSA-N 1 0 273.336 2.229 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CC[C@]2(O)CCOC2)c2c1c(F)ccc2O ZINC000846191235 641217464 /nfs/dbraw/zinc/21/74/64/641217464.db2.gz AZCXFLXMQZNNOY-SIVJFFJCSA-N 1 0 295.354 2.211 20 10 CECDRO CC[C@H]([NH2+][C@@H](CO)CCF)c1ccc(C)cc1O ZINC000846209382 641223087 /nfs/dbraw/zinc/22/30/87/641223087.db2.gz QSKNJFYUWJSZHP-YPMHNXCESA-N 1 0 255.333 2.462 20 10 CECDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000877255909 650644232 /nfs/dbraw/zinc/64/42/32/650644232.db2.gz JYWIGECEQCEPBN-LLVKDONJSA-N 1 0 264.369 2.335 20 10 CECDRO C[C@@H]1[C@H](C(=O)NCc2cc(Cl)ccc2O)CC[N@@H+]1C ZINC000846476790 641312879 /nfs/dbraw/zinc/31/28/79/641312879.db2.gz OVBPNWBYTJMQMT-BXKDBHETSA-N 1 0 282.771 2.002 20 10 CECDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000068258218 641394341 /nfs/dbraw/zinc/39/43/41/641394341.db2.gz DJCHFFIWSUDVOQ-UHFFFAOYSA-N 1 0 291.439 2.491 20 10 CECDRO c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)co1 ZINC000069832978 641603970 /nfs/dbraw/zinc/60/39/70/641603970.db2.gz GHQBDEVRQBSLFU-UHFFFAOYSA-N 1 0 272.348 2.406 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC2CCCC2)c1 ZINC000182459983 641662345 /nfs/dbraw/zinc/66/23/45/641662345.db2.gz IAYVVRQAIYLRRP-LLVKDONJSA-N 1 0 292.379 2.110 20 10 CECDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccccc1O ZINC000183462851 641742990 /nfs/dbraw/zinc/74/29/90/641742990.db2.gz ABLBDVIBRBUZEC-CYBMUJFWSA-N 1 0 284.359 2.473 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)c1 ZINC000185433917 641978614 /nfs/dbraw/zinc/97/86/14/641978614.db2.gz FUOUVSUCZGVEPM-ABAIWWIYSA-N 1 0 267.369 2.458 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)cc1C ZINC000848577374 642063278 /nfs/dbraw/zinc/06/32/78/642063278.db2.gz LSTZAGKNYNZLPT-AWEZNQCLSA-N 1 0 290.363 2.082 20 10 CECDRO CCc1cccc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000848891225 642174257 /nfs/dbraw/zinc/17/42/57/642174257.db2.gz XMBITURHDSYJQO-JKSUJKDBSA-N 1 0 291.391 2.334 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](O)[C@@H](C)CC)c1O ZINC000848894405 642175904 /nfs/dbraw/zinc/17/59/04/642175904.db2.gz FAPGMTFAARWJQB-FZMZJTMJSA-N 1 0 251.370 2.451 20 10 CECDRO CCc1cccc(C[NH2+]CCN(C)CCCOC)c1O ZINC000848898715 642177721 /nfs/dbraw/zinc/17/77/21/642177721.db2.gz XQNVQKMTWAPFPR-UHFFFAOYSA-N 1 0 280.412 2.013 20 10 CECDRO CCc1cccc(C[NH2+][C@H](COC)[C@@H]2CCCO2)c1O ZINC000848907167 642183709 /nfs/dbraw/zinc/18/37/09/642183709.db2.gz JTHKVJTYKUOKLX-CABCVRRESA-N 1 0 279.380 2.238 20 10 CECDRO CCc1cccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1O ZINC000848910161 642185037 /nfs/dbraw/zinc/18/50/37/642185037.db2.gz HLEDPOZKDFLBJP-JKSUJKDBSA-N 1 0 291.391 2.334 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCC[C@H]2C(=O)OC)c1O ZINC000848913671 642187366 /nfs/dbraw/zinc/18/73/66/642187366.db2.gz BFDWUVRHCHMLBZ-KGLIPLIRSA-N 1 0 277.364 2.386 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)Cc2cnn(C)c2)c1O ZINC000848913888 642187803 /nfs/dbraw/zinc/18/78/03/642187803.db2.gz AUCRPYSCNCQVHI-LBPRGKRZSA-N 1 0 273.380 2.409 20 10 CECDRO CCc1cccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1O ZINC000848918974 642192159 /nfs/dbraw/zinc/19/21/59/642192159.db2.gz CQKIJYVZLOKILL-QGZVFWFLSA-N 1 0 293.407 2.222 20 10 CECDRO CCN(CC)c1ccc(CNC(=[NH2+])N2CCC2)cc1F ZINC000849006320 642223026 /nfs/dbraw/zinc/22/30/26/642223026.db2.gz WBUVMTINZWTCGL-UHFFFAOYSA-N 1 0 278.375 2.402 20 10 CECDRO CC(C)COC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921587106 642251806 /nfs/dbraw/zinc/25/18/06/642251806.db2.gz POVOYJSZKKZGAL-MRXNPFEDSA-N 1 0 293.407 2.135 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000877487084 650745437 /nfs/dbraw/zinc/74/54/37/650745437.db2.gz UQZVMEZTZKNZEF-JJRVBVJISA-N 1 0 291.391 2.469 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000877499929 650752571 /nfs/dbraw/zinc/75/25/71/650752571.db2.gz MIIJJMBUCOBOPV-CYBMUJFWSA-N 1 0 297.420 2.100 20 10 CECDRO Cc1ccc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)c(O)c1 ZINC000877524666 650765805 /nfs/dbraw/zinc/76/58/05/650765805.db2.gz BHSVJSINLLAIGT-INIZCTEOSA-N 1 0 292.423 2.243 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921764161 642593889 /nfs/dbraw/zinc/59/38/89/642593889.db2.gz GNBZQMWWSUCUDL-IAQYHMDHSA-N 1 0 281.421 2.214 20 10 CECDRO COC[C@@H](CC[NH2+]C/C=C/c1ccc(N(C)C)cc1)OC ZINC000850345592 642674034 /nfs/dbraw/zinc/67/40/34/642674034.db2.gz FQQFZWPKXTZDDZ-FUTAKVPZSA-N 1 0 292.423 2.407 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccncc3)C2)cc1 ZINC000850345785 642674120 /nfs/dbraw/zinc/67/41/20/642674120.db2.gz KKJKWWGHPNGAIV-OAHLLOKOSA-N 1 0 283.375 2.459 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CO[C@@H](C)C3)C2)cc1 ZINC000850347757 642675346 /nfs/dbraw/zinc/67/53/46/642675346.db2.gz WTDSCJJIGNQLBW-MELADBBJSA-N 1 0 276.380 2.041 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3nc(C)c[nH]3)C2)cc1 ZINC000850346466 642675385 /nfs/dbraw/zinc/67/53/85/642675385.db2.gz GEVUXBZNYPTOJF-ZDUSSCGKSA-N 1 0 286.379 2.095 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCO[C@H](C)C3)C2)cc1 ZINC000850347603 642675632 /nfs/dbraw/zinc/67/56/32/642675632.db2.gz UOUGRPNIWGMQHL-KFWWJZLASA-N 1 0 290.407 2.431 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)cc1F ZINC000850365083 642682950 /nfs/dbraw/zinc/68/29/50/642682950.db2.gz AUSHMXSLRAOSSS-CYBMUJFWSA-N 1 0 288.313 2.406 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1C ZINC000850367779 642684687 /nfs/dbraw/zinc/68/46/87/642684687.db2.gz DHBRCFAUTKZXDR-TZMCWYRMSA-N 1 0 297.420 2.059 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000850388377 642695619 /nfs/dbraw/zinc/69/56/19/642695619.db2.gz LWLJQVQDBWDURA-HUUCEWRRSA-N 1 0 277.364 2.184 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000850388095 642695697 /nfs/dbraw/zinc/69/56/97/642695697.db2.gz HIQRAKPBNUAVCY-OLZOCXBDSA-N 1 0 267.756 2.439 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000850388378 642695725 /nfs/dbraw/zinc/69/57/25/642695725.db2.gz LWLJQVQDBWDURA-LSDHHAIUSA-N 1 0 277.364 2.184 20 10 CECDRO c1cnc(NCC[NH2+]Cc2ccc3c(c2)CCCO3)cn1 ZINC000921838399 642722472 /nfs/dbraw/zinc/72/24/72/642722472.db2.gz JOQAMPVOGAKZSG-UHFFFAOYSA-N 1 0 284.363 2.003 20 10 CECDRO C[C@H]([NH2+][C@H]1CCNC1=O)c1ccc(N2CCCCC2)cc1 ZINC000850482171 642727863 /nfs/dbraw/zinc/72/78/63/642727863.db2.gz QFJQABQIZMKRAH-BBRMVZONSA-N 1 0 287.407 2.216 20 10 CECDRO CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)c1ccccc1O ZINC000850485158 642728652 /nfs/dbraw/zinc/72/86/52/642728652.db2.gz YCDBVEORJZBNSN-INWMFGNUSA-N 1 0 279.380 2.484 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ncc[nH]3)C2)cc1 ZINC000850489736 642730936 /nfs/dbraw/zinc/73/09/36/642730936.db2.gz WNNZYBOHZUTBLZ-QWHCGFSZSA-N 1 0 286.379 2.348 20 10 CECDRO CC[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000850529755 642743343 /nfs/dbraw/zinc/74/33/43/642743343.db2.gz SRANUMIRXQFOQA-FXPVBKGRSA-N 1 0 253.317 2.440 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)CC2CC2)c1 ZINC000850544574 642747281 /nfs/dbraw/zinc/74/72/81/642747281.db2.gz IHGQLBOLBWKUMN-DGCLKSJQSA-N 1 0 279.380 2.460 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000877572634 650795133 /nfs/dbraw/zinc/79/51/33/650795133.db2.gz RLQJOGLCEZSKME-MFKMUULPSA-N 1 0 289.297 2.446 20 10 CECDRO CC(C)N(C(=O)C[N@H+](C)Cc1ccccc1O)C(C)C ZINC000109773393 642925960 /nfs/dbraw/zinc/92/59/60/642925960.db2.gz QULDTGKWMLIDCT-UHFFFAOYSA-N 1 0 278.396 2.469 20 10 CECDRO CO[C@H](C[N@H+](C)Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000851720754 643125865 /nfs/dbraw/zinc/12/58/65/643125865.db2.gz RYNNLZFTXZXCGT-NVXWUHKLSA-N 1 0 292.423 2.236 20 10 CECDRO CC[C@@H](CN1CCOCC1)[NH2+]Cc1cc(Cl)ccc1O ZINC000922589028 643144497 /nfs/dbraw/zinc/14/44/97/643144497.db2.gz FYQBEDRUZAROSF-AWEZNQCLSA-N 1 0 298.814 2.246 20 10 CECDRO CC(C)O[C@]1(C[NH2+]Cc2ccc(N(C)C)cc2)CCOC1 ZINC000922610167 643161333 /nfs/dbraw/zinc/16/13/33/643161333.db2.gz QAIYKXOPUOLMNA-KRWDZBQOSA-N 1 0 292.423 2.426 20 10 CECDRO COc1cccc(C[NH2+]C[C@]2(OC(C)C)CCOC2)c1O ZINC000922611730 643162219 /nfs/dbraw/zinc/16/22/19/643162219.db2.gz OTWGRATXKFKUPV-MRXNPFEDSA-N 1 0 295.379 2.075 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000773734253 643175504 /nfs/dbraw/zinc/17/55/04/643175504.db2.gz NTRNAJZHAQJOEL-OAHLLOKOSA-N 1 0 262.397 2.347 20 10 CECDRO Oc1ccccc1C[N@H+](CCc1c[nH]nn1)Cc1ccco1 ZINC000851841362 643187236 /nfs/dbraw/zinc/18/72/36/643187236.db2.gz PLHGBDFQAPJHFT-UHFFFAOYSA-N 1 0 298.346 2.348 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000922696155 643209137 /nfs/dbraw/zinc/20/91/37/643209137.db2.gz IZWOUTISMIFPHI-HZPDHXFCSA-N 1 0 277.364 2.450 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CCC(=O)O1)c1ccc(N(C)C)cc1 ZINC000851950331 643240157 /nfs/dbraw/zinc/24/01/57/643240157.db2.gz NRAHCZRURIDFLW-BXUZGUMPSA-N 1 0 262.353 2.109 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2cc(OC)no2)c1O ZINC000877635243 650826490 /nfs/dbraw/zinc/82/64/90/650826490.db2.gz KDILJGGIPHMXJJ-UHFFFAOYSA-N 1 0 278.308 2.077 20 10 CECDRO Cc1ccc(C[NH2+][C@](C)(CO)c2cccc(O)c2)c(O)c1 ZINC000877648224 650831993 /nfs/dbraw/zinc/83/19/93/650831993.db2.gz MGWWEUVNGZAUFZ-QGZVFWFLSA-N 1 0 287.359 2.404 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1O ZINC000852500646 643446072 /nfs/dbraw/zinc/44/60/72/643446072.db2.gz BZYHNMCNSOTHLM-RTUWITSCSA-N 1 0 295.354 2.183 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCO[C@@H]2CCOC2)cc1 ZINC000922936528 643463489 /nfs/dbraw/zinc/46/34/89/643463489.db2.gz IPKQYVKTAGKACB-REMYHPOOSA-N 1 0 290.407 2.161 20 10 CECDRO COC[C@H](C[NH2+]Cc1cccc(OC)c1O)C(C)C ZINC000922949527 643474704 /nfs/dbraw/zinc/47/47/04/643474704.db2.gz IKPWKURNUUUTRY-ZDUSSCGKSA-N 1 0 267.369 2.409 20 10 CECDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000852805283 643559257 /nfs/dbraw/zinc/55/92/57/643559257.db2.gz VDXSXAFYLKZVDO-CQSZACIVSA-N 1 0 295.402 2.286 20 10 CECDRO Cc1cc(CN2CC[NH2+]C[C@H]2C(F)F)ccc1N(C)C ZINC000923351562 643677359 /nfs/dbraw/zinc/67/73/59/643677359.db2.gz JYAKXDCKMHJUGK-AWEZNQCLSA-N 1 0 283.366 2.100 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1C ZINC000853586288 643823646 /nfs/dbraw/zinc/82/36/46/643823646.db2.gz OOINFKKSUDYMHB-DZGCQCFKSA-N 1 0 261.365 2.477 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1C ZINC000853586290 643824121 /nfs/dbraw/zinc/82/41/21/643824121.db2.gz OOINFKKSUDYMHB-HIFRSBDPSA-N 1 0 261.365 2.477 20 10 CECDRO COC(=O)C1CC([NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000877723537 650871750 /nfs/dbraw/zinc/87/17/50/650871750.db2.gz LLTFOHOETZZGLL-UHFFFAOYSA-N 1 0 276.380 2.102 20 10 CECDRO COc1cccc(CN2CC[N@H+](C)[C@@H](C(C)C)C2)c1O ZINC000877750161 650893207 /nfs/dbraw/zinc/89/32/07/650893207.db2.gz BRVJGBSNIXUKNB-CQSZACIVSA-N 1 0 278.396 2.173 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)cc1F ZINC000877752660 650896250 /nfs/dbraw/zinc/89/62/50/650896250.db2.gz HAPHFPTUGZKVOZ-CYBMUJFWSA-N 1 0 280.387 2.485 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(O)c1 ZINC000839187761 644184178 /nfs/dbraw/zinc/18/41/78/644184178.db2.gz NQPZXBXFZYUORA-HIFRSBDPSA-N 1 0 277.364 2.402 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1O ZINC000877755950 650899107 /nfs/dbraw/zinc/89/91/07/650899107.db2.gz URGYJYUCXKWVKR-JHJVBQTASA-N 1 0 297.420 2.399 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccccc1O ZINC000877755430 650899270 /nfs/dbraw/zinc/89/92/70/650899270.db2.gz AXYFYPUTRJKCJI-NWDGAFQWSA-N 1 0 297.420 2.256 20 10 CECDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2O)cn1C ZINC000877755835 650899466 /nfs/dbraw/zinc/89/94/66/650899466.db2.gz OIHNQQSAUJVGSN-LLVKDONJSA-N 1 0 288.347 2.368 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCO2)cc1F ZINC000113312834 644332522 /nfs/dbraw/zinc/33/25/22/644332522.db2.gz YYZAQQSDPARTQT-LBPRGKRZSA-N 1 0 252.333 2.160 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)c1 ZINC000877797300 650913793 /nfs/dbraw/zinc/91/37/93/650913793.db2.gz SSLMTWBBXRJRHH-ZDUSSCGKSA-N 1 0 279.380 2.384 20 10 CECDRO COC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C(C)C ZINC000754386094 644367083 /nfs/dbraw/zinc/36/70/83/644367083.db2.gz UEIWGPRYVLYGJY-CQSZACIVSA-N 1 0 283.343 2.495 20 10 CECDRO Cc1ccc(C[NH2+]CCC[C@H]2CCOC2=O)c(O)c1 ZINC000877806750 650916691 /nfs/dbraw/zinc/91/66/91/650916691.db2.gz LZEJWJVXUOWXMP-LBPRGKRZSA-N 1 0 263.337 2.134 20 10 CECDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2c(O)cccc2OC)C1 ZINC000877829423 650924771 /nfs/dbraw/zinc/92/47/71/650924771.db2.gz TUMDPDMIMSRCJY-LLVKDONJSA-N 1 0 293.363 2.032 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)O)c2c1c(F)ccc2O ZINC000756564905 644667492 /nfs/dbraw/zinc/66/74/92/644667492.db2.gz TZSJZCFFMCNYGZ-SCZZXKLOSA-N 1 0 253.317 2.440 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2c1c(F)ccc2O ZINC000756595490 644673655 /nfs/dbraw/zinc/67/36/55/644673655.db2.gz WCEWIJUZSCBAFR-FOGDFJRCSA-N 1 0 292.354 2.290 20 10 CECDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756731954 644687622 /nfs/dbraw/zinc/68/76/22/644687622.db2.gz DTKNRUWXINVLMI-OLZOCXBDSA-N 1 0 267.369 2.403 20 10 CECDRO C[C@H]([NH2+][C@H](CCO)C1CC1)c1cc(F)ccc1O ZINC000756740712 644688597 /nfs/dbraw/zinc/68/85/97/644688597.db2.gz SSJFWUKMVCHBSS-TVQRCGJNSA-N 1 0 253.317 2.343 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1C ZINC000857061107 644805915 /nfs/dbraw/zinc/80/59/15/644805915.db2.gz KANXBYMLXYHMRA-IAQYHMDHSA-N 1 0 263.381 2.459 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000857069004 644810204 /nfs/dbraw/zinc/81/02/04/644810204.db2.gz LHCQLOZRBNIDCS-CYBMUJFWSA-N 1 0 282.771 2.064 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CCCOCCO)c2c1c(F)ccc2O ZINC000757637683 644828524 /nfs/dbraw/zinc/82/85/24/644828524.db2.gz MHYVOTFSJPCASI-JQWIXIFHSA-N 1 0 283.343 2.068 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)cc1C ZINC000757911665 644856199 /nfs/dbraw/zinc/85/61/99/644856199.db2.gz YTZZXKQTYSNGSH-ZIAGYGMSSA-N 1 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/nfs/dbraw/zinc/20/70/35/645207035.db2.gz JTOREOPWOQPTOA-WFASDCNBSA-N 1 0 293.411 2.202 20 10 CECDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000765797181 645810964 /nfs/dbraw/zinc/81/09/64/645810964.db2.gz QEBOBIMSHCLSKI-UONOGXRCSA-N 1 0 276.380 2.008 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](CC)CC(=O)N(C)C)cc1 ZINC000768309058 646106417 /nfs/dbraw/zinc/10/64/17/646106417.db2.gz XHMAHYJOFLCTFL-UHFFFAOYSA-N 1 0 291.439 2.443 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CC1)[C@@H](O)CO2 ZINC000768452752 646125683 /nfs/dbraw/zinc/12/56/83/646125683.db2.gz SJDYXEHMSAXQGJ-HIFRSBDPSA-N 1 0 275.348 2.192 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000769451867 646269031 /nfs/dbraw/zinc/26/90/31/646269031.db2.gz NWQDOJBGISCRIS-NWDGAFQWSA-N 1 0 265.353 2.136 20 10 CECDRO CCOc1ccc(C[NH2+]CC2(CO)CCCC2)c(O)c1 ZINC000769935718 646336336 /nfs/dbraw/zinc/33/63/36/646336336.db2.gz PRWYCDQNYXYLJD-UHFFFAOYSA-N 1 0 279.380 2.433 20 10 CECDRO C[C@H](CCO)[N@H+](C)Cc1c(O)cccc1Br ZINC000862402514 646441414 /nfs/dbraw/zinc/44/14/14/646441414.db2.gz OOPURCZRBXVFNR-SECBINFHSA-N 1 0 288.185 2.357 20 10 CECDRO CN(C)c1cc(F)c(C[N@H+](C)C2(CO)CCC2)cc1F ZINC000862417970 646451954 /nfs/dbraw/zinc/45/19/54/646451954.db2.gz JRQBRMIAFMPZPG-UHFFFAOYSA-N 1 0 284.350 2.378 20 10 CECDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)C1=CC(=O)CS1 ZINC000863032082 646619475 /nfs/dbraw/zinc/61/94/75/646619475.db2.gz LFOMXJOXLWCQNS-NSHDSACASA-N 1 0 280.393 2.200 20 10 CECDRO COC[C@@]1(C)C[N@H+](Cc2cc(C)cc(C)c2O)CCO1 ZINC000863340400 646707622 /nfs/dbraw/zinc/70/76/22/646707622.db2.gz KOPDNFJCFVSRQJ-MRXNPFEDSA-N 1 0 279.380 2.246 20 10 CECDRO CCOc1ccc(O)c(CN[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863484764 646740660 /nfs/dbraw/zinc/74/06/60/646740660.db2.gz LVAVVWFNKCRKCP-YPMHNXCESA-N 1 0 264.369 2.021 20 10 CECDRO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)ccc1O ZINC000863545729 646753088 /nfs/dbraw/zinc/75/30/88/646753088.db2.gz GZHHHVJMLBJENS-JFGNBEQYSA-N 1 0 252.333 2.322 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000863643619 646776322 /nfs/dbraw/zinc/77/63/22/646776322.db2.gz QBYVIHAOROFZJH-INIZCTEOSA-N 1 0 273.424 2.435 20 10 CECDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000774618129 646868289 /nfs/dbraw/zinc/86/82/89/646868289.db2.gz JTMYCPUDRLTBPU-PSOPSSQASA-N 1 0 277.364 2.438 20 10 CECDRO COCC[C@@]1([NH2+]Cc2cc(C)c(C)cc2O)CCOC1 ZINC000775035241 646917886 /nfs/dbraw/zinc/91/78/86/646917886.db2.gz YAQQGKAVBBQDOE-MRXNPFEDSA-N 1 0 279.380 2.294 20 10 CECDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000775642835 646975436 /nfs/dbraw/zinc/97/54/36/646975436.db2.gz PCYLUEANKFRXMR-DGCLKSJQSA-N 1 0 295.379 2.409 20 10 CECDRO CSC[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000778149016 647205536 /nfs/dbraw/zinc/20/55/36/647205536.db2.gz BVXJPWFCYWSGNH-FZMZJTMJSA-N 1 0 268.426 2.127 20 10 CECDRO CCOC[C@H](C)[NH2+]Cc1ccc(OCC)cc1O ZINC000778199427 647208862 /nfs/dbraw/zinc/20/88/62/647208862.db2.gz YSNZQMUOTDPSDI-NSHDSACASA-N 1 0 253.342 2.306 20 10 CECDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc(F)ccc2O)C[C@@H]1C ZINC000779018341 647282250 /nfs/dbraw/zinc/28/22/50/647282250.db2.gz FUKDTVGASGXGEA-NWDGAFQWSA-N 1 0 266.360 2.446 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)cc1C ZINC000865712243 647434998 /nfs/dbraw/zinc/43/49/98/647434998.db2.gz YKZVYGXPLAGWPT-SKDRFNHKSA-N 1 0 277.286 2.405 20 10 CECDRO Cc1cc(Br)c(O)c(CN2CC[NH+](C)CC2)c1 ZINC000781902014 647570367 /nfs/dbraw/zinc/57/03/67/647570367.db2.gz XZNWCRIKHXSYJY-UHFFFAOYSA-N 1 0 299.212 2.211 20 10 CECDRO C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000782776303 647656416 /nfs/dbraw/zinc/65/64/16/647656416.db2.gz AMDDLBCKMUFJPN-SUMWQHHRSA-N 1 0 292.423 2.191 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c(O)c1 ZINC000866412905 647778858 /nfs/dbraw/zinc/77/88/58/647778858.db2.gz NSIGRNMUIKHKCH-KBPBESRZSA-N 1 0 292.423 2.196 20 10 CECDRO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc2c(cc1O)CCCC2 ZINC000866498423 647807424 /nfs/dbraw/zinc/80/74/24/647807424.db2.gz WGRYZLDHSOXJCM-IUIKQTSFSA-N 1 0 291.391 2.071 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H]([NH3+])C[C@H]2C)c1O ZINC000866684005 647867555 /nfs/dbraw/zinc/86/75/55/647867555.db2.gz UIXCNYRFRFXZPS-PELKAZGASA-N 1 0 282.771 2.170 20 10 CECDRO CCOc1ccc(C[N@H+]2C[C@H](COC)O[C@@H](C)C2)c(O)c1 ZINC000784666887 647873590 /nfs/dbraw/zinc/87/35/90/647873590.db2.gz CASHMWALOQFWDR-SWLSCSKDSA-N 1 0 295.379 2.027 20 10 CECDRO COC[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000784668561 647873640 /nfs/dbraw/zinc/87/36/40/647873640.db2.gz QLZGUCKJTKYALC-JSGCOSHPSA-N 1 0 296.386 2.127 20 10 CECDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000785987792 647975682 /nfs/dbraw/zinc/97/56/82/647975682.db2.gz IMVHDZDISARFTL-WZRBSPASSA-N 1 0 293.363 2.102 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1O ZINC000785988843 647975761 /nfs/dbraw/zinc/97/57/61/647975761.db2.gz PLKQVJOIMRGUDQ-OUCADQQQSA-N 1 0 279.380 2.382 20 10 CECDRO CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1ccccc1O ZINC000868014015 648021098 /nfs/dbraw/zinc/02/10/98/648021098.db2.gz TYVDBLKXAJAOJB-ZDUSSCGKSA-N 1 0 293.411 2.484 20 10 CECDRO CCn1cccc(C[NH2+]Cc2cc(C)c(C)cc2O)c1=O ZINC000788523821 648198586 /nfs/dbraw/zinc/19/85/86/648198586.db2.gz GYALUTIXOOIWAQ-UHFFFAOYSA-N 1 0 286.375 2.480 20 10 CECDRO Oc1cccnc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000793257894 648732796 /nfs/dbraw/zinc/73/27/96/648732796.db2.gz YMLOVXIBRYMDBS-UHFFFAOYSA-N 1 0 256.305 2.012 20 10 CECDRO CCCOc1ccc(C[NH2+]CCS(=O)(=O)CC)cc1C ZINC000873038366 649539115 /nfs/dbraw/zinc/53/91/15/649539115.db2.gz PLXWPXQVGGXZDU-UHFFFAOYSA-N 1 0 299.436 2.308 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1C ZINC000873097563 649558219 /nfs/dbraw/zinc/55/82/19/649558219.db2.gz CJLRLNUYMAJAHI-INIZCTEOSA-N 1 0 279.380 2.025 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873155919 649573558 /nfs/dbraw/zinc/57/35/58/649573558.db2.gz IJHIKVCNXZYUGX-HUBLWGQQSA-N 1 0 277.364 2.448 20 10 CECDRO CC[C@H]1COCCN1CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000873189473 649583130 /nfs/dbraw/zinc/58/31/30/649583130.db2.gz UAZUNONHKPSUQB-INIZCTEOSA-N 1 0 292.423 2.204 20 10 CECDRO COc1ccc(C[NH2+]Cc2cccc(OC)c2O)cn1 ZINC000020186195 649735108 /nfs/dbraw/zinc/73/51/08/649735108.db2.gz JGWVPTVMPOOGCF-UHFFFAOYSA-N 1 0 274.320 2.094 20 10 CECDRO C[C@@H]([NH2+]CC(=O)N1CCCCCC1)c1ccccc1O ZINC000879647761 651335063 /nfs/dbraw/zinc/33/50/63/651335063.db2.gz KHYRAVCADGDWJI-CYBMUJFWSA-N 1 0 276.380 2.445 20 10 CECDRO C[C@H]([NH2+]CC(=O)N1CCCC[C@H]1C)c1ccccc1O ZINC000879651992 651335915 /nfs/dbraw/zinc/33/59/15/651335915.db2.gz SJVNHSIQWOFTHG-OLZOCXBDSA-N 1 0 276.380 2.444 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C)cc1 ZINC000880137163 651389747 /nfs/dbraw/zinc/38/97/47/651389747.db2.gz YZSXKGMMSLKUFS-IRXDYDNUSA-N 1 0 273.424 2.421 20 10 CECDRO C[C@H](NC(=O)C[N@H+](C)C1CCC1)c1ccccc1O ZINC000881441439 651724231 /nfs/dbraw/zinc/72/42/31/651724231.db2.gz WWJIPLRCCJQLKM-NSHDSACASA-N 1 0 262.353 2.054 20 10 CECDRO C[C@H](CO)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000129318453 651908735 /nfs/dbraw/zinc/90/87/35/651908735.db2.gz LOSSNBHOFXNTEN-VXGBXAGGSA-N 1 0 298.814 2.208 20 10 CECDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000130483100 652269233 /nfs/dbraw/zinc/26/92/33/652269233.db2.gz MWRRWUKJODOJHK-CYBMUJFWSA-N 1 0 281.375 2.025 20 10 CECDRO CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000882942497 652281115 /nfs/dbraw/zinc/28/11/15/652281115.db2.gz FFWIXSCLHNCOHH-LLVKDONJSA-N 1 0 284.350 2.492 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1 ZINC000883367518 652446036 /nfs/dbraw/zinc/44/60/36/652446036.db2.gz RAVSZWANCHKLPX-SNVBAGLBSA-N 1 0 299.239 2.349 20 10 CECDRO C[NH2+]C[C@@H]1CCCN1Cc1c(O)cccc1Cl ZINC000133026958 652586682 /nfs/dbraw/zinc/58/66/82/652586682.db2.gz YWMFUAICMHMNGK-JTQLQIEISA-N 1 0 254.761 2.229 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H](C)C(=O)NC(C)(C)C)c1 ZINC000134653153 652868563 /nfs/dbraw/zinc/86/85/63/652868563.db2.gz KCAPLWBNGNSAGG-LLVKDONJSA-N 1 0 264.369 2.093 20 10 CECDRO C[C@H](CO)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000134913936 652887223 /nfs/dbraw/zinc/88/72/23/652887223.db2.gz SHKGBUCMWJMMOY-RNFRBKRXSA-N 1 0 292.148 2.325 20 10 CECDRO C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000134913911 652887508 /nfs/dbraw/zinc/88/75/08/652887508.db2.gz SHKGBUCMWJMMOY-RQJHMYQMSA-N 1 0 292.148 2.325 20 10 CECDRO CC[C@H]([NH2+]CC(=O)N(CC)CC)c1ccccc1O ZINC000135734443 652984400 /nfs/dbraw/zinc/98/44/00/652984400.db2.gz BADVZWVISFHGCR-ZDUSSCGKSA-N 1 0 264.369 2.301 20 10 CECDRO CC1CCC([NH2+]CC(=O)c2ccc(O)c(O)c2)CC1 ZINC001168203159 806411182 /nfs/dbraw/zinc/41/11/82/806411182.db2.gz FTLKDBOTZLKCKI-UHFFFAOYSA-N 1 0 263.337 2.449 20 10 CECDRO Oc1cc(F)c(F)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001142520627 806614744 /nfs/dbraw/zinc/61/47/44/806614744.db2.gz MOELASSVUCZFNA-GFCCVEGCSA-N 1 0 282.334 2.341 20 10 CECDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000724165902 803057920 /nfs/dbraw/zinc/05/79/20/803057920.db2.gz ZUWQLTZWAYVZJD-KGLIPLIRSA-N 1 0 281.327 2.343 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1O ZINC000724814772 803302088 /nfs/dbraw/zinc/30/20/88/803302088.db2.gz UVCFCKGWDAEKKX-OCCSQVGLSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](CO)CC2)c1O ZINC001140741946 803511509 /nfs/dbraw/zinc/51/15/09/803511509.db2.gz DUXRZXFVVPXPRN-LBPRGKRZSA-N 1 0 265.353 2.001 20 10 CECDRO Cc1c(O)ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c1O ZINC001140746256 803513701 /nfs/dbraw/zinc/51/37/01/803513701.db2.gz XGWVDSSHQHOUKT-HNNXBMFYSA-N 1 0 290.407 2.466 20 10 CECDRO COC[C@@H](CC[NH2+][C@@H](C)c1cc(C)ccc1O)OC ZINC000694308450 803529647 /nfs/dbraw/zinc/52/96/47/803529647.db2.gz HTZMDIZDVLUYKO-QWHCGFSZSA-N 1 0 267.369 2.403 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC2(C)C)cc1C ZINC001125807957 803539015 /nfs/dbraw/zinc/53/90/15/803539015.db2.gz TYZLUODSNHHTGK-CQSZACIVSA-N 1 0 290.407 2.256 20 10 CECDRO CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1ccccc1O ZINC000037138361 815026485 /nfs/dbraw/zinc/02/64/85/815026485.db2.gz ITTVTAZEGLOACK-OAHLLOKOSA-N 1 0 276.380 2.444 20 10 CECDRO CCn1nncc1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001118883946 815052782 /nfs/dbraw/zinc/05/27/82/815052782.db2.gz OGMCJGDGBLVBRZ-UHFFFAOYSA-N 1 0 285.395 2.188 20 10 CECDRO COc1cc(N(C)C)ccc1C[NH+]1CC([C@H](C)OC)C1 ZINC001231857366 807194543 /nfs/dbraw/zinc/19/45/43/807194543.db2.gz HXPIVUPKKBNNPW-LBPRGKRZSA-N 1 0 278.396 2.228 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@](C)(O)C(F)F)c1 ZINC000698571509 807247375 /nfs/dbraw/zinc/24/73/75/807247375.db2.gz UQCFHWCHGJOEHP-SDBXPKJASA-N 1 0 275.295 2.068 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2[nH]nc(C)c2C)c1 ZINC000716446862 815124814 /nfs/dbraw/zinc/12/48/14/815124814.db2.gz MEVYRIYCSFHMBG-UHFFFAOYSA-N 1 0 261.325 2.031 20 10 CECDRO O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1Cc2cccc(O)c2C1 ZINC000913726564 807518423 /nfs/dbraw/zinc/51/84/23/807518423.db2.gz RNZPJNCBNDHOJV-ZFWWWQNUSA-N 1 0 286.375 2.251 20 10 CECDRO Cc1n[nH]c(C[NH2+]Cc2ccc3c(c2)CCO3)c1C ZINC000716494109 815132911 /nfs/dbraw/zinc/13/29/11/815132911.db2.gz RPCLIBOSWLQUDX-UHFFFAOYSA-N 1 0 257.337 2.251 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC2(C1)CCCC[NH2+]2 ZINC001235922239 807893759 /nfs/dbraw/zinc/89/37/59/807893759.db2.gz DGZMBRZAWNDQIG-UHFFFAOYSA-N 1 0 266.772 2.374 20 10 CECDRO [NH3+][C@]12C[C@H]1CN(Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001236026032 807936698 /nfs/dbraw/zinc/93/66/98/807936698.db2.gz MDFFYXAHOPLBOO-UFBFGSQYSA-N 1 0 273.163 2.232 20 10 CECDRO COCC(COC)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000388404615 807955504 /nfs/dbraw/zinc/95/55/04/807955504.db2.gz RFKCBCJZTADWPR-NSHDSACASA-N 1 0 253.342 2.013 20 10 CECDRO Cc1cc(O)c(CN2CC[C@@H]([NH3+])[C@H]2C)cc1Br ZINC001205201857 808524853 /nfs/dbraw/zinc/52/48/53/808524853.db2.gz NTZBEESKPRISJL-BXKDBHETSA-N 1 0 299.212 2.385 20 10 CECDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172021340 815269522 /nfs/dbraw/zinc/26/95/22/815269522.db2.gz DCBZMUPJRKOTKY-OAHLLOKOSA-N 1 0 288.391 2.368 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](CCF)C2)c1 ZINC000700591124 809326515 /nfs/dbraw/zinc/32/65/15/809326515.db2.gz PMMCBLPYDLWRLA-ZDUSSCGKSA-N 1 0 253.317 2.261 20 10 CECDRO CC1(O)CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000703541819 809660870 /nfs/dbraw/zinc/66/08/70/809660870.db2.gz BHJYUMDUOMMXIE-UHFFFAOYSA-N 1 0 261.365 2.405 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000704370981 809731462 /nfs/dbraw/zinc/73/14/62/809731462.db2.gz JFLJFPXRXNYNAY-DOMZBBRYSA-N 1 0 275.396 2.024 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H](C(C)C)C2)c1 ZINC000709028854 809939484 /nfs/dbraw/zinc/93/94/84/809939484.db2.gz RFWHKJFJOPEEKS-HNNXBMFYSA-N 1 0 265.353 2.258 20 10 CECDRO CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708504558 809944417 /nfs/dbraw/zinc/94/44/17/809944417.db2.gz RXVJPUBEMOCDFU-SNVBAGLBSA-N 1 0 270.323 2.102 20 10 CECDRO C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708501075 809944725 /nfs/dbraw/zinc/94/47/25/809944725.db2.gz ASMOQKSFEYDFNS-JTQLQIEISA-N 1 0 270.323 2.102 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](C)C[C@H](C)O)c1O ZINC000709492902 809962257 /nfs/dbraw/zinc/96/22/57/809962257.db2.gz VSGHLGCSONIPOC-RYUDHWBXSA-N 1 0 251.370 2.451 20 10 CECDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000710990977 810010146 /nfs/dbraw/zinc/01/01/46/810010146.db2.gz VIYGBVYPZFPTBW-BBRMVZONSA-N 1 0 260.381 2.411 20 10 CECDRO C[NH2+]CCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001121990151 815374915 /nfs/dbraw/zinc/37/49/15/815374915.db2.gz BPGKAMKMQSWCRD-UHFFFAOYSA-N 1 0 289.423 2.293 20 10 CECDRO Cc1c[nH]nc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000715446483 811021507 /nfs/dbraw/zinc/02/15/07/811021507.db2.gz MICJCXGJWUWLOX-UHFFFAOYSA-N 1 0 256.353 2.130 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2O)C1 ZINC001169511546 811546692 /nfs/dbraw/zinc/54/66/92/811546692.db2.gz WPAFWWAGMIGVPH-MRXNPFEDSA-N 1 0 284.359 2.256 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000691424633 811646301 /nfs/dbraw/zinc/64/63/01/811646301.db2.gz WANOPAFDKRYCHQ-GXTWGEPZSA-N 1 0 251.301 2.188 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1O)[C@H](C)CO ZINC000691455882 811861618 /nfs/dbraw/zinc/86/16/18/811861618.db2.gz RTDQSOCOTUHEFF-RKDXNWHRSA-N 1 0 288.185 2.261 20 10 CECDRO Oc1ccc(CNc2cccc3c2C[NH2+]CC3)cc1O ZINC001169994736 811873288 /nfs/dbraw/zinc/87/32/88/811873288.db2.gz GGAFHBCNVFUOFU-UHFFFAOYSA-N 1 0 270.332 2.356 20 10 CECDRO CCc1cccc(C[NH2+]CCN(C)C(C)C)c1O ZINC000691483727 811924463 /nfs/dbraw/zinc/92/44/63/811924463.db2.gz QXNVUJDXNLLPSO-UHFFFAOYSA-N 1 0 250.386 2.384 20 10 CECDRO C[C@H](CCCO)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000384408148 813119535 /nfs/dbraw/zinc/11/95/35/813119535.db2.gz WASURQQSAYXJGG-OAHLLOKOSA-N 1 0 292.423 2.021 20 10 CECDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@H]1CCOC1 ZINC000386477730 813168393 /nfs/dbraw/zinc/16/83/93/813168393.db2.gz VQGJTULNEVUCME-LBPRGKRZSA-N 1 0 251.326 2.012 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(Br)ccc1O)[C@@H](C)O ZINC000386816556 813191002 /nfs/dbraw/zinc/19/10/02/813191002.db2.gz SRQAISCJMMLULQ-KCJUWKMLSA-N 1 0 288.185 2.404 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c1O ZINC000388841980 813244566 /nfs/dbraw/zinc/24/45/66/813244566.db2.gz UPUKCDMGUBIAGI-WCQYABFASA-N 1 0 265.353 2.306 20 10 CECDRO CCCN1CC[C@H]([NH2+]Cc2cccc(OCC)c2O)C1 ZINC000389286677 813249773 /nfs/dbraw/zinc/24/97/73/813249773.db2.gz WFYDRFBDFSAUJM-AWEZNQCLSA-N 1 0 278.396 2.365 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCc1cnccn1)CC2 ZINC000390066239 813259194 /nfs/dbraw/zinc/25/91/94/813259194.db2.gz RSYXKKSTCWWAQW-ZDUSSCGKSA-N 1 0 255.321 2.002 20 10 CECDRO O=c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)c[nH]1 ZINC000392869139 813307792 /nfs/dbraw/zinc/30/77/92/813307792.db2.gz ZLKPVAWPSZZGHJ-UHFFFAOYSA-N 1 0 256.305 2.012 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)nn2)c1 ZINC000396576851 813574731 /nfs/dbraw/zinc/57/47/31/813574731.db2.gz PZCOLNLVHSYLTM-NSHDSACASA-N 1 0 273.336 2.350 20 10 CECDRO COCCC(C)(C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000397909137 813645687 /nfs/dbraw/zinc/64/56/87/813645687.db2.gz YDMNIFLMRWEJSQ-UHFFFAOYSA-N 1 0 292.423 2.428 20 10 CECDRO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001116438156 814853831 /nfs/dbraw/zinc/85/38/31/814853831.db2.gz FLMYYYHUIYXBOW-INIZCTEOSA-N 1 0 287.407 2.127 20 10 CECDRO CC[C@@H]1CC[C@H]([NH2+]CC(=O)c2ccc(O)c(O)c2)C1 ZINC001173269529 815646565 /nfs/dbraw/zinc/64/65/65/815646565.db2.gz WQZNVFWCYCJONN-PWSUYJOCSA-N 1 0 263.337 2.449 20 10 CECDRO CCSC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001173294418 815654563 /nfs/dbraw/zinc/65/45/63/815654563.db2.gz IFEHKACDVVYROS-VIFPVBQESA-N 1 0 269.366 2.012 20 10 CECDRO CCN(CC[NH+]1CCCC1)Cc1c(O)cccc1F ZINC001137837331 815693437 /nfs/dbraw/zinc/69/34/37/815693437.db2.gz BLRSQBQGLINEJM-UHFFFAOYSA-N 1 0 266.360 2.449 20 10 CECDRO Oc1c(C[NH+]2CC=CC2)cc2c3c1CCCN3CCC2 ZINC001138338609 815769824 /nfs/dbraw/zinc/76/98/24/815769824.db2.gz RLAUKFCMSXYUDH-UHFFFAOYSA-N 1 0 270.376 2.463 20 10 CECDRO C[NH+](C)CC1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139682752 816081246 /nfs/dbraw/zinc/08/12/46/816081246.db2.gz BPKPSORSTIMCDN-UHFFFAOYSA-N 1 0 284.350 2.444 20 10 CECDRO O=C1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@@H]12 ZINC001140056405 816178577 /nfs/dbraw/zinc/17/85/77/816178577.db2.gz VWLYPTIJRCPVEL-GXFFZTMASA-N 1 0 263.312 2.332 20 10 CECDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(F)ccc1O ZINC001140057615 816179852 /nfs/dbraw/zinc/17/98/52/816179852.db2.gz HZVIUZXFDOTWDL-MNOVXSKESA-N 1 0 253.317 2.124 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001140058223 816180507 /nfs/dbraw/zinc/18/05/07/816180507.db2.gz VOZXXRDZMKXROE-AWEZNQCLSA-N 1 0 251.301 2.286 20 10 CECDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(F)ccc1O ZINC001140057619 816180790 /nfs/dbraw/zinc/18/07/90/816180790.db2.gz HZVIUZXFDOTWDL-WDEREUQCSA-N 1 0 253.317 2.124 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001140058447 816181741 /nfs/dbraw/zinc/18/17/41/816181741.db2.gz ZUXLTNMCBXTDCB-AWEZNQCLSA-N 1 0 271.307 2.218 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1O ZINC001140178591 816204575 /nfs/dbraw/zinc/20/45/75/816204575.db2.gz POIVYJQJNYQHSI-LBPRGKRZSA-N 1 0 285.334 2.459 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c1O ZINC001140184736 816205368 /nfs/dbraw/zinc/20/53/68/816205368.db2.gz GHBATNVGBARTTQ-CQSZACIVSA-N 1 0 299.374 2.452 20 10 CECDRO COCCCN1CC[NH+](Cc2c(C)ccc(C)c2O)CC1 ZINC001140182323 816205409 /nfs/dbraw/zinc/20/54/09/816205409.db2.gz OYYVYTAWENOVSC-UHFFFAOYSA-N 1 0 292.423 2.163 20 10 CECDRO OC[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140340368 816237781 /nfs/dbraw/zinc/23/77/81/816237781.db2.gz XTVSPCLGEDFNIW-SNVBAGLBSA-N 1 0 255.745 2.392 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)CC12CC2 ZINC001140342765 816238100 /nfs/dbraw/zinc/23/81/00/816238100.db2.gz XSCDYGYFVVTIGV-NSHDSACASA-N 1 0 295.766 2.431 20 10 CECDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001140464573 816259824 /nfs/dbraw/zinc/25/98/24/816259824.db2.gz VVUFQAWBKWEDGC-CYBMUJFWSA-N 1 0 292.770 2.474 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Oc3ncncc3C)C2)c1 ZINC001140624314 816308200 /nfs/dbraw/zinc/30/82/00/816308200.db2.gz QGJAADSDOIYOCD-HNNXBMFYSA-N 1 0 299.374 2.452 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCOC(C)(C)C2)c1O ZINC001140742026 816338296 /nfs/dbraw/zinc/33/82/96/816338296.db2.gz HNMHPSORZAJKFI-UHFFFAOYSA-N 1 0 251.326 2.017 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@](O)(CF)CC2)c1O ZINC001140742011 816338552 /nfs/dbraw/zinc/33/85/52/816338552.db2.gz HDTQVXWOVGGCDI-OAHLLOKOSA-N 1 0 283.343 2.093 20 10 CECDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140744191 816339703 /nfs/dbraw/zinc/33/97/03/816339703.db2.gz OQFYUWRVWWUOML-ZDUSSCGKSA-N 1 0 265.353 2.407 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCOCC2(C)C)c1O ZINC001140745796 816340795 /nfs/dbraw/zinc/34/07/95/816340795.db2.gz NMDLLUPNIPHAOO-UHFFFAOYSA-N 1 0 251.326 2.017 20 10 CECDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2O)[C@H]1C ZINC001140950731 816424217 /nfs/dbraw/zinc/42/42/17/816424217.db2.gz GAEMKPYIYXFUBJ-GXTWGEPZSA-N 1 0 277.364 2.474 20 10 CECDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074735 816470503 /nfs/dbraw/zinc/47/05/03/816470503.db2.gz SHHVYMYHLYPWIX-CXAGYDPISA-N 1 0 286.419 2.341 20 10 CECDRO CC[NH+](CC)CCN(C)Cc1cc(F)c(F)cc1O ZINC001142502004 816675679 /nfs/dbraw/zinc/67/56/79/816675679.db2.gz GDKQFPWOCJXTRI-UHFFFAOYSA-N 1 0 272.339 2.444 20 10 CECDRO C[N@@H+]1C[C@@H]2CCCN(Cc3cc(F)c(F)cc3O)[C@@H]2C1 ZINC001142524797 816681602 /nfs/dbraw/zinc/68/16/02/816681602.db2.gz LCPMBJHCEKICCP-IINYFYTJSA-N 1 0 282.334 2.196 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](CO)[C@@H]2CCOC2)cc1 ZINC001178361085 816732103 /nfs/dbraw/zinc/73/21/03/816732103.db2.gz UFVGHTGKGQDSFU-NVXWUHKLSA-N 1 0 292.423 2.020 20 10 CECDRO CC[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000125330910 365671196 /nfs/dbraw/zinc/67/11/96/365671196.db2.gz QWFHPSWXGXJYEQ-CQSZACIVSA-N 1 0 289.423 2.101 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000038013623 361981973 /nfs/dbraw/zinc/98/19/73/361981973.db2.gz YKRZPQFRVKIPIC-NEPJUHHUSA-N 1 0 294.395 2.356 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CS(C)(=O)=O)cc1 ZINC000078640513 260168328 /nfs/dbraw/zinc/16/83/28/260168328.db2.gz GTQOWKXHRAFBOO-ZDUSSCGKSA-N 1 0 298.452 2.056 20 10 CECDRO CCOc1cccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1O ZINC000091899242 344174117 /nfs/dbraw/zinc/17/41/17/344174117.db2.gz LWXZFXDKTSYYTR-OCCSQVGLSA-N 1 0 279.380 2.384 20 10 CECDRO COCCCN(C)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185554093 344509546 /nfs/dbraw/zinc/50/95/46/344509546.db2.gz QHZMNCQPNHNMCQ-AWEZNQCLSA-N 1 0 280.412 2.320 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@H]1O ZINC000271347275 344667232 /nfs/dbraw/zinc/66/72/32/344667232.db2.gz PHTPFWLIDFJDAV-DOMZBBRYSA-N 1 0 266.360 2.094 20 10 CECDRO CC[NH+](CC)[C@H]1CCN(Cc2cccc(OC)c2O)C1 ZINC000134063235 366282193 /nfs/dbraw/zinc/28/21/93/366282193.db2.gz SAHLXEIDNRAYKB-AWEZNQCLSA-N 1 0 278.396 2.317 20 10 CECDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cccc(O)c1O ZINC000287174734 283241679 /nfs/dbraw/zinc/24/16/79/283241679.db2.gz HBTGRHCHGARTDF-UHFFFAOYSA-N 1 0 292.379 2.046 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC)cc1 ZINC000092100017 364075461 /nfs/dbraw/zinc/07/54/61/364075461.db2.gz RBTAHGIOUGPBHE-INIZCTEOSA-N 1 0 289.423 2.243 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCN(CC(F)F)CC2)c1 ZINC000092586732 364083781 /nfs/dbraw/zinc/08/37/81/364083781.db2.gz QAZMGOAONLGNOG-UHFFFAOYSA-N 1 0 270.323 2.083 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c1O ZINC000092967974 364125750 /nfs/dbraw/zinc/12/57/50/364125750.db2.gz MHTQBLIHZASCHB-CQSZACIVSA-N 1 0 287.363 2.434 20 10 CECDRO COCCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000117870618 365128537 /nfs/dbraw/zinc/12/85/37/365128537.db2.gz YCNWIMJDTBCEPN-UHFFFAOYSA-N 1 0 278.396 2.244 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCN(C)CCOC)cc1 ZINC000159332473 366902286 /nfs/dbraw/zinc/90/22/86/366902286.db2.gz TWNMYSAUOZPZEV-HNNXBMFYSA-N 1 0 293.455 2.372 20 10 CECDRO CC[C@H](O)CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000168825777 367361851 /nfs/dbraw/zinc/36/18/51/367361851.db2.gz CGESFSRWTWESEG-QWRGUYRKSA-N 1 0 253.342 2.212 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](OCCO)C2)c1O ZINC000180175926 368370491 /nfs/dbraw/zinc/37/04/91/368370491.db2.gz DTVBOGQKPZLLEV-CQSZACIVSA-N 1 0 299.798 2.327 20 10 CECDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000179915597 368358597 /nfs/dbraw/zinc/35/85/97/368358597.db2.gz JHTPNUKDYIMTEX-CQSZACIVSA-N 1 0 266.360 2.447 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC000180426177 368381540 /nfs/dbraw/zinc/38/15/40/368381540.db2.gz NTUCBTFEAQGICQ-AWEZNQCLSA-N 1 0 263.337 2.012 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000180849421 368399755 /nfs/dbraw/zinc/39/97/55/368399755.db2.gz PILDVKYLVYQOGD-QGZVFWFLSA-N 1 0 287.334 2.455 20 10 CECDRO Cc1cccc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)c1O ZINC000181198116 368430734 /nfs/dbraw/zinc/43/07/34/368430734.db2.gz MQNITEOERYUOMR-LBPRGKRZSA-N 1 0 288.347 2.088 20 10 CECDRO CC[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N(C)C)cc1 ZINC000181290722 368440025 /nfs/dbraw/zinc/44/00/25/368440025.db2.gz QYXSHEHBVDVWSB-MRXNPFEDSA-N 1 0 289.423 2.320 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1ccccc1O ZINC000183338869 368623471 /nfs/dbraw/zinc/62/34/71/368623471.db2.gz IXMMHCNEGPJQQW-KBPBESRZSA-N 1 0 276.380 2.442 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)C[S@](C)=O)cc1C ZINC000187834563 369234032 /nfs/dbraw/zinc/23/40/32/369234032.db2.gz KBHPJRDWIARFGC-XIKOKIGWSA-N 1 0 269.410 2.208 20 10 CECDRO C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1ccc(N(C)C)cc1 ZINC000158174959 261159797 /nfs/dbraw/zinc/15/97/97/261159797.db2.gz NCFRNPSSJVVGBQ-IUODEOHRSA-N 1 0 280.437 2.271 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1 ZINC000188828740 369415426 /nfs/dbraw/zinc/41/54/26/369415426.db2.gz NUQQIBWYSALXNZ-DGCLKSJQSA-N 1 0 265.353 2.042 20 10 CECDRO COc1ccnc(CN(C)Cc2ccccc2O)c1OC ZINC000190861108 369656663 /nfs/dbraw/zinc/65/66/63/369656663.db2.gz RDAVPZGZFYCNAH-UHFFFAOYSA-N 1 0 288.347 2.436 20 10 CECDRO C[C@@H]1CN(C)c2ccccc2N(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000637937149 370183097 /nfs/dbraw/zinc/18/30/97/370183097.db2.gz RPGOWRNYUDYLCV-OCCSQVGLSA-N 1 0 285.391 2.153 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(F)ccc1O ZINC000230659306 370461317 /nfs/dbraw/zinc/46/13/17/370461317.db2.gz IOPOSMAQGAYLOE-LHLIQPBNSA-N 1 0 267.222 2.105 20 10 CECDRO c1cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc2c1OCC2 ZINC000250076177 371376412 /nfs/dbraw/zinc/37/64/12/371376412.db2.gz OPDQTULPMKZUNT-SQWLQELKSA-N 1 0 259.349 2.279 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000269187679 372369435 /nfs/dbraw/zinc/36/94/35/372369435.db2.gz VZPRXKCZVRCUBS-AWEZNQCLSA-N 1 0 276.380 2.225 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)C(F)(F)F ZINC000270966524 373037590 /nfs/dbraw/zinc/03/75/90/373037590.db2.gz ILMXHBLJAMGBIY-DGCLKSJQSA-N 1 0 289.297 2.413 20 10 CECDRO Cc1cc(O)c(C[NH+]2CC([C@H]3CCOC3)C2)cc1C ZINC000366245219 373014072 /nfs/dbraw/zinc/01/40/72/373014072.db2.gz BCOYYRKMBZQISC-ZDUSSCGKSA-N 1 0 261.365 2.477 20 10 CECDRO OC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccccc1O ZINC000271244785 373185554 /nfs/dbraw/zinc/18/55/54/373185554.db2.gz BTQIQXLTBQMDFW-MRXNPFEDSA-N 1 0 269.344 2.484 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@H](C)C2)c1 ZINC000271315514 373187084 /nfs/dbraw/zinc/18/70/84/373187084.db2.gz XLSMQLXVARTJOZ-YPMHNXCESA-N 1 0 265.353 2.448 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H](C)C2)c1 ZINC000271315506 373188017 /nfs/dbraw/zinc/18/80/17/373188017.db2.gz XLSMQLXVARTJOZ-DGCLKSJQSA-N 1 0 265.353 2.448 20 10 CECDRO C[C@H]1C[C@H](C[NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000271363234 373189864 /nfs/dbraw/zinc/18/98/64/373189864.db2.gz ISJIDIQYSHVHII-WDEREUQCSA-N 1 0 279.336 2.026 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1F ZINC000272322537 373428685 /nfs/dbraw/zinc/42/86/85/373428685.db2.gz IRCLUYIBASXTLJ-UONOGXRCSA-N 1 0 266.360 2.141 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000272488701 373510945 /nfs/dbraw/zinc/51/09/45/373510945.db2.gz UFWVRASPCQNIPZ-ZIAGYGMSSA-N 1 0 264.344 2.248 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000272609194 373579626 /nfs/dbraw/zinc/57/96/26/373579626.db2.gz KDYYAKKCWJXRPJ-CZUORRHYSA-N 1 0 290.407 2.317 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)CCC[C@H]2CO)c1O ZINC000272697746 373619165 /nfs/dbraw/zinc/61/91/65/373619165.db2.gz VPHMXEKKOIMKPZ-YGRLFVJLSA-N 1 0 295.354 2.469 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccc(C)c(C)c2O)n1 ZINC000273435104 373757221 /nfs/dbraw/zinc/75/72/21/373757221.db2.gz LXBIPKROQIFQBS-LLVKDONJSA-N 1 0 274.368 2.329 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCC3)c(O)c1 ZINC000273446085 373757958 /nfs/dbraw/zinc/75/79/58/373757958.db2.gz ZXVYFRSUURZXIR-LLVKDONJSA-N 1 0 272.352 2.089 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCC3)c(O)c1 ZINC000273446087 373758410 /nfs/dbraw/zinc/75/84/10/373758410.db2.gz ZXVYFRSUURZXIR-NSHDSACASA-N 1 0 272.352 2.089 20 10 CECDRO Cc1nccn1CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000273607976 373768583 /nfs/dbraw/zinc/76/85/83/373768583.db2.gz UWVPRAYAADYADH-JTQLQIEISA-N 1 0 263.316 2.387 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c(O)c1C ZINC000273622778 373768784 /nfs/dbraw/zinc/76/87/84/373768784.db2.gz ZPHCFNWUSCOPDM-STQMWFEESA-N 1 0 276.380 2.280 20 10 CECDRO CCOc1ccc(O)c(CN2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000371487908 373899948 /nfs/dbraw/zinc/89/99/48/373899948.db2.gz IACQDRYRBXWUMV-CJNGLKHVSA-N 1 0 290.407 2.317 20 10 CECDRO Oc1ccc2ccccc2c1C[NH+]1CC(n2ccnn2)C1 ZINC000371604969 373933614 /nfs/dbraw/zinc/93/36/14/373933614.db2.gz GNVYQNLXXWRJBC-UHFFFAOYSA-N 1 0 280.331 2.194 20 10 CECDRO C[S@@](=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000282268481 375443804 /nfs/dbraw/zinc/44/38/04/375443804.db2.gz HMUAJHDZXOBZRD-QGZVFWFLSA-N 1 0 273.785 2.046 20 10 CECDRO CCCOc1ccc(C[NH2+]CC2([S@@](C)=O)CC2)c(O)c1 ZINC000282296362 375451911 /nfs/dbraw/zinc/45/19/11/375451911.db2.gz JJPXWNMWUCWCRF-HXUWFJFHSA-N 1 0 297.420 2.182 20 10 CECDRO COC(=O)[C@]1(C)C[N@H+](Cc2cc(C)ccc2O)C[C@H]1C ZINC000282724819 375559751 /nfs/dbraw/zinc/55/97/51/375559751.db2.gz LVJKULUNUOHQCD-MLGOLLRUSA-N 1 0 277.364 2.332 20 10 CECDRO CC[C@H]([NH2+][C@H](C)C(=O)NCCF)c1ccc(N(C)C)cc1 ZINC000282821458 375584120 /nfs/dbraw/zinc/58/41/20/375584120.db2.gz RTXAMUAZWACFSH-DOMZBBRYSA-N 1 0 295.402 2.268 20 10 CECDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000284221936 375826136 /nfs/dbraw/zinc/82/61/36/375826136.db2.gz UCJBGROARSAXLN-LBPRGKRZSA-N 1 0 285.409 2.094 20 10 CECDRO COC[C@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1O)OC ZINC000285115159 375836365 /nfs/dbraw/zinc/83/63/65/375836365.db2.gz KVYFNQKFLXAZEB-OLZOCXBDSA-N 1 0 267.369 2.321 20 10 CECDRO CO[C@@](C)(C[NH2+]Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000291049011 377047838 /nfs/dbraw/zinc/04/78/38/377047838.db2.gz MSFKIPOCTLLRGW-HNNXBMFYSA-N 1 0 279.336 2.026 20 10 CECDRO Cc1cc(CN2CC[NH+](C3CC3)CC2)ccc1N(C)C ZINC000293315567 377517494 /nfs/dbraw/zinc/51/74/94/377517494.db2.gz CATAJGJHGATZJS-UHFFFAOYSA-N 1 0 273.424 2.341 20 10 CECDRO Cc1cc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)ccc1N(C)C ZINC000294751499 378017062 /nfs/dbraw/zinc/01/70/62/378017062.db2.gz XRDAQTIXPXUOCJ-DJJJIMSYSA-N 1 0 282.453 2.260 20 10 CECDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000294950697 378031780 /nfs/dbraw/zinc/03/17/80/378031780.db2.gz VXTPEQWMTJEOHI-FZNQNYSPSA-N 1 0 260.381 2.290 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)[C@H](O)C(F)F ZINC000294989577 378034226 /nfs/dbraw/zinc/03/42/26/378034226.db2.gz HIMCAUZCVNQYBX-JQWIXIFHSA-N 1 0 259.296 2.195 20 10 CECDRO C[N@H+](Cc1cnn(CC(F)F)c1)Cc1ccccc1O ZINC000295236883 378065721 /nfs/dbraw/zinc/06/57/21/378065721.db2.gz DMHBPEITLIEPJQ-UHFFFAOYSA-N 1 0 281.306 2.486 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)NC(C)(C)C ZINC000295787446 378303672 /nfs/dbraw/zinc/30/36/72/378303672.db2.gz ABDOCUYZBCMXCF-PWSUYJOCSA-N 1 0 276.380 2.272 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1O ZINC000295995769 378385350 /nfs/dbraw/zinc/38/53/50/378385350.db2.gz KNWPXLHBDMUFOW-CKYFFXLPSA-N 1 0 251.326 2.056 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@H](C)O1 ZINC000296476823 378544538 /nfs/dbraw/zinc/54/45/38/378544538.db2.gz PTWWVQHUXKNQIE-KEYYUXOJSA-N 1 0 290.407 2.179 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)c(O)c1 ZINC000527956746 379857228 /nfs/dbraw/zinc/85/72/28/379857228.db2.gz PMJBQZPGRMVPGS-NWANDNLSSA-N 1 0 279.380 2.200 20 10 CECDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000529668473 380183320 /nfs/dbraw/zinc/18/33/20/380183320.db2.gz GHOABQDYDPCGAD-LFNDISMMSA-N 1 0 253.317 2.433 20 10 CECDRO CNC(=O)CC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000093588468 394667572 /nfs/dbraw/zinc/66/75/72/394667572.db2.gz LYDQONWAKFEGMY-UHFFFAOYSA-N 1 0 276.380 2.049 20 10 CECDRO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(C)ccc1O ZINC000093610806 394669045 /nfs/dbraw/zinc/66/90/45/394669045.db2.gz HFCZHAZNFQEWFU-CYBMUJFWSA-N 1 0 295.404 2.181 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H](C)N(C)C2CC2)c1O ZINC000105488279 394721855 /nfs/dbraw/zinc/72/18/55/394721855.db2.gz CVTWVAOONLZRKT-LBPRGKRZSA-N 1 0 278.396 2.363 20 10 CECDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)N(C)C1CC1 ZINC000105487958 394721945 /nfs/dbraw/zinc/72/19/45/394721945.db2.gz OTBOHINJSBLWEF-LBPRGKRZSA-N 1 0 260.381 2.194 20 10 CECDRO CCOc1cccc(C[NH2+][C@@]2(C)CCOC2)c1O ZINC000120180427 394776074 /nfs/dbraw/zinc/77/60/74/394776074.db2.gz OWFTZGWKDGQWPP-AWEZNQCLSA-N 1 0 251.326 2.060 20 10 CECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000122328581 394811707 /nfs/dbraw/zinc/81/17/07/394811707.db2.gz DVCJRSVYSXVPTC-ZFWWWQNUSA-N 1 0 273.424 2.467 20 10 CECDRO CN1CCc2cc(CNC(=[NH2+])Nc3ccccn3)ccc21 ZINC000364416824 394899812 /nfs/dbraw/zinc/89/98/12/394899812.db2.gz NWJXNIWXKGTBLI-UHFFFAOYSA-N 1 0 281.363 2.210 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@H](C)C1 ZINC000282367587 394917794 /nfs/dbraw/zinc/91/77/94/394917794.db2.gz QCINKKGMFFALDE-ZYHUDNBSSA-N 1 0 279.336 2.120 20 10 CECDRO Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1O ZINC000373216911 395057025 /nfs/dbraw/zinc/05/70/25/395057025.db2.gz OZUWPSOJKGAXGY-LSDHHAIUSA-N 1 0 288.391 2.191 20 10 CECDRO CCCC[N@H+](CCCO)Cc1cccc(OC)c1O ZINC000289447121 395077893 /nfs/dbraw/zinc/07/78/93/395077893.db2.gz MSOAWNFLRJGOJN-UHFFFAOYSA-N 1 0 267.369 2.385 20 10 CECDRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1cccc(C)c1O)C2 ZINC000374675385 395085393 /nfs/dbraw/zinc/08/53/93/395085393.db2.gz DBAQEYNJQKLPHJ-WMLDXEAASA-N 1 0 289.375 2.476 20 10 CECDRO COCCOCC[N@H+](C)Cc1c(O)cccc1Cl ZINC000290095522 395094535 /nfs/dbraw/zinc/09/45/35/395094535.db2.gz HHUPRNQZOCTZRD-UHFFFAOYSA-N 1 0 273.760 2.140 20 10 CECDRO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000178710462 395172518 /nfs/dbraw/zinc/17/25/18/395172518.db2.gz DDKPTMYUAYKWHA-HUUCEWRRSA-N 1 0 287.407 2.030 20 10 CECDRO Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(O)c1O ZINC000182563152 395245444 /nfs/dbraw/zinc/24/54/44/395245444.db2.gz RAFQAVPHDPFSKE-RYUDHWBXSA-N 1 0 292.379 2.009 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000179400743 395194084 /nfs/dbraw/zinc/19/40/84/395194084.db2.gz QNCSQZFILJMLMQ-GFCCVEGCSA-N 1 0 265.353 2.402 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1O ZINC000293052752 395215739 /nfs/dbraw/zinc/21/57/39/395215739.db2.gz RRHQFAPPKBDTGE-BLLLJJGKSA-N 1 0 279.380 2.432 20 10 CECDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000293812124 395252447 /nfs/dbraw/zinc/25/24/47/395252447.db2.gz RQVCVEGGUDZXBA-INIZCTEOSA-N 1 0 290.407 2.180 20 10 CECDRO C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccccc1O ZINC000183495789 395257963 /nfs/dbraw/zinc/25/79/63/395257963.db2.gz LTVGSFOXOXQTGJ-CYBMUJFWSA-N 1 0 278.396 2.154 20 10 CECDRO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000293957591 395260374 /nfs/dbraw/zinc/26/03/74/395260374.db2.gz PQCYSGFDQBVRLI-CQSZACIVSA-N 1 0 265.328 2.411 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCN1CCSCC1)CC2 ZINC000297493335 296593112 /nfs/dbraw/zinc/59/31/12/296593112.db2.gz BNGLPMAYJMJVOM-ZDUSSCGKSA-N 1 0 278.421 2.018 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CCNC(=O)C(C)C)cc1 ZINC000020125440 171008544 /nfs/dbraw/zinc/00/85/44/171008544.db2.gz ITBHOLUJIIWGSZ-UHFFFAOYSA-N 1 0 291.439 2.395 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CCCn1ccnc1 ZINC000020506216 171228034 /nfs/dbraw/zinc/22/80/34/171228034.db2.gz JNVJTZQJXYJATK-UHFFFAOYSA-N 1 0 265.744 2.422 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N(C)C)c1 ZINC000038088602 174101733 /nfs/dbraw/zinc/10/17/33/174101733.db2.gz DAXLOCSNWZXRGZ-MNOVXSKESA-N 1 0 252.358 2.002 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CC(=O)NC)cc1 ZINC000298681869 260161707 /nfs/dbraw/zinc/16/17/07/260161707.db2.gz FMGDTWZKPHCROA-ZDUSSCGKSA-N 1 0 277.412 2.147 20 10 CECDRO C[NH+](C)[C@@H]1CCCN(Cc2cccc(F)c2O)C1 ZINC000160247132 261209262 /nfs/dbraw/zinc/20/92/62/261209262.db2.gz GUUOXRFPCNYWRI-GFCCVEGCSA-N 1 0 252.333 2.057 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C)cc1OC ZINC000160322387 261210659 /nfs/dbraw/zinc/21/06/59/261210659.db2.gz DYJDQJOQFOIDKQ-JTQLQIEISA-N 1 0 251.326 2.394 20 10 CECDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccc(N2CCOCC2)cc1 ZINC000164351361 261348797 /nfs/dbraw/zinc/34/87/97/261348797.db2.gz LRWIVDXNWKHCQI-CQSZACIVSA-N 1 0 290.407 2.210 20 10 CECDRO CC[C@H]([NH2+]C1CN(C(=O)OC)C1)c1ccc(N(C)C)cc1 ZINC000181468497 261898458 /nfs/dbraw/zinc/89/84/58/261898458.db2.gz MPQZYTYMYRISPW-HNNXBMFYSA-N 1 0 291.395 2.244 20 10 CECDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1O ZINC000185220131 262046141 /nfs/dbraw/zinc/04/61/41/262046141.db2.gz NDLZYQDUEIZHKD-QWRGUYRKSA-N 1 0 251.326 2.070 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCSC2)c(O)c1 ZINC000185639080 262063481 /nfs/dbraw/zinc/06/34/81/262063481.db2.gz WKHGAAJWXDBJEL-BXUZGUMPSA-N 1 0 267.394 2.219 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCC(=O)N(C)C)c1 ZINC000185193992 262301855 /nfs/dbraw/zinc/30/18/55/262301855.db2.gz CJDXDDNFSSXVLM-LBPRGKRZSA-N 1 0 264.369 2.220 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](CO)SC)c1 ZINC000185511114 262305924 /nfs/dbraw/zinc/30/59/24/262305924.db2.gz RMNQWWXXRQMGQT-PKFCDNJMSA-N 1 0 285.409 2.164 20 10 CECDRO C[C@@H]1OCC[C@]12C[N@H+](Cc1ccc(N(C)C)cc1)CCO2 ZINC000280404251 263061155 /nfs/dbraw/zinc/06/11/55/263061155.db2.gz LBLTXDBKEHUNTL-YOEHRIQHSA-N 1 0 290.407 2.132 20 10 CECDRO Oc1ccc(F)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000226563755 263139044 /nfs/dbraw/zinc/13/90/44/263139044.db2.gz BBPCVFZUAFWMDT-CQSZACIVSA-N 1 0 264.344 2.201 20 10 CECDRO CCN(C)C(=O)[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C(C)C ZINC000296581083 263193365 /nfs/dbraw/zinc/19/33/65/263193365.db2.gz UIUFQWJFQDPGLU-BBRMVZONSA-N 1 0 290.407 2.472 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc(F)ccc1O ZINC000368328705 267163226 /nfs/dbraw/zinc/16/32/26/267163226.db2.gz AFKYMBMTESSQJD-IQOUGMIPSA-N 1 0 292.354 2.191 20 10 CECDRO Oc1c(F)cccc1CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000368592513 267190222 /nfs/dbraw/zinc/19/02/22/267190222.db2.gz QLNKTBYYFXQCLV-ZDUSSCGKSA-N 1 0 296.411 2.154 20 10 CECDRO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)c2cc(OC)ccc2O)C1 ZINC000368794273 267206427 /nfs/dbraw/zinc/20/64/27/267206427.db2.gz ASZNHWVCSUBYRE-BDJLRTHQSA-N 1 0 293.363 2.347 20 10 CECDRO OCC1([NH2+]Cc2cc(F)ccc2O)Cc2ccccc2C1 ZINC000376827697 268022231 /nfs/dbraw/zinc/02/22/31/268022231.db2.gz JKIQRELUPGRZLL-UHFFFAOYSA-N 1 0 287.334 2.151 20 10 CECDRO CC(C)(C)N1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CC1=O ZINC000296275272 275514991 /nfs/dbraw/zinc/51/49/91/275514991.db2.gz CARHCBOTSOTCSF-OLZOCXBDSA-N 1 0 288.391 2.369 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H]2CCOC[C@@H]21 ZINC000366498136 281025481 /nfs/dbraw/zinc/02/54/81/281025481.db2.gz RFJXWONGZIOFLT-IJEWVQPXSA-N 1 0 277.364 2.333 20 10 CECDRO CC[C@H]([NH2+]CCCN1CCOC1=O)c1ccccc1O ZINC000183312354 327818744 /nfs/dbraw/zinc/81/87/44/327818744.db2.gz GCJUBBOFIQXXCT-ZDUSSCGKSA-N 1 0 278.352 2.275 20 10 CECDRO COC(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1[O-] ZINC000281015101 328238125 /nfs/dbraw/zinc/23/81/25/328238125.db2.gz YWHIIYBIBNBNHW-MRVPVSSYSA-N 1 0 257.717 2.039 20 10 CECDRO COc1cncc(C[N@H+](C)Cc2ccccc2O)c1 ZINC000289950377 328257039 /nfs/dbraw/zinc/25/70/39/328257039.db2.gz PDTMSPNZHANBJB-UHFFFAOYSA-N 1 0 258.321 2.428 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnccn1 ZINC000070477686 326916841 /nfs/dbraw/zinc/91/68/41/326916841.db2.gz SCVIYRPDSLBOIZ-GFCCVEGCSA-N 1 0 256.353 2.393 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCc2ccccc2O)C1 ZINC000377798281 329030006 /nfs/dbraw/zinc/03/00/06/329030006.db2.gz GNZFRYOACQOWRW-INIZCTEOSA-N 1 0 294.370 2.221 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c1 ZINC000378129360 329040868 /nfs/dbraw/zinc/04/08/68/329040868.db2.gz MDDDXJRNMAIRNC-INIZCTEOSA-N 1 0 279.380 2.241 20 10 CECDRO Cc1nc(C2CC[NH+](Cc3ccccc3O)CC2)no1 ZINC000378370697 329047885 /nfs/dbraw/zinc/04/78/85/329047885.db2.gz PJMMRWMGFOQUJK-UHFFFAOYSA-N 1 0 273.336 2.463 20 10 CECDRO CC(C)(CCCO)C[NH2+]Cc1cc(F)ccc1O ZINC000226618714 329262492 /nfs/dbraw/zinc/26/24/92/329262492.db2.gz CKJGGPZPQQRQTD-UHFFFAOYSA-N 1 0 255.333 2.420 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000222613615 333197763 /nfs/dbraw/zinc/19/77/63/333197763.db2.gz AKIYLWGJSRBNJG-CABZTGNLSA-N 1 0 276.302 2.326 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1O ZINC000230315836 333316453 /nfs/dbraw/zinc/31/64/53/333316453.db2.gz MCWWLFMFOZJNAV-IUODEOHRSA-N 1 0 263.337 2.058 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000230316840 333316540 /nfs/dbraw/zinc/31/65/40/333316540.db2.gz JMEYBAHKUWZABP-JKSUJKDBSA-N 1 0 260.381 2.410 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCSCC2)c1 ZINC000230661623 333319984 /nfs/dbraw/zinc/31/99/84/333319984.db2.gz ZKOJGQVFYWJKMJ-CYBMUJFWSA-N 1 0 280.437 2.400 20 10 CECDRO CC[C@@H]([NH2+]Cc1nncn1CC)c1ccccc1O ZINC000230971663 333323155 /nfs/dbraw/zinc/32/31/55/333323155.db2.gz DTZRYHRZUNSZHG-GFCCVEGCSA-N 1 0 260.341 2.245 20 10 CECDRO CCC[C@@H](CCO)C[NH2+]Cc1cccc(OC)c1O ZINC000231391906 333324757 /nfs/dbraw/zinc/32/47/57/333324757.db2.gz FDTGMITVKDLDDA-LBPRGKRZSA-N 1 0 267.369 2.289 20 10 CECDRO COC[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000234842712 333362504 /nfs/dbraw/zinc/36/25/04/333362504.db2.gz YNFRMOLLRRAKPX-YPMHNXCESA-N 1 0 275.348 2.203 20 10 CECDRO COc1cccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c1O ZINC000133953767 334074993 /nfs/dbraw/zinc/07/49/93/334074993.db2.gz DAXBRWFXKWRGBQ-CQSZACIVSA-N 1 0 276.380 2.071 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CCCOCC2)c(O)c1 ZINC000134194695 334083889 /nfs/dbraw/zinc/08/38/89/334083889.db2.gz QNUAUDVRCHJGNQ-UHFFFAOYSA-N 1 0 265.353 2.403 20 10 CECDRO CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(F)ccc2O)C1 ZINC000278504522 521652412 /nfs/dbraw/zinc/65/24/12/521652412.db2.gz QVIAWUILARNEKL-VLRKGOCCSA-N 1 0 283.343 2.112 20 10 CECDRO CCOCc1cc(C[NH2+]CCC[C@@H](C)O)ccc1OC ZINC000278604690 520186838 /nfs/dbraw/zinc/18/68/38/520186838.db2.gz IEJGHQPMJZAJPV-CYBMUJFWSA-N 1 0 281.396 2.482 20 10 CECDRO CCCCNC(=[NH2+])NCc1ccc2c(c1)CCN2C ZINC000364413154 520602250 /nfs/dbraw/zinc/60/22/50/520602250.db2.gz GLUQVNIHBWGPQY-UHFFFAOYSA-N 1 0 260.385 2.093 20 10 CECDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000268893810 520806639 /nfs/dbraw/zinc/80/66/39/520806639.db2.gz OOGGHFAPMSDMHX-RHSMWYFYSA-N 1 0 292.423 2.335 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC(=O)NC2CC2)cc1F ZINC000265785369 520905037 /nfs/dbraw/zinc/90/50/37/520905037.db2.gz PPXYSAKBLKLQQB-UHFFFAOYSA-N 1 0 293.386 2.040 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)C[C@@H]2CCCO2)c1 ZINC000128099541 521140059 /nfs/dbraw/zinc/14/00/59/521140059.db2.gz FPQFMMKXQHAHMC-AWEZNQCLSA-N 1 0 265.353 2.402 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2cnccc2OC)c1 ZINC000292814913 521155223 /nfs/dbraw/zinc/15/52/23/521155223.db2.gz WNPGNTYVVUJXQG-UHFFFAOYSA-N 1 0 288.347 2.484 20 10 CECDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2ccccc2O)CCC1 ZINC000277382264 521733437 /nfs/dbraw/zinc/73/34/37/521733437.db2.gz XSMHOHADKGLQCN-LBPRGKRZSA-N 1 0 276.380 2.349 20 10 CECDRO COC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)[C@@H]1CCCO1 ZINC000278932152 522759639 /nfs/dbraw/zinc/75/96/39/522759639.db2.gz XNPDJNHJWLQORD-PJODQICGSA-N 1 0 295.379 2.245 20 10 CECDRO CC[C@@H]([NH2+]CCOCCOC)c1ccc(C)cc1O ZINC000279954605 522837649 /nfs/dbraw/zinc/83/76/49/522837649.db2.gz BYWHVLDKRSAGFK-CQSZACIVSA-N 1 0 267.369 2.404 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccccc1O ZINC000274879183 522850712 /nfs/dbraw/zinc/85/07/12/522850712.db2.gz HFQFIHIGFJERBE-GDBMZVCRSA-N 1 0 279.380 2.220 20 10 CECDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1 ZINC000264695636 523385915 /nfs/dbraw/zinc/38/59/15/523385915.db2.gz IHRSGELUUGZSKG-HNNXBMFYSA-N 1 0 287.359 2.264 20 10 CECDRO CN1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1=O ZINC000263743802 524012274 /nfs/dbraw/zinc/01/22/74/524012274.db2.gz NYLOTYRUHXBQCE-INIZCTEOSA-N 1 0 296.370 2.380 20 10 CECDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccccc1O ZINC000252819197 524227659 /nfs/dbraw/zinc/22/76/59/524227659.db2.gz MTLSXTRHMBKFLG-CZIZLABSSA-N 1 0 255.383 2.200 20 10 CECDRO COc1ccc(N2CCC([NH2+]CCC[C@H](C)O)CC2)cc1 ZINC000366012245 524404227 /nfs/dbraw/zinc/40/42/27/524404227.db2.gz TWCVRTTWJLHKQO-AWEZNQCLSA-N 1 0 292.423 2.415 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[S@](=O)CC2)cc1C ZINC000277808543 525320349 /nfs/dbraw/zinc/32/03/49/525320349.db2.gz YBHUHZBFPKGCLP-ORAYPTAESA-N 1 0 281.421 2.352 20 10 CECDRO C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000280912528 525378508 /nfs/dbraw/zinc/37/85/08/525378508.db2.gz QMTOJYQPHBVYFE-IMJJTQAJSA-N 1 0 292.423 2.048 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)C(C)C)c(O)c1C ZINC000290012603 525725718 /nfs/dbraw/zinc/72/57/18/525725718.db2.gz BTRXOYIFARWUDG-CYBMUJFWSA-N 1 0 299.436 2.483 20 10 CECDRO COc1cccc(C[NH2+]C[C@@](C)(O)c2ccccc2)c1O ZINC000265182773 526019454 /nfs/dbraw/zinc/01/94/54/526019454.db2.gz WXUFQLWQQBAYCJ-QGZVFWFLSA-N 1 0 287.359 2.398 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291166879 526349433 /nfs/dbraw/zinc/34/94/33/526349433.db2.gz DCNYKDJAUBWRFZ-ZDUSSCGKSA-N 1 0 261.300 2.175 20 10 CECDRO CC[N@H+](CCC(=O)OC)Cc1cc2c(cc1O)CCC2 ZINC000738099731 574466551 /nfs/dbraw/zinc/46/65/51/574466551.db2.gz PHGRBHLJKLHWKU-UHFFFAOYSA-N 1 0 277.364 2.266 20 10 CECDRO C[NH+](C)C1(CNC(=O)C2=CC(=O)CS2)CCCCC1 ZINC000732265187 574616397 /nfs/dbraw/zinc/61/63/97/574616397.db2.gz OGKBPJNGNPCZRK-UHFFFAOYSA-N 1 0 282.409 2.448 20 10 CECDRO C[C@H](CNC(=O)C1=CC(=O)CS1)[N@@H+]1CCCC[C@@H]1C ZINC000732271203 574617022 /nfs/dbraw/zinc/61/70/22/574617022.db2.gz QRFLTHLODUJGOC-WDEREUQCSA-N 1 0 282.409 2.446 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@]2(C)CCOC2)c1 ZINC000733328072 574664181 /nfs/dbraw/zinc/66/41/81/574664181.db2.gz RSYVCDCDPIOCIX-OAHLLOKOSA-N 1 0 265.353 2.307 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H](OC)C(F)(F)F ZINC000733330226 574665030 /nfs/dbraw/zinc/66/50/30/574665030.db2.gz SVTVGKNLSVJGGK-NSHDSACASA-N 1 0 279.258 2.068 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2c(O)cccc2OC)o1 ZINC000734159861 574703846 /nfs/dbraw/zinc/70/38/46/574703846.db2.gz JYHQKONJFODVMV-UHFFFAOYSA-N 1 0 291.303 2.070 20 10 CECDRO C[C@H](O)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756572615 574821125 /nfs/dbraw/zinc/82/11/25/574821125.db2.gz NHYWLOHTPRVLCN-QXEWZRGKSA-N 1 0 253.317 2.440 20 10 CECDRO CC[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000738085152 574851626 /nfs/dbraw/zinc/85/16/26/574851626.db2.gz QADUQESTTOBJQG-OAHLLOKOSA-N 1 0 261.365 2.492 20 10 CECDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000749132476 575206762 /nfs/dbraw/zinc/20/67/62/575206762.db2.gz PNLPESIMLGOMIZ-CQSZACIVSA-N 1 0 289.423 2.276 20 10 CECDRO C[N@@H+]1CC[C@H](CC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890761410 622933345 /nfs/dbraw/zinc/93/33/45/622933345.db2.gz QUVXPTIFULMTFA-SNVBAGLBSA-N 1 0 282.771 2.004 20 10 CECDRO C[N@@H+]1CC[C@@H](CC(=O)NCc2cccc(Cl)c2O)C1 ZINC000890761409 622933364 /nfs/dbraw/zinc/93/33/64/622933364.db2.gz QUVXPTIFULMTFA-JTQLQIEISA-N 1 0 282.771 2.004 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000725841776 625612558 /nfs/dbraw/zinc/61/25/58/625612558.db2.gz ZKQYHWKQEMNFCM-CYBMUJFWSA-N 1 0 290.363 2.386 20 10 CECDRO CC(C)=CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891256905 623331292 /nfs/dbraw/zinc/33/12/92/623331292.db2.gz BLWFMWBZBMXFAZ-MRXNPFEDSA-N 1 0 289.423 2.438 20 10 CECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000177221143 625654237 /nfs/dbraw/zinc/65/42/37/625654237.db2.gz FPPHLAKFQQKBCQ-KRWDZBQOSA-N 1 0 289.375 2.266 20 10 CECDRO C[C@@H](NC(=O)NCC1([NH3+])CCCCC1)c1ccccc1O ZINC000891976625 624220655 /nfs/dbraw/zinc/22/06/55/624220655.db2.gz FMLPTROJYPMTGB-GFCCVEGCSA-N 1 0 291.395 2.414 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C)c(O)c1OC ZINC000892020622 624256332 /nfs/dbraw/zinc/25/63/32/624256332.db2.gz ZSUGGZLYTBOHHN-JTQLQIEISA-N 1 0 251.326 2.394 20 10 CECDRO CO[C@](C)(CO)C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000848556490 624365737 /nfs/dbraw/zinc/36/57/37/624365737.db2.gz ZEVRCLXPTRHTNE-DOMZBBRYSA-N 1 0 267.369 2.057 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)Cc2cnccn2)c(O)c1 ZINC000725848859 625831277 /nfs/dbraw/zinc/83/12/77/625831277.db2.gz AECCLPNJWZMRJD-GFCCVEGCSA-N 1 0 287.363 2.302 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cc(C(N)=O)co2)c1 ZINC000187721974 628276885 /nfs/dbraw/zinc/27/68/85/628276885.db2.gz SNZOSEULQGHZIT-JTQLQIEISA-N 1 0 274.320 2.243 20 10 CECDRO CC[C@H]([NH2+]CCCON)c1ccc(N(C)C)cc1 ZINC000902419909 634644515 /nfs/dbraw/zinc/64/45/15/634644515.db2.gz VMSMKYJXZOVLCC-AWEZNQCLSA-N 1 0 251.374 2.074 20 10 CECDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc(N(C)C)cc1 ZINC000931041060 628340846 /nfs/dbraw/zinc/34/08/46/628340846.db2.gz GILQFVXMMBUDJS-BBRMVZONSA-N 1 0 261.413 2.277 20 10 CECDRO COc1ccc(O)c(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000319387614 628386605 /nfs/dbraw/zinc/38/66/05/628386605.db2.gz DBRCGQZYBQLONY-DLBZAZTESA-N 1 0 298.386 2.328 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000092954122 628562093 /nfs/dbraw/zinc/56/20/93/628562093.db2.gz BKFQCUQWGSKQFQ-BBRMVZONSA-N 1 0 289.423 2.099 20 10 CECDRO CCOC(C[NH2+][C@H](C)c1ccccc1O)OCC ZINC000093447309 628660133 /nfs/dbraw/zinc/66/01/33/628660133.db2.gz SHDDDOBHMPNFQC-LLVKDONJSA-N 1 0 253.342 2.442 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@H](C)CO ZINC000840933632 628750491 /nfs/dbraw/zinc/75/04/91/628750491.db2.gz IRKJCVDWHZQNEK-QWHCGFSZSA-N 1 0 250.386 2.168 20 10 CECDRO COc1ccc(N(C)C[C@H]2CCC[NH2+]C2)cc1F ZINC000259124590 628792755 /nfs/dbraw/zinc/79/27/55/628792755.db2.gz WCJLIGVRHJJPLS-NSHDSACASA-N 1 0 252.333 2.270 20 10 CECDRO C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc(F)cc(F)c1[O-] ZINC000902470282 634687087 /nfs/dbraw/zinc/68/70/87/634687087.db2.gz VXKHHNLZLMIVKZ-SEBFSPHVSA-N 1 0 268.307 2.214 20 10 CECDRO C[C@H](N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccccc1O ZINC000925800829 628848127 /nfs/dbraw/zinc/84/81/27/628848127.db2.gz YBGQMORWEXJOOS-KBPBESRZSA-N 1 0 290.407 2.202 20 10 CECDRO CC(C)(C[NH2+]Cc1cc2c(cc1O)OCO2)OCC1CC1 ZINC000840960390 628916218 /nfs/dbraw/zinc/91/62/18/628916218.db2.gz KKJYBAYYFAEQBV-UHFFFAOYSA-N 1 0 293.363 2.416 20 10 CECDRO CCOc1cccc(C[NH2+]C(C)(C)CC(=O)OC)c1O ZINC000236881919 628969178 /nfs/dbraw/zinc/96/91/78/628969178.db2.gz ZZONSAHZSKSSHW-UHFFFAOYSA-N 1 0 281.352 2.222 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c(O)c1OC ZINC000893899728 629033540 /nfs/dbraw/zinc/03/35/40/629033540.db2.gz HLSBURFUYXMIOX-RISCZKNCSA-N 1 0 295.379 2.266 20 10 CECDRO CCOC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000236975090 629142289 /nfs/dbraw/zinc/14/22/89/629142289.db2.gz LQBRMNJQRYTQHB-ZDUSSCGKSA-N 1 0 296.386 2.177 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCCc2cnn(C)c2)c1O ZINC000894214993 629231426 /nfs/dbraw/zinc/23/14/26/629231426.db2.gz NPMNOFHBQVGUEI-UHFFFAOYSA-N 1 0 289.379 2.165 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCN(CC3CC3)C2)c1O ZINC000894250464 629257778 /nfs/dbraw/zinc/25/77/78/629257778.db2.gz JZILKRSCAAGVHO-OAHLLOKOSA-N 1 0 290.407 2.283 20 10 CECDRO COc1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c(O)c1OC ZINC000894254765 629264760 /nfs/dbraw/zinc/26/47/60/629264760.db2.gz UWGSYEBTOWEWKG-YPMHNXCESA-N 1 0 295.379 2.409 20 10 CECDRO CN1CCCc2cc(CNC(=O)c3ccc(C[NH3+])o3)ccc21 ZINC000237129325 629293159 /nfs/dbraw/zinc/29/31/59/629293159.db2.gz AXTPYQSLXOMBDO-UHFFFAOYSA-N 1 0 299.374 2.051 20 10 CECDRO CC[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(C)cc1O ZINC000794807790 629326547 /nfs/dbraw/zinc/32/65/47/629326547.db2.gz LQWXMJLZNMHVRR-ZBFHGGJFSA-N 1 0 292.423 2.462 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCO[C@H](C)C2)c1O ZINC000894359418 629391081 /nfs/dbraw/zinc/39/10/81/629391081.db2.gz ODYRMWLOQDKZJW-YPMHNXCESA-N 1 0 265.353 2.366 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCN2CC[C@H](C)C2)c1O ZINC000894394194 629426889 /nfs/dbraw/zinc/42/68/89/629426889.db2.gz UXNXBWGYXHXFHH-LBPRGKRZSA-N 1 0 278.396 2.141 20 10 CECDRO COc1cccc(C[NH2+]Cc2cnn(C)c2C2CC2)c1O ZINC000894458420 629472730 /nfs/dbraw/zinc/47/27/30/629472730.db2.gz QXXNQFGJQQPTTI-UHFFFAOYSA-N 1 0 287.363 2.302 20 10 CECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894480160 629485351 /nfs/dbraw/zinc/48/53/51/629485351.db2.gz MIPYCZHIGGVOQA-IHVVCDCBSA-N 1 0 265.353 2.126 20 10 CECDRO [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1CCO ZINC000894501340 629502020 /nfs/dbraw/zinc/50/20/20/629502020.db2.gz WYYYJGDJLBTDFO-NSHDSACASA-N 1 0 257.280 2.017 20 10 CECDRO CCOCC(C)(C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000894616929 629560820 /nfs/dbraw/zinc/56/08/20/629560820.db2.gz VENBLQGQWDJYDP-UHFFFAOYSA-N 1 0 283.368 2.314 20 10 CECDRO COc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c(O)c1OC ZINC000894642039 629570553 /nfs/dbraw/zinc/57/05/53/629570553.db2.gz KJYALJKKHLIIHL-MEDUHNTESA-N 1 0 295.379 2.050 20 10 CECDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000902636937 634757003 /nfs/dbraw/zinc/75/70/03/634757003.db2.gz HIRYNRSRONMCKT-ZBFHGGJFSA-N 1 0 261.365 2.490 20 10 CECDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2O)C1 ZINC000895004480 629788785 /nfs/dbraw/zinc/78/87/85/629788785.db2.gz QUHSPUTXCABPGV-SFHVURJKSA-N 1 0 296.370 2.021 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCc2cncc(C)n2)c1O ZINC000895278692 630075452 /nfs/dbraw/zinc/07/54/52/630075452.db2.gz ASJHQNZPUPNAQZ-UHFFFAOYSA-N 1 0 287.363 2.140 20 10 CECDRO CCC[C@@H](CCO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895418360 630175453 /nfs/dbraw/zinc/17/54/53/630175453.db2.gz NBVFGWVIUVEHCO-ZDUSSCGKSA-N 1 0 267.369 2.350 20 10 CECDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000895432923 630182116 /nfs/dbraw/zinc/18/21/16/630182116.db2.gz GBSSVPSOYYNBHD-OKILXGFUSA-N 1 0 275.348 2.053 20 10 CECDRO COC(=O)[C@H]1[C@H](C[NH2+][C@H](C)c2ccccc2O)C1(F)F ZINC000895460069 630202583 /nfs/dbraw/zinc/20/25/83/630202583.db2.gz ITSWAJXVJGFKED-UBHAPETDSA-N 1 0 285.290 2.097 20 10 CECDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000895663155 630293439 /nfs/dbraw/zinc/29/34/39/630293439.db2.gz OPGHETXYNTVAFC-UHFFFAOYSA-N 1 0 297.395 2.392 20 10 CECDRO Cc1cccc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1O ZINC000895678312 630297020 /nfs/dbraw/zinc/29/70/20/630297020.db2.gz SVZLDJYNUNLNIT-SECBINFHSA-N 1 0 299.239 2.349 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1F ZINC000895780811 630349695 /nfs/dbraw/zinc/34/96/95/630349695.db2.gz VGZVLQTTWSGHDA-IETSOEAISA-N 1 0 296.361 2.234 20 10 CECDRO C[N@H+](CCCF)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000895896628 630395458 /nfs/dbraw/zinc/39/54/58/630395458.db2.gz XNKFVTDIDHUVIN-UHFFFAOYSA-N 1 0 280.387 2.439 20 10 CECDRO COc1cccc(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)c1O ZINC000895926131 630406410 /nfs/dbraw/zinc/40/64/10/630406410.db2.gz WZRMOSXOIVDVCC-CYBMUJFWSA-N 1 0 279.380 2.384 20 10 CECDRO Cc1cc(CC[NH2+]Cc2cccc(C)c2O)nn1C ZINC000896824806 630680604 /nfs/dbraw/zinc/68/06/04/630680604.db2.gz WDVISNRCAAZOII-UHFFFAOYSA-N 1 0 259.353 2.075 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)c1 ZINC000800534012 631133378 /nfs/dbraw/zinc/13/33/78/631133378.db2.gz IUJSGMNKCHTQSD-AWEZNQCLSA-N 1 0 297.420 2.100 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c1O ZINC000808708176 631143242 /nfs/dbraw/zinc/14/32/42/631143242.db2.gz IZTVRFNZKCYAAV-YGRLFVJLSA-N 1 0 285.771 2.156 20 10 CECDRO COc1cccc(C[N@H+](C)Cc2cccc(=O)[nH]2)c1O ZINC000897392093 631277035 /nfs/dbraw/zinc/27/70/35/631277035.db2.gz MPZJEBLDAFWRFP-UHFFFAOYSA-N 1 0 274.320 2.133 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CC[C@@H](C3CC3)O1)OCO2 ZINC000897511711 631602907 /nfs/dbraw/zinc/60/29/07/631602907.db2.gz OVTQIHRRTFUUDP-OCCSQVGLSA-N 1 0 291.347 2.168 20 10 CECDRO COc1cc(Cl)cc(CN2CC[NH2+][C@@H](C(C)C)C2)c1O ZINC000843105909 631644389 /nfs/dbraw/zinc/64/43/89/631644389.db2.gz ZFEUCAOGVWFPSA-CYBMUJFWSA-N 1 0 298.814 2.484 20 10 CECDRO Cc1cc(Br)c(O)c(CN2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000841024796 631803763 /nfs/dbraw/zinc/80/37/63/631803763.db2.gz SPCSDLBYRZWWCA-CABZTGNLSA-N 1 0 299.212 2.385 20 10 CECDRO C[C@H]([NH2+]Cc1cccc(F)c1[O-])[C@@H]1CCC[NH2+]C1 ZINC000841032716 631820242 /nfs/dbraw/zinc/82/02/42/631820242.db2.gz FNZLQYLFLNTKFS-WDEREUQCSA-N 1 0 252.333 2.009 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCc1ccc(N)cc1 ZINC000841037777 632041681 /nfs/dbraw/zinc/04/16/81/632041681.db2.gz XGWZNPUWOMPAKG-UHFFFAOYSA-N 1 0 272.348 2.315 20 10 CECDRO C[NH+](C)CCN(Cc1ccccn1)Cc1ccccc1O ZINC000809741335 632136464 /nfs/dbraw/zinc/13/64/64/632136464.db2.gz SAULCFZTIJJJHZ-UHFFFAOYSA-N 1 0 285.391 2.351 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COC[C@@H]2C2CC2)c1 ZINC000898378888 632185722 /nfs/dbraw/zinc/18/57/22/632185722.db2.gz BJULMVZSSANVIX-VQISRLSMSA-N 1 0 277.364 2.476 20 10 CECDRO CC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)OC ZINC000810176732 632191738 /nfs/dbraw/zinc/19/17/38/632191738.db2.gz TVDAOYVQNITSCY-AWEZNQCLSA-N 1 0 296.386 2.177 20 10 CECDRO CCO[C@H](C[NH2+][C@H](C)c1cc(C)ccc1O)CN(C)C ZINC000926962648 632390208 /nfs/dbraw/zinc/39/02/08/632390208.db2.gz RKLABNPWMXQYBD-ZIAGYGMSSA-N 1 0 280.412 2.318 20 10 CECDRO CC[C@@H](COC)[NH2+]C[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450664 632500382 /nfs/dbraw/zinc/50/03/82/632500382.db2.gz SONNWIGHKWZNAZ-DOTOQJQBSA-N 1 0 293.455 2.370 20 10 CECDRO CCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899101890 632701156 /nfs/dbraw/zinc/70/11/56/632701156.db2.gz NAHVDHRJMMLCTP-HNNXBMFYSA-N 1 0 292.427 2.017 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000813771958 632732947 /nfs/dbraw/zinc/73/29/47/632732947.db2.gz NTRSSRKNOFUMOU-UHFFFAOYSA-N 1 0 294.358 2.322 20 10 CECDRO CC[C@H](O)C[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000813790997 632735232 /nfs/dbraw/zinc/73/52/32/632735232.db2.gz MTPLBZIPVWFGDR-HNNXBMFYSA-N 1 0 278.396 2.025 20 10 CECDRO CC[C@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000813885320 632751455 /nfs/dbraw/zinc/75/14/55/632751455.db2.gz SRANUMIRXQFOQA-QXEWZRGKSA-N 1 0 253.317 2.440 20 10 CECDRO COCC(C)(C)[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000814178550 632800209 /nfs/dbraw/zinc/80/02/09/632800209.db2.gz VAFSIBINHOFMGF-UHFFFAOYSA-N 1 0 292.423 2.380 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@@H]3CN(C)C[C@H]32)ccc1N(C)C ZINC000815120929 632963065 /nfs/dbraw/zinc/96/30/65/632963065.db2.gz PRXBQMLBVUJUKY-NVXWUHKLSA-N 1 0 273.424 2.197 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c(O)c1 ZINC000815160117 632974673 /nfs/dbraw/zinc/97/46/73/632974673.db2.gz PYONITMESVRFMB-WBMJQRKESA-N 1 0 279.380 2.432 20 10 CECDRO OC[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816499498 633402381 /nfs/dbraw/zinc/40/23/81/633402381.db2.gz RXDFGCBTYBLITR-LBPRGKRZSA-N 1 0 257.333 2.360 20 10 CECDRO COC[C@H](O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816559617 633413257 /nfs/dbraw/zinc/41/32/57/633413257.db2.gz PJJNYUFMMLCOIL-CQSZACIVSA-N 1 0 275.348 2.032 20 10 CECDRO COc1cccc(C[NH2+]Cc2cnn(C)c2Cl)c1O ZINC000816610188 633421836 /nfs/dbraw/zinc/42/18/36/633421836.db2.gz BFNLCGIEHZXDKP-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO C[N@@H+]1C[C@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])[C@H]2C1 ZINC000816617216 633451091 /nfs/dbraw/zinc/45/10/91/633451091.db2.gz RCXMKXBJBWTQFZ-RNCFNFMXSA-N 1 0 284.762 2.321 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCN(C)C[C@@H]2CC)c(O)c1 ZINC000816660948 633459098 /nfs/dbraw/zinc/45/90/98/633459098.db2.gz VZYLODATEWVLOF-AWEZNQCLSA-N 1 0 278.396 2.317 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000816914103 633485702 /nfs/dbraw/zinc/48/57/02/633485702.db2.gz DMXXPPBDBHFXJB-AWEZNQCLSA-N 1 0 290.407 2.473 20 10 CECDRO CN(C)c1ccc(CN(C)C[C@H]2CCC[N@@H+]2C)cc1F ZINC000817417950 633656688 /nfs/dbraw/zinc/65/66/88/633656688.db2.gz WZUWEPSQNOBDDJ-CQSZACIVSA-N 1 0 279.403 2.418 20 10 CECDRO NC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000817587603 633702429 /nfs/dbraw/zinc/70/24/29/633702429.db2.gz ZJPLBJSABZNGNR-UBHSHLNASA-N 1 0 288.391 2.261 20 10 CECDRO C[C@H](NCC[NH3+])c1ccc(N2CCCCC2)c(F)c1 ZINC000817934263 633786404 /nfs/dbraw/zinc/78/64/04/633786404.db2.gz FGTQYXVFIKLIIE-LBPRGKRZSA-N 1 0 265.376 2.425 20 10 CECDRO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccnc1 ZINC000817941826 633790045 /nfs/dbraw/zinc/79/00/45/633790045.db2.gz LBOKTBOSLFEVOX-SUMWQHHRSA-N 1 0 284.407 2.498 20 10 CECDRO CC[NH2+]CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817943154 633791386 /nfs/dbraw/zinc/79/13/86/633791386.db2.gz JMVGCOUUBXKWHZ-VIFPVBQESA-N 1 0 258.312 2.321 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817946279 633793359 /nfs/dbraw/zinc/79/33/59/633793359.db2.gz VEIUSOQIPROIJD-NXEZZACHSA-N 1 0 270.323 2.321 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817946282 633793865 /nfs/dbraw/zinc/79/38/65/633793865.db2.gz VEIUSOQIPROIJD-ZJUUUORDSA-N 1 0 270.323 2.321 20 10 CECDRO C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817955556 633799457 /nfs/dbraw/zinc/79/94/57/633799457.db2.gz YUBWLQLWILUYQT-NXEZZACHSA-N 1 0 270.323 2.321 20 10 CECDRO Cc1nn(C)cc1[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817955675 633799806 /nfs/dbraw/zinc/79/98/06/633799806.db2.gz FGPGBSZCUYSSRW-NSHDSACASA-N 1 0 258.369 2.204 20 10 CECDRO CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959895 633803630 /nfs/dbraw/zinc/80/36/30/633803630.db2.gz WKGLEXBEOPAZRZ-UFBFGSQYSA-N 1 0 258.312 2.304 20 10 CECDRO CC[C@@H]([NH2+]CC1C[NH2+]C1)c1cccc(Cl)c1[O-] ZINC000817964724 633807159 /nfs/dbraw/zinc/80/71/59/633807159.db2.gz GGZQPYKJZZCTFD-GFCCVEGCSA-N 1 0 254.761 2.306 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817971045 633814047 /nfs/dbraw/zinc/81/40/47/633814047.db2.gz JPAGBSNVOMMBRB-MWODSPESSA-N 1 0 270.323 2.319 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000817972657 633815052 /nfs/dbraw/zinc/81/50/52/633815052.db2.gz ZHJVJGDTMADSBO-WCABBAIRSA-N 1 0 270.323 2.462 20 10 CECDRO Cc1ccc([C@@H](C)N[C@@H]2C[NH2+]CCC2(F)F)c(O)c1 ZINC000817979441 633821114 /nfs/dbraw/zinc/82/11/14/633821114.db2.gz BBGMKUDDHHZALO-ZWNOBZJWSA-N 1 0 270.323 2.348 20 10 CECDRO NC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCCC1 ZINC000817981687 633824289 /nfs/dbraw/zinc/82/42/89/633824289.db2.gz MPTMIPQYBZEZLJ-KBPBESRZSA-N 1 0 260.381 2.487 20 10 CECDRO C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817984806 633827855 /nfs/dbraw/zinc/82/78/55/633827855.db2.gz AIJPLLNWXSAIOI-LLVKDONJSA-N 1 0 264.344 2.492 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901055245 633941039 /nfs/dbraw/zinc/94/10/39/633941039.db2.gz LBVBMYVLINBUME-LSDHHAIUSA-N 1 0 288.391 2.368 20 10 CECDRO C[NH2+]C[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000818608079 633958798 /nfs/dbraw/zinc/95/87/98/633958798.db2.gz LIASQXGNALLGAR-CQSZACIVSA-N 1 0 291.439 2.345 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000818615100 633960992 /nfs/dbraw/zinc/96/09/92/633960992.db2.gz LYXGQONQOLCKDC-OASPWFOLSA-N 1 0 279.340 2.221 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c1 ZINC000902867766 634862846 /nfs/dbraw/zinc/86/28/46/634862846.db2.gz FBEUWSZFZQVAPX-AZGDMVHKSA-N 1 0 289.375 2.304 20 10 CECDRO C[N@H+](Cc1ccccc1O)[C@H]1CCN(C(C)(C)C)C1=O ZINC000822739274 634984577 /nfs/dbraw/zinc/98/45/77/634984577.db2.gz CIOIZGBJYYLDLX-ZDUSSCGKSA-N 1 0 276.380 2.223 20 10 CECDRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccccc1O ZINC000822812846 635001128 /nfs/dbraw/zinc/00/11/28/635001128.db2.gz OHEPJQQDASXVIW-AAEUAGOBSA-N 1 0 276.380 2.442 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCN2CCCOCC2)c(O)c1C ZINC000903228604 635027625 /nfs/dbraw/zinc/02/76/25/635027625.db2.gz SRYXTYKWEJEGAM-HNNXBMFYSA-N 1 0 292.423 2.382 20 10 CECDRO CC[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(C)cc1O ZINC000903261268 635034321 /nfs/dbraw/zinc/03/43/21/635034321.db2.gz VNXLZAGMOMIPFT-ORHYLEIMSA-N 1 0 276.380 2.395 20 10 CECDRO CC[C@@H](CN1CCOCC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000903342011 635069716 /nfs/dbraw/zinc/06/97/16/635069716.db2.gz AREQRFXZVABMNJ-GJZGRUSLSA-N 1 0 290.407 2.080 20 10 CECDRO CC[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000903342995 635070158 /nfs/dbraw/zinc/07/01/58/635070158.db2.gz LVQTXLRGEYTREO-HUUCEWRRSA-N 1 0 292.423 2.462 20 10 CECDRO Oc1cccc(Cl)c1CNC[C@H]1C[NH2+]CCC1(F)F ZINC000903955842 635389587 /nfs/dbraw/zinc/38/95/87/635389587.db2.gz ZYTJRVXNANESDN-SECBINFHSA-N 1 0 290.741 2.380 20 10 CECDRO [NH3+][C@@H]1CN(Cc2cccc(F)c2O)CC[C@H]1C(F)(F)F ZINC000903984285 635403110 /nfs/dbraw/zinc/40/31/10/635403110.db2.gz SBXOOXKQWAIJKI-MWLCHTKSSA-N 1 0 292.276 2.243 20 10 CECDRO Cc1cc(O)c(CN(C)CC(=O)NC2CC2)cc1Cl ZINC000824534520 635444306 /nfs/dbraw/zinc/44/43/06/635444306.db2.gz FSPDPILCXHQCMO-UHFFFAOYSA-N 1 0 282.771 2.064 20 10 CECDRO CC[C@@H]([NH2+]CC[C@@](C)(O)COC)c1ccccc1O ZINC000824559321 635450433 /nfs/dbraw/zinc/45/04/33/635450433.db2.gz PEHLQUSATOVNGE-UKRRQHHQSA-N 1 0 267.369 2.220 20 10 CECDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000824636767 635468493 /nfs/dbraw/zinc/46/84/93/635468493.db2.gz SMYINSUMEWMIBR-ZFWWWQNUSA-N 1 0 280.387 2.485 20 10 CECDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000824636763 635468603 /nfs/dbraw/zinc/46/86/03/635468603.db2.gz SMYINSUMEWMIBR-HIFRSBDPSA-N 1 0 280.387 2.485 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1 ZINC000824653790 635471040 /nfs/dbraw/zinc/47/10/40/635471040.db2.gz IASOXGULSFDJQS-NUEKZKHPSA-N 1 0 291.391 2.062 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000824703168 635480856 /nfs/dbraw/zinc/48/08/56/635480856.db2.gz XKKRPVMDLKFTFI-KGLIPLIRSA-N 1 0 277.364 2.440 20 10 CECDRO C[N@@H+]1CC[C@@H]2CN(Cc3c([O-])ccc(Cl)c3F)C[C@@H]21 ZINC000824892827 635519307 /nfs/dbraw/zinc/51/93/07/635519307.db2.gz CLPXUEXZXBETLO-SKDRFNHKSA-N 1 0 284.762 2.321 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](CC)c1ccccc1O ZINC000825196680 635589367 /nfs/dbraw/zinc/58/93/67/635589367.db2.gz LZFDPVONVZEYGE-UMVBOHGHSA-N 1 0 265.353 2.237 20 10 CECDRO [NH3+]CC[C@H](NCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000904358316 635590281 /nfs/dbraw/zinc/59/02/81/635590281.db2.gz KVPOZRUDEPCHCW-ZDUSSCGKSA-N 1 0 288.313 2.381 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)CCO)cc1Cl ZINC000825320349 635614819 /nfs/dbraw/zinc/61/48/19/635614819.db2.gz JDZAXYUUVQIMBX-VIFPVBQESA-N 1 0 257.761 2.462 20 10 CECDRO O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1Cc2cccc(O)c2C1 ZINC000825356219 635624428 /nfs/dbraw/zinc/62/44/28/635624428.db2.gz NNOFHKJPDVNMNE-HNNXBMFYSA-N 1 0 286.375 2.251 20 10 CECDRO CN(C)c1ccc(/C=C\CN[C@H]2C[NH2+]CC2(C)C)cc1 ZINC000904462127 635634307 /nfs/dbraw/zinc/63/43/07/635634307.db2.gz NKSDAFLXLKZLLK-KJPDOMRESA-N 1 0 273.424 2.353 20 10 CECDRO COC[C@]1(CO)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826096739 635761098 /nfs/dbraw/zinc/76/10/98/635761098.db2.gz BEXRGHHAYUNINY-OAHLLOKOSA-N 1 0 299.798 2.185 20 10 CECDRO CO[C@@]1(CO)CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000826952412 636169687 /nfs/dbraw/zinc/16/96/87/636169687.db2.gz JYZPPIKEGJQMTO-AWEZNQCLSA-N 1 0 285.771 2.019 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@H]2COCCO2)cc1 ZINC000827140352 636233658 /nfs/dbraw/zinc/23/36/58/636233658.db2.gz KWLSCFYHBPSQJJ-BDUNBXCCSA-N 1 0 290.407 2.113 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000827341244 636299416 /nfs/dbraw/zinc/29/94/16/636299416.db2.gz YEANBUULJTUFSW-INIZCTEOSA-N 1 0 289.423 2.276 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC(=O)N(C)CC2)c1O ZINC000827358888 636302658 /nfs/dbraw/zinc/30/26/58/636302658.db2.gz FVVGAOLFBBKHNJ-UHFFFAOYSA-N 1 0 282.771 2.018 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1O ZINC000827365025 636304853 /nfs/dbraw/zinc/30/48/53/636304853.db2.gz IZRLVYWALDFTEY-OLZOCXBDSA-N 1 0 297.782 2.447 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c1O ZINC000827692272 636392536 /nfs/dbraw/zinc/39/25/36/636392536.db2.gz HDBRHZKIJXUARZ-LRDDRELGSA-N 1 0 263.381 2.405 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCO[C@H](C)CC2)cc1OC ZINC000905740099 636426609 /nfs/dbraw/zinc/42/66/09/636426609.db2.gz QXBGQQWEHULOGY-LLVKDONJSA-N 1 0 281.352 2.020 20 10 CECDRO C[C@H](NC(=O)CC[NH2+]C(C)(C)C)c1ccccc1O ZINC000828539467 636624218 /nfs/dbraw/zinc/62/42/18/636624218.db2.gz PFCMJSHOYGYOEM-NSHDSACASA-N 1 0 264.369 2.348 20 10 CECDRO [NH3+]C1CC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000906510746 636761389 /nfs/dbraw/zinc/76/13/89/636761389.db2.gz UNKKFVPQRIDMDY-UHFFFAOYSA-N 1 0 261.152 2.278 20 10 CECDRO CCCC[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000906537619 636777929 /nfs/dbraw/zinc/77/79/29/636777929.db2.gz DVFSUNWMWLWYKA-UHFFFAOYSA-N 1 0 289.423 2.278 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000829763914 636924778 /nfs/dbraw/zinc/92/47/78/636924778.db2.gz COHAZTONNBMACZ-KBPBESRZSA-N 1 0 289.423 2.065 20 10 CECDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@]1(OC)CCOC1 ZINC000876522510 650302215 /nfs/dbraw/zinc/30/22/15/650302215.db2.gz SWFPLRFZIKUGIE-KRWDZBQOSA-N 1 0 292.423 2.380 20 10 CECDRO OC1CCN(c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000876524462 650303045 /nfs/dbraw/zinc/30/30/45/650303045.db2.gz RAFKQKGANJGUIA-UHFFFAOYSA-N 1 0 260.381 2.244 20 10 CECDRO CC(C)C[C@@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597975 637107310 /nfs/dbraw/zinc/10/73/10/637107310.db2.gz XFJLRCIXYLBNSC-OAHLLOKOSA-N 1 0 290.407 2.261 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000876528021 650305424 /nfs/dbraw/zinc/30/54/24/650305424.db2.gz PBWCYTVTSDQVTM-UHFFFAOYSA-N 1 0 283.375 2.418 20 10 CECDRO Cc1ccc(C[N@H+](C)CC(=O)NCc2ccco2)c(O)c1 ZINC000876543164 650314905 /nfs/dbraw/zinc/31/49/05/650314905.db2.gz GWXILALKKJSQOZ-UHFFFAOYSA-N 1 0 288.347 2.042 20 10 CECDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(N)cc1 ZINC000832250711 637527000 /nfs/dbraw/zinc/52/70/00/637527000.db2.gz ZFYIYFZLXUTBQP-AWEZNQCLSA-N 1 0 261.369 2.472 20 10 CECDRO COCCN1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834562667 637868199 /nfs/dbraw/zinc/86/81/99/637868199.db2.gz UYGPOJZGWYVXJM-CABCVRRESA-N 1 0 290.407 2.080 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCOC[C@@H]1CCCO1)CC2 ZINC000834588334 637882605 /nfs/dbraw/zinc/88/26/05/637882605.db2.gz AXOJEIMKPIMJRZ-UONOGXRCSA-N 1 0 277.364 2.165 20 10 CECDRO C[C@H]1CCN(CC[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000834611531 637889858 /nfs/dbraw/zinc/88/98/58/637889858.db2.gz MJHJMRIJJLRFKQ-JSGCOSHPSA-N 1 0 260.381 2.311 20 10 CECDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834880484 637976644 /nfs/dbraw/zinc/97/66/44/637976644.db2.gz FWTIHGWCBOWIKO-KCQAQPDRSA-N 1 0 277.364 2.021 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000834890656 637978862 /nfs/dbraw/zinc/97/88/62/637978862.db2.gz LOQKOQFPQBZRDC-SOUVJXGZSA-N 1 0 290.407 2.214 20 10 CECDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000834898690 637981726 /nfs/dbraw/zinc/98/17/26/637981726.db2.gz BLSXIJLGJQVTKA-NEPJUHHUSA-N 1 0 290.407 2.446 20 10 CECDRO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCCO ZINC000835025782 638028657 /nfs/dbraw/zinc/02/86/57/638028657.db2.gz JVOAPDOAOQUGNH-ALCCZGGFSA-N 1 0 262.397 2.470 20 10 CECDRO CCNC(=O)CN(CC)C/C=C/c1ccc(N(C)C)cc1 ZINC000835024673 638029301 /nfs/dbraw/zinc/02/93/01/638029301.db2.gz ATPNHFADVLJNER-BQYQJAHWSA-N 1 0 289.423 2.224 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000835028853 638030444 /nfs/dbraw/zinc/03/04/44/638030444.db2.gz UFGYLHMIHKXBRE-BWPKMQGJSA-N 1 0 260.381 2.080 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CCCN(C)C2)cc1 ZINC000835036510 638033300 /nfs/dbraw/zinc/03/33/00/638033300.db2.gz QORWOLOIZHAUPI-MQDFFIGUSA-N 1 0 273.424 2.450 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(CO)CC2)cc1 ZINC000835041764 638034879 /nfs/dbraw/zinc/03/48/79/638034879.db2.gz DSSQAOCPOGSULW-ONEGZZNKSA-N 1 0 260.381 2.128 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCc2cnccn2)cc1 ZINC000835043232 638035421 /nfs/dbraw/zinc/03/54/21/638035421.db2.gz RGSMGYWAOPBIFM-ARJAWSKDSA-N 1 0 282.391 2.388 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1 ZINC000835053108 638040493 /nfs/dbraw/zinc/04/04/93/638040493.db2.gz BCQIUEOFUJYESF-MJSXRHKHSA-N 1 0 296.361 2.468 20 10 CECDRO CCOc1cccc(C[NH2+]CCc2cnc(C)cn2)c1O ZINC000835062108 638044554 /nfs/dbraw/zinc/04/45/54/638044554.db2.gz RHJQESIUOTZBLY-UHFFFAOYSA-N 1 0 287.363 2.222 20 10 CECDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCOc2cc(F)ccc21 ZINC000876667489 650389645 /nfs/dbraw/zinc/38/96/45/650389645.db2.gz FAPRWPXUGHDAOV-MJRJWQSSSA-N 1 0 290.338 2.107 20 10 CECDRO CO[C@@H](C)c1noc(CN(C)Cc2ccc(C)cc2O)n1 ZINC000876794477 650434827 /nfs/dbraw/zinc/43/48/27/650434827.db2.gz AHCICPXAZBUBPJ-NSHDSACASA-N 1 0 291.351 2.423 20 10 CECDRO CC[NH2+][C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000876874104 650468015 /nfs/dbraw/zinc/46/80/15/650468015.db2.gz ABQWJUVTQNNGKG-AWEZNQCLSA-N 1 0 291.439 2.488 20 10 CECDRO COc1ncccc1C[NH2+]Cc1c(C)cccc1O ZINC000876925581 650488485 /nfs/dbraw/zinc/48/84/85/650488485.db2.gz MIPUUIFREAOMAY-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO COc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)ccn1 ZINC000057395089 639444314 /nfs/dbraw/zinc/44/43/14/639444314.db2.gz UZOXONGSMUTKHD-UHFFFAOYSA-N 1 0 271.364 2.446 20 10 CECDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000224268461 639445953 /nfs/dbraw/zinc/44/59/53/639445953.db2.gz NJNHJKGBDNDCCD-OAHLLOKOSA-N 1 0 250.386 2.249 20 10 CECDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000224269530 639445961 /nfs/dbraw/zinc/44/59/61/639445961.db2.gz SCNAHPCYYTWHKZ-QGZVFWFLSA-N 1 0 292.423 2.020 20 10 CECDRO COc1ccc(N(C)C(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1 ZINC000876944475 650499399 /nfs/dbraw/zinc/49/93/99/650499399.db2.gz MCRUBXOEQATPHT-KADSFNECSA-N 1 0 274.364 2.214 20 10 CECDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(N)cc3)CC[C@@H]21 ZINC000166707701 639480025 /nfs/dbraw/zinc/48/00/25/639480025.db2.gz SHQWCRYRQKEMHE-WFASDCNBSA-N 1 0 288.395 2.217 20 10 CECDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000840826221 639553710 /nfs/dbraw/zinc/55/37/10/639553710.db2.gz IFDXOJKMGPXKFG-KWCYVHTRSA-N 1 0 265.353 2.073 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CCN1C ZINC000226612769 639556164 /nfs/dbraw/zinc/55/61/64/639556164.db2.gz WRGSLHMGTXPBLZ-MFKMUULPSA-N 1 0 252.333 2.104 20 10 CECDRO CC[NH+]1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840908523 639581288 /nfs/dbraw/zinc/58/12/88/639581288.db2.gz SFPPKPVSXTYLQR-UHFFFAOYSA-N 1 0 261.413 2.199 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(OCCO)CC1 ZINC000840918750 639585530 /nfs/dbraw/zinc/58/55/30/639585530.db2.gz JGIJXABIWJIBBI-UHFFFAOYSA-N 1 0 292.423 2.034 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C)C[C@@H]1O ZINC000840920012 639587336 /nfs/dbraw/zinc/58/73/36/639587336.db2.gz CPMKNXPSNTXMCH-CJNGLKHVSA-N 1 0 262.397 2.264 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)c1cccnc1 ZINC000840938155 639592213 /nfs/dbraw/zinc/59/22/13/639592213.db2.gz ZWLSJBFOVYWSLI-QGZVFWFLSA-N 1 0 285.391 2.279 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000840938712 639592493 /nfs/dbraw/zinc/59/24/93/639592493.db2.gz QWZGHTBEIRHBDX-MRXNPFEDSA-N 1 0 285.395 2.100 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCO[C@H]1CCOC1 ZINC000840939458 639594310 /nfs/dbraw/zinc/59/43/10/639594310.db2.gz USTJCLZZQSFCRW-KRWDZBQOSA-N 1 0 292.423 2.346 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000840949830 639597911 /nfs/dbraw/zinc/59/79/11/639597911.db2.gz CNMRCIAEKMZVPY-PBHICJAKSA-N 1 0 292.423 2.033 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C2(C(=O)N(C)C)CC2)c1O ZINC000840957222 639601675 /nfs/dbraw/zinc/60/16/75/639601675.db2.gz KAIJDTCAHXMESF-UHFFFAOYSA-N 1 0 282.771 2.064 20 10 CECDRO Cc1cc(O)c(CN2CC[C@H]([NH3+])[C@@H]2C)c(Cl)c1 ZINC000841024778 639620609 /nfs/dbraw/zinc/62/06/09/639620609.db2.gz RSCLCGXITHNNCR-CABZTGNLSA-N 1 0 254.761 2.276 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](CN)C2CC2)cc1 ZINC000841028092 639621069 /nfs/dbraw/zinc/62/10/69/639621069.db2.gz LNPFCCIIWAVSSC-INIZCTEOSA-N 1 0 261.413 2.360 20 10 CECDRO CC(C)[C@@H]([NH3+])CNC/C=C\c1ccc(N(C)C)cc1 ZINC000841031467 639623866 /nfs/dbraw/zinc/62/38/66/639623866.db2.gz SIGFLESETLRCBR-KJPDOMRESA-N 1 0 261.413 2.339 20 10 CECDRO CCOCc1cc(CNC[C@H]2CCC[NH2+]2)ccc1OC ZINC000841035135 639626358 /nfs/dbraw/zinc/62/63/58/639626358.db2.gz HTLJFEYZCAXGES-OAHLLOKOSA-N 1 0 278.396 2.073 20 10 CECDRO COCc1cnc(C[NH2+]CCc2ccc(N)cc2)s1 ZINC000841035379 639628133 /nfs/dbraw/zinc/62/81/33/639628133.db2.gz NFYLUHJUCFVQKR-UHFFFAOYSA-N 1 0 277.393 2.204 20 10 CECDRO CC[NH2+]CCNCc1cc(Br)cc(C)c1O ZINC000841037698 639628480 /nfs/dbraw/zinc/62/84/80/639628480.db2.gz SMLUBGQCFRPHRY-UHFFFAOYSA-N 1 0 287.201 2.162 20 10 CECDRO COc1cccc(CNc2ccc(OCC[NH3+])cc2)c1O ZINC000841053207 639633244 /nfs/dbraw/zinc/63/32/44/639633244.db2.gz NXFZLSOLOFDDQV-UHFFFAOYSA-N 1 0 288.347 2.350 20 10 CECDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000841059003 639636969 /nfs/dbraw/zinc/63/69/69/639636969.db2.gz IYMWOIFCGALOKD-RHSMWYFYSA-N 1 0 273.424 2.374 20 10 CECDRO CC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC[NH2+]CC1 ZINC000841065096 639640653 /nfs/dbraw/zinc/64/06/53/639640653.db2.gz MVLNEOUMGWKNML-UHFFFAOYSA-N 1 0 272.751 2.416 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841068637 639642701 /nfs/dbraw/zinc/64/27/01/639642701.db2.gz FREPNCBLFZSBHM-INIZCTEOSA-N 1 0 298.386 2.377 20 10 CECDRO [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000841084967 639649706 /nfs/dbraw/zinc/64/97/06/639649706.db2.gz RBBSGUJFYFPKSU-ONGXEEELSA-N 1 0 254.761 2.263 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CN)C(C)(C)C)c1 ZINC000841087723 639651483 /nfs/dbraw/zinc/65/14/83/639651483.db2.gz RQILOSFIHIFHTH-CQSZACIVSA-N 1 0 266.385 2.254 20 10 CECDRO CC[C@H]([NH2+]CCc1ccn(C)n1)c1ccccc1O ZINC000229578689 639708713 /nfs/dbraw/zinc/70/87/13/639708713.db2.gz DDKCLFLKVUVEJH-AWEZNQCLSA-N 1 0 259.353 2.409 20 10 CECDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841297618 639731732 /nfs/dbraw/zinc/73/17/32/639731732.db2.gz HQZZOODQAFKEBN-CQSZACIVSA-N 1 0 276.384 2.217 20 10 CECDRO O[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000230666703 639776913 /nfs/dbraw/zinc/77/69/13/639776913.db2.gz AEVQLIIHGPPYIQ-IUODEOHRSA-N 1 0 261.365 2.262 20 10 CECDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000230688145 639781469 /nfs/dbraw/zinc/78/14/69/639781469.db2.gz BMZSXGINGPUOIF-KRWDZBQOSA-N 1 0 292.423 2.020 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2CCOCC(F)(F)F ZINC000062801611 639784835 /nfs/dbraw/zinc/78/48/35/639784835.db2.gz RVACVGQKGFUWSU-UHFFFAOYSA-N 1 0 288.313 2.477 20 10 CECDRO Cn1ccc(CC[NH2+]Cc2cc(Cl)ccc2O)n1 ZINC000230880574 639798679 /nfs/dbraw/zinc/79/86/79/639798679.db2.gz YRYPGBVERMRBCM-UHFFFAOYSA-N 1 0 265.744 2.111 20 10 CECDRO C[C@H](C[S@@](C)=O)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841753907 639858437 /nfs/dbraw/zinc/85/84/37/639858437.db2.gz OJGAGXNEKLHNTM-CGMALJKESA-N 1 0 275.801 2.463 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccc(Cl)cc2O)n1 ZINC000841753985 639858865 /nfs/dbraw/zinc/85/88/65/639858865.db2.gz OWGXGICWCBKZIO-QMMMGPOBSA-N 1 0 280.759 2.365 20 10 CECDRO C[C@H]([NH2+]CC(C)(C)OCCO)c1ccc(Cl)cc1O ZINC000841757358 639859831 /nfs/dbraw/zinc/85/98/31/639859831.db2.gz NQLVKWICZWNRMA-JTQLQIEISA-N 1 0 287.787 2.484 20 10 CECDRO CN(Cc1ccccc1O)C(=O)NCC1([NH3+])CCCCC1 ZINC000841922383 639906473 /nfs/dbraw/zinc/90/64/73/639906473.db2.gz FYTCVSLPFNXDFS-UHFFFAOYSA-N 1 0 291.395 2.195 20 10 CECDRO [NH3+]C[C@H](NC(=O)NCc1ccccc1O)C1CCCCC1 ZINC000841940738 639908535 /nfs/dbraw/zinc/90/85/35/639908535.db2.gz TVSZRCOARMDBLB-AWEZNQCLSA-N 1 0 291.395 2.099 20 10 CECDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)C[NH3+] ZINC000841971407 639913455 /nfs/dbraw/zinc/91/34/55/639913455.db2.gz PUZNMRBCZUCBRR-CYBMUJFWSA-N 1 0 292.427 2.020 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000842008143 639918350 /nfs/dbraw/zinc/91/83/50/639918350.db2.gz WBDVXOVJNQKVSR-OLZOCXBDSA-N 1 0 293.411 2.440 20 10 CECDRO CCCC[C@](C)(CO)[NH2+]Cc1cccc(OC)c1O ZINC000842746126 640167140 /nfs/dbraw/zinc/16/71/40/640167140.db2.gz JRYYLBUOJGGBBI-OAHLLOKOSA-N 1 0 267.369 2.432 20 10 CECDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000842754602 640170674 /nfs/dbraw/zinc/17/06/74/640170674.db2.gz QSWDLJPRPYGNJB-PWSUYJOCSA-N 1 0 281.352 2.008 20 10 CECDRO Cc1cc(Br)cc(CN2CC[C@H](C[NH3+])C2)c1O ZINC000843048435 640252501 /nfs/dbraw/zinc/25/25/01/640252501.db2.gz URBNRZCJVGPLCG-SNVBAGLBSA-N 1 0 299.212 2.244 20 10 CECDRO C[NH2+][C@@H]1CCCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000843048712 640253614 /nfs/dbraw/zinc/25/36/14/640253614.db2.gz SCICYKBCCSHVCK-OAHLLOKOSA-N 1 0 261.413 2.245 20 10 CECDRO Cc1cc(O)c(CN2CC[NH2+]C[C@@H]2C(F)F)cc1C ZINC000843124974 640290485 /nfs/dbraw/zinc/29/04/85/640290485.db2.gz UEMYHWDDKKOCGH-GFCCVEGCSA-N 1 0 270.323 2.048 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000843128904 640295295 /nfs/dbraw/zinc/29/52/95/640295295.db2.gz YYBLETVZXCMMJT-HIFRSBDPSA-N 1 0 277.387 2.076 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[C@H]([NH3+])[C@H](C)C2)c1O ZINC000843353770 640400690 /nfs/dbraw/zinc/40/06/90/640400690.db2.gz PSCNPJKPLVRVNW-OTYXRUKQSA-N 1 0 296.798 2.417 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843353954 640400709 /nfs/dbraw/zinc/40/07/09/640400709.db2.gz RUQGEWPQYLFFLR-PWSUYJOCSA-N 1 0 294.370 2.293 20 10 CECDRO [NH3+]CCOCCN1CCCc2cc(OC(F)F)ccc21 ZINC000843358626 640402744 /nfs/dbraw/zinc/40/27/44/640402744.db2.gz IYSVGXPGNCCOTJ-UHFFFAOYSA-N 1 0 286.322 2.016 20 10 CECDRO CCC[N@H+](Cc1cc2c(cc1O)OCO2)[C@H]1CCN(C)C1 ZINC000843421364 640422950 /nfs/dbraw/zinc/42/29/50/640422950.db2.gz CIOKYGKXMNBZMJ-ZDUSSCGKSA-N 1 0 292.379 2.037 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CCS[C@@H]2C)cc1OC ZINC000843435095 640430321 /nfs/dbraw/zinc/43/03/21/640430321.db2.gz QFIRXEZOUVVNTI-MWLCHTKSSA-N 1 0 283.393 2.393 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccccc1O ZINC000844313017 640673351 /nfs/dbraw/zinc/67/33/51/640673351.db2.gz PQQFNDNHZGFSAY-OCCSQVGLSA-N 1 0 290.363 2.416 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@H](O)C(C)(C)C)cc1 ZINC000844402302 640709171 /nfs/dbraw/zinc/70/91/71/640709171.db2.gz SKQURTCMPNINEP-INIZCTEOSA-N 1 0 294.439 2.470 20 10 CECDRO CC[N@H+](CCNC(=O)NCc1c(O)cccc1F)C(C)C ZINC000916165787 640739233 /nfs/dbraw/zinc/73/92/33/640739233.db2.gz WZCNSIHEVFWDFU-UHFFFAOYSA-N 1 0 297.374 2.061 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@H]1CNc3ccccc3C1)OCO2 ZINC000844904914 640861570 /nfs/dbraw/zinc/86/15/70/640861570.db2.gz FDKIEYRPPKJADB-CYBMUJFWSA-N 1 0 298.342 2.247 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)CCF)c(Cl)c1 ZINC000846096113 641179417 /nfs/dbraw/zinc/17/94/17/641179417.db2.gz FMDLONYCMMLLSA-VIFPVBQESA-N 1 0 261.724 2.164 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](C)[C@H](C)CCO)c1O ZINC000846111492 641185488 /nfs/dbraw/zinc/18/54/88/641185488.db2.gz QBBAGLGFPXXFSH-SECBINFHSA-N 1 0 273.760 2.257 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000846156551 641206090 /nfs/dbraw/zinc/20/60/90/641206090.db2.gz FYDOUQYCNLUUFC-UFBFGSQYSA-N 1 0 293.285 2.365 20 10 CECDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846165842 641209587 /nfs/dbraw/zinc/20/95/87/641209587.db2.gz ZQWJIEMVDVGCEG-RUULKOMLSA-N 1 0 265.353 2.379 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1O ZINC000846169029 641210337 /nfs/dbraw/zinc/21/03/37/641210337.db2.gz XHDFKORJEVPOGZ-RYUDHWBXSA-N 1 0 292.379 2.062 20 10 CECDRO COCC[C@@H](COC)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846172918 641212406 /nfs/dbraw/zinc/21/24/06/641212406.db2.gz PPESYYTYJYQJFA-NEPJUHHUSA-N 1 0 283.368 2.103 20 10 CECDRO C[C@@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)c1ccccc1O ZINC000877256124 650644363 /nfs/dbraw/zinc/64/43/63/650644363.db2.gz NVYAITMEBNGQMX-PXAZEXFGSA-N 1 0 296.370 2.456 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)OC(C)C)c1 ZINC000182435856 641659128 /nfs/dbraw/zinc/65/91/28/641659128.db2.gz WPZKQYAHDXNIES-LLVKDONJSA-N 1 0 281.352 2.393 20 10 CECDRO CCCN(Cc1ccc(N(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000071314630 641740037 /nfs/dbraw/zinc/74/00/37/641740037.db2.gz WWPYMRFUFFAMIP-INIZCTEOSA-N 1 0 261.413 2.327 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)C(F)(F)F)cc1 ZINC000183923113 641818274 /nfs/dbraw/zinc/81/82/74/641818274.db2.gz UKBQFGYXNWSQCC-LBPRGKRZSA-N 1 0 276.302 2.108 20 10 CECDRO Cc1ccc(C[NH2+]CCc2cn3c(n2)SCC3)c(O)c1 ZINC000877395330 650704444 /nfs/dbraw/zinc/70/44/44/650704444.db2.gz XKHOOUJQRLXNKO-UHFFFAOYSA-N 1 0 289.404 2.335 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877402089 650707565 /nfs/dbraw/zinc/70/75/65/650707565.db2.gz XFELCECGVCMTDS-UHFFFAOYSA-N 1 0 263.337 2.134 20 10 CECDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185530162 641989739 /nfs/dbraw/zinc/98/97/39/641989739.db2.gz GEJYENDEVSNJJN-NEPJUHHUSA-N 1 0 269.410 2.465 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000848532620 642039370 /nfs/dbraw/zinc/03/93/70/642039370.db2.gz JPZBWFXJCWXWFP-UHFFFAOYSA-N 1 0 257.337 2.215 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000877429143 650716486 /nfs/dbraw/zinc/71/64/86/650716486.db2.gz CDUUZGKYSHIYJF-LBPRGKRZSA-N 1 0 257.337 2.002 20 10 CECDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(C)cc2O)C1(C)C ZINC000877459824 650729129 /nfs/dbraw/zinc/72/91/29/650729129.db2.gz LURRYBVYEYLBPF-NVXWUHKLSA-N 1 0 293.407 2.356 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@H]2C(=O)OC)c1O ZINC000848880353 642168131 /nfs/dbraw/zinc/16/81/31/642168131.db2.gz GBNWZTYQSDPKOD-ZDUSSCGKSA-N 1 0 263.337 2.092 20 10 CECDRO CCc1cccc(C[NH2+]CCN2CCOCC2(C)C)c1O ZINC000848901373 642180628 /nfs/dbraw/zinc/18/06/28/642180628.db2.gz YMRKLOQPFNTKGF-UHFFFAOYSA-N 1 0 292.423 2.155 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)c1O ZINC000848905682 642182583 /nfs/dbraw/zinc/18/25/83/642182583.db2.gz LFHNILJNSCQYHG-BUXKBTBVSA-N 1 0 281.421 2.298 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1O ZINC000848906324 642183293 /nfs/dbraw/zinc/18/32/93/642183293.db2.gz SYBIHPONGOAFPW-OAHLLOKOSA-N 1 0 288.391 2.151 20 10 CECDRO CCc1cccc(C[NH2+][C@H](COC)[C@H]2CCCO2)c1O ZINC000848907175 642184019 /nfs/dbraw/zinc/18/40/19/642184019.db2.gz JTHKVJTYKUOKLX-HUUCEWRRSA-N 1 0 279.380 2.238 20 10 CECDRO CN(C(=[NH2+])NCc1cc(Br)ccc1O)C1CC1 ZINC000849027685 642240787 /nfs/dbraw/zinc/24/07/87/642240787.db2.gz DXXZRRXRFVTFOD-UHFFFAOYSA-N 1 0 298.184 2.273 20 10 CECDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000850011365 642541221 /nfs/dbraw/zinc/54/12/21/642541221.db2.gz OTQPPVSSTAAKBZ-TUKIKUTGSA-N 1 0 276.380 2.040 20 10 CECDRO Cc1ccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c(O)c1 ZINC000877514347 650759749 /nfs/dbraw/zinc/75/97/49/650759749.db2.gz KHIFFRBFVIOOQD-MRXNPFEDSA-N 1 0 277.364 2.082 20 10 CECDRO c1[nH]nc2c1C[C@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000921760210 642586215 /nfs/dbraw/zinc/58/62/15/642586215.db2.gz GAIUOVHSERLMBA-OAHLLOKOSA-N 1 0 283.375 2.382 20 10 CECDRO Cc1ncc(C[NH2+]Cc2ccc(N(C)C)cc2C)n1C ZINC000850138817 642592156 /nfs/dbraw/zinc/59/21/56/642592156.db2.gz JYLGXGQQUSULGA-UHFFFAOYSA-N 1 0 272.396 2.393 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000850342027 642673301 /nfs/dbraw/zinc/67/33/01/642673301.db2.gz PIZXJDKPHMMZTC-LBPRGKRZSA-N 1 0 265.353 2.448 20 10 CECDRO CO[C@@H](C[NH2+]Cc1cc(C)c(C)cc1O)[C@@H]1CCOC1 ZINC000850343951 642674207 /nfs/dbraw/zinc/67/42/07/642674207.db2.gz YKOCYOGEFYMXFM-CJNGLKHVSA-N 1 0 279.380 2.150 20 10 CECDRO COc1ccc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)cc1C ZINC000850344683 642674586 /nfs/dbraw/zinc/67/45/86/642674586.db2.gz SEYYAVMPAHOTPJ-HOCLYGCPSA-N 1 0 279.380 2.145 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC000850388023 642695819 /nfs/dbraw/zinc/69/58/19/642695819.db2.gz FYSINALZAMOTET-ZDUSSCGKSA-N 1 0 279.380 2.289 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H](CO)CC2CC2)c(O)c1 ZINC000850388334 642695897 /nfs/dbraw/zinc/69/58/97/642695897.db2.gz LGNQAVFCSBTWDA-ZDUSSCGKSA-N 1 0 279.380 2.289 20 10 CECDRO O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000850418035 642704485 /nfs/dbraw/zinc/70/44/85/642704485.db2.gz VXTPEQWMTJEOHI-KOMQPUFPSA-N 1 0 260.381 2.290 20 10 CECDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921831469 642705923 /nfs/dbraw/zinc/70/59/23/642705923.db2.gz WIYVHAMWXUXNGI-HXPMCKFVSA-N 1 0 281.421 2.258 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c1O ZINC000850484286 642729103 /nfs/dbraw/zinc/72/91/03/642729103.db2.gz GHVUCPIRMUYKDA-YWPYICTPSA-N 1 0 295.379 2.103 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H]3CCCOCC3)C2)cc1 ZINC000850487728 642730024 /nfs/dbraw/zinc/73/00/24/642730024.db2.gz JDAKHUOHCKMDBI-GJZGRUSLSA-N 1 0 290.407 2.433 20 10 CECDRO OCCC1([NH2+]Cc2ccc3c(c2)CCCO3)CCOCC1 ZINC000921850868 642744600 /nfs/dbraw/zinc/74/46/00/642744600.db2.gz VATPHDZRMKDOEL-UHFFFAOYSA-N 1 0 291.391 2.033 20 10 CECDRO Cc1ccc(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)c(O)c1 ZINC000877560463 650789380 /nfs/dbraw/zinc/78/93/80/650789380.db2.gz RGVBLJACNSKOEV-CQSZACIVSA-N 1 0 292.379 2.363 20 10 CECDRO Cc1cnc(CC[NH2+]Cc2c(C)cccc2O)cn1 ZINC000877577162 650797704 /nfs/dbraw/zinc/79/77/04/650797704.db2.gz AVPQZZYEXQEQKS-UHFFFAOYSA-N 1 0 257.337 2.131 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(O)c1 ZINC000877572349 650795060 /nfs/dbraw/zinc/79/50/60/650795060.db2.gz POSWPTJTBBYQKD-DGCLKSJQSA-N 1 0 289.297 2.446 20 10 CECDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922157057 642912040 /nfs/dbraw/zinc/91/20/40/642912040.db2.gz VNHZXWYIUVNEQI-WBVHZDCISA-N 1 0 291.391 2.153 20 10 CECDRO Cc1cccc(O)c1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000877582606 650800006 /nfs/dbraw/zinc/80/00/06/650800006.db2.gz BTLDGRWXDCWRTN-UHFFFAOYSA-N 1 0 274.368 2.406 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c(O)c1 ZINC000877594179 650806393 /nfs/dbraw/zinc/80/63/93/650806393.db2.gz OGLRQHZNZMXQLC-GFCCVEGCSA-N 1 0 270.323 2.130 20 10 CECDRO COC1([C@H](C)[NH2+]Cc2ccc(C)cc2O)CCOCC1 ZINC000877598847 650808216 /nfs/dbraw/zinc/80/82/16/650808216.db2.gz UUIGTBZUXSEAHP-ZDUSSCGKSA-N 1 0 279.380 2.374 20 10 CECDRO C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccc(N(C)C)cc2)CCN1C ZINC000922554306 643123058 /nfs/dbraw/zinc/12/30/58/643123058.db2.gz INFFTKSXSINOMC-HVMMPBATSA-N 1 0 273.424 2.448 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2C[C@H](C)n3ncnc32)c(O)c1 ZINC000877623268 650818491 /nfs/dbraw/zinc/81/84/91/650818491.db2.gz KGRCSEQDFIBFDC-JQWIXIFHSA-N 1 0 258.325 2.088 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC2(C3(O)CCOCC3)CC2)c1 ZINC000922595942 643154934 /nfs/dbraw/zinc/15/49/34/643154934.db2.gz CIZNNECKCLDWKR-UHFFFAOYSA-N 1 0 291.391 2.112 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC000922612214 643162121 /nfs/dbraw/zinc/16/21/21/643162121.db2.gz ZAGHLASQUIXHHR-MRXNPFEDSA-N 1 0 295.379 2.075 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)C[NH+](C)C(C)C ZINC000851792041 643164665 /nfs/dbraw/zinc/16/46/65/643164665.db2.gz JXFHFYFUNHOUIT-MRXNPFEDSA-N 1 0 294.439 2.305 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c(O)c1 ZINC000877622739 650819011 /nfs/dbraw/zinc/81/90/11/650819011.db2.gz BQQYHZGVOZENKX-HNNXBMFYSA-N 1 0 296.370 2.378 20 10 CECDRO CCO[C@@H](CNCc1ccc(OC)c(C)c1)C[NH+](C)C ZINC000922756592 643246541 /nfs/dbraw/zinc/24/65/41/643246541.db2.gz MHWWLFXOYQZCQU-HNNXBMFYSA-N 1 0 280.412 2.060 20 10 CECDRO Cc1cc(Br)cc(C[NH2+]Cc2ncc[nH]2)c1O ZINC000877673726 650844486 /nfs/dbraw/zinc/84/44/86/650844486.db2.gz QHPGHGWMGAETHX-UHFFFAOYSA-N 1 0 296.168 2.476 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCC2(C)C)cc1 ZINC000852790910 643552293 /nfs/dbraw/zinc/55/22/93/643552293.db2.gz CAIQHUJESSRHDN-HUUCEWRRSA-N 1 0 289.423 2.305 20 10 CECDRO CCc1cccc2c1N(C(=O)C=C1CC[NH2+]CC1)CC2 ZINC000852825642 643566386 /nfs/dbraw/zinc/56/63/86/643566386.db2.gz MOEBNTPAAPCYTO-UHFFFAOYSA-N 1 0 270.376 2.448 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1F ZINC000852867494 643583001 /nfs/dbraw/zinc/58/30/01/643583001.db2.gz WGOVXGBALBTYHO-JOCQHMNTSA-N 1 0 293.386 2.025 20 10 CECDRO CC[C@]1(O)CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000877691728 650852656 /nfs/dbraw/zinc/85/26/56/650852656.db2.gz UPRQJTKVCOJRJI-INIZCTEOSA-N 1 0 295.379 2.146 20 10 CECDRO CO[C@H](C[N@@H+]1Cc2cccc(O)c2C1)C1CCOCC1 ZINC000877703095 650859391 /nfs/dbraw/zinc/85/93/91/650859391.db2.gz RFYHVHTYYNKUJA-MRXNPFEDSA-N 1 0 277.364 2.149 20 10 CECDRO COC(=O)C(C)(C)CC[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702588 650859706 /nfs/dbraw/zinc/85/97/06/650859706.db2.gz COSAQVCNJCVJAD-UHFFFAOYSA-N 1 0 263.337 2.297 20 10 CECDRO Cc1cc(O)c(CN2CC[C@@H](F)[C@H]([NH3+])C2)c(Cl)c1 ZINC000853248745 643722108 /nfs/dbraw/zinc/72/21/08/643722108.db2.gz XXKVQSIOCSDSDL-VXGBXAGGSA-N 1 0 272.751 2.225 20 10 CECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000853586982 643823731 /nfs/dbraw/zinc/82/37/31/643823731.db2.gz CJVYXJKYQWTKRY-KGLIPLIRSA-N 1 0 284.359 2.409 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000877728663 650875297 /nfs/dbraw/zinc/87/52/97/650875297.db2.gz RMYOOWVACYJAHE-CQSZACIVSA-N 1 0 291.391 2.376 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)[NH+](C)C ZINC000838685622 643986549 /nfs/dbraw/zinc/98/65/49/643986549.db2.gz TUDJKUVUTFGGSX-ZDUSSCGKSA-N 1 0 293.411 2.264 20 10 CECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2O)C1 ZINC000839147161 644157709 /nfs/dbraw/zinc/15/77/09/644157709.db2.gz FMSYAEQHFFYYMG-TXEJJXNPSA-N 1 0 281.352 2.067 20 10 CECDRO COc1cccc(C[NH+]2CC3(C2)CCCOC3)c1O ZINC000839137682 644171029 /nfs/dbraw/zinc/17/10/29/644171029.db2.gz DTWJAUTXALAYOU-UHFFFAOYSA-N 1 0 263.337 2.013 20 10 CECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000839190862 644185509 /nfs/dbraw/zinc/18/55/09/644185509.db2.gz AZZLVLRTIXFODZ-YPMHNXCESA-N 1 0 281.352 2.067 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000877797366 650913837 /nfs/dbraw/zinc/91/38/37/650913837.db2.gz UPDORBIBUVAWCA-GFCCVEGCSA-N 1 0 279.380 2.384 20 10 CECDRO COc1cc(C)cc(CN2CCC[C@H]([NH+](C)C)C2)c1O ZINC000754732637 644422509 /nfs/dbraw/zinc/42/25/09/644422509.db2.gz RNMRLJYHZFLJBX-AWEZNQCLSA-N 1 0 278.396 2.235 20 10 CECDRO CCC1(O)CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000754742184 644423725 /nfs/dbraw/zinc/42/37/25/644423725.db2.gz SBDFDEZLQMMLCA-UHFFFAOYSA-N 1 0 279.380 2.446 20 10 CECDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2ccccc2O)C1 ZINC000877829443 650925381 /nfs/dbraw/zinc/92/53/81/650925381.db2.gz UEUKYLKNNCYLLC-LLVKDONJSA-N 1 0 263.337 2.023 20 10 CECDRO CC(C)C(=O)NCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756371655 644637290 /nfs/dbraw/zinc/63/72/90/644637290.db2.gz MIGASMHWYMTHJX-JQWIXIFHSA-N 1 0 294.370 2.441 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)c2c1c(F)ccc2O ZINC000756372207 644637614 /nfs/dbraw/zinc/63/76/14/644637614.db2.gz PJHWJMILHSPFJP-JOYOIKCWSA-N 1 0 292.354 2.195 20 10 CECDRO C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756491082 644654345 /nfs/dbraw/zinc/65/43/45/644654345.db2.gz XVVWQTLKXVDOOH-CKYFFXLPSA-N 1 0 290.342 2.349 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2CCO[C@H](C)C2)c1 ZINC000756542505 644661223 /nfs/dbraw/zinc/66/12/23/644661223.db2.gz ASPMNNACGPEWHV-ZIAGYGMSSA-N 1 0 278.396 2.072 20 10 CECDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756660142 644679823 /nfs/dbraw/zinc/67/98/23/644679823.db2.gz JDPJQQDRMMYDFO-MNOVXSKESA-N 1 0 276.380 2.186 20 10 CECDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756731399 644687202 /nfs/dbraw/zinc/68/72/02/644687202.db2.gz ABWIPSRITWDOPL-GHMZBOCLSA-N 1 0 271.332 2.233 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)C(N)=O)c2c1c(F)ccc2O ZINC000756782959 644692335 /nfs/dbraw/zinc/69/23/35/644692335.db2.gz XAJUINANMLSZLO-WPRPVWTQSA-N 1 0 280.343 2.181 20 10 CECDRO CCOc1cncc(C[NH2+]Cc2ccc(OC)cc2O)c1 ZINC000857040698 644797216 /nfs/dbraw/zinc/79/72/16/644797216.db2.gz AKFMVIRIDJVQMV-UHFFFAOYSA-N 1 0 288.347 2.484 20 10 CECDRO CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c1O ZINC000857085803 644813359 /nfs/dbraw/zinc/81/33/59/644813359.db2.gz HTKUGHLCKXYJLU-LRDDRELGSA-N 1 0 292.354 2.047 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NCC[C@H](C)[NH3+] ZINC000857112598 644820348 /nfs/dbraw/zinc/82/03/48/644820348.db2.gz GKUWRHRBSGWCFE-LBPRGKRZSA-N 1 0 279.384 2.051 20 10 CECDRO C[C@H]([NH2+]C1COC(C)(C)OC1)c1ccccc1O ZINC000757697903 644837683 /nfs/dbraw/zinc/83/76/83/644837683.db2.gz NJSDFTLFZQXYAJ-JTQLQIEISA-N 1 0 251.326 2.194 20 10 CECDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1c(O)cccc1Cl)C2 ZINC000857226781 644859249 /nfs/dbraw/zinc/85/92/49/644859249.db2.gz ZDCRWAFHPONXSD-YGRLFVJLSA-N 1 0 266.772 2.359 20 10 CECDRO CC(C)OCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000757977372 644866713 /nfs/dbraw/zinc/86/67/13/644866713.db2.gz IZDSBGYRCPSZHO-UHFFFAOYSA-N 1 0 254.349 2.406 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1C ZINC000758506738 644935579 /nfs/dbraw/zinc/93/55/79/644935579.db2.gz SEEZPJDTRBMVFY-AWEZNQCLSA-N 1 0 271.364 2.374 20 10 CECDRO COCCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858086400 645052935 /nfs/dbraw/zinc/05/29/35/645052935.db2.gz HMBHBPUXZWMXTB-UHFFFAOYSA-N 1 0 258.312 2.157 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)C[C@@H]2CCOC2)c1O ZINC000759836818 645081211 /nfs/dbraw/zinc/08/12/11/645081211.db2.gz KNKHPZKQBHZLJQ-NEPJUHHUSA-N 1 0 265.353 2.306 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@H](O)[C@H]2CCCO2)cc1 ZINC000858226746 645092917 /nfs/dbraw/zinc/09/29/17/645092917.db2.gz PGIZVKAMCLKAGQ-DLBZAZTESA-N 1 0 292.423 2.162 20 10 CECDRO CC(C)CC[C@@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000858241712 645096804 /nfs/dbraw/zinc/09/68/04/645096804.db2.gz YQZCPOSHLKQSLT-LBPRGKRZSA-N 1 0 281.352 2.008 20 10 CECDRO Cc1cc(O)c(C[NH2+]Cc2ccc[nH]c2=O)cc1C ZINC000858304572 645111616 /nfs/dbraw/zinc/11/16/16/645111616.db2.gz UFZMVGAJTVOIQC-UHFFFAOYSA-N 1 0 258.321 2.399 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CC(C)(C)O ZINC000878152209 651014861 /nfs/dbraw/zinc/01/48/61/651014861.db2.gz WFJVDIIRPTYFEF-AWEZNQCLSA-N 1 0 281.396 2.126 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(N(C)C)cc1 ZINC000765250304 645748122 /nfs/dbraw/zinc/74/81/22/645748122.db2.gz JCCMBIGQXUVDHI-CVEARBPZSA-N 1 0 278.396 2.209 20 10 CECDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)CC1(CO)CCCC1 ZINC000878241301 651043714 /nfs/dbraw/zinc/04/37/14/651043714.db2.gz DPQMTWTWTRYXBF-OAHLLOKOSA-N 1 0 293.407 2.128 20 10 CECDRO CCc1nncn1CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000766312959 645872903 /nfs/dbraw/zinc/87/29/03/645872903.db2.gz HULXMAOMVMCOBX-ZDUSSCGKSA-N 1 0 287.411 2.257 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(N(C)C)cc1 ZINC000766531594 645899531 /nfs/dbraw/zinc/89/95/31/645899531.db2.gz PGKGHBBOEYHULA-LBPRGKRZSA-N 1 0 298.390 2.097 20 10 CECDRO C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CC1 ZINC000768335266 646108027 /nfs/dbraw/zinc/10/80/27/646108027.db2.gz KZSKZNIUXRQYAG-UHFFFAOYSA-N 1 0 264.344 2.257 20 10 CECDRO CC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC1CC1 ZINC000768447986 646124310 /nfs/dbraw/zinc/12/43/10/646124310.db2.gz SMYDJOAJWDLMRD-AWEZNQCLSA-N 1 0 263.337 2.050 20 10 CECDRO COc1cc(O)c(C[N@H+](C)CC(C)(C)OC)cc1OC ZINC000768462697 646127016 /nfs/dbraw/zinc/12/70/16/646127016.db2.gz BWPUJTASSPESBK-UHFFFAOYSA-N 1 0 283.368 2.266 20 10 CECDRO OCC[N@@H+](Cc1c(O)cccc1Cl)CC1CC1 ZINC000769109556 646207179 /nfs/dbraw/zinc/20/71/79/646207179.db2.gz RHYHKKGZICXQKL-UHFFFAOYSA-N 1 0 255.745 2.250 20 10 CECDRO COc1cccc(O)c1C[N@H+](CCO)CC(C)(C)C ZINC000769337845 646248343 /nfs/dbraw/zinc/24/83/43/646248343.db2.gz KPAXTUNVIJZYKG-UHFFFAOYSA-N 1 0 267.369 2.241 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000769451869 646268948 /nfs/dbraw/zinc/26/89/48/646268948.db2.gz NWQDOJBGISCRIS-RYUDHWBXSA-N 1 0 265.353 2.136 20 10 CECDRO COC(=O)[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1C ZINC000769514446 646279775 /nfs/dbraw/zinc/27/97/75/646279775.db2.gz GWFBQVPRFULZNB-UWVGGRQHSA-N 1 0 283.755 2.287 20 10 CECDRO CCOCC[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000769790059 646315595 /nfs/dbraw/zinc/31/55/95/646315595.db2.gz UHQOBAYFBBBMKR-CJNGLKHVSA-N 1 0 280.412 2.191 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c1O ZINC000770285346 646376614 /nfs/dbraw/zinc/37/66/14/646376614.db2.gz GBFWIYHXBKYFCY-ZIAGYGMSSA-N 1 0 277.364 2.402 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCSC[C@H]2CCO)c(O)c1 ZINC000770307972 646378285 /nfs/dbraw/zinc/37/82/85/646378285.db2.gz WTJNRASQOZOEFH-CYBMUJFWSA-N 1 0 297.420 2.091 20 10 CECDRO C[N@H+](Cc1c(O)cccc1Br)C1CC(O)C1 ZINC000862326863 646401428 /nfs/dbraw/zinc/40/14/28/646401428.db2.gz VATGKEADHSLUEJ-UHFFFAOYSA-N 1 0 286.169 2.110 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@]2(C)CO)cc1F ZINC000862336957 646403531 /nfs/dbraw/zinc/40/35/31/646403531.db2.gz OJANVTORQJAOEC-OAHLLOKOSA-N 1 0 284.350 2.378 20 10 CECDRO CN(C)c1cc(F)c(C[N@H+](C)CC2(CO)CC2)cc1F ZINC000862337008 646403654 /nfs/dbraw/zinc/40/36/54/646403654.db2.gz PZGCCTNDQITLAF-UHFFFAOYSA-N 1 0 284.350 2.235 20 10 CECDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1c(O)cccc1Br ZINC000862339379 646405488 /nfs/dbraw/zinc/40/54/88/646405488.db2.gz RMUWHPROXCMYSU-DTWKUNHWSA-N 1 0 286.169 2.110 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)CCc2cnccn2)c1O ZINC000770663613 646423222 /nfs/dbraw/zinc/42/32/22/646423222.db2.gz RGWFLXSUIHUKIJ-UHFFFAOYSA-N 1 0 287.363 2.174 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cc1F ZINC000862416057 646450958 /nfs/dbraw/zinc/45/09/58/646450958.db2.gz LOSMWPMYIGVAOA-BLLLJJGKSA-N 1 0 296.361 2.499 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CC=C(C(=O)OC)C2)c1O ZINC000862468605 646472692 /nfs/dbraw/zinc/47/26/92/646472692.db2.gz YYEWVGGSORRWGO-CQSZACIVSA-N 1 0 275.348 2.306 20 10 CECDRO CCC(O)(CC)C[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000862540086 646488880 /nfs/dbraw/zinc/48/88/80/646488880.db2.gz YQIDEVFUIGIUFE-UHFFFAOYSA-N 1 0 297.395 2.392 20 10 CECDRO CCc1cccc(C[NH2+]CCN(C)CC(F)F)c1O ZINC000862549784 646495550 /nfs/dbraw/zinc/49/55/50/646495550.db2.gz FBOHGJCBWBGWRT-UHFFFAOYSA-N 1 0 272.339 2.241 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](OCCOC)C2)cc1 ZINC000773887851 646784567 /nfs/dbraw/zinc/78/45/67/646784567.db2.gz ITRHZDJXJFZOQF-QGZVFWFLSA-N 1 0 292.423 2.380 20 10 CECDRO CCOc1cccc(C[NH2+][C@@]2(CCOC)CCOC2)c1O ZINC000775035466 646917933 /nfs/dbraw/zinc/91/79/33/646917933.db2.gz ZZDDRMHZCMIVLD-INIZCTEOSA-N 1 0 295.379 2.076 20 10 CECDRO C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccccc1O ZINC000775131919 646926096 /nfs/dbraw/zinc/92/60/96/646926096.db2.gz ZBZFPGAZWMYBNI-LBPRGKRZSA-N 1 0 297.420 2.258 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(N)=O ZINC000775199494 646929639 /nfs/dbraw/zinc/92/96/39/646929639.db2.gz DRRYYILDHXAABN-LLVKDONJSA-N 1 0 270.332 2.023 20 10 CECDRO CC(C)[N@H+](C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775409332 646951719 /nfs/dbraw/zinc/95/17/19/646951719.db2.gz FMWLVVHFCZNKPN-CYBMUJFWSA-N 1 0 277.412 2.270 20 10 CECDRO CC[N@H+](CC(=O)N(C)C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775652523 646975837 /nfs/dbraw/zinc/97/58/37/646975837.db2.gz MJBZZBFEDHGBGI-UHFFFAOYSA-N 1 0 288.750 2.095 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2O)[C@H]1OC ZINC000775979235 647012682 /nfs/dbraw/zinc/01/26/82/647012682.db2.gz SUZRPPOKZBISCK-NUEKZKHPSA-N 1 0 279.380 2.291 20 10 CECDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000775983997 647013414 /nfs/dbraw/zinc/01/34/14/647013414.db2.gz DUPKMDNQPNSEJR-STQMWFEESA-N 1 0 279.403 2.416 20 10 CECDRO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1O ZINC000776000795 647015605 /nfs/dbraw/zinc/01/56/05/647015605.db2.gz NPSCOCLQEKDHNZ-YPMHNXCESA-N 1 0 263.337 2.166 20 10 CECDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1ccc(N2CC=CC2)cc1 ZINC000864462687 647017479 /nfs/dbraw/zinc/01/74/79/647017479.db2.gz WQGZIGXCEMFWGH-DOMZBBRYSA-N 1 0 270.380 2.085 20 10 CECDRO COc1cc(O)c(C[NH2+]C2CCC(C)(O)CC2)cc1OC ZINC000776222525 647038190 /nfs/dbraw/zinc/03/81/90/647038190.db2.gz NPYZTGMXZJMOGO-UHFFFAOYSA-N 1 0 295.379 2.193 20 10 CECDRO Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000777219780 647121409 /nfs/dbraw/zinc/12/14/09/647121409.db2.gz NCAYJAQHLRNCOJ-GFCCVEGCSA-N 1 0 278.396 2.436 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CCC(O)(C(F)F)CC1)CCC2 ZINC000777573708 647151440 /nfs/dbraw/zinc/15/14/40/647151440.db2.gz CUSXUIGVKUTPRU-UHFFFAOYSA-N 1 0 297.345 2.473 20 10 CECDRO CSC[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000778149014 647205282 /nfs/dbraw/zinc/20/52/82/647205282.db2.gz BVXJPWFCYWSGNH-BXUZGUMPSA-N 1 0 268.426 2.127 20 10 CECDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000779106257 647288705 /nfs/dbraw/zinc/28/87/05/647288705.db2.gz BACBXJKHLVUVNG-IINYFYTJSA-N 1 0 253.317 2.436 20 10 CECDRO C1=CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000779159524 647292593 /nfs/dbraw/zinc/29/25/93/647292593.db2.gz LPWONHRVTRYTJK-UHFFFAOYSA-N 1 0 258.365 2.285 20 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GTUUCVRXJZYIOC-XSIBGMEISA-N 1 0 272.392 2.266 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H](O)C(F)(F)F ZINC000865710587 647432324 /nfs/dbraw/zinc/43/23/24/647432324.db2.gz CBZYKNXSRQOMEQ-BXKDBHETSA-N 1 0 276.302 2.154 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1 ZINC000865712128 647435229 /nfs/dbraw/zinc/43/52/29/647435229.db2.gz XEBUDRZUSRFIDP-PELKAZGASA-N 1 0 293.285 2.192 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1O ZINC000780892561 647478150 /nfs/dbraw/zinc/47/81/50/647478150.db2.gz LMXJPXRDSUUMQH-OLZOCXBDSA-N 1 0 279.380 2.384 20 10 CECDRO COCC[N@H+](Cc1cc(C)cc(C)c1O)[C@H]1CCOC1 ZINC000782961140 647665826 /nfs/dbraw/zinc/66/58/26/647665826.db2.gz IYVYVDWMJSXGFW-HNNXBMFYSA-N 1 0 279.380 2.246 20 10 CECDRO CCOc1cccc(C[N@H+](CCOC)[C@@H]2CCOC2)c1O ZINC000787333801 648100888 /nfs/dbraw/zinc/10/08/88/648100888.db2.gz CDMYPLUQQNLIBW-CQSZACIVSA-N 1 0 295.379 2.028 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)ccc2O)[C@H]1C ZINC000787420917 648107334 /nfs/dbraw/zinc/10/73/34/648107334.db2.gz NEKGHHDINHGEJG-AAEUAGOBSA-N 1 0 263.337 2.084 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)[C@@H]1C ZINC000787420669 648107691 /nfs/dbraw/zinc/10/76/91/648107691.db2.gz KIVASMJBJVRQBP-BXKDBHETSA-N 1 0 283.755 2.429 20 10 CECDRO CCCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccccc1O ZINC000868369614 648109730 /nfs/dbraw/zinc/10/97/30/648109730.db2.gz GBBJYKVVZYOQPQ-CYBMUJFWSA-N 1 0 293.411 2.484 20 10 CECDRO [O-]c1ccc(Cl)c(F)c1CNCc1nnc2n1CCC2 ZINC000790949803 648463835 /nfs/dbraw/zinc/46/38/35/648463835.db2.gz IMGXLTHCCVNIHQ-UHFFFAOYSA-N 1 0 296.733 2.012 20 10 CECDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000791058214 648478128 /nfs/dbraw/zinc/47/81/28/648478128.db2.gz BRXJZHZVYPFAHJ-GFCCVEGCSA-N 1 0 282.409 2.304 20 10 CECDRO COc1ccc(C[NH2+]Cc2cc(OC)cc(C)n2)c(O)c1 ZINC000793386048 648749084 /nfs/dbraw/zinc/74/90/84/648749084.db2.gz IEJNVUQBSFNZTH-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000794270456 648846506 /nfs/dbraw/zinc/84/65/06/648846506.db2.gz GHUBHBQGIFQRJS-LBPRGKRZSA-N 1 0 294.395 2.256 20 10 CECDRO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000870988395 648971281 /nfs/dbraw/zinc/97/12/81/648971281.db2.gz ONXYDYVKNRWPHI-NEPJUHHUSA-N 1 0 262.353 2.102 20 10 CECDRO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cc(Cl)ccc1O ZINC000872127525 649286329 /nfs/dbraw/zinc/28/63/29/649286329.db2.gz WWMGQRLHTWZEBJ-QXEWZRGKSA-N 1 0 255.745 2.467 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)cc1C ZINC000873116447 649561060 /nfs/dbraw/zinc/56/10/60/649561060.db2.gz FTXJFEQLRZMUBR-RHSMWYFYSA-N 1 0 293.407 2.413 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@H]2COCCN2C)cc1C ZINC000873144732 649568664 /nfs/dbraw/zinc/56/86/64/649568664.db2.gz XIXNTZJMFITXBE-INIZCTEOSA-N 1 0 292.423 2.204 20 10 CECDRO CCOc1cccc(C[NH2+]CCC[C@@H]2CCOC2=O)c1O ZINC000873162673 649576097 /nfs/dbraw/zinc/57/60/97/649576097.db2.gz NXRCRZZYQLZSPM-GFCCVEGCSA-N 1 0 293.363 2.224 20 10 CECDRO [NH3+]C[C@H]1CN(Cc2cccc(F)c2O)C[C@@H]1C(F)(F)F ZINC000873226930 649598355 /nfs/dbraw/zinc/59/83/55/649598355.db2.gz ABMHWWKKIKRCJB-UWVGGRQHSA-N 1 0 292.276 2.100 20 10 CECDRO COc1ccc(N2CC[NH+](CCSC)CC2)c(OC)c1 ZINC000879462964 651306950 /nfs/dbraw/zinc/30/69/50/651306950.db2.gz WZHBASXTLNVLFI-UHFFFAOYSA-N 1 0 296.436 2.189 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCCC1)c1ccccc1O ZINC000879650354 651335790 /nfs/dbraw/zinc/33/57/90/651335790.db2.gz WOKPIVNGZWZQCT-OLZOCXBDSA-N 1 0 279.380 2.099 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)CC1(CO)CCCC1)c1ccccc1O ZINC000879650216 651335817 /nfs/dbraw/zinc/33/58/17/651335817.db2.gz PZKBAANYHMVHOY-KBPBESRZSA-N 1 0 293.407 2.347 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NCC(F)(F)F ZINC000879651921 651336080 /nfs/dbraw/zinc/33/60/80/651336080.db2.gz PFPFIZLKWUJDDJ-DTWKUNHWSA-N 1 0 290.285 2.110 20 10 CECDRO C[C@@H]1CN(Cc2c(O)cccc2Cl)CC[C@@H]1[NH3+] ZINC000128350537 651422772 /nfs/dbraw/zinc/42/27/72/651422772.db2.gz CGBVNTLKENAFBZ-SKDRFNHKSA-N 1 0 254.761 2.215 20 10 CECDRO CSCC[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000130768364 652331280 /nfs/dbraw/zinc/33/12/80/652331280.db2.gz MKUSECKVMMBCDB-VIFPVBQESA-N 1 0 269.366 2.352 20 10 CECDRO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ncc[nH]1 ZINC000883290202 652424136 /nfs/dbraw/zinc/42/41/36/652424136.db2.gz NWZCPBSUWYIATI-CQSZACIVSA-N 1 0 299.422 2.012 20 10 CECDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(OC)c2O)C1 ZINC000883319242 652431486 /nfs/dbraw/zinc/43/14/86/652431486.db2.gz UNGBFRYLOAUPNU-UTUOFQBUSA-N 1 0 265.353 2.476 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2c(Cl)cnn2C)c1 ZINC000131577540 652437294 /nfs/dbraw/zinc/43/72/94/652437294.db2.gz GHJYJXTXUBYPOL-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO CCN1CC[C@@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000883359279 652442154 /nfs/dbraw/zinc/44/21/54/652442154.db2.gz CKDOEOLAULOLAI-KEGWNNHHSA-N 1 0 273.424 2.450 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c1 ZINC000883394783 652454149 /nfs/dbraw/zinc/45/41/49/652454149.db2.gz GWGSEXBJCWQUCG-TZMCWYRMSA-N 1 0 288.391 2.362 20 10 CECDRO COC[C@H](C)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000131909663 652480353 /nfs/dbraw/zinc/48/03/53/652480353.db2.gz JLCGHFGTMYQYSN-OAHLLOKOSA-N 1 0 292.423 2.238 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000884193679 652747929 /nfs/dbraw/zinc/74/79/29/652747929.db2.gz MNLUJSCBIZIMPC-MRXNPFEDSA-N 1 0 289.423 2.276 20 10 CECDRO [NH3+][C@@H](CC1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000884193391 652748069 /nfs/dbraw/zinc/74/80/69/652748069.db2.gz FEMHDBBKMRLGOW-INIZCTEOSA-N 1 0 287.407 2.030 20 10 CECDRO [NH3+][C@H](CC1CC1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000884315052 652792307 /nfs/dbraw/zinc/79/23/07/652792307.db2.gz FBCFXGWDPSXPRK-OAHLLOKOSA-N 1 0 288.391 2.015 20 10 CECDRO C[S@@](=O)CC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000134738814 652871529 /nfs/dbraw/zinc/87/15/29/652871529.db2.gz NQYJGAZLPVSKRG-IBGZPJMESA-N 1 0 280.437 2.145 20 10 CECDRO C[NH+](C)CC1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142520423 806614416 /nfs/dbraw/zinc/61/44/16/806614416.db2.gz JBKBVQOKRBQEGN-UHFFFAOYSA-N 1 0 284.350 2.444 20 10 CECDRO C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1cc(F)c(F)cc1O)C2 ZINC001142527562 806620492 /nfs/dbraw/zinc/62/04/92/806620492.db2.gz ZFENUBNHAJQPOG-IAQYHMDHSA-N 1 0 282.334 2.054 20 10 CECDRO COC(=O)CC[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140059138 802550832 /nfs/dbraw/zinc/55/08/32/802550832.db2.gz UUUGIRKXIOJWNN-NSHDSACASA-N 1 0 281.327 2.306 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c1 ZINC000723879276 802960668 /nfs/dbraw/zinc/96/06/68/802960668.db2.gz MZNUMSVMLGXEIR-LBPRGKRZSA-N 1 0 299.436 2.422 20 10 CECDRO C[NH+]1CCC2(C[NH+](Cc3c([O-])cc(F)cc3F)C2)CC1 ZINC001140584443 803187098 /nfs/dbraw/zinc/18/70/98/803187098.db2.gz RLBYPEBXDMJLMN-UHFFFAOYSA-N 1 0 282.334 2.198 20 10 CECDRO COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(C)ccc2O)C1 ZINC001140623589 803246572 /nfs/dbraw/zinc/24/65/72/803246572.db2.gz XFLPYSCARHLOCR-GXTWGEPZSA-N 1 0 277.364 2.332 20 10 CECDRO COc1ccc(C[NH2+]CC2(OC)CCCC2)c(O)c1 ZINC000382277303 803272470 /nfs/dbraw/zinc/27/24/70/803272470.db2.gz QQDLWYANJOTXMJ-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccccc1O ZINC000036902833 814941421 /nfs/dbraw/zinc/94/14/21/814941421.db2.gz PBRQMYKBZZQFFL-NSHDSACASA-N 1 0 270.332 2.342 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC001140748217 803514468 /nfs/dbraw/zinc/51/44/68/803514468.db2.gz UWLYNRHWKRIURU-INIZCTEOSA-N 1 0 277.364 2.409 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)[C@@H]1C ZINC001140749232 803514478 /nfs/dbraw/zinc/51/44/78/803514478.db2.gz SFZVWPRSADQXAI-YPMHNXCESA-N 1 0 293.363 2.180 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]3C[C@@H]31)OCO2 ZINC000694319092 803530828 /nfs/dbraw/zinc/53/08/28/803530828.db2.gz HPNHETPASCCCKH-ADEWGFFLSA-N 1 0 261.321 2.399 20 10 CECDRO COC[C@@H](CC[NH2+][C@@H](C)c1ccc(C)cc1O)OC ZINC000694314619 803530858 /nfs/dbraw/zinc/53/08/58/803530858.db2.gz YUGPHVOOLIYGMD-QWHCGFSZSA-N 1 0 267.369 2.403 20 10 CECDRO Cc1nccnc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001140940269 803618449 /nfs/dbraw/zinc/61/84/49/803618449.db2.gz WBJRCXBDFBBGTF-UHFFFAOYSA-N 1 0 270.380 2.483 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1ccccc1O ZINC000722362086 804383540 /nfs/dbraw/zinc/38/35/40/804383540.db2.gz XCWNRRRNTFHBIH-ZIAGYGMSSA-N 1 0 276.380 2.444 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCC(C(N)=O)CC2)c1 ZINC000037152786 815017957 /nfs/dbraw/zinc/01/79/57/815017957.db2.gz YCLKKUFWVDDMNP-HIFPTAJRSA-N 1 0 276.380 2.395 20 10 CECDRO Cc1nn(CCO)c(C)c1C[NH2+][C@H](C)c1ccccc1O ZINC001119303608 815086477 /nfs/dbraw/zinc/08/64/77/815086477.db2.gz DXIUAMSYQWJNDA-LLVKDONJSA-N 1 0 289.379 2.049 20 10 CECDRO Cc1cn[nH]c1C[NH2+]Cc1cc(Cl)ccc1O ZINC000716502468 815133661 /nfs/dbraw/zinc/13/36/61/815133661.db2.gz XOXYKOHIJCGAJJ-UHFFFAOYSA-N 1 0 251.717 2.367 20 10 CECDRO CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037280109 815134539 /nfs/dbraw/zinc/13/45/39/815134539.db2.gz MHRTTXYDYOHOHE-CHWSQXEVSA-N 1 0 277.412 2.318 20 10 CECDRO Cc1cc(F)cc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c1O ZINC001236580352 808120815 /nfs/dbraw/zinc/12/08/15/808120815.db2.gz DBHSFEZKVGMCKC-GHMZBOCLSA-N 1 0 252.333 2.022 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](O)CC2)c(Cl)c1 ZINC001236797839 808166192 /nfs/dbraw/zinc/16/61/92/808166192.db2.gz JOLIBTNPJSILTM-SNVBAGLBSA-N 1 0 285.771 2.401 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(Cl)c1 ZINC001236800182 808167739 /nfs/dbraw/zinc/16/77/39/808167739.db2.gz WYJMFUCVVJGBHO-ZJUUUORDSA-N 1 0 285.771 2.399 20 10 CECDRO COc1cc(C)c(C[NH+]2CC([C@H](C)OC)C2)c(O)c1 ZINC001236812600 808168221 /nfs/dbraw/zinc/16/82/21/808168221.db2.gz CAZVJGLCRGOXRB-NSHDSACASA-N 1 0 265.353 2.176 20 10 CECDRO Cc1cc(F)cc(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)c1O ZINC001238056166 808291630 /nfs/dbraw/zinc/29/16/30/808291630.db2.gz FATOEBGZGVHXPG-RYUDHWBXSA-N 1 0 267.344 2.433 20 10 CECDRO Cc1cc(F)cc(CN2C[C@H]([NH3+])CC(F)(F)C2)c1O ZINC001206145719 815211784 /nfs/dbraw/zinc/21/17/84/815211784.db2.gz KEVUUSGVULTUEX-LLVKDONJSA-N 1 0 274.286 2.008 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCN(C2CC2)C(=O)C1)c1ccccc1O ZINC001172003191 815261853 /nfs/dbraw/zinc/26/18/53/815261853.db2.gz SQVVFLJUQZVSDN-NWDGAFQWSA-N 1 0 274.364 2.196 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccccc1O ZINC000704340975 809730219 /nfs/dbraw/zinc/73/02/19/809730219.db2.gz OBJGAYDPIOWPRV-OLZOCXBDSA-N 1 0 262.353 2.054 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206157430 815313189 /nfs/dbraw/zinc/31/31/89/815313189.db2.gz YPFCEPUCAVHXBT-HUUCEWRRSA-N 1 0 265.376 2.014 20 10 CECDRO COc1cccc(C[NH2+]Cc2cccnc2C)c1O ZINC000705571531 809783396 /nfs/dbraw/zinc/78/33/96/809783396.db2.gz XPTAEXHQXFLTOC-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO Cc1cc(C)c(C[NH2+][C@H]2CCN3C(=O)CC[C@H]3C2)c(O)c1 ZINC001172163230 815325907 /nfs/dbraw/zinc/32/59/07/815325907.db2.gz UUAORNWVWBIZHC-KBPBESRZSA-N 1 0 288.391 2.252 20 10 CECDRO C[NH+](C)CC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708433161 809931535 /nfs/dbraw/zinc/93/15/35/809931535.db2.gz IFXCBRZRPPBGIM-UHFFFAOYSA-N 1 0 284.350 2.444 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)[C@@H](CO)SC)c1O ZINC000709456722 809961827 /nfs/dbraw/zinc/96/18/27/809961827.db2.gz SZWLMVMWPYXEKN-GXFFZTMASA-N 1 0 269.410 2.157 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000709827335 809971584 /nfs/dbraw/zinc/97/15/84/809971584.db2.gz JUVUGYGSDQHRQL-MRXNPFEDSA-N 1 0 260.381 2.276 20 10 CECDRO CC[C@H](C)OCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001172314922 815367742 /nfs/dbraw/zinc/36/77/42/815367742.db2.gz IACTWOUZRHVTEB-MQIPJXDCSA-N 1 0 297.395 2.315 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](OC)C(C)C)c1 ZINC000381921626 811110161 /nfs/dbraw/zinc/11/01/61/811110161.db2.gz PBTJUGPZUXKRGF-CQSZACIVSA-N 1 0 253.342 2.161 20 10 CECDRO Cc1ccc(C)n1-c1ccc(-n2nc(CC[NH3+])nc2C)cc1 ZINC001168987677 811337640 /nfs/dbraw/zinc/33/76/40/811337640.db2.gz WEBRTFDSGBXCPR-UHFFFAOYSA-N 1 0 295.390 2.484 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(C)(C)O)c1 ZINC000393959087 811544342 /nfs/dbraw/zinc/54/43/42/811544342.db2.gz AINGPSBXXHWXSR-VHSXEESVSA-N 1 0 253.342 2.211 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000691468305 811901134 /nfs/dbraw/zinc/90/11/34/811901134.db2.gz UNMVLOVPJMIHIT-NSHDSACASA-N 1 0 278.396 2.347 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CN(C(C)=O)C[C@H]2C)cc1C ZINC001048092531 811937346 /nfs/dbraw/zinc/93/73/46/811937346.db2.gz PHKJCIMWJQVKCJ-CJNGLKHVSA-N 1 0 290.407 2.208 20 10 CECDRO CCc1cccc(C[NH2+]CC(C)(C)CCO)c1O ZINC000691493915 811960774 /nfs/dbraw/zinc/96/07/74/811960774.db2.gz MBGSFKVGHWUIKP-UHFFFAOYSA-N 1 0 251.370 2.453 20 10 CECDRO COc1ccc(N(C)C(C)(C)C[NH3+])c(C)c1OC ZINC001170059273 812013362 /nfs/dbraw/zinc/01/33/62/812013362.db2.gz FEFDPJTZIMSWFF-UHFFFAOYSA-N 1 0 252.358 2.186 20 10 CECDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2O)CC1 ZINC001172777337 815518642 /nfs/dbraw/zinc/51/86/42/815518642.db2.gz PRSODUAFJGSOCW-YPMHNXCESA-N 1 0 293.363 2.309 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)C[C@@H]2C)c1O ZINC000384957726 813126338 /nfs/dbraw/zinc/12/63/38/813126338.db2.gz RCWKPYKVBCRYOH-UFBFGSQYSA-N 1 0 283.755 2.203 20 10 CECDRO C[C@H](NCc1ccc(N(C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000386111701 813153384 /nfs/dbraw/zinc/15/33/84/813153384.db2.gz LOBGNYIJJXMDJT-XJKSGUPXSA-N 1 0 261.413 2.373 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)[C@H](C)O ZINC000386742852 813188660 /nfs/dbraw/zinc/18/86/60/813188660.db2.gz YVRSUHPZBSMSIU-GZMMTYOYSA-N 1 0 273.760 2.303 20 10 CECDRO COCC[C@@H](COC)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000388819740 813243033 /nfs/dbraw/zinc/24/30/33/813243033.db2.gz WEMMABSEGLQYHP-OLZOCXBDSA-N 1 0 267.369 2.403 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCN2CC=CCC2)cc1 ZINC000392263282 813299840 /nfs/dbraw/zinc/29/98/40/813299840.db2.gz SKAKZGRFEBREJD-UHFFFAOYSA-N 1 0 259.397 2.104 20 10 CECDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000394073299 813335934 /nfs/dbraw/zinc/33/59/34/813335934.db2.gz RTLVYMFYGKOFGO-WDEREUQCSA-N 1 0 255.333 2.446 20 10 CECDRO COc1ccc(N2CC[NH+]([C@@H]3CCCOCC3)CC2)cc1 ZINC001170805733 813397211 /nfs/dbraw/zinc/39/72/11/813397211.db2.gz WAULRQXCVXUGLC-OAHLLOKOSA-N 1 0 290.407 2.386 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[NH2+]C1CC1 ZINC000394848814 813460988 /nfs/dbraw/zinc/46/09/88/813460988.db2.gz TYIPLERZAHSACJ-ZDUSSCGKSA-N 1 0 289.423 2.242 20 10 CECDRO CC1(C)CN(Cc2cc(Cl)ccc2O)CC[NH2+]1 ZINC000396116486 813558975 /nfs/dbraw/zinc/55/89/75/813558975.db2.gz RNUXQFGQGHZGLP-UHFFFAOYSA-N 1 0 254.761 2.229 20 10 CECDRO CC(C)[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000399783435 813719415 /nfs/dbraw/zinc/71/94/15/813719415.db2.gz WILAMQREZCWWJJ-XJKSGUPXSA-N 1 0 291.439 2.330 20 10 CECDRO COc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cn1 ZINC001137037533 813844577 /nfs/dbraw/zinc/84/45/77/813844577.db2.gz FZZBZLOWHLQFLT-UHFFFAOYSA-N 1 0 270.332 2.354 20 10 CECDRO Cc1ncc(C[NH2+]Cc2ccc(N(C)C)cc2)n1C ZINC000689718179 814052834 /nfs/dbraw/zinc/05/28/34/814052834.db2.gz JLMISPNWDQYXHY-UHFFFAOYSA-N 1 0 258.369 2.084 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001144508873 814096177 /nfs/dbraw/zinc/09/61/77/814096177.db2.gz BLWAGCSJPZBJCW-LLVKDONJSA-N 1 0 286.331 2.188 20 10 CECDRO CCN1CC[C@@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000712608884 814757881 /nfs/dbraw/zinc/75/78/81/814757881.db2.gz UHEVMKXCQGNHDE-GFCCVEGCSA-N 1 0 299.212 2.339 20 10 CECDRO COc1cccc(CN2CC[N@H+](C)C(C)(C)CC2)c1O ZINC000712665060 814758754 /nfs/dbraw/zinc/75/87/54/814758754.db2.gz WDBUKDITHJZHEM-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO COC(=O)CC(C)(C)[N@H+](C)Cc1cc(OC)ccc1O ZINC001116483909 814856974 /nfs/dbraw/zinc/85/69/74/814856974.db2.gz WXODCEIRIFFFEC-UHFFFAOYSA-N 1 0 281.352 2.174 20 10 CECDRO CC[C@@H]([NH2+]Cc1nnc(C)n1C)c1ccc(C)cc1O ZINC001116890588 814890280 /nfs/dbraw/zinc/89/02/80/814890280.db2.gz ZFTPUUPRTYNFQS-CYBMUJFWSA-N 1 0 274.368 2.378 20 10 CECDRO C[NH+](C)[C@H]1CCCN(Cc2c(O)cccc2F)C1 ZINC001137837930 815692707 /nfs/dbraw/zinc/69/27/07/815692707.db2.gz ZQOQUXCPZJGDQB-NSHDSACASA-N 1 0 252.333 2.057 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@@](C)(O)C2)c2ccccc2n1C ZINC001138252744 815754919 /nfs/dbraw/zinc/75/49/19/815754919.db2.gz SNJLYXBLAZWECY-MRXNPFEDSA-N 1 0 258.365 2.443 20 10 CECDRO Cc1c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc2n1C ZINC001138252793 815755043 /nfs/dbraw/zinc/75/50/43/815755043.db2.gz UZXWOLNFWHFSTB-CYBMUJFWSA-N 1 0 285.391 2.184 20 10 CECDRO Cc1c(C[N@H+]2C[C@H](O)C[C@H]2C)c2ccccc2n1C ZINC001138252601 815755081 /nfs/dbraw/zinc/75/50/81/815755081.db2.gz MZFGCOOPIUWNPI-DGCLKSJQSA-N 1 0 258.365 2.442 20 10 CECDRO O=c1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c[nH]1 ZINC001139469574 816030752 /nfs/dbraw/zinc/03/07/52/816030752.db2.gz XZQAHWPHTVGIIK-UHFFFAOYSA-N 1 0 286.331 2.147 20 10 CECDRO Oc1cccc(Br)c1C[NH+]1CC(C2COC2)C1 ZINC001140099127 816189149 /nfs/dbraw/zinc/18/91/49/816189149.db2.gz YFLXHGCQUGCHAR-UHFFFAOYSA-N 1 0 298.180 2.233 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c1O ZINC001140178804 816203952 /nfs/dbraw/zinc/20/39/52/816203952.db2.gz YBHDENFNRBZLNV-KBPBESRZSA-N 1 0 267.344 2.304 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCOC3(CCOCC3)C2)c1O ZINC001140183676 816206214 /nfs/dbraw/zinc/20/62/14/816206214.db2.gz FXWRXBNVHVVRPT-UHFFFAOYSA-N 1 0 291.391 2.390 20 10 CECDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140341571 816237856 /nfs/dbraw/zinc/23/78/56/816237856.db2.gz WVJVHMFFCXMHQB-UWVGGRQHSA-N 1 0 255.745 2.391 20 10 CECDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1c(O)cccc1Cl ZINC001140341570 816238797 /nfs/dbraw/zinc/23/87/97/816238797.db2.gz WVJVHMFFCXMHQB-NXEZZACHSA-N 1 0 255.745 2.391 20 10 CECDRO Oc1cc(Cl)ccc1C[NH+]1CC(C2COC2)C1 ZINC001140461573 816260296 /nfs/dbraw/zinc/26/02/96/816260296.db2.gz MGZSBVPINZBSCF-UHFFFAOYSA-N 1 0 253.729 2.124 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140462960 816261075 /nfs/dbraw/zinc/26/10/75/816261075.db2.gz PVXURBVVHGNPSK-JTQLQIEISA-N 1 0 269.728 2.041 20 10 CECDRO Oc1cc(Cl)ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC001140462816 816261205 /nfs/dbraw/zinc/26/12/05/816261205.db2.gz LMHAHGUNUDXYKQ-UHFFFAOYSA-N 1 0 283.755 2.385 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c1O ZINC001140741945 816338262 /nfs/dbraw/zinc/33/82/62/816338262.db2.gz DUXRZXFVVPXPRN-GFCCVEGCSA-N 1 0 265.353 2.001 20 10 CECDRO CCOC(=O)C1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140744279 816340094 /nfs/dbraw/zinc/34/00/94/816340094.db2.gz RTDBJFFFYNAOJX-UHFFFAOYSA-N 1 0 293.363 2.181 20 10 CECDRO Cc1noc([C@@H]2CC[N@H+](Cc3ccc(O)c(C)c3O)C2)n1 ZINC001140748171 816340782 /nfs/dbraw/zinc/34/07/82/816340782.db2.gz TWKXPBHUWRLZIF-GFCCVEGCSA-N 1 0 289.335 2.087 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749673 816342596 /nfs/dbraw/zinc/34/25/96/816342596.db2.gz IXFGZNLEKKMTHR-LBPRGKRZSA-N 1 0 293.363 2.181 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2CO)c(O)c1 ZINC001140850163 816383624 /nfs/dbraw/zinc/38/36/24/816383624.db2.gz FQBWVFDVJIQKOA-OAHLLOKOSA-N 1 0 278.396 2.195 20 10 CECDRO CN(C)c1ccc(CN2CC[N@@H+]3CC[C@H]3C2)c(Cl)c1 ZINC001140926614 816412490 /nfs/dbraw/zinc/41/24/90/816412490.db2.gz PBTFNXKERPVNKJ-AWEZNQCLSA-N 1 0 279.815 2.296 20 10 CECDRO COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140950930 816424228 /nfs/dbraw/zinc/42/42/28/816424228.db2.gz PMDNJVFKVGYXJV-OCCSQVGLSA-N 1 0 277.364 2.332 20 10 CECDRO Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c(O)c1 ZINC001140954072 816424354 /nfs/dbraw/zinc/42/43/54/816424354.db2.gz KQCUYPDIZXMPHZ-HIFRSBDPSA-N 1 0 288.391 2.143 20 10 CECDRO COCC[N@H+](Cc1c(O)cc(OC)cc1OC)C(C)C ZINC001141028365 816449219 /nfs/dbraw/zinc/44/92/19/816449219.db2.gz LZVUCJHLRPXQTD-UHFFFAOYSA-N 1 0 283.368 2.266 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@]3(CCCO3)C2)c(OC)c1 ZINC001141026553 816449304 /nfs/dbraw/zinc/44/93/04/816449304.db2.gz UVDWXBPWPGJDDB-INIZCTEOSA-N 1 0 293.363 2.164 20 10 CECDRO CC(=O)C1CC[NH+](Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143477 816485420 /nfs/dbraw/zinc/48/54/20/816485420.db2.gz AGHFLGONRSLQPR-UHFFFAOYSA-N 1 0 288.391 2.316 20 10 CECDRO Oc1ccc(O)c(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001141157852 816490838 /nfs/dbraw/zinc/49/08/38/816490838.db2.gz NKYMMYTXMHCGPF-UHFFFAOYSA-N 1 0 298.386 2.416 20 10 CECDRO Cn1nccc1C[NH2+]CCCSc1nccs1 ZINC001177904646 816640918 /nfs/dbraw/zinc/64/09/18/816640918.db2.gz LHHRQUZDCTXOEZ-UHFFFAOYSA-N 1 0 268.411 2.149 20 10 CECDRO Cc1c2ccccc2n(C)c1C[NH2+]CC1(CC(N)=O)CC1 ZINC001178982317 816824627 /nfs/dbraw/zinc/82/46/27/816824627.db2.gz UUIPZFUHRCOENA-UHFFFAOYSA-N 1 0 285.391 2.232 20 10 CECDRO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC001179148771 816838040 /nfs/dbraw/zinc/83/80/40/816838040.db2.gz VMFVRGDXUNQPEY-SJORKVTESA-N 1 0 288.391 2.116 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)CC[S@](C)=O)cc1C ZINC000125440603 365675978 /nfs/dbraw/zinc/67/59/78/365675978.db2.gz KJKXJVQYPUQIOI-KZULUSFZSA-N 1 0 269.410 2.250 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000039353605 361988891 /nfs/dbraw/zinc/98/88/91/361988891.db2.gz OSFKCEOCOBZTEK-LBPRGKRZSA-N 1 0 257.337 2.495 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000039353606 361989386 /nfs/dbraw/zinc/98/93/86/361989386.db2.gz OSFKCEOCOBZTEK-GFCCVEGCSA-N 1 0 257.337 2.495 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CO)C(C)(C)C)c1O ZINC000205817412 539285932 /nfs/dbraw/zinc/28/59/32/539285932.db2.gz DPJOCVMDISYAFP-ZDUSSCGKSA-N 1 0 267.369 2.288 20 10 CECDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H]1O ZINC000271347279 344667293 /nfs/dbraw/zinc/66/72/93/344667293.db2.gz PHTPFWLIDFJDAV-SWLSCSKDSA-N 1 0 266.360 2.094 20 10 CECDRO C[C@@H](C[NH3+])C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000054344779 362529907 /nfs/dbraw/zinc/52/99/07/362529907.db2.gz JKDHWFABQWBXFW-AWEZNQCLSA-N 1 0 289.423 2.230 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCO2)c1O ZINC000076274268 363532793 /nfs/dbraw/zinc/53/27/93/363532793.db2.gz WJWKBOPZOTXACV-LLVKDONJSA-N 1 0 271.744 2.323 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1cc(F)ccc1O ZINC000094618486 364284339 /nfs/dbraw/zinc/28/43/39/364284339.db2.gz VZBKCRZSEROYNE-YUTCNCBUSA-N 1 0 294.370 2.045 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCS1 ZINC000171606457 367577759 /nfs/dbraw/zinc/57/77/59/367577759.db2.gz RAKQFHNCULYSNI-SECBINFHSA-N 1 0 267.350 2.058 20 10 CECDRO CCC[C@H]1C[N@H+](Cc2ccccc2O)CCN1CCOC ZINC000179585253 368342806 /nfs/dbraw/zinc/34/28/06/368342806.db2.gz YPSBLIMUXPSBOX-INIZCTEOSA-N 1 0 292.423 2.325 20 10 CECDRO COC(=O)CC[N@@H+](Cc1cc(OC)ccc1O)CC(C)C ZINC000179764302 368350754 /nfs/dbraw/zinc/35/07/54/368350754.db2.gz PWQQAPBYFQHTFY-UHFFFAOYSA-N 1 0 295.379 2.422 20 10 CECDRO COc1cccc(CN2CCC([NH2+]C(C)C)CC2)c1O ZINC000179836083 368354052 /nfs/dbraw/zinc/35/40/52/368354052.db2.gz BBMFAZCNXCDWSX-UHFFFAOYSA-N 1 0 278.396 2.363 20 10 CECDRO CCCCC[N@H+](CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000180810999 368398262 /nfs/dbraw/zinc/39/82/62/368398262.db2.gz GZCWDLHCWKVLPG-UHFFFAOYSA-N 1 0 277.412 2.230 20 10 CECDRO C[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1cc(F)ccc1O ZINC000185361771 368797263 /nfs/dbraw/zinc/79/72/63/368797263.db2.gz HYKQSQPOHCSSIV-LBPRGKRZSA-N 1 0 296.386 2.293 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000188115594 369299820 /nfs/dbraw/zinc/29/98/20/369299820.db2.gz IIFVBKSXUCDAOR-CJNGLKHVSA-N 1 0 290.407 2.384 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000188828718 369415329 /nfs/dbraw/zinc/41/53/29/369415329.db2.gz NUQQIBWYSALXNZ-AAEUAGOBSA-N 1 0 265.353 2.042 20 10 CECDRO CC[C@@]1(C)C[N@H+](Cc2cccc(OC)c2O)CCO1 ZINC000191153454 369684759 /nfs/dbraw/zinc/68/47/59/369684759.db2.gz UCXYDISFOVLTBK-HNNXBMFYSA-N 1 0 265.353 2.402 20 10 CECDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000191757997 369740441 /nfs/dbraw/zinc/74/04/41/369740441.db2.gz CQFOHCNFTBNOBH-BXUZGUMPSA-N 1 0 266.360 2.406 20 10 CECDRO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc(C)c1O ZINC000191672362 369732557 /nfs/dbraw/zinc/73/25/57/369732557.db2.gz PIEHNMUCQYYQEJ-VHDGCEQUSA-N 1 0 289.375 2.474 20 10 CECDRO CCCOc1ccc(C[NH2+]CCCCO)c(O)c1 ZINC000193254425 369913001 /nfs/dbraw/zinc/91/30/01/369913001.db2.gz JPSUCDMVXIGLRR-UHFFFAOYSA-N 1 0 253.342 2.043 20 10 CECDRO [NH3+][C@@H]1CC=C(C(=O)N2CC3(CC3)c3ccccc32)C1 ZINC000638008117 370235547 /nfs/dbraw/zinc/23/55/47/370235547.db2.gz RUMOATLVWNHLEQ-GFCCVEGCSA-N 1 0 254.333 2.112 20 10 CECDRO CN1CCCN(C(=O)C2=CC[C@H]([NH3+])C2)c2ccc(F)cc21 ZINC000638120425 370316155 /nfs/dbraw/zinc/31/61/55/370316155.db2.gz DMVGDRODWGPJPO-ZDUSSCGKSA-N 1 0 289.354 2.046 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000226618163 370348658 /nfs/dbraw/zinc/34/86/58/370348658.db2.gz VCKXSESNABGUED-GXTWGEPZSA-N 1 0 251.301 2.188 20 10 CECDRO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccccc1O ZINC000248842806 371254506 /nfs/dbraw/zinc/25/45/06/371254506.db2.gz OLLPWFIICXHRQE-LNSITVRQSA-N 1 0 275.348 2.166 20 10 CECDRO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cccc(C)c1O ZINC000248846960 371255614 /nfs/dbraw/zinc/25/56/14/371255614.db2.gz PIEHNMUCQYYQEJ-CFVMTHIKSA-N 1 0 289.375 2.474 20 10 CECDRO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)CC1=O ZINC000361388547 371823151 /nfs/dbraw/zinc/82/31/51/371823151.db2.gz FQPPOPGMNJMXEQ-WQAKAFBOSA-N 1 0 294.782 2.145 20 10 CECDRO C[N@H+](CCC(C)(C)O)Cc1ccc(N2CCOCC2)cc1 ZINC000267414049 372071807 /nfs/dbraw/zinc/07/18/07/372071807.db2.gz LBHNEPNVJGJCST-UHFFFAOYSA-N 1 0 292.423 2.116 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2ccc(CO)o2)cc1 ZINC000269330545 372421828 /nfs/dbraw/zinc/42/18/28/372421828.db2.gz BPHVYNSUOWRXGI-UHFFFAOYSA-N 1 0 274.364 2.470 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CCO)cc1F ZINC000271004831 373060082 /nfs/dbraw/zinc/06/00/82/373060082.db2.gz MTMRPUHPKXSWSH-UHFFFAOYSA-N 1 0 254.349 2.096 20 10 CECDRO O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Cl ZINC000271060637 373099124 /nfs/dbraw/zinc/09/91/24/373099124.db2.gz FFTSGTJDVHPIHM-ZDUSSCGKSA-N 1 0 294.782 2.289 20 10 CECDRO Oc1cccc(Cl)c1CN1CCO[C@H]2CCOC[C@H]21 ZINC000366495799 373071215 /nfs/dbraw/zinc/07/12/15/373071215.db2.gz HLQVSQIXWPTQQA-OCCSQVGLSA-N 1 0 283.755 2.035 20 10 CECDRO COC[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271158845 373152192 /nfs/dbraw/zinc/15/21/92/373152192.db2.gz DZNYRJVYXQAKJB-ZDUSSCGKSA-N 1 0 266.360 2.360 20 10 CECDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)[nH]1 ZINC000271445906 373193227 /nfs/dbraw/zinc/19/32/27/373193227.db2.gz SXPTZJMKEKCLJB-CYBMUJFWSA-N 1 0 272.352 2.198 20 10 CECDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)[C@H](O)C(F)(F)F ZINC000271767597 373200097 /nfs/dbraw/zinc/20/00/97/373200097.db2.gz ATHKFBSDFUCPKD-PWSUYJOCSA-N 1 0 277.286 2.492 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000271798415 373200490 /nfs/dbraw/zinc/20/04/90/373200490.db2.gz IIMDSONRZDQSOP-HNNXBMFYSA-N 1 0 291.322 2.363 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000271732874 373200723 /nfs/dbraw/zinc/20/07/23/373200723.db2.gz NOQYLLBNJINMBZ-JTQLQIEISA-N 1 0 269.728 2.041 20 10 CECDRO Cc1cccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c1O ZINC000271766378 373201427 /nfs/dbraw/zinc/20/14/27/373201427.db2.gz AJCZJWDQZMLJKM-NSHDSACASA-N 1 0 263.259 2.104 20 10 CECDRO COc1ccc(O)c(C[N@H+](CCO)Cc2ccccc2)c1 ZINC000271824815 373203820 /nfs/dbraw/zinc/20/38/20/373203820.db2.gz PTKDAARCQVICOR-UHFFFAOYSA-N 1 0 287.359 2.395 20 10 CECDRO CC(C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000272303879 373418412 /nfs/dbraw/zinc/41/84/12/373418412.db2.gz QESHQMRZOCQDBX-UHFFFAOYSA-N 1 0 294.370 2.268 20 10 CECDRO Oc1c(F)cccc1CN1CC[NH+](C2CCC2)CC1 ZINC000272307768 373422793 /nfs/dbraw/zinc/42/27/93/373422793.db2.gz RCUPUKMYKRNHGD-UHFFFAOYSA-N 1 0 264.344 2.201 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCc2nc(C)n[nH]2)cc1 ZINC000272598320 373572145 /nfs/dbraw/zinc/57/21/45/373572145.db2.gz TUWWHEZZIOOWIO-LBPRGKRZSA-N 1 0 287.411 2.463 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cn2cncn2)c1 ZINC000273359265 373754171 /nfs/dbraw/zinc/75/41/71/373754171.db2.gz ACUFWHADJCXYEG-VXGBXAGGSA-N 1 0 260.341 2.031 20 10 CECDRO OC[C@]1([NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOC1 ZINC000273484623 373760533 /nfs/dbraw/zinc/76/05/33/373760533.db2.gz LWDXVMQTAQPRKP-GOSISDBHSA-N 1 0 299.370 2.300 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Cl)ccc1O ZINC000273480127 373760582 /nfs/dbraw/zinc/76/05/82/373760582.db2.gz LWPRGSSUKXYJCD-MEBBXXQBSA-N 1 0 299.798 2.484 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000374998458 374638362 /nfs/dbraw/zinc/63/83/62/374638362.db2.gz NLLQCFMNIJXDMZ-CHWSQXEVSA-N 1 0 277.364 2.259 20 10 CECDRO CC[C@H]([NH2+][C@@H](CO)CCOC)c1ccc(C)cc1O ZINC000281764880 375396476 /nfs/dbraw/zinc/39/64/76/375396476.db2.gz WOSIHVKHGAQDNI-OCCSQVGLSA-N 1 0 267.369 2.139 20 10 CECDRO C[NH+](C)CCN(C(=O)C=Cc1c[nH]cn1)c1ccccc1 ZINC000283351018 375695629 /nfs/dbraw/zinc/69/56/29/375695629.db2.gz COCLXGOTDBOJTA-CMDGGOBGSA-N 1 0 284.363 2.018 20 10 CECDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000285556852 375840096 /nfs/dbraw/zinc/84/00/96/375840096.db2.gz REKRXFKRERLNLW-SWLSCSKDSA-N 1 0 261.365 2.384 20 10 CECDRO Cn1nccc1C1=CC[N@H+](Cc2ccccc2O)CC1 ZINC000289072693 376387226 /nfs/dbraw/zinc/38/72/26/376387226.db2.gz AJICDKCIQXJQRL-UHFFFAOYSA-N 1 0 269.348 2.415 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@H]2CCOC[C@@H]2C)cc1OC ZINC000289236822 376389211 /nfs/dbraw/zinc/38/92/11/376389211.db2.gz DJZGRXNPDOVMEI-NWDGAFQWSA-N 1 0 295.379 2.172 20 10 CECDRO CC(=O)N1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293597901 377648411 /nfs/dbraw/zinc/64/84/11/377648411.db2.gz UXPMBXOXQPKAEU-UHFFFAOYSA-N 1 0 289.423 2.115 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)C(F)F ZINC000294993164 378034170 /nfs/dbraw/zinc/03/41/70/378034170.db2.gz HULLJVVLQXNGGL-GXSJLCMTSA-N 1 0 263.259 2.026 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCNC2=O)cc1F ZINC000295129669 378043430 /nfs/dbraw/zinc/04/34/30/378043430.db2.gz XVIFUSIYFHOLAG-AWEZNQCLSA-N 1 0 293.386 2.040 20 10 CECDRO COc1cc(O)c(C[NH2+]CC2(OC)CCCC2)cc1OC ZINC000295582835 378222958 /nfs/dbraw/zinc/22/29/58/378222958.db2.gz BOUIQXOUPMCGEA-UHFFFAOYSA-N 1 0 295.379 2.458 20 10 CECDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000295497253 378183637 /nfs/dbraw/zinc/18/36/37/378183637.db2.gz YBMINVIBHRSVAF-MRVPVSSYSA-N 1 0 289.734 2.426 20 10 CECDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(F)ccc(O)c1O ZINC000295918702 378355027 /nfs/dbraw/zinc/35/50/27/378355027.db2.gz FDSIJKKRUBAVLE-JTQLQIEISA-N 1 0 298.358 2.087 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1 ZINC000529640769 380181474 /nfs/dbraw/zinc/18/14/74/380181474.db2.gz DJDVMHAUUDEKND-ABAIWWIYSA-N 1 0 263.337 2.058 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000272513069 285384854 /nfs/dbraw/zinc/38/48/54/285384854.db2.gz XGQDJFSQQDMZLH-CYBMUJFWSA-N 1 0 281.327 2.307 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c1 ZINC000293651312 292014132 /nfs/dbraw/zinc/01/41/32/292014132.db2.gz LHVCMJMHDKWDNB-RYUDHWBXSA-N 1 0 294.395 2.027 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H](C)CO)c1ccc(N(C)C)cc1 ZINC000268799315 394699677 /nfs/dbraw/zinc/69/96/77/394699677.db2.gz AOQBFNOKJGZUTD-IUODEOHRSA-N 1 0 250.386 2.422 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C)Cc1cc(C)c(C)cc1O ZINC000122034048 394808042 /nfs/dbraw/zinc/80/80/42/394808042.db2.gz VPVGXQMNJUUQBG-UHFFFAOYSA-N 1 0 278.396 2.309 20 10 CECDRO CC[N@H+](Cc1cc(Cl)cc(C)c1O)[C@H]1CCNC1=O ZINC000281844082 394861585 /nfs/dbraw/zinc/86/15/85/394861585.db2.gz TXRRRDHIPZYTDA-LBPRGKRZSA-N 1 0 282.771 2.064 20 10 CECDRO CC[C@@H](C)[NH+]1CCN(Cc2cccc(OC)c2O)CC1 ZINC000133825985 394955506 /nfs/dbraw/zinc/95/55/06/394955506.db2.gz APVMPGXOSINVBY-CYBMUJFWSA-N 1 0 278.396 2.317 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H]2CCOC[C@H]21 ZINC000366498135 394946399 /nfs/dbraw/zinc/94/63/99/394946399.db2.gz RFJXWONGZIOFLT-IIAWOOMASA-N 1 0 277.364 2.333 20 10 CECDRO C[C@@H](C(=O)NC1CC1)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372801521 395047294 /nfs/dbraw/zinc/04/72/94/395047294.db2.gz KYSKMDJDJKVLGN-ZDUSSCGKSA-N 1 0 299.418 2.119 20 10 CECDRO [O-]c1c(F)cccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158823905 395054478 /nfs/dbraw/zinc/05/44/78/395054478.db2.gz IFMFNZZBJDLUIJ-CHWSQXEVSA-N 1 0 264.344 2.248 20 10 CECDRO Cc1cc(CN2CC[NH+](Cc3ccccc3O)CC2)on1 ZINC000179554689 395194751 /nfs/dbraw/zinc/19/47/51/395194751.db2.gz CRQSQXJJKYPBDW-UHFFFAOYSA-N 1 0 287.363 2.006 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000183523647 395258909 /nfs/dbraw/zinc/25/89/09/395258909.db2.gz UPOCURAGKFBPOV-GIPNMCIBSA-N 1 0 255.383 2.155 20 10 CECDRO COc1cc(O)c(C[NH2+]CC2(SC)CC2)cc1OC ZINC000193366522 395406704 /nfs/dbraw/zinc/40/67/04/395406704.db2.gz SJLCKNFTDWCCSP-UHFFFAOYSA-N 1 0 283.393 2.395 20 10 CECDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000193498497 395409760 /nfs/dbraw/zinc/40/97/60/395409760.db2.gz RXGLIZNBEBLNSF-UONOGXRCSA-N 1 0 275.348 2.053 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccc(N(C)C)cc1 ZINC000154543781 287037773 /nfs/dbraw/zinc/03/77/73/287037773.db2.gz YIEXUBCFTFDDTM-CZUORRHYSA-N 1 0 261.413 2.497 20 10 CECDRO CN(C)[C@H](C[NH2+]Cc1ccccc1O)c1ccco1 ZINC000020122157 171002118 /nfs/dbraw/zinc/00/21/18/171002118.db2.gz VGHPRDDZCHQYNU-CYBMUJFWSA-N 1 0 260.337 2.378 20 10 CECDRO COCCOCCC[NH2+][C@@H](C)c1ccccc1O ZINC000020192034 171058169 /nfs/dbraw/zinc/05/81/69/171058169.db2.gz ZNXFLOOXPWFFCT-LBPRGKRZSA-N 1 0 253.342 2.096 20 10 CECDRO COc1cccc(C[NH2+]C[C@H](CC(C)C)N(C)C)c1O ZINC000020201395 171065174 /nfs/dbraw/zinc/06/51/74/171065174.db2.gz BCQJSYLFBGMZAC-AWEZNQCLSA-N 1 0 280.412 2.467 20 10 CECDRO C[C@H](CNC(=O)Cc1ccc(N)cc1)C[NH+]1CCCCC1 ZINC000038042233 174045335 /nfs/dbraw/zinc/04/53/35/174045335.db2.gz NYCFPIBZWVQKON-CQSZACIVSA-N 1 0 289.423 2.050 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000077900120 260167326 /nfs/dbraw/zinc/16/73/26/260167326.db2.gz XFZQBDXEMIPOHM-OAHLLOKOSA-N 1 0 289.423 2.243 20 10 CECDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(O)c1O ZINC000126211512 260346843 /nfs/dbraw/zinc/34/68/43/260346843.db2.gz BRDXEMKLDMDWTA-LBPRGKRZSA-N 1 0 294.395 2.338 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)cc1 ZINC000152374690 261063546 /nfs/dbraw/zinc/06/35/46/261063546.db2.gz ACAZJEKCNUEMNU-DZGCQCFKSA-N 1 0 289.423 2.414 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000153031510 261072564 /nfs/dbraw/zinc/07/25/64/261072564.db2.gz CUGOIKUPLQOODL-LLVKDONJSA-N 1 0 285.771 2.331 20 10 CECDRO CCOC(=O)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000158104381 261158362 /nfs/dbraw/zinc/15/83/62/261158362.db2.gz KVHKORNUSOSXNS-UHFFFAOYSA-N 1 0 277.364 2.476 20 10 CECDRO COc1cc(O)c(C[N@H+](C)C[C@@H]2CCCCO2)cc1OC ZINC000159920264 261198288 /nfs/dbraw/zinc/19/82/88/261198288.db2.gz UJOZLJAFICBZCU-ZDUSSCGKSA-N 1 0 295.379 2.410 20 10 CECDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)[C@H](C)CO ZINC000164322258 261348293 /nfs/dbraw/zinc/34/82/93/261348293.db2.gz KADQILYULBMEFG-RKDXNWHRSA-N 1 0 288.185 2.261 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c1 ZINC000367437329 262028001 /nfs/dbraw/zinc/02/80/01/262028001.db2.gz INHNPHHGCOZIJU-YLVFBTJISA-N 1 0 288.391 2.408 20 10 CECDRO C[C@H]([NH2+]C[C@]1(O)CCSC1)c1cc(F)ccc1O ZINC000185639546 262063596 /nfs/dbraw/zinc/06/35/96/262063596.db2.gz MEQISNCSZHHUNA-TVQRCGJNSA-N 1 0 271.357 2.050 20 10 CECDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nncn1C ZINC000285500336 263093390 /nfs/dbraw/zinc/09/33/90/263093390.db2.gz XMTWLOVHPTYOGH-HNNXBMFYSA-N 1 0 287.411 2.368 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)[C@H]1CCOC1 ZINC000135201746 264559217 /nfs/dbraw/zinc/55/92/17/264559217.db2.gz RUEGBRCWRXPLAD-ZBFHGGJFSA-N 1 0 290.407 2.038 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1cc(F)ccc1O ZINC000368329418 267163199 /nfs/dbraw/zinc/16/31/99/267163199.db2.gz DBUUUDXGXKJECY-BXUZGUMPSA-N 1 0 294.370 2.045 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000368351862 267164813 /nfs/dbraw/zinc/16/48/13/267164813.db2.gz LSFDXTNWCWEPLX-JSGCOSHPSA-N 1 0 297.420 2.210 20 10 CECDRO CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+](CC)CC ZINC000265460178 276609656 /nfs/dbraw/zinc/60/96/56/276609656.db2.gz XGINRYORPVLXQH-MRXNPFEDSA-N 1 0 291.439 2.489 20 10 CECDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000296258701 277398791 /nfs/dbraw/zinc/39/87/91/277398791.db2.gz BNUZYGDGHGSDHP-YNEHKIRRSA-N 1 0 275.348 2.311 20 10 CECDRO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296436061 278540317 /nfs/dbraw/zinc/54/03/17/278540317.db2.gz MITBVVJTRXGBIJ-VNHYZAJKSA-N 1 0 293.407 2.127 20 10 CECDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000118381767 279108826 /nfs/dbraw/zinc/10/88/26/279108826.db2.gz RZMFINMSBWQIDD-ZJUUUORDSA-N 1 0 281.377 2.447 20 10 CECDRO CN(C)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000296533420 282045118 /nfs/dbraw/zinc/04/51/18/282045118.db2.gz RVCKNGOIYDAQPP-CYBMUJFWSA-N 1 0 260.381 2.453 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCN(C)CCOC)cc1 ZINC000159332318 327642791 /nfs/dbraw/zinc/64/27/91/327642791.db2.gz TWNMYSAUOZPZEV-OAHLLOKOSA-N 1 0 293.455 2.372 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@@H]2CCCO2)c2c1c(F)ccc2O ZINC000527955034 313219882 /nfs/dbraw/zinc/21/98/82/313219882.db2.gz LRMWPKTXJOIWAA-OJDJGZDQSA-N 1 0 295.354 2.209 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2([S@](C)=O)CCC2)cc1C ZINC000280739176 328236257 /nfs/dbraw/zinc/23/62/57/328236257.db2.gz WPTNBAFHEIGQFC-IBGZPJMESA-N 1 0 281.421 2.400 20 10 CECDRO COC(=O)C(C)(C)CC[NH2+]Cc1cccc(OC)c1O ZINC000285511041 328247779 /nfs/dbraw/zinc/24/77/79/328247779.db2.gz NKGONCIKVWXDHO-UHFFFAOYSA-N 1 0 281.352 2.080 20 10 CECDRO CC[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000293876434 327172339 /nfs/dbraw/zinc/17/23/39/327172339.db2.gz FISWPQCVGVDEKM-GFCCVEGCSA-N 1 0 285.771 2.451 20 10 CECDRO COc1ccc(O)c([C@@H](C)[N@@H+]2CCN3CCC2CC3)c1 ZINC000377634183 329022113 /nfs/dbraw/zinc/02/21/13/329022113.db2.gz ZBKJCWZZKMHDKX-GFCCVEGCSA-N 1 0 276.380 2.242 20 10 CECDRO COc1ccc(N2CCC([NH2+]C[C@@H](O)C3CC3)CC2)cc1 ZINC000377634044 329022271 /nfs/dbraw/zinc/02/22/71/329022271.db2.gz WOKZYOQCVDPFOP-QGZVFWFLSA-N 1 0 290.407 2.025 20 10 CECDRO Cn1ncc2c1ncnc2N1CC=C(c2cccnc2)CC1 ZINC000378613216 329056652 /nfs/dbraw/zinc/05/66/52/329056652.db2.gz WXECDHYAAUPUEF-UHFFFAOYSA-N 1 0 292.346 2.052 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@H](C)N(C)C)c1O ZINC000228677459 329344252 /nfs/dbraw/zinc/34/42/52/329344252.db2.gz VVSBVQHVKYSOJY-VIFPVBQESA-N 1 0 272.776 2.094 20 10 CECDRO COc1ccc(N2CCC([NH2+]CC[C@@H](C)O)CC2)cc1 ZINC000119043695 329547476 /nfs/dbraw/zinc/54/74/76/329547476.db2.gz NGAQUZYJZVGBKW-CYBMUJFWSA-N 1 0 278.396 2.025 20 10 CECDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000527805201 330284323 /nfs/dbraw/zinc/28/43/23/330284323.db2.gz URIIXPUBTOFKPQ-SPTRTOBYSA-N 1 0 279.336 2.022 20 10 CECDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000527805197 330284435 /nfs/dbraw/zinc/28/44/35/330284435.db2.gz URIIXPUBTOFKPQ-AMDHYVTDSA-N 1 0 279.336 2.022 20 10 CECDRO C[C@H]([NH2+]CC1COC1)c1cc(Br)ccc1O ZINC000528024135 330304865 /nfs/dbraw/zinc/30/48/65/330304865.db2.gz GQXNYLVIODPNHF-QMMMGPOBSA-N 1 0 286.169 2.452 20 10 CECDRO C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3[O-])CC[C@@H]21 ZINC000166378806 331306958 /nfs/dbraw/zinc/30/69/58/331306958.db2.gz FGUROKCVMWRJSY-WFASDCNBSA-N 1 0 278.371 2.447 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000226584878 333265647 /nfs/dbraw/zinc/26/56/47/333265647.db2.gz UFWVRASPCQNIPZ-KBPBESRZSA-N 1 0 264.344 2.248 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1O ZINC000228144239 333295598 /nfs/dbraw/zinc/29/55/98/333295598.db2.gz YHKJPXVBHSRNLB-OLZOCXBDSA-N 1 0 263.337 2.154 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000228144048 333295658 /nfs/dbraw/zinc/29/56/58/333295658.db2.gz UMEWJXSQKGUFIU-HIFRSBDPSA-N 1 0 263.337 2.154 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)c2cn[nH]c2)c1O ZINC000229883651 333310791 /nfs/dbraw/zinc/31/07/91/333310791.db2.gz IACKTVGXMKRTSZ-SNVBAGLBSA-N 1 0 261.325 2.365 20 10 CECDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(OCC)ccc1O ZINC000264863391 520939232 /nfs/dbraw/zinc/93/92/32/520939232.db2.gz PMZQVTJUUPLQBC-OAHLLOKOSA-N 1 0 267.369 2.432 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CSC2(C)C)cc1OC ZINC000283155062 518137848 /nfs/dbraw/zinc/13/78/48/518137848.db2.gz XVMMCZPSOKSXER-ZDUSSCGKSA-N 1 0 283.393 2.393 20 10 CECDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000271464225 519827389 /nfs/dbraw/zinc/82/73/89/519827389.db2.gz GNCIECKXRJVTSX-GXTWGEPZSA-N 1 0 293.363 2.414 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2COC[C@@H]2OC)cc1F ZINC000289689964 520910172 /nfs/dbraw/zinc/91/01/72/520910172.db2.gz DAYZJDDBFWNTCT-HOCLYGCPSA-N 1 0 296.386 2.175 20 10 CECDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000290235471 520966804 /nfs/dbraw/zinc/96/68/04/520966804.db2.gz UAFWONBHTZRDPL-MRXNPFEDSA-N 1 0 279.380 2.385 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCC[C@@H](C)O)c1 ZINC000278626072 521150492 /nfs/dbraw/zinc/15/04/92/521150492.db2.gz KDQJFSPXLZBXCP-LLVKDONJSA-N 1 0 253.342 2.042 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000237046483 521151298 /nfs/dbraw/zinc/15/12/98/521151298.db2.gz KBVLOZVEFKSHHJ-LBPRGKRZSA-N 1 0 265.353 2.307 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H](C)COC)c1O ZINC000045656371 521364101 /nfs/dbraw/zinc/36/41/01/521364101.db2.gz BVOPIQQUBUYVEG-LLVKDONJSA-N 1 0 253.342 2.163 20 10 CECDRO CCC(O)(CC)CC[NH2+]Cc1cccc(OC)c1O ZINC000276232109 521651663 /nfs/dbraw/zinc/65/16/63/521651663.db2.gz NTMYFNRBHMIYPG-UHFFFAOYSA-N 1 0 267.369 2.432 20 10 CECDRO CCNC(=O)C1(C[NH2+]Cc2cc(C)c(C)cc2O)CCC1 ZINC000277474061 521733449 /nfs/dbraw/zinc/73/34/49/521733449.db2.gz RRWDETLHZPHFNG-UHFFFAOYSA-N 1 0 290.407 2.405 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1F ZINC000074370960 522212536 /nfs/dbraw/zinc/21/25/36/522212536.db2.gz YQHDQMFDIVAVBU-UKRRQHHQSA-N 1 0 266.360 2.285 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)[C@H]1CCCO1 ZINC000278616621 522363632 /nfs/dbraw/zinc/36/36/32/522363632.db2.gz JHFJRBJULNNSFE-GDBMZVCRSA-N 1 0 279.380 2.287 20 10 CECDRO CC[C@H]([NH2+]CCOCCOC)c1ccccc1O ZINC000044693697 522598007 /nfs/dbraw/zinc/59/80/07/522598007.db2.gz JPRCUQASKYBTOB-ZDUSSCGKSA-N 1 0 253.342 2.096 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCN(CCOC)C1)c1ccc(C)cc1O ZINC000279973796 522717514 /nfs/dbraw/zinc/71/75/14/522717514.db2.gz DDTHQZBRRHJPMY-ZBFHGGJFSA-N 1 0 292.423 2.462 20 10 CECDRO COC[C@H]([NH2+][C@@H](C)c1ccccc1O)[C@H]1CCCO1 ZINC000278659752 522759406 /nfs/dbraw/zinc/75/94/06/522759406.db2.gz FHZYLGQBHUXCRL-CORIIIEPSA-N 1 0 265.353 2.237 20 10 CECDRO CC[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccccc1O ZINC000155386839 522823611 /nfs/dbraw/zinc/82/36/11/522823611.db2.gz YZDBWMOTJZWMNQ-CYBMUJFWSA-N 1 0 264.369 2.301 20 10 CECDRO C[N@H+](CCNC(=O)NCc1ccccc1O)C1CCCC1 ZINC000264309671 522853903 /nfs/dbraw/zinc/85/39/03/522853903.db2.gz PZJCQNXIMKPEDN-UHFFFAOYSA-N 1 0 291.395 2.066 20 10 CECDRO COCCN(CC[NH+](C)C)Cc1cc(C)c(C)cc1O ZINC000289475271 523697664 /nfs/dbraw/zinc/69/76/64/523697664.db2.gz PWWSKGHXCPECOP-UHFFFAOYSA-N 1 0 280.412 2.019 20 10 CECDRO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cccc(C)c1O ZINC000274923150 523987416 /nfs/dbraw/zinc/98/74/16/523987416.db2.gz MSMYVFJGEUYBRV-BXUZGUMPSA-N 1 0 277.364 2.474 20 10 CECDRO Cc1cc(C(=O)N[C@@H](C)C[NH3+])c(C)n1-c1ccccc1 ZINC000262475802 524117756 /nfs/dbraw/zinc/11/77/56/524117756.db2.gz PSAUXRSEOZCKIB-NSHDSACASA-N 1 0 271.364 2.171 20 10 CECDRO Cc1cccc(C[N@@H+]2CCCN(CC(F)F)CC2)c1O ZINC000290331474 524393582 /nfs/dbraw/zinc/39/35/82/524393582.db2.gz DSTONMBCEXDSKC-UHFFFAOYSA-N 1 0 284.350 2.473 20 10 CECDRO Cc1cc(C[N@H+](C)CC(C)(C)O)ccc1N(C)C ZINC000292696593 524659205 /nfs/dbraw/zinc/65/92/05/524659205.db2.gz AGRRXOMVOBKUDP-UHFFFAOYSA-N 1 0 250.386 2.264 20 10 CECDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000289577773 524730341 /nfs/dbraw/zinc/73/03/41/524730341.db2.gz JUQFGTWXFJHZKC-QWRGUYRKSA-N 1 0 253.317 2.294 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1O ZINC000280236221 524867365 /nfs/dbraw/zinc/86/73/65/524867365.db2.gz KEHWMZBPRHDXGX-AWEZNQCLSA-N 1 0 282.771 2.051 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1O ZINC000280200219 524869598 /nfs/dbraw/zinc/86/95/98/524869598.db2.gz BGRWLRKZCUFOLT-DGCLKSJQSA-N 1 0 299.798 2.089 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1 ZINC000280275586 525347447 /nfs/dbraw/zinc/34/74/47/525347447.db2.gz MXXNTZKWDPFLHK-QGZVFWFLSA-N 1 0 291.391 2.471 20 10 CECDRO C[C@H]([NH2+]CCS(C)(=O)=O)c1ccc2ccccc2c1O ZINC000037740510 525360261 /nfs/dbraw/zinc/36/02/61/525360261.db2.gz UKWAIRZCSCRLFB-NSHDSACASA-N 1 0 293.388 2.241 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCCNC2=O)c1 ZINC000036977561 525364518 /nfs/dbraw/zinc/36/45/18/525364518.db2.gz HJHIIHJGSTVFPU-WCQYABFASA-N 1 0 262.353 2.020 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)NC(C)(C)C ZINC000071122538 525445801 /nfs/dbraw/zinc/44/58/01/525445801.db2.gz WSWFBDZPZWHXHK-LBPRGKRZSA-N 1 0 277.412 2.145 20 10 CECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccccn1 ZINC000042879412 525517268 /nfs/dbraw/zinc/51/72/68/525517268.db2.gz XVDYHZIHCKESRE-SNVBAGLBSA-N 1 0 272.304 2.367 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)F)c(O)c1C ZINC000280427608 525723309 /nfs/dbraw/zinc/72/33/09/525723309.db2.gz BOJHVLDBPJKCGK-SNVBAGLBSA-N 1 0 286.322 2.041 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCCc2cnn(C)n2)c(O)c1C ZINC000293793325 525725906 /nfs/dbraw/zinc/72/59/06/525725906.db2.gz UMEUSHLCLFAIKA-CYBMUJFWSA-N 1 0 288.395 2.421 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c(O)c1 ZINC000230659276 525729289 /nfs/dbraw/zinc/72/92/89/525729289.db2.gz WCEKCVVKFCVIPT-LDYMZIIASA-N 1 0 263.259 2.274 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)c(O)c1C ZINC000280975238 525925506 /nfs/dbraw/zinc/92/55/06/525925506.db2.gz VUFYSOYOOUCCGM-RRFJBIMHSA-N 1 0 293.407 2.305 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c1O ZINC000290978637 525952448 /nfs/dbraw/zinc/95/24/48/525952448.db2.gz TWMFWNGOMQXXHS-AWEZNQCLSA-N 1 0 287.363 2.353 20 10 CECDRO Oc1ccc(CC[NH2+]Cc2cc3c(cc2O)OCO3)cc1 ZINC000042880377 526343629 /nfs/dbraw/zinc/34/36/29/526343629.db2.gz RXVMXYRGNVXAKD-UHFFFAOYSA-N 1 0 287.315 2.159 20 10 CECDRO O=C(CCC[NH2+]Cc1c(O)cccc1Cl)NC1CC1 ZINC000083551920 526443805 /nfs/dbraw/zinc/44/38/05/526443805.db2.gz MTHKAKCZALVSBE-UHFFFAOYSA-N 1 0 282.771 2.194 20 10 CECDRO Cc1nccn1CCC[N@@H+](C)Cc1ccccc1O ZINC000127433342 527410585 /nfs/dbraw/zinc/41/05/85/527410585.db2.gz RHULNFSQXCXSMK-UHFFFAOYSA-N 1 0 259.353 2.419 20 10 CECDRO Cc1nccnc1CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000292897079 527451439 /nfs/dbraw/zinc/45/14/39/527451439.db2.gz DLLVEJUKXXPZCN-UHFFFAOYSA-N 1 0 288.370 2.322 20 10 CECDRO C[NH+](C)[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 ZINC000738143870 574852885 /nfs/dbraw/zinc/85/28/85/574852885.db2.gz NFBRLXAAAKDKBC-MRXNPFEDSA-N 1 0 274.408 2.407 20 10 CECDRO NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000738440627 574863190 /nfs/dbraw/zinc/86/31/90/574863190.db2.gz WIDGGXFAZGALBO-UWVGGRQHSA-N 1 0 282.771 2.179 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)C[C@@H]2C)cc1C ZINC000742218430 575011670 /nfs/dbraw/zinc/01/16/70/575011670.db2.gz HOZPOLYMTPGJRK-XJKSGUPXSA-N 1 0 290.407 2.350 20 10 CECDRO COCCOC[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000742376677 575017996 /nfs/dbraw/zinc/01/79/96/575017996.db2.gz BPKWMARREZHHRA-JTQLQIEISA-N 1 0 273.760 2.187 20 10 CECDRO C[C@H]1CCN(CC[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000744450296 575121581 /nfs/dbraw/zinc/12/15/81/575121581.db2.gz QOECRTRKBLBUHQ-NSHDSACASA-N 1 0 268.788 2.477 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)c1ccco1 ZINC000747098896 575166967 /nfs/dbraw/zinc/16/69/67/575166967.db2.gz DVZDBEDWQOPNJQ-LBPRGKRZSA-N 1 0 267.712 2.462 20 10 CECDRO CCOc1ccc(C[NH2+]CC2(C)OCCCO2)c(O)c1 ZINC000752923441 575316466 /nfs/dbraw/zinc/31/64/66/575316466.db2.gz BVAVZPXYMUTGFE-UHFFFAOYSA-N 1 0 281.352 2.034 20 10 CECDRO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccc(N(C)C)cc1 ZINC000125548083 649938531 /nfs/dbraw/zinc/93/85/31/649938531.db2.gz XTVJHFNTJVYWET-YOEHRIQHSA-N 1 0 292.423 2.192 20 10 CECDRO C[NH+](C)CC1(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890761430 622933527 /nfs/dbraw/zinc/93/35/27/622933527.db2.gz RMXZHUNDIVCBHI-UHFFFAOYSA-N 1 0 282.771 2.004 20 10 CECDRO O=C(C[NH2+]Cc1ccccc1O)Nc1ccc(F)c(F)c1 ZINC000725841880 625616469 /nfs/dbraw/zinc/61/64/69/625616469.db2.gz QIADMXBVFQWIPF-UHFFFAOYSA-N 1 0 292.285 2.399 20 10 CECDRO COc1cc(C[N@H+](C)C[C@@H]2CCOC2)c(O)cc1C ZINC000160363380 623255860 /nfs/dbraw/zinc/25/58/60/623255860.db2.gz RBZGNIDGPNYQAV-LBPRGKRZSA-N 1 0 265.353 2.178 20 10 CECDRO COc1ccc(C[N@H+]2CCC[C@H](OC)C2)c(O)c1OC ZINC000891692946 623905740 /nfs/dbraw/zinc/90/57/40/623905740.db2.gz URNVKECRFKNOKD-LBPRGKRZSA-N 1 0 281.352 2.020 20 10 CECDRO CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C[C@@H]1CCCO1 ZINC000891784443 623967785 /nfs/dbraw/zinc/96/77/85/623967785.db2.gz XWORGDJNKIHGHM-ZDUSSCGKSA-N 1 0 295.379 2.410 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c(O)c1OC ZINC000892064895 624288261 /nfs/dbraw/zinc/28/82/61/624288261.db2.gz GADYYOKTUVVTOB-YPMHNXCESA-N 1 0 295.379 2.145 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(O)c1OC ZINC000892175091 624378773 /nfs/dbraw/zinc/37/87/73/624378773.db2.gz JUDNZAWANRMPHG-MRXNPFEDSA-N 1 0 293.363 2.022 20 10 CECDRO CC[C@@H](C)[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000178735871 624743296 /nfs/dbraw/zinc/74/32/96/624743296.db2.gz KQNQESFJVWZPKV-CQSZACIVSA-N 1 0 291.439 2.441 20 10 CECDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092067263 625771140 /nfs/dbraw/zinc/77/11/40/625771140.db2.gz NODIFHLVKGUENK-KRWDZBQOSA-N 1 0 292.423 2.380 20 10 CECDRO COc1ccc(C[NH2+]CCc2cccnc2)c(O)c1OC ZINC000892538349 625928755 /nfs/dbraw/zinc/92/87/55/625928755.db2.gz MYEUMUNPYSCSML-UHFFFAOYSA-N 1 0 288.347 2.137 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)NCCC(C)(C)[NH3+])cc1 ZINC000892860028 627815640 /nfs/dbraw/zinc/81/56/40/627815640.db2.gz IDSMPRRKOOEPOD-UHFFFAOYSA-N 1 0 292.427 2.021 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)c(O)c1OC ZINC000893096529 627998486 /nfs/dbraw/zinc/99/84/86/627998486.db2.gz MWPZUSAZIUTTFF-QWHCGFSZSA-N 1 0 295.379 2.313 20 10 CECDRO C[C@@]1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCCOC1 ZINC000221340725 628058342 /nfs/dbraw/zinc/05/83/42/628058342.db2.gz JEKATRYEFLQCTR-QGZVFWFLSA-N 1 0 290.407 2.182 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H](C)SC)c(O)c1OC ZINC000893183213 628101249 /nfs/dbraw/zinc/10/12/49/628101249.db2.gz TZEQOAYYLOZOIB-SECBINFHSA-N 1 0 271.382 2.251 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)c(O)c1OC ZINC000893219444 628148028 /nfs/dbraw/zinc/14/80/28/628148028.db2.gz GYFPUSPFDZIJEW-PWSUYJOCSA-N 1 0 281.352 2.067 20 10 CECDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185530176 628233363 /nfs/dbraw/zinc/23/33/63/628233363.db2.gz GEJYENDEVSNJJN-RYUDHWBXSA-N 1 0 269.410 2.465 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000313395041 628594245 /nfs/dbraw/zinc/59/42/45/628594245.db2.gz SOJYKKGPVQKIER-IUODEOHRSA-N 1 0 272.392 2.453 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c(O)c1OC ZINC000893471020 628640010 /nfs/dbraw/zinc/64/00/10/628640010.db2.gz BMCMWAKXCITAHS-WCQYABFASA-N 1 0 295.379 2.314 20 10 CECDRO CNC(=O)C1([NH2+]Cc2ccc(N(C)C)cc2C)CCCC1 ZINC000840938386 628756295 /nfs/dbraw/zinc/75/62/95/628756295.db2.gz OJTXSEZJCZPZNS-UHFFFAOYSA-N 1 0 289.423 2.209 20 10 CECDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000258877167 628779377 /nfs/dbraw/zinc/77/93/77/628779377.db2.gz GKKCNNZYBMGGIB-HUUCEWRRSA-N 1 0 260.381 2.371 20 10 CECDRO C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000925784337 628821375 /nfs/dbraw/zinc/82/13/75/628821375.db2.gz MLWVJFXIUPAANK-LUTQBAROSA-N 1 0 264.344 2.277 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CNOC1)c1ccc(N2CCCCC2)cc1 ZINC000925866408 628966651 /nfs/dbraw/zinc/96/66/51/628966651.db2.gz UJXWELIXLLABSV-UKRRQHHQSA-N 1 0 275.396 2.231 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C(=O)NC(C)C ZINC000840974522 628974080 /nfs/dbraw/zinc/97/40/80/628974080.db2.gz JZCTYPCLFKWSIH-ZDUSSCGKSA-N 1 0 277.412 2.064 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000237041629 628981628 /nfs/dbraw/zinc/98/16/28/628981628.db2.gz YDVLGGSCHQMVJB-CYBMUJFWSA-N 1 0 265.353 2.450 20 10 CECDRO COc1ccc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)c(O)c1OC ZINC000894009469 629080165 /nfs/dbraw/zinc/08/01/65/629080165.db2.gz NAQDMEPAYUGHTJ-NSHDSACASA-N 1 0 295.379 2.409 20 10 CECDRO COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000924860166 629123064 /nfs/dbraw/zinc/12/30/64/629123064.db2.gz APMHJKXAPRCWIZ-AWEZNQCLSA-N 1 0 282.359 2.133 20 10 CECDRO COc1ccc(C[NH+]2[C@@H](C)C[C@@H]2C)c(O)c1OC ZINC000894138861 629162179 /nfs/dbraw/zinc/16/21/79/629162179.db2.gz HULSCBQEHUSQOW-UWVGGRQHSA-N 1 0 251.326 2.392 20 10 CECDRO CCN1CCC([NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894148646 629171592 /nfs/dbraw/zinc/17/15/92/629171592.db2.gz CJTYTQMIDMVXAV-UHFFFAOYSA-N 1 0 278.396 2.283 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000237046431 629180249 /nfs/dbraw/zinc/18/02/49/629180249.db2.gz LDWUZZJETLUGTC-ZDUSSCGKSA-N 1 0 251.326 2.060 20 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HETRWZXJYWGTGB-STQMWFEESA-N 1 0 295.379 2.002 20 10 CECDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894741201 629618374 /nfs/dbraw/zinc/61/83/74/629618374.db2.gz RCYXXBDEQRZSBG-UHFFFAOYSA-N 1 0 295.379 2.388 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)c2cnccn2)c1O ZINC000894764274 629631585 /nfs/dbraw/zinc/63/15/85/629631585.db2.gz GSAAIUVGRNRKLB-JTQLQIEISA-N 1 0 259.309 2.042 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894797306 629646338 /nfs/dbraw/zinc/64/63/38/629646338.db2.gz QKJDSQCHCMACGE-HNNXBMFYSA-N 1 0 265.353 2.333 20 10 CECDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000894861504 629700067 /nfs/dbraw/zinc/70/00/67/629700067.db2.gz JJHVTWBPCQUIIA-UONOGXRCSA-N 1 0 274.408 2.488 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1O ZINC000894865131 629703692 /nfs/dbraw/zinc/70/36/92/629703692.db2.gz MRJNXHJMXKNKFD-WBMJQRKESA-N 1 0 279.380 2.350 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@H]2COCO2)cc1C ZINC000894891168 629726360 /nfs/dbraw/zinc/72/63/60/629726360.db2.gz ZSYFIBUMCPWGJN-AWEZNQCLSA-N 1 0 265.353 2.246 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CS[C@@H](C)C2)c(O)c1OC ZINC000894903140 629742920 /nfs/dbraw/zinc/74/29/20/629742920.db2.gz KGTIZNKTMYGYIF-GXSJLCMTSA-N 1 0 283.393 2.393 20 10 CECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000894974252 629776038 /nfs/dbraw/zinc/77/60/38/629776038.db2.gz FTAIQLKREUFSFS-QWHCGFSZSA-N 1 0 295.379 2.457 20 10 CECDRO CCc1cccc(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c1O ZINC000895123745 629926531 /nfs/dbraw/zinc/92/65/31/629926531.db2.gz ZCHTXGGXVAKGFY-GRYCIOLGSA-N 1 0 276.380 2.052 20 10 CECDRO CC(=O)OC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000895156060 629972162 /nfs/dbraw/zinc/97/21/62/629972162.db2.gz RHDYAZJFJVKNDJ-MRVPVSSYSA-N 1 0 257.717 2.087 20 10 CECDRO C[C@@H]([NH2+]CCC1(O)CCOCC1)c1cc(F)ccc1O ZINC000797033663 630109793 /nfs/dbraw/zinc/10/97/93/630109793.db2.gz YIZVUJNCNHXYSK-LLVKDONJSA-N 1 0 283.343 2.114 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)cc1C ZINC000895326749 630113582 /nfs/dbraw/zinc/11/35/82/630113582.db2.gz ZXUGKKGKXYINKE-OAHLLOKOSA-N 1 0 290.407 2.398 20 10 CECDRO CCOc1ccc(C[NH2+]CC2CSC2)c(O)c1 ZINC000895422642 630184586 /nfs/dbraw/zinc/18/45/86/630184586.db2.gz LFMRQTWAILCWQJ-UHFFFAOYSA-N 1 0 253.367 2.244 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000895459731 630202048 /nfs/dbraw/zinc/20/20/48/630202048.db2.gz HNBOMDFUJUJMDN-IJLUTSLNSA-N 1 0 263.337 2.385 20 10 CECDRO CC1=C[C@@H](C)C[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000797419423 630231919 /nfs/dbraw/zinc/23/19/19/630231919.db2.gz LPZCKAFTRTVKMQ-BMIGLBTASA-N 1 0 275.348 2.216 20 10 CECDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C)cc1O)C2 ZINC000895584634 630260471 /nfs/dbraw/zinc/26/04/71/630260471.db2.gz XPIBUQXWKFQOFR-YOEHRIQHSA-N 1 0 289.375 2.476 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)C[C@H]2CCCO2)cc1Cl ZINC000895750193 630328852 /nfs/dbraw/zinc/32/88/52/630328852.db2.gz XXDXXFZQFZSNLU-QWHCGFSZSA-N 1 0 299.798 2.374 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)[C@H]1OC ZINC000895851976 630376642 /nfs/dbraw/zinc/37/66/42/630376642.db2.gz LXDPXNDOBLEKBS-QMGNLALYSA-N 1 0 265.353 2.235 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000896239854 630509604 /nfs/dbraw/zinc/50/96/04/630509604.db2.gz NCNBWFBUGGLBQH-NSHDSACASA-N 1 0 289.335 2.082 20 10 CECDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cc(F)ccc3O)C[C@@H]21 ZINC000896447037 630567898 /nfs/dbraw/zinc/56/78/98/630567898.db2.gz NRLWZEOBZJZNBG-VNHYZAJKSA-N 1 0 293.338 2.162 20 10 CECDRO CC[N@H+](CCC(N)=O)Cc1cc(Cl)c(C)cc1O ZINC000896707012 630639285 /nfs/dbraw/zinc/63/92/85/630639285.db2.gz NMOKNVZEZKCDMY-UHFFFAOYSA-N 1 0 270.760 2.051 20 10 CECDRO CCO[C@@H](C[NH2+]Cc1cccc(CC)c1O)CN(C)C ZINC000896877608 630698683 /nfs/dbraw/zinc/69/86/83/630698683.db2.gz KXDPCXSAHPGPPL-HNNXBMFYSA-N 1 0 280.412 2.011 20 10 CECDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726197 635485543 /nfs/dbraw/zinc/48/55/43/635485543.db2.gz JCVBPQXTQJVTAS-LBPRGKRZSA-N 1 0 277.698 2.248 20 10 CECDRO COCC[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000798940878 630954447 /nfs/dbraw/zinc/95/44/47/630954447.db2.gz OJLCNYZNCMQNON-UMNHJUIQSA-N 1 0 283.343 2.067 20 10 CECDRO COc1cccc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1O ZINC000825332171 635618799 /nfs/dbraw/zinc/61/87/99/635618799.db2.gz SMVRNRMVPRXRLG-CQSZACIVSA-N 1 0 278.396 2.315 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928706597 631129211 /nfs/dbraw/zinc/12/92/11/631129211.db2.gz RKTICQNMBITIGP-GFCCVEGCSA-N 1 0 280.343 2.020 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN(C(C)=O)[C@H]2C)cc1C ZINC000985871089 631191628 /nfs/dbraw/zinc/19/16/28/631191628.db2.gz NQKAQSJAVKYXJJ-SWLSCSKDSA-N 1 0 276.380 2.103 20 10 CECDRO CCCC[N@H+](Cc1ccccc1O)CC1(CO)COC1 ZINC000801596344 631297443 /nfs/dbraw/zinc/29/74/43/631297443.db2.gz VXIZQNGQZSHKLK-UHFFFAOYSA-N 1 0 279.380 2.003 20 10 CECDRO C[C@H]1C[C@@H](CN(C)c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000841012033 631740907 /nfs/dbraw/zinc/74/09/07/631740907.db2.gz WTDOSXYOOSPKES-RYUDHWBXSA-N 1 0 262.353 2.240 20 10 CECDRO CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000806663107 631763458 /nfs/dbraw/zinc/76/34/58/631763458.db2.gz MPUFQTLKXDVQIP-AAEUAGOBSA-N 1 0 296.436 2.219 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000897563543 631784626 /nfs/dbraw/zinc/78/46/26/631784626.db2.gz WSDNLHJATNDEPY-INIZCTEOSA-N 1 0 287.363 2.008 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1F ZINC000897810250 631926237 /nfs/dbraw/zinc/92/62/37/631926237.db2.gz PGDZZIINFKQRGP-PDSBVLEXSA-N 1 0 294.345 2.296 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CC(N)=O)c1O ZINC000808703595 632002612 /nfs/dbraw/zinc/00/26/12/632002612.db2.gz PCDWQEKDINWNNQ-BDAKNGLRSA-N 1 0 270.760 2.269 20 10 CECDRO Oc1ccc2ccncc2c1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000840173587 632087832 /nfs/dbraw/zinc/08/78/32/632087832.db2.gz ZYICJEDEFROWJY-LBPRGKRZSA-N 1 0 276.311 2.111 20 10 CECDRO CCOc1ccc(CN(C)CCC[NH+](C)C)c(O)c1 ZINC000809729977 632133530 /nfs/dbraw/zinc/13/35/30/632133530.db2.gz VNMFBSNKWZHHAJ-UHFFFAOYSA-N 1 0 266.385 2.174 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1C ZINC000840188244 632154831 /nfs/dbraw/zinc/15/48/31/632154831.db2.gz ZNVSMAUZTRRLMZ-OAHLLOKOSA-N 1 0 290.407 2.498 20 10 CECDRO CC[C@H]([NH2+]CCO)c1ccc(C(F)(F)F)cc1O ZINC000810206652 632195313 /nfs/dbraw/zinc/19/53/13/632195313.db2.gz BGJCRIPMHCHUJJ-JTQLQIEISA-N 1 0 263.259 2.444 20 10 CECDRO CCOCc1cc(CN[C@H]2CCC[NH2+]C2)ccc1OC ZINC000841043454 632338956 /nfs/dbraw/zinc/33/89/56/632338956.db2.gz RNCUQCOHKVHDQR-HNNXBMFYSA-N 1 0 278.396 2.073 20 10 CECDRO Cc1cc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)nn1C ZINC000926912633 632351944 /nfs/dbraw/zinc/35/19/44/632351944.db2.gz XVPYVUOCUAAFMH-NSHDSACASA-N 1 0 277.343 2.467 20 10 CECDRO C[C@H]1C[C@H](NCc2c(O)cccc2Cl)CC[NH2+]1 ZINC000841061607 632363211 /nfs/dbraw/zinc/36/32/11/632363211.db2.gz LNLHBYBOGBKJGO-VHSXEESVSA-N 1 0 254.761 2.276 20 10 CECDRO CCO[C@@H](C[NH2+][C@@H](CC)c1ccccc1O)CN(C)C ZINC000926958249 632385619 /nfs/dbraw/zinc/38/56/19/632385619.db2.gz FIBNYHLDSLSSCY-ZFWWWQNUSA-N 1 0 280.412 2.400 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c1O ZINC000898392005 632473873 /nfs/dbraw/zinc/47/38/73/632473873.db2.gz OKZRUKAKMLBNHU-NVXWUHKLSA-N 1 0 269.344 2.449 20 10 CECDRO C[C@]12CSC[C@H]1C[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000898423482 632491434 /nfs/dbraw/zinc/49/14/34/632491434.db2.gz VSNCCXFCDKWWPB-ABAIWWIYSA-N 1 0 293.388 2.306 20 10 CECDRO Cl/C=C/C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000898435579 632496785 /nfs/dbraw/zinc/49/67/85/632496785.db2.gz JJHKEESZEPYIHI-LZCJLJQNSA-N 1 0 266.772 2.365 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c(O)c1C ZINC000927136326 632532202 /nfs/dbraw/zinc/53/22/02/632532202.db2.gz QNBOLFOGVKRLLQ-IUODEOHRSA-N 1 0 289.379 2.127 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccnn2C)c(O)c1C ZINC000927136327 632532561 /nfs/dbraw/zinc/53/25/61/632532561.db2.gz QNBOLFOGVKRLLQ-SWLSCSKDSA-N 1 0 289.379 2.127 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCOC[C@H]2CCOC)cc1 ZINC000815118415 632963286 /nfs/dbraw/zinc/96/32/86/632963286.db2.gz HHJQTUOKZXDBNX-QGZVFWFLSA-N 1 0 292.423 2.380 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCn2ccnn2)c(O)c1 ZINC000815614762 633038407 /nfs/dbraw/zinc/03/84/07/633038407.db2.gz AVGLGCXGGAOKMR-CYBMUJFWSA-N 1 0 274.368 2.341 20 10 CECDRO Oc1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc2ccccc21 ZINC000816522371 633407384 /nfs/dbraw/zinc/40/73/84/633407384.db2.gz WCDHJCHOOZGXMI-GASCZTMLSA-N 1 0 268.360 2.197 20 10 CECDRO CN1C[C@@H]([NH2+]Cc2ccc3ccccc3c2O)CCC1=O ZINC000816552503 633411460 /nfs/dbraw/zinc/41/14/60/633411460.db2.gz OGSAQVTUPRZHBL-AWEZNQCLSA-N 1 0 284.359 2.256 20 10 CECDRO COc1cccc(O)c1C[NH+]1CCC2(CC1)OCCCO2 ZINC000816645583 633455978 /nfs/dbraw/zinc/45/59/78/633455978.db2.gz BHDBZEXWQBDYOB-UHFFFAOYSA-N 1 0 293.363 2.130 20 10 CECDRO CCCN1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)CC1=O ZINC000817410858 633651082 /nfs/dbraw/zinc/65/10/82/633651082.db2.gz IVDNXSLJQUGUQU-LLVKDONJSA-N 1 0 296.798 2.394 20 10 CECDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000817415803 633654819 /nfs/dbraw/zinc/65/48/19/633654819.db2.gz ZLLQNQJEEXRTLF-ZDUSSCGKSA-N 1 0 282.771 2.064 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817418971 633656097 /nfs/dbraw/zinc/65/60/97/633656097.db2.gz MURNBSJGNDMAEH-CYBMUJFWSA-N 1 0 279.380 2.385 20 10 CECDRO [NH3+][C@@H]1CCC[C@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000817887738 633752228 /nfs/dbraw/zinc/75/22/28/633752228.db2.gz DIRASLLKDDEQEU-HZPDHXFCSA-N 1 0 291.464 2.209 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000817895036 633756628 /nfs/dbraw/zinc/75/66/28/633756628.db2.gz SZDASKODWMCHAM-BBRMVZONSA-N 1 0 261.413 2.291 20 10 CECDRO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc2c(c1)CCCN2C ZINC000817900443 633761412 /nfs/dbraw/zinc/76/14/12/633761412.db2.gz MTNMALYYXADGKL-XJKSGUPXSA-N 1 0 273.424 2.157 20 10 CECDRO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)C1CCOCC1 ZINC000817941456 633789469 /nfs/dbraw/zinc/78/94/69/633789469.db2.gz JVCWJZCDDNWFIC-DYVFJYSZSA-N 1 0 291.439 2.157 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817946280 633793305 /nfs/dbraw/zinc/79/33/05/633793305.db2.gz VEIUSOQIPROIJD-UWVGGRQHSA-N 1 0 270.323 2.321 20 10 CECDRO C[C@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817965955 633808405 /nfs/dbraw/zinc/80/84/05/633808405.db2.gz XMPJMWMKSLIYNG-JBLDHEPKSA-N 1 0 264.344 2.421 20 10 CECDRO COC[C@@]1(CN[C@H](C)c2ccc(C)c(C)c2O)CCC[NH2+]1 ZINC000817974469 633818565 /nfs/dbraw/zinc/81/85/65/633818565.db2.gz MMWJLMHATRSFCC-PBHICJAKSA-N 1 0 292.423 2.428 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H](F)CN2)c1 ZINC000817976271 633818645 /nfs/dbraw/zinc/81/86/45/633818645.db2.gz JHTMFHPUOUJOAG-SRVKXCTJSA-N 1 0 252.333 2.051 20 10 CECDRO COC[C@@]1(CN[C@@H](C)c2cc(Cl)ccc2O)CCC[NH2+]1 ZINC000817975889 633818763 /nfs/dbraw/zinc/81/87/63/633818763.db2.gz ZFQJCUFJJWNQEJ-NHYWBVRUSA-N 1 0 298.814 2.465 20 10 CECDRO COc1ccc(O)c([C@@H](C)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000817979957 633823507 /nfs/dbraw/zinc/82/35/07/633823507.db2.gz GSUGXHNLEAUTAX-NOZJJQNGSA-N 1 0 286.322 2.049 20 10 CECDRO CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(Cl)c1[O-] ZINC000817982976 633826520 /nfs/dbraw/zinc/82/65/20/633826520.db2.gz XEXHYKCQMOBKFN-BXUZGUMPSA-N 1 0 298.814 2.465 20 10 CECDRO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1=O ZINC000818112184 633870917 /nfs/dbraw/zinc/87/09/17/633870917.db2.gz VMMRWAHRLNGBLH-AWEZNQCLSA-N 1 0 288.391 2.111 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000818345974 633913910 /nfs/dbraw/zinc/91/39/10/633913910.db2.gz ZAINXKFDDBOAJX-HUUCEWRRSA-N 1 0 290.407 2.290 20 10 CECDRO CC[C@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818963983 634018924 /nfs/dbraw/zinc/01/89/24/634018924.db2.gz HJKMNWLRFUCEOW-HNNXBMFYSA-N 1 0 280.437 2.100 20 10 CECDRO C[C@H]([NH2+]CCN1CCCOCC1)c1cc(Cl)ccc1O ZINC000903227313 635017114 /nfs/dbraw/zinc/01/71/14/635017114.db2.gz LIOFMTPDDFDGES-LBPRGKRZSA-N 1 0 298.814 2.419 20 10 CECDRO COc1cccc([C@H](C)[NH2+]Cc2cnn(CCF)c2)c1O ZINC000903273652 635040943 /nfs/dbraw/zinc/04/09/43/635040943.db2.gz BZSDMYYBKYPUSN-NSHDSACASA-N 1 0 293.342 2.418 20 10 CECDRO CC[C@H](CN1CCOCC1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000903342010 635069469 /nfs/dbraw/zinc/06/94/69/635069469.db2.gz AREQRFXZVABMNJ-CABCVRRESA-N 1 0 290.407 2.080 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H]3COC[C@@H]3C)CC2)cc1 ZINC000903394373 635090382 /nfs/dbraw/zinc/09/03/82/635090382.db2.gz AYNUBICSGGMUIH-SUMWQHHRSA-N 1 0 290.407 2.289 20 10 CECDRO CCN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)c1ccc(OC)cc1 ZINC000903722699 635235685 /nfs/dbraw/zinc/23/56/85/635235685.db2.gz DFYODSGTVJVONL-DLBZAZTESA-N 1 0 290.407 2.290 20 10 CECDRO CC(C)(C)[NH2+]CCC(=O)NCc1cc(Cl)ccc1O ZINC000823986044 635317998 /nfs/dbraw/zinc/31/79/98/635317998.db2.gz FBQCVBGDWRDQOM-UHFFFAOYSA-N 1 0 284.787 2.440 20 10 CECDRO CCN(CC)c1ccc(CN[C@@H]2C[NH2+]C[C@H]2C)cc1F ZINC000903960719 635370650 /nfs/dbraw/zinc/37/06/50/635370650.db2.gz WEFPRRHZDMGYBO-IUODEOHRSA-N 1 0 279.403 2.369 20 10 CECDRO COc1cc(C[N@H+](C)CCO)c(O)c(C(C)(C)C)c1 ZINC000824484712 635435087 /nfs/dbraw/zinc/43/50/87/635435087.db2.gz RHUXWOGSFSNWRW-UHFFFAOYSA-N 1 0 267.369 2.122 20 10 CECDRO COc1cc(C[N@@H+]2CC[C@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000824567731 635452952 /nfs/dbraw/zinc/45/29/52/635452952.db2.gz VELOZVSQRNVHTR-LBPRGKRZSA-N 1 0 279.380 2.265 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CCOC2(C)C)cc1OC ZINC000824626347 635465054 /nfs/dbraw/zinc/46/50/54/635465054.db2.gz XHVAGYOJMDYTAX-CQSZACIVSA-N 1 0 281.352 2.067 20 10 CECDRO Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1O ZINC000824653940 635470731 /nfs/dbraw/zinc/47/07/31/635470731.db2.gz JSDVBNNLCRPBMJ-ARFHVFGLSA-N 1 0 291.391 2.062 20 10 CECDRO COc1cc(O)c(C[N@H+]2CC[C@H](OC)[C@H](C)C2)cc1OC ZINC000824815318 635503566 /nfs/dbraw/zinc/50/35/66/635503566.db2.gz LRHBUMJNLOWLKT-RISCZKNCSA-N 1 0 295.379 2.266 20 10 CECDRO CO[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@@H]1C ZINC000824815475 635504851 /nfs/dbraw/zinc/50/48/51/635504851.db2.gz QJLCUNZDLJELPH-HZMBPMFUSA-N 1 0 253.317 2.388 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)c1 ZINC000825045563 635548326 /nfs/dbraw/zinc/54/83/26/635548326.db2.gz HBNFKRPAMFZQTD-RYUDHWBXSA-N 1 0 289.379 2.416 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)c1 ZINC000825045561 635548749 /nfs/dbraw/zinc/54/87/49/635548749.db2.gz HBNFKRPAMFZQTD-NEPJUHHUSA-N 1 0 289.379 2.416 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@]3(CCOC3)C1)OCO2 ZINC000825134037 635575800 /nfs/dbraw/zinc/57/58/00/635575800.db2.gz SYAOGJGBUXVXPE-INIZCTEOSA-N 1 0 291.347 2.123 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@@H]2CO)ccc1OC ZINC000825182845 635587303 /nfs/dbraw/zinc/58/73/03/635587303.db2.gz CFDMQCJDANDJAX-GDBMZVCRSA-N 1 0 293.407 2.482 20 10 CECDRO COC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000825294569 635608137 /nfs/dbraw/zinc/60/81/37/635608137.db2.gz UCNJHWXRTOYZME-CYBMUJFWSA-N 1 0 295.379 2.410 20 10 CECDRO OCCC[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000825338323 635619864 /nfs/dbraw/zinc/61/98/64/635619864.db2.gz OKTFHVSACKGVIC-LLVKDONJSA-N 1 0 253.317 2.126 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000825341778 635621145 /nfs/dbraw/zinc/62/11/45/635621145.db2.gz RUIMRKNHNUWRON-GFCCVEGCSA-N 1 0 296.798 2.455 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@H]2CN(C)CCO2)cc1Cl ZINC000825357522 635624875 /nfs/dbraw/zinc/62/48/75/635624875.db2.gz GJJADXAFSATVMF-XHDPSFHLSA-N 1 0 298.814 2.163 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC(C)(C)CO)cc1Cl ZINC000825375328 635627033 /nfs/dbraw/zinc/62/70/33/635627033.db2.gz LKTHXMYVCOPLMV-UHFFFAOYSA-N 1 0 257.761 2.462 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000826020705 635747267 /nfs/dbraw/zinc/74/72/67/635747267.db2.gz WYQXXMWUWIGVKB-ZIAGYGMSSA-N 1 0 291.439 2.475 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826049758 635752940 /nfs/dbraw/zinc/75/29/40/635752940.db2.gz ZDNOVWBMEJUTRP-IAQYHMDHSA-N 1 0 299.798 2.495 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000826139991 635765816 /nfs/dbraw/zinc/76/58/16/635765816.db2.gz UNEQYSHNWKVWBA-UHFFFAOYSA-N 1 0 277.755 2.478 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@@]2(O)CCCOC2)cc1Cl ZINC000826142440 635765968 /nfs/dbraw/zinc/76/59/68/635765968.db2.gz CFJRTJUUWUZKTE-HNNXBMFYSA-N 1 0 299.798 2.375 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CO[C@H](C)C2)c1 ZINC000842775292 635775406 /nfs/dbraw/zinc/77/54/06/635775406.db2.gz LYAJEGROQJHUSB-PWSUYJOCSA-N 1 0 251.326 2.058 20 10 CECDRO CN(C)c1ccc(CNC(=[NH2+])NC[C@H]2CCCS2)cc1 ZINC000905041375 635783311 /nfs/dbraw/zinc/78/33/11/635783311.db2.gz HXFXFEBUHQGDIE-CQSZACIVSA-N 1 0 292.452 2.262 20 10 CECDRO O=C1OCCN1[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000826995681 636182829 /nfs/dbraw/zinc/18/28/29/636182829.db2.gz ZDVGYYNVRXUWFK-LBPRGKRZSA-N 1 0 296.754 2.072 20 10 CECDRO [NH3+][C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000827004800 636186245 /nfs/dbraw/zinc/18/62/45/636186245.db2.gz OOISBJXWUDJPGB-MRXNPFEDSA-N 1 0 287.407 2.030 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000827366628 636305872 /nfs/dbraw/zinc/30/58/72/636305872.db2.gz XWONNYHTNPAVLA-HOTGVXAUSA-N 1 0 274.408 2.454 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]C2([C@H](C)O)CC2)c1O ZINC000827585806 636359630 /nfs/dbraw/zinc/35/96/30/636359630.db2.gz QOEWUKZOLWUIHT-VIFPVBQESA-N 1 0 255.745 2.357 20 10 CECDRO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000827680947 636388015 /nfs/dbraw/zinc/38/80/15/636388015.db2.gz RKEIMURZKRFTHG-GFCCVEGCSA-N 1 0 294.370 2.268 20 10 CECDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000827812577 636430679 /nfs/dbraw/zinc/43/06/79/636430679.db2.gz QOJMJVVESJHVGW-KYZUINATSA-N 1 0 269.728 2.087 20 10 CECDRO O=CN1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000827867244 636446537 /nfs/dbraw/zinc/44/65/37/636446537.db2.gz DRQBCFOBYZGZQG-UHFFFAOYSA-N 1 0 284.359 2.210 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000828144361 636521487 /nfs/dbraw/zinc/52/14/87/636521487.db2.gz DAECABJXORRNFX-JSGCOSHPSA-N 1 0 276.380 2.129 20 10 CECDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Cc1ccc(N)cc1 ZINC000828949825 636734263 /nfs/dbraw/zinc/73/42/63/636734263.db2.gz PGIUNBNZASISHE-ZIAGYGMSSA-N 1 0 289.423 2.190 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000876541772 650313834 /nfs/dbraw/zinc/31/38/34/650313834.db2.gz DRXTWSHGRYTPIB-UHFFFAOYSA-N 1 0 276.380 2.001 20 10 CECDRO CCC1(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)CCC1 ZINC000832266845 637529054 /nfs/dbraw/zinc/52/90/54/637529054.db2.gz JQBYGJLSAJDZDR-HNNXBMFYSA-N 1 0 289.423 2.449 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2CCC2)cc1 ZINC000832267092 637529254 /nfs/dbraw/zinc/52/92/54/637529254.db2.gz MVOVYFHYFBFSQN-HNNXBMFYSA-N 1 0 275.396 2.059 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCOC[C@H]1CCOC1)CC2 ZINC000834578564 637876863 /nfs/dbraw/zinc/87/68/63/637876863.db2.gz UWSVPAVFYQBSEI-GXTWGEPZSA-N 1 0 277.364 2.022 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCCNc1ncccn1)CC2 ZINC000834615664 637890950 /nfs/dbraw/zinc/89/09/50/637890950.db2.gz GZMOANZENVVPEP-ZDUSSCGKSA-N 1 0 284.363 2.261 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCCNc1ncccn1)CC2 ZINC000834615662 637891240 /nfs/dbraw/zinc/89/12/40/637891240.db2.gz GZMOANZENVVPEP-CYBMUJFWSA-N 1 0 284.363 2.261 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@]3(CCOC3)C1)CC2 ZINC000834697448 637922501 /nfs/dbraw/zinc/92/25/01/637922501.db2.gz LHVOACUKANUMHX-CKEIUWERSA-N 1 0 289.375 2.307 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000834844824 637968808 /nfs/dbraw/zinc/96/88/08/637968808.db2.gz VFYALTFXQBHYFH-KNHMANMVSA-N 1 0 297.370 2.457 20 10 CECDRO CCN1C[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1=O ZINC000834892231 637980104 /nfs/dbraw/zinc/98/01/04/637980104.db2.gz UQVITIHEEFPJFF-QWHCGFSZSA-N 1 0 276.380 2.280 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC)C2)cc1 ZINC000834892464 637980264 /nfs/dbraw/zinc/98/02/64/637980264.db2.gz VLDAIOJPGWQWFU-HIFRSBDPSA-N 1 0 289.423 2.414 20 10 CECDRO C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)c2c1c(F)ccc2O ZINC000834904636 637982489 /nfs/dbraw/zinc/98/24/89/637982489.db2.gz ANMUZPOEPFPZJQ-WYOJIJJFSA-N 1 0 251.301 2.193 20 10 CECDRO CC[C@@H]([NH2+][C@H](CC)c1ccc(N(C)C)cc1)C(=O)NC ZINC000834910050 637984805 /nfs/dbraw/zinc/98/48/05/637984805.db2.gz CJEABLVJYSKKIE-HUUCEWRRSA-N 1 0 277.412 2.318 20 10 CECDRO CC[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(C)cc1O ZINC000834907812 637984972 /nfs/dbraw/zinc/98/49/72/637984972.db2.gz CVBYVDLLCXIJSM-CJNGLKHVSA-N 1 0 276.380 2.410 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c(O)c1 ZINC000834910397 637986320 /nfs/dbraw/zinc/98/63/20/637986320.db2.gz WTMYTROICJGWRQ-XHDPSFHLSA-N 1 0 262.353 2.020 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CCCC[C@H]2C(N)=O)cc1 ZINC000835025332 638028748 /nfs/dbraw/zinc/02/87/48/638028748.db2.gz IFEPDFICNVNFII-JFDDCEBESA-N 1 0 287.407 2.106 20 10 CECDRO C[C@H](O)CC[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835030743 638032264 /nfs/dbraw/zinc/03/22/64/638032264.db2.gz YSYUPFIPLVKYKR-GJBLVYBDSA-N 1 0 262.397 2.469 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C2CCN(C)CC2)cc1 ZINC000835033126 638032315 /nfs/dbraw/zinc/03/23/15/638032315.db2.gz CPYHGZYQBDBAED-PLNGDYQASA-N 1 0 273.424 2.450 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H](CO)C2CC2)cc1 ZINC000835039335 638034008 /nfs/dbraw/zinc/03/40/08/638034008.db2.gz DIKSSRWORDNBSI-QDLOVBKTSA-N 1 0 260.381 2.126 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(C)COC2)cc1 ZINC000835038635 638034148 /nfs/dbraw/zinc/03/41/48/638034148.db2.gz CDWHWBUZRKTDQZ-SNAWJCMRSA-N 1 0 260.381 2.392 20 10 CECDRO COC[C@H](C[NH2+]C/C=C\c1ccc(N(C)C)cc1)OC ZINC000835046986 638037828 /nfs/dbraw/zinc/03/78/28/638037828.db2.gz BGJQTKKBNPKEOP-KJPDOMRESA-N 1 0 278.396 2.017 20 10 CECDRO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)[C@@H](C)CO ZINC000835055616 638042565 /nfs/dbraw/zinc/04/25/65/638042565.db2.gz LQIMVVCTEDLFGQ-UZYOAWRESA-N 1 0 262.397 2.469 20 10 CECDRO C[C@]1(C[NH2+]Cc2ccc3ccccc3c2O)CCC(=O)N1 ZINC000835061373 638044811 /nfs/dbraw/zinc/04/48/11/638044811.db2.gz RXFKOQPYRRNGGC-QGZVFWFLSA-N 1 0 284.359 2.304 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@H](C)O2)c1 ZINC000835085999 638055644 /nfs/dbraw/zinc/05/56/44/638055644.db2.gz AROJBTZSVPZLIT-FZMZJTMJSA-N 1 0 265.353 2.448 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000876678215 650395140 /nfs/dbraw/zinc/39/51/40/650395140.db2.gz IPIJEKMTCPZWAG-ZDUSSCGKSA-N 1 0 277.364 2.286 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCOCC1CC1 ZINC000224524682 639453597 /nfs/dbraw/zinc/45/35/97/639453597.db2.gz HZXUHTUASABNKG-UHFFFAOYSA-N 1 0 290.407 2.039 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H]2CCCNC(=O)C2)cc1 ZINC000876944461 650499438 /nfs/dbraw/zinc/49/94/38/650499438.db2.gz LUHFGZJJBOHDJG-HNNXBMFYSA-N 1 0 289.423 2.291 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)[NH+](C)C ZINC000840557580 639492148 /nfs/dbraw/zinc/49/21/48/639492148.db2.gz RLCYDGWMOKCEPN-KGLIPLIRSA-N 1 0 291.439 2.058 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CCCCS1)OCO2 ZINC000157997520 639558948 /nfs/dbraw/zinc/55/89/48/639558948.db2.gz FILDRQRUEZVMNG-LLVKDONJSA-N 1 0 281.377 2.496 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)N(C)C)c(Cl)c1 ZINC000840889518 639573568 /nfs/dbraw/zinc/57/35/68/639573568.db2.gz HFDIOTMERNDMQS-SNVBAGLBSA-N 1 0 256.777 2.394 20 10 CECDRO Cc1cc(O)c(CN2CC[NH2+][C@@H](C)C2)c(Cl)c1 ZINC000840908970 639582618 /nfs/dbraw/zinc/58/26/18/639582618.db2.gz ZRGVKZNETNYLCC-JTQLQIEISA-N 1 0 254.761 2.148 20 10 CECDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840910040 639582670 /nfs/dbraw/zinc/58/26/70/639582670.db2.gz DOMGKQDOLHJHOG-CYBMUJFWSA-N 1 0 278.396 2.302 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CC(C)(C)O ZINC000840914598 639584413 /nfs/dbraw/zinc/58/44/13/639584413.db2.gz CWEBSAISWKDMFV-UHFFFAOYSA-N 1 0 250.386 2.264 20 10 CECDRO CC[C@@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933235 639590169 /nfs/dbraw/zinc/59/01/69/639590169.db2.gz FXXCGIVLEFERDH-AWEZNQCLSA-N 1 0 250.386 2.312 20 10 CECDRO Cc1cc(O)c(C[NH2+]Cc2cncn2C)c(Cl)c1 ZINC000840947671 639598002 /nfs/dbraw/zinc/59/80/02/639598002.db2.gz ZNBGICISNIXTET-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO CO[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000227828898 639606419 /nfs/dbraw/zinc/60/64/19/639606419.db2.gz UEZUFNSCRTZZPT-KBPBESRZSA-N 1 0 279.336 2.024 20 10 CECDRO CCCC[C@H](CN)[NH2+]Cc1ccc(OCC)cc1O ZINC000841028373 639621493 /nfs/dbraw/zinc/62/14/93/639621493.db2.gz CJRQXIAWJKNRRW-CYBMUJFWSA-N 1 0 266.385 2.398 20 10 CECDRO CCCC[C@H](CN)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000841029758 639622896 /nfs/dbraw/zinc/62/28/96/639622896.db2.gz RTSPUPXGBSBOLF-GFCCVEGCSA-N 1 0 282.384 2.017 20 10 CECDRO Cc1cc(Br)cc(CNC[C@H]2CCC[NH2+]2)c1O ZINC000841034453 639626281 /nfs/dbraw/zinc/62/62/81/639626281.db2.gz CMRLFKYJOYGUBD-GFCCVEGCSA-N 1 0 299.212 2.305 20 10 CECDRO C[NH2+]CCNCc1ccc(OCc2ccccc2)cc1O ZINC000841036736 639627490 /nfs/dbraw/zinc/62/74/90/639627490.db2.gz STTXYZKLJCGSLZ-UHFFFAOYSA-N 1 0 286.375 2.280 20 10 CECDRO CC[NH2+]CCNCc1ccc(N(CC)CC)c(F)c1 ZINC000841038238 639629030 /nfs/dbraw/zinc/62/90/30/639629030.db2.gz YFZZRNGGNACCMF-UHFFFAOYSA-N 1 0 267.392 2.371 20 10 CECDRO COc1ccc(O)c(CNc2ccc(OCC[NH3+])cc2)c1 ZINC000841053995 639634770 /nfs/dbraw/zinc/63/47/70/639634770.db2.gz FHFMVXDADCFDMD-UHFFFAOYSA-N 1 0 288.347 2.350 20 10 CECDRO C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841065231 639641389 /nfs/dbraw/zinc/64/13/89/639641389.db2.gz ZFOQCLZYMSMPLK-SKDRFNHKSA-N 1 0 254.761 2.133 20 10 CECDRO Cc1cc(O)c(CNC[C@@H]2C[C@H](F)C[NH2+]2)c(Cl)c1 ZINC000841079217 639648374 /nfs/dbraw/zinc/64/83/74/639648374.db2.gz NFXITQGKAOADLW-UWVGGRQHSA-N 1 0 272.751 2.144 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C2(CO)CCCC2)c1O ZINC000228677534 639652831 /nfs/dbraw/zinc/65/28/31/639652831.db2.gz HQFIHMDJNJVAHG-UHFFFAOYSA-N 1 0 285.771 2.449 20 10 CECDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000228943733 639665314 /nfs/dbraw/zinc/66/53/14/639665314.db2.gz YLCIWZVHQKIAKW-UWVGGRQHSA-N 1 0 268.332 2.095 20 10 CECDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299656 639731671 /nfs/dbraw/zinc/73/16/71/639731671.db2.gz HKYOMQNUDRFSNB-AWEZNQCLSA-N 1 0 276.384 2.263 20 10 CECDRO COc1cccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c1O ZINC000230670215 639778405 /nfs/dbraw/zinc/77/84/05/639778405.db2.gz HFHPMVXHSOALPS-WCQYABFASA-N 1 0 265.353 2.042 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCOC2)c1 ZINC000230672496 639778552 /nfs/dbraw/zinc/77/85/52/639778552.db2.gz AWKNSDHXVJRQOJ-NEPJUHHUSA-N 1 0 265.353 2.478 20 10 CECDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000230688142 639781679 /nfs/dbraw/zinc/78/16/79/639781679.db2.gz BMZSXGINGPUOIF-QGZVFWFLSA-N 1 0 292.423 2.020 20 10 CECDRO C[C@H]([NH2+]CCc1ccn(C)n1)c1ccc(N(C)C)cc1 ZINC000230898446 639804805 /nfs/dbraw/zinc/80/48/05/639804805.db2.gz FHSRXIRGMOEOEO-ZDUSSCGKSA-N 1 0 272.396 2.379 20 10 CECDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000063191470 639837307 /nfs/dbraw/zinc/83/73/07/639837307.db2.gz SRSSVXUOTVFAAC-BBRMVZONSA-N 1 0 261.413 2.454 20 10 CECDRO COC[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1O)OC ZINC000841755004 639857773 /nfs/dbraw/zinc/85/77/73/639857773.db2.gz XHTWKQXWUULLOT-ONGXEEELSA-N 1 0 273.760 2.358 20 10 CECDRO COC[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)OC ZINC000841755001 639858983 /nfs/dbraw/zinc/85/89/83/639858983.db2.gz XHTWKQXWUULLOT-KOLCDFICSA-N 1 0 273.760 2.358 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccccc1O ZINC000841765335 639861515 /nfs/dbraw/zinc/86/15/15/639861515.db2.gz PPCSOUJHDPBDCQ-GHMZBOCLSA-N 1 0 270.323 2.382 20 10 CECDRO Cc1ccc(C[NH2+][C@H](CO)Cc2ccccc2)c(O)c1 ZINC000877036733 650542281 /nfs/dbraw/zinc/54/22/81/650542281.db2.gz ICEZCZHWKKXMLU-INIZCTEOSA-N 1 0 271.360 2.394 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c(O)c1 ZINC000877049538 650548188 /nfs/dbraw/zinc/54/81/88/650548188.db2.gz GRFFXTQBOZMGMA-ZIAGYGMSSA-N 1 0 297.420 2.146 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000842614732 640119240 /nfs/dbraw/zinc/11/92/40/640119240.db2.gz CSGBIBUDUACTHX-OAHLLOKOSA-N 1 0 298.390 2.485 20 10 CECDRO CC[N@H+](CCSC)Cc1cc2c(cc1O)OCO2 ZINC000842644298 640132531 /nfs/dbraw/zinc/13/25/31/640132531.db2.gz LPTXVMMAMRERLS-UHFFFAOYSA-N 1 0 269.366 2.306 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)CO1 ZINC000842674395 640145722 /nfs/dbraw/zinc/14/57/22/640145722.db2.gz ZYNOVGDNSLDXIS-CMPLNLGQSA-N 1 0 252.333 2.159 20 10 CECDRO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1=O ZINC000842882266 640211442 /nfs/dbraw/zinc/21/14/42/640211442.db2.gz PPJFXOYLJKDBQV-STQMWFEESA-N 1 0 288.391 2.369 20 10 CECDRO CCN(CC)c1ccc(CN2CC[NH2+]C[C@@H]2C)cc1F ZINC000843046914 640250982 /nfs/dbraw/zinc/25/09/82/640250982.db2.gz DRCWDJXWPLBCMD-ZDUSSCGKSA-N 1 0 279.403 2.466 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000843120253 640289585 /nfs/dbraw/zinc/28/95/85/640289585.db2.gz BGFUFSREWFNVHS-MRXNPFEDSA-N 1 0 277.387 2.077 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000877093080 650568776 /nfs/dbraw/zinc/56/87/76/650568776.db2.gz NNTNQJPJDYCABQ-ZDUSSCGKSA-N 1 0 275.348 2.234 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2CCOCC(F)F ZINC000843350937 640399806 /nfs/dbraw/zinc/39/98/06/640399806.db2.gz YDWQKCNSOZOSEX-UHFFFAOYSA-N 1 0 270.323 2.180 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843353953 640400671 /nfs/dbraw/zinc/40/06/71/640400671.db2.gz RUQGEWPQYLFFLR-JQWIXIFHSA-N 1 0 294.370 2.293 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1F ZINC000914433420 640404659 /nfs/dbraw/zinc/40/46/59/640404659.db2.gz PANOEUPOHKGSHV-ZFWWWQNUSA-N 1 0 278.371 2.406 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000843417540 640421888 /nfs/dbraw/zinc/42/18/88/640421888.db2.gz HOZCWMXPRBGNFJ-HNNXBMFYSA-N 1 0 295.404 2.109 20 10 CECDRO COc1cccc(C[N@@H+]2CCOC[C@H]2C2CCC2)c1O ZINC000843429425 640427886 /nfs/dbraw/zinc/42/78/86/640427886.db2.gz VIYSUMQDVSWCJE-AWEZNQCLSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000877132449 650588185 /nfs/dbraw/zinc/58/81/85/650588185.db2.gz DTTHGRSOIUTWER-ZDUSSCGKSA-N 1 0 277.364 2.476 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CCSC)cc1 ZINC000844399769 640708198 /nfs/dbraw/zinc/70/81/98/640708198.db2.gz OHRKFOALLGLDOX-UHFFFAOYSA-N 1 0 268.426 2.426 20 10 CECDRO CC(=O)N1CC[N@H+](Cc2ccc(C)cc2O)C(C)(C)C1 ZINC000877171600 650609387 /nfs/dbraw/zinc/60/93/87/650609387.db2.gz CQYVEBQZUZVUEY-UHFFFAOYSA-N 1 0 276.380 2.143 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])[C@@H]1CC[NH3+] ZINC000844901209 640860245 /nfs/dbraw/zinc/86/02/45/640860245.db2.gz FZCVMLSBEXUJPN-BXUZGUMPSA-N 1 0 266.360 2.481 20 10 CECDRO CCN1C[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C)CC1=O ZINC000846096282 641179762 /nfs/dbraw/zinc/17/97/62/641179762.db2.gz GANIVPAWKSHRTH-AWEZNQCLSA-N 1 0 289.423 2.019 20 10 CECDRO CCN1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2O)CC1=O ZINC000846095700 641179776 /nfs/dbraw/zinc/17/97/76/641179776.db2.gz ZHOQUVFRDLERCA-SNVBAGLBSA-N 1 0 282.771 2.004 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)c2ccco2)c1O ZINC000846139737 641198027 /nfs/dbraw/zinc/19/80/27/641198027.db2.gz YNJWPJCJQUAHHA-JQWIXIFHSA-N 1 0 277.320 2.378 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1O ZINC000846142282 641198759 /nfs/dbraw/zinc/19/87/59/641198759.db2.gz ZUFFCEQQIGNDMV-SMDDNHRTSA-N 1 0 278.396 2.392 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)COCC(C)C)c1O ZINC000846142124 641199075 /nfs/dbraw/zinc/19/90/75/641199075.db2.gz CADSAINHINDQOW-OLZOCXBDSA-N 1 0 297.395 2.085 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)COCC(C)C)c1O ZINC000846142126 641199270 /nfs/dbraw/zinc/19/92/70/641199270.db2.gz CADSAINHINDQOW-STQMWFEESA-N 1 0 297.395 2.085 20 10 CECDRO CCC[C@H](O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846142549 641199465 /nfs/dbraw/zinc/19/94/65/641199465.db2.gz ARFPAZMPILBKDD-MNOVXSKESA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)CC(C)C)c1O ZINC000846144682 641200578 /nfs/dbraw/zinc/20/05/78/641200578.db2.gz MYEKIHWVRUWVQJ-NWDGAFQWSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCN(C)C(C)C)c1O ZINC000846144291 641200614 /nfs/dbraw/zinc/20/06/14/641200614.db2.gz IQHWSHYLFCHGIA-GFCCVEGCSA-N 1 0 266.385 2.392 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](C)[C@H](CO)SC)c1O ZINC000846144732 641200804 /nfs/dbraw/zinc/20/08/04/641200804.db2.gz LWOROYHUDVINPI-KWBADKCTSA-N 1 0 285.409 2.164 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCC(C)(C)O)c1O ZINC000846162221 641207148 /nfs/dbraw/zinc/20/71/48/641207148.db2.gz CBLVULGHJFWIFB-SNVBAGLBSA-N 1 0 253.342 2.212 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CCN2CCCC2=O)c2c1c(F)ccc2O ZINC000846205119 641220175 /nfs/dbraw/zinc/22/01/75/641220175.db2.gz FAVAIJPBWWLUNQ-ZYHUDNBSSA-N 1 0 292.354 2.292 20 10 CECDRO CCN1C[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2O)CC1=O ZINC000846207828 641222241 /nfs/dbraw/zinc/22/22/41/641222241.db2.gz GHOOPGDEBHWPOF-STQMWFEESA-N 1 0 276.380 2.220 20 10 CECDRO C[C@H]([NH2+][C@@H](CO)CCF)c1cc(Cl)ccc1O ZINC000846209844 641222679 /nfs/dbraw/zinc/22/26/79/641222679.db2.gz VUJDFTVEQAMKDZ-WCBMZHEXSA-N 1 0 261.724 2.417 20 10 CECDRO CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000877256234 650644321 /nfs/dbraw/zinc/64/43/21/650644321.db2.gz PYLOIQRDNCWWEL-YPMHNXCESA-N 1 0 264.369 2.333 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2C=CCC2)cc1 ZINC000846663220 641380038 /nfs/dbraw/zinc/38/00/38/641380038.db2.gz FLMUAXFLGOJJOF-CZUORRHYSA-N 1 0 287.407 2.225 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@H]([NH3+])C[C@@H]2C)c1O ZINC000846707863 641404303 /nfs/dbraw/zinc/40/43/03/641404303.db2.gz ZRNNCBRWFJIJLB-ZANVPECISA-N 1 0 280.343 2.046 20 10 CECDRO Cn1cncc1CCC[N@H+](C)Cc1ccccc1O ZINC000846826157 641441093 /nfs/dbraw/zinc/44/10/93/641441093.db2.gz ZXDOQTKIHBVVNI-UHFFFAOYSA-N 1 0 259.353 2.190 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCc2cncn2C)c1 ZINC000846844928 641450832 /nfs/dbraw/zinc/45/08/32/641450832.db2.gz RNYLJNHFIGKLOS-GFCCVEGCSA-N 1 0 289.379 2.418 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCCCC[C@H]2CO)cc1 ZINC000847014461 641520995 /nfs/dbraw/zinc/52/09/95/641520995.db2.gz JOHXXSWFTJHYCE-INIZCTEOSA-N 1 0 262.397 2.490 20 10 CECDRO C[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)[C@H]1C[NH3+] ZINC000252173565 641575828 /nfs/dbraw/zinc/57/58/28/641575828.db2.gz OMHOTDWAVXAHRA-CJNGLKHVSA-N 1 0 261.413 2.312 20 10 CECDRO CO[C@@H](CN(C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000877342491 650680448 /nfs/dbraw/zinc/68/04/48/650680448.db2.gz NRXYLIMMSCXXGV-KRWDZBQOSA-N 1 0 292.423 2.488 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CC(=O)NCc2ccccc2)c1 ZINC000071408178 641762852 /nfs/dbraw/zinc/76/28/52/641762852.db2.gz BZPXVUTXWFKNSC-UHFFFAOYSA-N 1 0 284.359 2.107 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c1 ZINC000185777082 642027898 /nfs/dbraw/zinc/02/78/98/642027898.db2.gz IATOOUWEXZQOHM-XJKSGUPXSA-N 1 0 279.380 2.140 20 10 CECDRO CC(=O)N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921502540 642035002 /nfs/dbraw/zinc/03/50/02/642035002.db2.gz TZWLVXTYIFMZJO-UHFFFAOYSA-N 1 0 288.391 2.112 20 10 CECDRO Cc1ccc(C[NH+]2CCC(Cn3cncn3)CC2)c(O)c1 ZINC000877430798 650717360 /nfs/dbraw/zinc/71/73/60/650717360.db2.gz RIZYDHKVCBEZHC-UHFFFAOYSA-N 1 0 286.379 2.204 20 10 CECDRO Nc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848594370 642071910 /nfs/dbraw/zinc/07/19/10/642071910.db2.gz JZRLPTXAOKWIOV-CABCVRRESA-N 1 0 288.395 2.407 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000083445677 642071831 /nfs/dbraw/zinc/07/18/31/642071831.db2.gz DAZLYYQZOURPFP-OAHLLOKOSA-N 1 0 261.296 2.355 20 10 CECDRO CCc1cccc(C[N@H+](C)CCn2cccn2)c1O ZINC000848885213 642170585 /nfs/dbraw/zinc/17/05/85/642170585.db2.gz RHLWUCUAXMNIGL-UHFFFAOYSA-N 1 0 259.353 2.283 20 10 CECDRO CCc1cccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1O ZINC000848889026 642173205 /nfs/dbraw/zinc/17/32/05/642173205.db2.gz GAWKMVMEQVPWLD-GFCCVEGCSA-N 1 0 276.380 2.042 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](O)c2ccco2)c1O ZINC000848892573 642174721 /nfs/dbraw/zinc/17/47/21/642174721.db2.gz ATYGCXIAKFMKFP-CYBMUJFWSA-N 1 0 261.321 2.371 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)c1O ZINC000848897684 642176767 /nfs/dbraw/zinc/17/67/67/642176767.db2.gz SNFGTDKNLAHRDA-JSGCOSHPSA-N 1 0 276.380 2.088 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1O ZINC000848896553 642177223 /nfs/dbraw/zinc/17/72/23/642177223.db2.gz CPJZNCXKSYIDQP-CQSZACIVSA-N 1 0 276.380 2.054 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](OCCOC)C2)c1O ZINC000848905792 642182641 /nfs/dbraw/zinc/18/26/41/642182641.db2.gz ODTVJXKDWLAEIN-HNNXBMFYSA-N 1 0 279.380 2.192 20 10 CECDRO CCc1cccc(C[N@H+]2CCN(CC)C[C@@H]2C)c1O ZINC000848910754 642185849 /nfs/dbraw/zinc/18/58/49/642185849.db2.gz PNOXNHQZUXEYRO-ZDUSSCGKSA-N 1 0 262.397 2.481 20 10 CECDRO COc1cccc(C[NH2+]Cc2cc3n(n2)CCCC3)c1O ZINC000848911092 642186654 /nfs/dbraw/zinc/18/66/54/642186654.db2.gz PNTGDNGGCRAVBN-UHFFFAOYSA-N 1 0 287.363 2.223 20 10 CECDRO CCc1cccc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1O ZINC000848911954 642186683 /nfs/dbraw/zinc/18/66/83/642186683.db2.gz ZVHMURBJKCDFMA-QGZVFWFLSA-N 1 0 291.391 2.336 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000848914351 642188775 /nfs/dbraw/zinc/18/87/75/642188775.db2.gz IBEBOBUKRCEBOM-CABCVRRESA-N 1 0 288.391 2.198 20 10 CECDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C)cc1O ZINC000877464725 650731682 /nfs/dbraw/zinc/73/16/82/650731682.db2.gz LPANPSLEPIQSPX-XPKDYRNWSA-N 1 0 289.375 2.474 20 10 CECDRO Nc1cccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000849350267 642340673 /nfs/dbraw/zinc/34/06/73/642340673.db2.gz MXAHUFKXHGWACK-UHFFFAOYSA-N 1 0 297.402 2.395 20 10 CECDRO CCn1cccc(C[NH2+]Cc2c(C)cccc2O)c1=O ZINC000877484577 650744849 /nfs/dbraw/zinc/74/48/49/650744849.db2.gz JIVZPKLDRPEMHO-UHFFFAOYSA-N 1 0 272.348 2.172 20 10 CECDRO CC[C@H]1C[N@H+](Cc2c(C)cccc2O)C[C@@]2(CCOC2)O1 ZINC000877492956 650749474 /nfs/dbraw/zinc/74/94/74/650749474.db2.gz YZTLYJKUPSGYEE-WMLDXEAASA-N 1 0 291.391 2.471 20 10 CECDRO Cc1ccc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c(O)c1 ZINC000877498324 650751257 /nfs/dbraw/zinc/75/12/57/650751257.db2.gz BRWHXFITYFPUJQ-GOSISDBHSA-N 1 0 299.370 2.461 20 10 CECDRO Cc1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)c(O)c1 ZINC000877526528 650767087 /nfs/dbraw/zinc/76/70/87/650767087.db2.gz JYQVIJKQXSMQBO-NSHDSACASA-N 1 0 263.259 2.104 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850099605 642578543 /nfs/dbraw/zinc/57/85/43/642578543.db2.gz PSUHUSOZUDXYKX-RAIGVLPGSA-N 1 0 294.370 2.179 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c(O)c1 ZINC000877537304 650774513 /nfs/dbraw/zinc/77/45/13/650774513.db2.gz KPTHPTKAZLGSIJ-PBHICJAKSA-N 1 0 285.343 2.285 20 10 CECDRO COc1cc(C[NH2+]C2(CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000850224227 642627093 /nfs/dbraw/zinc/62/70/93/642627093.db2.gz CMDKJWSICTXAPL-UHFFFAOYSA-N 1 0 279.380 2.313 20 10 CECDRO CO[C@H](C[NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CCOC1 ZINC000850344529 642674180 /nfs/dbraw/zinc/67/41/80/642674180.db2.gz LSQGPMCNULBLMC-QMTHXVAHSA-N 1 0 285.771 2.187 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(OC)cc3)C2)CO1 ZINC000850347109 642675165 /nfs/dbraw/zinc/67/51/65/642675165.db2.gz NNDHOFZHOAKYKM-OFQRWUPVSA-N 1 0 290.407 2.431 20 10 CECDRO CCOc1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)c(O)c1 ZINC000850365105 642683473 /nfs/dbraw/zinc/68/34/73/642683473.db2.gz BOONMNQSEJJOLA-CYBMUJFWSA-N 1 0 287.306 2.305 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1O ZINC000850388804 642695469 /nfs/dbraw/zinc/69/54/69/642695469.db2.gz PVKXGUVHNYLMQP-UONOGXRCSA-N 1 0 277.364 2.184 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H](CO)CC2CC2)c(O)c1 ZINC000850388333 642695750 /nfs/dbraw/zinc/69/57/50/642695750.db2.gz LGNQAVFCSBTWDA-CYBMUJFWSA-N 1 0 279.380 2.289 20 10 CECDRO CON(C)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000850479280 642725801 /nfs/dbraw/zinc/72/58/01/642725801.db2.gz PFJZLCZNAVNXKB-GXSJLCMTSA-N 1 0 268.332 2.162 20 10 CECDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)[C@H]1CCOC1 ZINC000850484400 642729049 /nfs/dbraw/zinc/72/90/49/642729049.db2.gz IIQHJWPFIYTGCI-HEHGZKQESA-N 1 0 279.380 2.403 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000850545386 642747082 /nfs/dbraw/zinc/74/70/82/642747082.db2.gz GSHPEMWNUDQMGT-NZVBXONLSA-N 1 0 277.364 2.355 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)cc1 ZINC000850547587 642748727 /nfs/dbraw/zinc/74/87/27/642748727.db2.gz UZLJRGOSDKZVHJ-JSGCOSHPSA-N 1 0 275.396 2.072 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2C[C@]2(C)OC)c1O ZINC000850570949 642755239 /nfs/dbraw/zinc/75/52/39/642755239.db2.gz KSYPCTBHWVDFJD-IUPBHXKESA-N 1 0 251.326 2.229 20 10 CECDRO C[N@H+](CC(=O)NC1CCCCC1)Cc1ccccc1O ZINC000109773425 642925804 /nfs/dbraw/zinc/92/58/04/642925804.db2.gz NMFZQEAVJNRJAP-UHFFFAOYSA-N 1 0 276.380 2.273 20 10 CECDRO C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000877584093 650800540 /nfs/dbraw/zinc/80/05/40/650800540.db2.gz CECGQNZWTTZSCR-LLVKDONJSA-N 1 0 284.350 2.492 20 10 CECDRO Cc1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c(O)c1 ZINC000877588860 650802512 /nfs/dbraw/zinc/80/25/12/650802512.db2.gz AQLYSZZXGZXKLZ-UHFFFAOYSA-N 1 0 285.409 2.004 20 10 CECDRO C[C@H]([NH2+]Cc1c2c(nn1C)CCC2)c1ccccc1O ZINC000922329259 643030569 /nfs/dbraw/zinc/03/05/69/643030569.db2.gz MPNLVZXWFOVPFC-NSHDSACASA-N 1 0 271.364 2.465 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CC(=O)N(C)C2)c(Cl)c1 ZINC000922484933 643091049 /nfs/dbraw/zinc/09/10/49/643091049.db2.gz RLECONVWDFDDIP-LLVKDONJSA-N 1 0 296.798 2.312 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000877629336 650822475 /nfs/dbraw/zinc/82/24/75/650822475.db2.gz TXMSDVDUXIKXGN-INIZCTEOSA-N 1 0 261.365 2.438 20 10 CECDRO COc1cccc(C[NH2+]C[C@]2(C)CCCCO2)c1O ZINC000922815291 643278764 /nfs/dbraw/zinc/27/87/64/643278764.db2.gz ADEJDPCKDIGQDT-HNNXBMFYSA-N 1 0 265.353 2.450 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000877658294 650838122 /nfs/dbraw/zinc/83/81/22/650838122.db2.gz WEKHRJDWLZXXAG-XJKSGUPXSA-N 1 0 261.365 2.295 20 10 CECDRO CCOCCOCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922945528 643471033 /nfs/dbraw/zinc/47/10/33/643471033.db2.gz SIHRCVQDVBNADI-UHFFFAOYSA-N 1 0 279.380 2.154 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)CCN(C)C(=O)OC)cc1 ZINC000852568401 643476152 /nfs/dbraw/zinc/47/61/52/643476152.db2.gz CQKKHNVHEFVXPB-UHFFFAOYSA-N 1 0 293.411 2.273 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2cncc(O)c2)cc1F ZINC000922975878 643485476 /nfs/dbraw/zinc/48/54/76/643485476.db2.gz MGCVRRDANOBRBA-UHFFFAOYSA-N 1 0 275.327 2.282 20 10 CECDRO c1cc(C[NH2+][C@]23C[C@H]2COC32CCC2)cc2c1OCC2 ZINC000923033101 643522645 /nfs/dbraw/zinc/52/26/45/643522645.db2.gz PSWDSPKFRCUSMT-WMLDXEAASA-N 1 0 271.360 2.423 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C[NH2+]C(C)C)cc1F ZINC000852804618 643558780 /nfs/dbraw/zinc/55/87/80/643558780.db2.gz DIZAHUJPWWVZQE-UHFFFAOYSA-N 1 0 295.402 2.286 20 10 CECDRO CC[C@@]1(O)CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000877690555 650852170 /nfs/dbraw/zinc/85/21/70/650852170.db2.gz ALOATJRTRLYHQP-OAHLLOKOSA-N 1 0 265.353 2.138 20 10 CECDRO COc1ccc(N2CCC([NH2+]CCOCCF)CC2)cc1 ZINC000853091449 643649166 /nfs/dbraw/zinc/64/91/66/643649166.db2.gz ISAVEZJDCHTLSP-UHFFFAOYSA-N 1 0 296.386 2.240 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2ccnn2CC)c1O ZINC000853093522 643650047 /nfs/dbraw/zinc/65/00/47/643650047.db2.gz MFCQEQAKYRNZMT-UHFFFAOYSA-N 1 0 275.352 2.297 20 10 CECDRO Cc1cc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)ccc1N(C)C ZINC000923398930 643696551 /nfs/dbraw/zinc/69/65/51/643696551.db2.gz OSHCPQQPELHNPU-RDJZCZTQSA-N 1 0 273.424 2.374 20 10 CECDRO COC(=O)NC1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000853626242 643835887 /nfs/dbraw/zinc/83/58/87/643835887.db2.gz QOWZHWVLQSEOLR-UHFFFAOYSA-N 1 0 292.379 2.329 20 10 CECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C2 ZINC000877722791 650870783 /nfs/dbraw/zinc/87/07/83/650870783.db2.gz JRNYCQHEQLCCCG-GMXABZIVSA-N 1 0 295.766 2.477 20 10 CECDRO COC(=O)C1CC([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000877724486 650872469 /nfs/dbraw/zinc/87/24/69/650872469.db2.gz WNCSTBSCBIDXKB-PLNGDYQASA-N 1 0 288.391 2.307 20 10 CECDRO COc1cccc(C[NH2+]CCOCC(F)(F)F)c1O ZINC000111607841 643907747 /nfs/dbraw/zinc/90/77/47/643907747.db2.gz PKDMRACCDKAVPB-UHFFFAOYSA-N 1 0 279.258 2.069 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH+]2CC(C(C)(C)O)C2)cc1 ZINC000839140132 644172016 /nfs/dbraw/zinc/17/20/16/644172016.db2.gz OGESFVZXVFXDOZ-AATRIKPKSA-N 1 0 274.408 2.469 20 10 CECDRO CN(C(=O)C1=CC(=O)CS1)C(C)(C)C[NH+]1CCCC1 ZINC000854959040 644215945 /nfs/dbraw/zinc/21/59/45/644215945.db2.gz ZMQOFXJSTHVKHW-UHFFFAOYSA-N 1 0 282.409 2.400 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000855286721 644293216 /nfs/dbraw/zinc/29/32/16/644293216.db2.gz WJODBGOKNOIVLZ-SECBINFHSA-N 1 0 268.382 2.056 20 10 CECDRO C[S@@](=O)c1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000754333399 644357665 /nfs/dbraw/zinc/35/76/65/644357665.db2.gz CZICCVXCCVEYSP-LJQANCHMSA-N 1 0 275.373 2.419 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCS1 ZINC000754872659 644444336 /nfs/dbraw/zinc/44/43/36/644444336.db2.gz OBGCQBJWNZYXLB-YGRLFVJLSA-N 1 0 295.404 2.145 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C2CC2)N(C)C)c1 ZINC000756433540 644648710 /nfs/dbraw/zinc/64/87/10/644648710.db2.gz PWWHHUMLOBZVFJ-ABAIWWIYSA-N 1 0 278.396 2.392 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cncn2)c(O)c1 ZINC000756489037 644654677 /nfs/dbraw/zinc/65/46/77/644654677.db2.gz OJJUOUMMLJBICW-VXGBXAGGSA-N 1 0 260.341 2.031 20 10 CECDRO CC[S@](=O)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756577950 644671504 /nfs/dbraw/zinc/67/15/04/644671504.db2.gz SYZQGSPMKMDOLZ-NWJBQHJCSA-N 1 0 285.384 2.438 20 10 CECDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C1=CC(=O)CS1 ZINC000856480770 644682305 /nfs/dbraw/zinc/68/23/05/644682305.db2.gz XMCJWJLHISZTII-LBPRGKRZSA-N 1 0 294.420 2.306 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c(O)c1C ZINC000756770262 644691707 /nfs/dbraw/zinc/69/17/07/644691707.db2.gz 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/nfs/dbraw/zinc/86/72/43/644867243.db2.gz VXGVUFKRMJDSLG-UHFFFAOYSA-N 1 0 296.386 2.177 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@H]2CCCN(C)C2)cc1F ZINC000858105386 645062244 /nfs/dbraw/zinc/06/22/44/645062244.db2.gz FXHPZXBFZUCTBE-LBPRGKRZSA-N 1 0 283.366 2.215 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1F ZINC000858136630 645072043 /nfs/dbraw/zinc/07/20/43/645072043.db2.gz WFPZFYKFESQYGI-HIFRSBDPSA-N 1 0 284.350 2.424 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@H](CCO)C2CC2)cc1F ZINC000858145190 645073949 /nfs/dbraw/zinc/07/39/49/645073949.db2.gz YUTVFHZXNBXVQC-AWEZNQCLSA-N 1 0 284.350 2.281 20 10 CECDRO CN(C)c1cc(F)c(CNC2CC([NH+](C)C)C2)cc1F ZINC000858185565 645082425 /nfs/dbraw/zinc/08/24/25/645082425.db2.gz XGJKCSVOCMEGSJ-UHFFFAOYSA-N 1 0 283.366 2.213 20 10 CECDRO CO[C@H](C)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858189747 645084945 /nfs/dbraw/zinc/08/49/45/645084945.db2.gz RJPFFTLALDDFFD-SECBINFHSA-N 1 0 258.312 2.155 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+](C)CC2(O)CCC2)c1O ZINC000759875624 645087168 /nfs/dbraw/zinc/08/71/68/645087168.db2.gz DPEQEWKDPZKCSK-UHFFFAOYSA-N 1 0 281.327 2.081 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cnn(C)c2Cl)c1 ZINC000858240038 645095877 /nfs/dbraw/zinc/09/58/77/645095877.db2.gz ZIXKAGMJNALQQX-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO CCc1ncc(C[NH2+]Cc2cc(C)ccc2O)cn1 ZINC000858239278 645095987 /nfs/dbraw/zinc/09/59/87/645095987.db2.gz KTOPHEDVNZLANH-UHFFFAOYSA-N 1 0 257.337 2.343 20 10 CECDRO COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cccc(OC)c2O)C1 ZINC000858470512 645171695 /nfs/dbraw/zinc/17/16/95/645171695.db2.gz IBRPVLGQRWAFIL-JQWIXIFHSA-N 1 0 291.347 2.313 20 10 CECDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)OC)c1ccc(C)cc1O ZINC000858586553 645213226 /nfs/dbraw/zinc/21/32/26/645213226.db2.gz FHVCGGWWPUGEFJ-YPMHNXCESA-N 1 0 280.368 2.150 20 10 CECDRO COc1cc(Cl)cc(C[N@H+](CCCO)C2CC2)c1O ZINC000761199431 645256298 /nfs/dbraw/zinc/25/62/98/645256298.db2.gz OHIXZFYFVLLLCL-UHFFFAOYSA-N 1 0 285.771 2.401 20 10 CECDRO C[N@H+](Cc1cc(Cl)ccc1O)CC1(O)CCC1 ZINC000761218314 645257966 /nfs/dbraw/zinc/25/79/66/645257966.db2.gz AIYRSJKYISQHRY-UHFFFAOYSA-N 1 0 255.745 2.392 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)CC(N)=O)cc1 ZINC000763399508 645541786 /nfs/dbraw/zinc/54/17/86/645541786.db2.gz WZJPSMYGUYLZDE-RYUDHWBXSA-N 1 0 263.385 2.057 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CCO)C2CCOCC2)cc1C ZINC000763467238 645549120 /nfs/dbraw/zinc/54/91/20/645549120.db2.gz QNDVUDVBNATNMV-MRXNPFEDSA-N 1 0 293.407 2.276 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1 ZINC000763481071 645549908 /nfs/dbraw/zinc/54/99/08/645549908.db2.gz QMSPZPJNNFBWQD-CYBMUJFWSA-N 1 0 285.343 2.363 20 10 CECDRO Cc1cccc(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)c1O ZINC000763491064 645550407 /nfs/dbraw/zinc/55/04/07/645550407.db2.gz MKLUAOLWNWGYEE-XIKOKIGWSA-N 1 0 267.394 2.044 20 10 CECDRO C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000765898622 645820124 /nfs/dbraw/zinc/82/01/24/645820124.db2.gz IPILAPGGFYNFKZ-HUUCEWRRSA-N 1 0 292.423 2.456 20 10 CECDRO COc1cccc(O)c1C[N@H+](CCO)Cc1ccccc1 ZINC000768142124 646089535 /nfs/dbraw/zinc/08/95/35/646089535.db2.gz IBDVZGVDQFFRTE-UHFFFAOYSA-N 1 0 287.359 2.395 20 10 CECDRO CCOc1ccc(C[N@H+](CC(N)=O)C2CCCC2)c(O)c1 ZINC000768256234 646101327 /nfs/dbraw/zinc/10/13/27/646101327.db2.gz ACQXCBVZOMRXGF-UHFFFAOYSA-N 1 0 292.379 2.021 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768442827 646122241 /nfs/dbraw/zinc/12/22/41/646122241.db2.gz ODVVUFKOQUTBIT-AWEZNQCLSA-N 1 0 289.375 2.266 20 10 CECDRO Cc1ccc(O)c(C[N@H+](C)Cc2cccc(C(N)=O)c2)c1 ZINC000768925252 646180772 /nfs/dbraw/zinc/18/07/72/646180772.db2.gz AIIHVEOPJJWUCZ-UHFFFAOYSA-N 1 0 284.359 2.432 20 10 CECDRO CN(C)c1ccc(C[N@H+](CCO)CC2CC2)cc1F ZINC000769108951 646207671 /nfs/dbraw/zinc/20/76/71/646207671.db2.gz ONJWFPHWSBJHKL-UHFFFAOYSA-N 1 0 266.360 2.096 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C3CC3)C2)c1 ZINC000769327428 646246227 /nfs/dbraw/zinc/24/62/27/646246227.db2.gz 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CCN(C)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1 ZINC000773846873 646779986 /nfs/dbraw/zinc/77/99/86/646779986.db2.gz LHIPTTUFKYKLHX-CZUORRHYSA-N 1 0 262.397 2.345 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCCN(CC)C(=O)C2)cc1 ZINC000773889638 646784437 /nfs/dbraw/zinc/78/44/37/646784437.db2.gz YWFANCPJSWKOGU-UHFFFAOYSA-N 1 0 289.423 2.197 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](COC)C2)cc1 ZINC000773888791 646784902 /nfs/dbraw/zinc/78/49/02/646784902.db2.gz OJMUBHAPMJHAIH-RHSMWYFYSA-N 1 0 292.423 2.378 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000774828511 646900600 /nfs/dbraw/zinc/90/06/00/646900600.db2.gz CQLDPMDJIWFPLN-FZMZJTMJSA-N 1 0 265.353 2.306 20 10 CECDRO CC[N@H+](CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000775408614 646951057 /nfs/dbraw/zinc/95/10/57/646951057.db2.gz AGCFGMLXKPLZEL-CYBMUJFWSA-N 1 0 289.423 2.414 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)CC(N)=O)c1cc(Cl)ccc1O ZINC000775514005 646961147 /nfs/dbraw/zinc/96/11/47/646961147.db2.gz 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/nfs/dbraw/zinc/03/79/97/647037997.db2.gz WJXPZFGRSFFJHO-YPMHNXCESA-N 1 0 265.353 2.306 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1OC ZINC000776250302 647041909 /nfs/dbraw/zinc/04/19/09/647041909.db2.gz GENFNCITGGZWHE-BJHJDKERSA-N 1 0 295.379 2.050 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCn2cncn2)cc1 ZINC000776975270 647100682 /nfs/dbraw/zinc/10/06/82/647100682.db2.gz OZNKDSWSSMWTQM-CQSZACIVSA-N 1 0 287.411 2.475 20 10 CECDRO Cc1ccnc(N2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000778999522 647279967 /nfs/dbraw/zinc/27/99/67/647279967.db2.gz GMTCUPVICTWAAP-UHFFFAOYSA-N 1 0 283.375 2.418 20 10 CECDRO OCC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779014876 647281844 /nfs/dbraw/zinc/28/18/44/647281844.db2.gz QSXFAPDSZIDWIP-LLVKDONJSA-N 1 0 253.317 2.126 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]Cc1ccc(F)cn1 ZINC000779093511 647287079 /nfs/dbraw/zinc/28/70/79/647287079.db2.gz FGSCMGLALHSCTA-UHFFFAOYSA-N 1 0 250.248 2.355 20 10 CECDRO CN(Cc1ccccc1O)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000779484361 647327401 /nfs/dbraw/zinc/32/74/01/647327401.db2.gz BNOJEOJCIQAKJI-UHFFFAOYSA-N 1 0 299.374 2.272 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)cc1C ZINC000865710706 647433707 /nfs/dbraw/zinc/43/37/07/647433707.db2.gz DIXNTWCMIAEBKS-JOYOIKCWSA-N 1 0 277.286 2.410 20 10 CECDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](O)C(F)(F)F ZINC000865711617 647434302 /nfs/dbraw/zinc/43/43/02/647434302.db2.gz PKGWFZRXYPBRAZ-QPUJVOFHSA-N 1 0 275.270 2.023 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](C)c2ccnn2C)c(O)c1 ZINC000865839692 647487042 /nfs/dbraw/zinc/48/70/42/647487042.db2.gz QLVIYIDHAOCJHD-LLVKDONJSA-N 1 0 275.352 2.375 20 10 CECDRO COC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCOCC1 ZINC000783239562 647699312 /nfs/dbraw/zinc/69/93/12/647699312.db2.gz YWOWWLGIEYULRW-INIZCTEOSA-N 1 0 291.391 2.153 20 10 CECDRO C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccccc1O ZINC000866446160 647789726 /nfs/dbraw/zinc/78/97/26/647789726.db2.gz UBVBFUWIYLYNTG-JYMBTIDVSA-N 1 0 259.349 2.466 20 10 CECDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1nc(CC2CC2)no1 ZINC000866659594 647858262 /nfs/dbraw/zinc/85/82/62/647858262.db2.gz OTBLKNWIIIYKJF-UHFFFAOYSA-N 1 0 298.390 2.434 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@H]3[NH2+]CC[C@H]32)c1O ZINC000866721380 647882205 /nfs/dbraw/zinc/88/22/05/647882205.db2.gz VRLWDTSXWVHHDY-HUUCEWRRSA-N 1 0 292.354 2.060 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)[C@H]1C ZINC000787247284 648089915 /nfs/dbraw/zinc/08/99/15/648089915.db2.gz SOBTUBHZQVQKGT-JSGCOSHPSA-N 1 0 277.364 2.392 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000787421146 648107536 /nfs/dbraw/zinc/10/75/36/648107536.db2.gz NUUOWKHLIKYWQP-IUODEOHRSA-N 1 0 276.380 2.136 20 10 CECDRO CO[C@]1(C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CCOC1 ZINC000788748759 648220144 /nfs/dbraw/zinc/22/01/44/648220144.db2.gz AJRKNGIZHQTDNV-BBRMVZONSA-N 1 0 279.380 2.465 20 10 CECDRO Cc1cc(C[NH2+]Cc2cc(C)c(C)cc2O)n(C)n1 ZINC000790602413 648434045 /nfs/dbraw/zinc/43/40/45/648434045.db2.gz VRXAYJMUPXLFON-UHFFFAOYSA-N 1 0 259.353 2.341 20 10 CECDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CCOC1 ZINC000123250890 648872336 /nfs/dbraw/zinc/87/23/36/648872336.db2.gz PJNYLAHZQKRMEX-XJKSGUPXSA-N 1 0 278.396 2.209 20 10 CECDRO CCC[C@@](C)([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000870988060 648971074 /nfs/dbraw/zinc/97/10/74/648971074.db2.gz FIWQKTOWWLLCEI-QMTHXVAHSA-N 1 0 250.342 2.087 20 10 CECDRO CCCOc1ccc(C[NH2+]CC(=O)NC(C)C)cc1C ZINC000873010043 649530576 /nfs/dbraw/zinc/53/05/76/649530576.db2.gz YJUCVQBMGVIWPW-UHFFFAOYSA-N 1 0 278.396 2.398 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@H]2CCCNC2=O)cc1C ZINC000873131528 649565837 /nfs/dbraw/zinc/56/58/37/649565837.db2.gz URTXYNBIWJVOLQ-HNNXBMFYSA-N 1 0 290.407 2.400 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873155920 649573770 /nfs/dbraw/zinc/57/37/70/649573770.db2.gz IJHIKVCNXZYUGX-SLEUVZQESA-N 1 0 277.364 2.448 20 10 CECDRO Cc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000873217430 649594058 /nfs/dbraw/zinc/59/40/58/649594058.db2.gz MHAKJOHHPJCWRT-BETUJISGSA-N 1 0 266.772 2.290 20 10 CECDRO C[C@H]1CN(Cc2c(O)cccc2Cl)C[C@H](C)[NH2+]1 ZINC000125064553 649788832 /nfs/dbraw/zinc/78/88/32/649788832.db2.gz XZEFIMLYNCMWGW-UWVGGRQHSA-N 1 0 254.761 2.228 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CCc2ncnn21)c1ccc(N(C)C)cc1 ZINC000878454345 651100859 /nfs/dbraw/zinc/10/08/59/651100859.db2.gz CDMFWTQEPNEAHU-DOMZBBRYSA-N 1 0 285.395 2.182 20 10 CECDRO CC(C)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1=O ZINC000879648183 651335017 /nfs/dbraw/zinc/33/50/17/651335017.db2.gz BZFTVGORSKVCRC-TZMCWYRMSA-N 1 0 276.380 2.442 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccccc1O ZINC000879650411 651335567 /nfs/dbraw/zinc/33/55/67/651335567.db2.gz ZYAHQMPHQMNQQS-ZIAGYGMSSA-N 1 0 293.407 2.489 20 10 CECDRO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000880437100 651440985 /nfs/dbraw/zinc/44/09/85/651440985.db2.gz GICWJXOPCQFURA-IRXDYDNUSA-N 1 0 292.423 2.297 20 10 CECDRO Cc1cc(Cn2cc(C3CC[NH2+]CC3)nn2)ccc1N(C)C ZINC000881376988 651701949 /nfs/dbraw/zinc/70/19/49/651701949.db2.gz CJOYGBBCTVDKIL-UHFFFAOYSA-N 1 0 299.422 2.168 20 10 CECDRO Cc1cc(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)ccc1N(C)C ZINC000881377141 651701987 /nfs/dbraw/zinc/70/19/87/651701987.db2.gz FVRDQWPFDBLYJC-OAHLLOKOSA-N 1 0 299.422 2.168 20 10 CECDRO CCCOc1ccc(C[NH2+]CCN(C)OC)cc1C ZINC000883171423 652388642 /nfs/dbraw/zinc/38/86/42/652388642.db2.gz XWXGKKSDZUNGPD-UHFFFAOYSA-N 1 0 266.385 2.367 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CCCOC1 ZINC000883183575 652392533 /nfs/dbraw/zinc/39/25/33/652392533.db2.gz FCDFURAWRBBAPA-HZPDHXFCSA-N 1 0 291.391 2.153 20 10 CECDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccccc1O ZINC000883277008 652422093 /nfs/dbraw/zinc/42/20/93/652422093.db2.gz SODRYWFSHHGBRW-TZMCWYRMSA-N 1 0 275.348 2.487 20 10 CECDRO O=C1[C@H]([NH2+]Cc2ccccc2O)CCN1C1CCCCC1 ZINC000131593259 652438028 /nfs/dbraw/zinc/43/80/28/652438028.db2.gz OMMNRCJLKXSGTO-OAHLLOKOSA-N 1 0 288.391 2.415 20 10 CECDRO COC[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000883374946 652448439 /nfs/dbraw/zinc/44/84/39/652448439.db2.gz XHNNZMCFLZKYPV-VIFPVBQESA-N 1 0 258.312 2.155 20 10 CECDRO CN(CC(=O)N1CCCC1)Cc1c(O)cccc1Cl ZINC000132705182 652548140 /nfs/dbraw/zinc/54/81/40/652548140.db2.gz PADCZAFKJQZWTN-UHFFFAOYSA-N 1 0 282.771 2.100 20 10 CECDRO CC[NH+](CC)CCCOC(=O)C1=CC(=O)CS1 ZINC000800165212 652669234 /nfs/dbraw/zinc/66/92/34/652669234.db2.gz HLWUONLMIVUTST-UHFFFAOYSA-N 1 0 257.355 2.342 20 10 CECDRO O=C(/C=C\c1ccc(O)c(O)c1)OCCC[NH+]1CCCC1 ZINC000800186651 652678712 /nfs/dbraw/zinc/67/87/12/652678712.db2.gz GKYGLNXBVZWBMM-ALCCZGGFSA-N 1 0 291.347 2.140 20 10 CECDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C(=O)NC(C)(C)C ZINC000134493223 652847336 /nfs/dbraw/zinc/84/73/36/652847336.db2.gz GRSFMCOLGFAJJA-VIFPVBQESA-N 1 0 284.787 2.438 20 10 CECDRO C[C@@]1([NH3+])CCN(Cc2cc3ccccc3cc2O)C1 ZINC001204801655 806125386 /nfs/dbraw/zinc/12/53/86/806125386.db2.gz RWQOJXHYAXTQCG-MRXNPFEDSA-N 1 0 256.349 2.469 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c(O)c1 ZINC000160437679 806872537 /nfs/dbraw/zinc/87/25/37/806872537.db2.gz DBVFYFJVAKXPNU-GFCCVEGCSA-N 1 0 265.353 2.448 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2ccnnc2)cc1 ZINC001139985057 802461038 /nfs/dbraw/zinc/46/10/38/802461038.db2.gz JBFQTLIIMJIDHH-UHFFFAOYSA-N 1 0 256.353 2.175 20 10 CECDRO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@@H]12 ZINC001140056407 802548964 /nfs/dbraw/zinc/54/89/64/802548964.db2.gz VWLYPTIJRCPVEL-ZWNOBZJWSA-N 1 0 263.312 2.332 20 10 CECDRO CC(=O)N1CCC([N@H+](C)Cc2c(C)ccc(C)c2O)CC1 ZINC001140182313 802671015 /nfs/dbraw/zinc/67/10/15/802671015.db2.gz OPFPDUVGXMEMDP-UHFFFAOYSA-N 1 0 290.407 2.452 20 10 CECDRO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H](O)C[NH3+])n2)cc1 ZINC001211417604 802816831 /nfs/dbraw/zinc/81/68/31/802816831.db2.gz HQSQOKJIEYCMAK-AWEZNQCLSA-N 1 0 298.346 2.136 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccns2)c1 ZINC000404423432 803268914 /nfs/dbraw/zinc/26/89/14/803268914.db2.gz KACCJWLRBFRZEL-UHFFFAOYSA-N 1 0 250.323 2.147 20 10 CECDRO CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1cc(C)ccc1O ZINC000724873382 803328057 /nfs/dbraw/zinc/32/80/57/803328057.db2.gz PHPOSPFCSHUDPI-UXIGCNINSA-N 1 0 265.353 2.155 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000725002575 803388362 /nfs/dbraw/zinc/38/83/62/803388362.db2.gz WZXRSRGEWRRRAU-YXMLORGKSA-N 1 0 253.729 2.049 20 10 CECDRO Oc1cccc(Br)c1C[NH2+][C@H]1CC12CC(O)C2 ZINC000725002377 803389957 /nfs/dbraw/zinc/38/99/57/803389957.db2.gz VCNNEWGQSDPDAV-CXJYDNQRSA-N 1 0 298.180 2.158 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)[C@@H](C)C1 ZINC001141163296 803763374 /nfs/dbraw/zinc/76/33/74/803763374.db2.gz ZEUJPWCCUKBAHA-GXFFZTMASA-N 1 0 251.326 2.097 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CC[C@H]1CCCS1)OCO2 ZINC000715759159 814990158 /nfs/dbraw/zinc/99/01/58/814990158.db2.gz YTBKEEAIXXMARX-LLVKDONJSA-N 1 0 281.377 2.496 20 10 CECDRO CCN1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1=O ZINC000722361599 804381992 /nfs/dbraw/zinc/38/19/92/804381992.db2.gz NOZNCTGDUCIWIV-AWEZNQCLSA-N 1 0 276.380 2.104 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(C)=O)CC2)c1 ZINC000037138393 815026594 /nfs/dbraw/zinc/02/65/94/815026594.db2.gz IJBUBSVJLBAXDC-LLVKDONJSA-N 1 0 292.379 2.062 20 10 CECDRO COc1cc(N(C)C)ccc1CN1CC[NH+](C(C)C)CC1 ZINC001231848010 807194617 /nfs/dbraw/zinc/19/46/17/807194617.db2.gz DQFZAGIGMWYOEZ-UHFFFAOYSA-N 1 0 291.439 2.287 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CC[C@@H](O)C(F)F ZINC000716746807 815145317 /nfs/dbraw/zinc/14/53/17/815145317.db2.gz UVBOFKFKRUXJHD-SNVBAGLBSA-N 1 0 265.687 2.151 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](CC)C[C@H](C)O)c1O ZINC000716798686 815147451 /nfs/dbraw/zinc/14/74/51/815147451.db2.gz JJEIUTLLOLYURA-WCQYABFASA-N 1 0 267.369 2.430 20 10 CECDRO [NH3+][C@H]1CCN(Cc2c(O)ccc(F)c2Cl)CC[C@H]1F ZINC001206197246 815639287 /nfs/dbraw/zinc/63/92/87/815639287.db2.gz HAXGCVLAWVXRIA-KOLCDFICSA-N 1 0 290.741 2.446 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CC[C@@H](OC)C1 ZINC001116748885 808870980 /nfs/dbraw/zinc/87/09/80/808870980.db2.gz ZGOVNYLFVSEREP-WDEREUQCSA-N 1 0 251.326 2.058 20 10 CECDRO CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001044886863 809358997 /nfs/dbraw/zinc/35/89/97/809358997.db2.gz BAKFCNJCSWAAQO-HNNXBMFYSA-N 1 0 290.407 2.494 20 10 CECDRO CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001034832550 809707406 /nfs/dbraw/zinc/70/74/06/809707406.db2.gz BAKFCNJCSWAAQO-OAHLLOKOSA-N 1 0 290.407 2.494 20 10 CECDRO c1cc2c(cc1C[NH2+][C@H]1CCN(C3CC3)C1)CCCO2 ZINC000709146573 809943353 /nfs/dbraw/zinc/94/33/53/809943353.db2.gz FGJJLINEKBCFAU-HNNXBMFYSA-N 1 0 272.392 2.338 20 10 CECDRO Oc1cccc2c1C[N@@H+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172231326 815343463 /nfs/dbraw/zinc/34/34/63/815343463.db2.gz RDJKQUBDUUMJOX-AGUYFDCRSA-N 1 0 259.349 2.460 20 10 CECDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1C ZINC001122003725 815376234 /nfs/dbraw/zinc/37/62/34/815376234.db2.gz GBTDTSCCOGKYKE-MLGOLLRUSA-N 1 0 291.439 2.441 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CCCCO2)c1 ZINC000379236781 810689339 /nfs/dbraw/zinc/68/93/39/810689339.db2.gz SVLLMLCNSMDDAO-XHDPSFHLSA-N 1 0 265.353 2.448 20 10 CECDRO CC(C)OCC[C@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172435462 815412459 /nfs/dbraw/zinc/41/24/59/815412459.db2.gz DJZZPGHVSQMXJO-LBPRGKRZSA-N 1 0 267.369 2.434 20 10 CECDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC001122513434 815420484 /nfs/dbraw/zinc/42/04/84/815420484.db2.gz QMJRDNIZLFYTFO-CYBMUJFWSA-N 1 0 277.412 2.048 20 10 CECDRO Nc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC001122535714 815422888 /nfs/dbraw/zinc/42/28/88/815422888.db2.gz GAXIIUPTRSGWKP-KBMXLJTQSA-N 1 0 287.407 2.196 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000691424639 811646952 /nfs/dbraw/zinc/64/69/52/811646952.db2.gz WANOPAFDKRYCHQ-OCCSQVGLSA-N 1 0 251.301 2.188 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1O ZINC000691461644 811862388 /nfs/dbraw/zinc/86/23/88/811862388.db2.gz JVALWFIJOUZTDA-JSGCOSHPSA-N 1 0 263.337 2.058 20 10 CECDRO CCc1cccc(C[NH2+]CCCn2ccnc2)c1O ZINC000691511527 811993873 /nfs/dbraw/zinc/99/38/73/811993873.db2.gz KVRHGVHNVFRBFR-UHFFFAOYSA-N 1 0 259.353 2.331 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c(O)c1 ZINC000384541762 812429679 /nfs/dbraw/zinc/42/96/79/812429679.db2.gz FAFGOTCUDYTRMO-GIPNMCIBSA-N 1 0 251.326 2.056 20 10 CECDRO CC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001123747013 815551971 /nfs/dbraw/zinc/55/19/71/815551971.db2.gz JARWJIDNZNTHHI-LBPRGKRZSA-N 1 0 278.396 2.256 20 10 CECDRO CCOc1cccc(C[N@H+](CC)[C@H]2CCOC2)c1O ZINC000388696612 813241078 /nfs/dbraw/zinc/24/10/78/813241078.db2.gz FDZIXGAFWJMAHR-ZDUSSCGKSA-N 1 0 265.353 2.402 20 10 CECDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CN2CCC1CC2 ZINC000388632788 813241439 /nfs/dbraw/zinc/24/14/39/813241439.db2.gz VZZHQQKJEWBZBH-CQSZACIVSA-N 1 0 264.344 2.057 20 10 CECDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000389066129 813247144 /nfs/dbraw/zinc/24/71/44/813247144.db2.gz USHGSASJALYAHH-CJNGLKHVSA-N 1 0 260.381 2.411 20 10 CECDRO O=c1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cc[nH]1 ZINC000392865379 813308812 /nfs/dbraw/zinc/30/88/12/813308812.db2.gz XFGJFLFVVHYVGC-UHFFFAOYSA-N 1 0 256.305 2.012 20 10 CECDRO COc1cccc(C[NH2+]CC(C)(C)C(C)(C)O)c1O ZINC000393624357 813319394 /nfs/dbraw/zinc/31/93/94/813319394.db2.gz UYHQQULXDGUIAI-UHFFFAOYSA-N 1 0 267.369 2.288 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CS[C@H](C)C2)c(O)c1 ZINC000397975958 813650032 /nfs/dbraw/zinc/65/00/32/813650032.db2.gz OSLICDPMZHBWNY-MWLCHTKSSA-N 1 0 253.367 2.384 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CS[C@@H](C)C2)c(O)c1 ZINC000397975960 813650278 /nfs/dbraw/zinc/65/02/78/813650278.db2.gz OSLICDPMZHBWNY-ONGXEEELSA-N 1 0 253.367 2.384 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOC(F)F)c1 ZINC000398119862 813658542 /nfs/dbraw/zinc/65/85/42/813658542.db2.gz CMBDZNDSLGUQAC-MRVPVSSYSA-N 1 0 261.268 2.291 20 10 CECDRO CCCCC[NH+]1CCN(Cc2c(O)cc(O)cc2O)CC1 ZINC001144509535 814097912 /nfs/dbraw/zinc/09/79/12/814097912.db2.gz XTCGLYHWCROERY-UHFFFAOYSA-N 1 0 294.395 2.111 20 10 CECDRO COc1cc(Cl)cc(CN(C)CC(C)(C)[NH3+])c1O ZINC000692075593 814603396 /nfs/dbraw/zinc/60/33/96/814603396.db2.gz YLXGRPSBIXSDQD-UHFFFAOYSA-N 1 0 272.776 2.223 20 10 CECDRO Cc1cc(C[N@@H+]2CCCC23COC3)ccc1N(C)C ZINC001139672888 814630247 /nfs/dbraw/zinc/63/02/47/814630247.db2.gz LPGNDBRPRQDWCF-UHFFFAOYSA-N 1 0 260.381 2.426 20 10 CECDRO C[C@H](C(=O)NCc1ccco1)[N@H+](C)Cc1ccccc1O ZINC001116346195 814846725 /nfs/dbraw/zinc/84/67/25/814846725.db2.gz GOOYBWWFEATYIZ-GFCCVEGCSA-N 1 0 288.347 2.122 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)c1 ZINC000714352755 814898109 /nfs/dbraw/zinc/89/81/09/814898109.db2.gz UZIQUGDHTZXEKY-QWHCGFSZSA-N 1 0 297.420 2.319 20 10 CECDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2O)C1 ZINC000714458731 814906140 /nfs/dbraw/zinc/90/61/40/814906140.db2.gz IYEUKZDKSCHUFR-SDDRHHMPSA-N 1 0 265.353 2.476 20 10 CECDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1c(O)cccc1F ZINC001137833224 815690783 /nfs/dbraw/zinc/69/07/83/815690783.db2.gz XPDZMPCSWVRTSU-WDEREUQCSA-N 1 0 252.333 2.056 20 10 CECDRO C[NH+](C)CC1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137837699 815692773 /nfs/dbraw/zinc/69/27/73/815692773.db2.gz RDKMJHUAYQPXRA-UHFFFAOYSA-N 1 0 266.360 2.305 20 10 CECDRO CC[NH+](CC)C[C@@H]1CN(Cc2c(O)cccc2F)CCO1 ZINC001137841648 815694199 /nfs/dbraw/zinc/69/41/99/815694199.db2.gz OAXDQAUYRAIVSN-CYBMUJFWSA-N 1 0 296.386 2.074 20 10 CECDRO C[NH+]1CCC2(CC[N@H+](Cc3cccc(F)c3[O-])C2)CC1 ZINC001138128337 815733325 /nfs/dbraw/zinc/73/33/25/815733325.db2.gz DGMOQLRKXSLKNJ-UHFFFAOYSA-N 1 0 278.371 2.449 20 10 CECDRO CC[N@H+](CCn1cccn1)Cc1cccc(F)c1[O-] ZINC001138128754 815734627 /nfs/dbraw/zinc/73/46/27/815734627.db2.gz XOSLWKUXRUTWSU-UHFFFAOYSA-N 1 0 263.316 2.250 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCC[C@H](CO)C3)ccc21 ZINC001138353701 815772644 /nfs/dbraw/zinc/77/26/44/815772644.db2.gz HILLEGSGULUZHQ-HNNXBMFYSA-N 1 0 274.408 2.273 20 10 CECDRO CN1CCCc2cc(C[NH+]3CC(C4COC4)C3)ccc21 ZINC001138354567 815773842 /nfs/dbraw/zinc/77/38/42/815773842.db2.gz NMJYPNYCPGKLCF-UHFFFAOYSA-N 1 0 272.392 2.147 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCCC34COC4)ccc21 ZINC001138357483 815774512 /nfs/dbraw/zinc/77/45/12/815774512.db2.gz GIYHJXNKPOFDCG-UHFFFAOYSA-N 1 0 272.392 2.434 20 10 CECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CCOCC1 ZINC001138495188 815816001 /nfs/dbraw/zinc/81/60/01/815816001.db2.gz VJEVAHMGUSUXQZ-UHFFFAOYSA-N 1 0 290.407 2.134 20 10 CECDRO Cc1cc(Cl)cc(CN2CC(C)(C[NH3+])C2)c1O ZINC001206738255 816111828 /nfs/dbraw/zinc/11/18/28/816111828.db2.gz YPKVUUMSNFZFIM-UHFFFAOYSA-N 1 0 254.761 2.135 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1O ZINC001140058090 816180736 /nfs/dbraw/zinc/18/07/36/816180736.db2.gz SNKPMVFNJVSFGP-GWCFXTLKSA-N 1 0 253.317 2.124 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@]1(C)O ZINC001140058240 816180764 /nfs/dbraw/zinc/18/07/64/816180764.db2.gz WCBSIHKDBQIWST-YGRLFVJLSA-N 1 0 253.317 2.124 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178709 816204702 /nfs/dbraw/zinc/20/47/02/816204702.db2.gz VEQMNJIZGPTXNN-GFCCVEGCSA-N 1 0 263.337 2.004 20 10 CECDRO Cc1ccc(C)c(C[NH+]2CCN(c3cncnc3)CC2)c1O ZINC001140183677 816205627 /nfs/dbraw/zinc/20/56/27/816205627.db2.gz FYGVUASZOSQNIR-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c(O)cccc3Cl)C[C@@H]21 ZINC001140342243 816237053 /nfs/dbraw/zinc/23/70/53/816237053.db2.gz ZRPSGNYHCIHWDT-MSRIBSCDSA-N 1 0 295.766 2.287 20 10 CECDRO Cc1cnc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)nc1 ZINC001140624056 816306322 /nfs/dbraw/zinc/30/63/22/816306322.db2.gz DRWAPIVTGKVFQU-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](NC(=O)C3CC3)C2)c1 ZINC001140624349 816308151 /nfs/dbraw/zinc/30/81/51/816308151.db2.gz SEGNBJFOCCXUEA-OAHLLOKOSA-N 1 0 288.391 2.191 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c1O ZINC001140744015 816339714 /nfs/dbraw/zinc/33/97/14/816339714.db2.gz IAVKVOIDYIWIIA-MRXNPFEDSA-N 1 0 279.380 2.391 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c1O ZINC001140744360 816340019 /nfs/dbraw/zinc/34/00/19/816340019.db2.gz UUYQJRWRXQXSMS-IUODEOHRSA-N 1 0 277.364 2.407 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)c1O ZINC001140744381 816340202 /nfs/dbraw/zinc/34/02/02/816340202.db2.gz VVVRLCOIYSTAPQ-JTQLQIEISA-N 1 0 263.337 2.207 20 10 CECDRO CO[C@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)[C@@H](C)C1 ZINC001140751386 816343640 /nfs/dbraw/zinc/34/36/40/816343640.db2.gz USXFVZOUXNAXNY-GWCFXTLKSA-N 1 0 265.353 2.406 20 10 CECDRO CCC1(O)CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140748457 816343772 /nfs/dbraw/zinc/34/37/72/816343772.db2.gz HAFNWXNXMTVATO-UHFFFAOYSA-N 1 0 265.353 2.143 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c(O)c1 ZINC001140850998 816382601 /nfs/dbraw/zinc/38/26/01/816382601.db2.gz XVYZZHCMUUPWTE-HUUCEWRRSA-N 1 0 296.386 2.143 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cnccn3)C2)c(O)c1 ZINC001140953621 816423854 /nfs/dbraw/zinc/42/38/54/816423854.db2.gz DXBUEFPREBGIQJ-CQSZACIVSA-N 1 0 285.347 2.144 20 10 CECDRO Cc1ccc(C[N@H+]2CC[C@@H](N(C)C3CC3)C2)c(O)c1 ZINC001140958365 816425721 /nfs/dbraw/zinc/42/57/21/816425721.db2.gz ZFKPCVLGRRUJHN-OAHLLOKOSA-N 1 0 260.381 2.369 20 10 CECDRO COC[C@H]1CCCC[N@@H+]1Cc1c(O)cc(OC)cc1OC ZINC001141031475 816450896 /nfs/dbraw/zinc/45/08/96/816450896.db2.gz GOKOQHIRUJNATP-GFCCVEGCSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cc(O)c(C[NH+]2CC(C)(C)C2)c(OC)c1 ZINC001141032230 816453174 /nfs/dbraw/zinc/45/31/74/816453174.db2.gz WQYRWKQEDDWKNB-UHFFFAOYSA-N 1 0 251.326 2.251 20 10 CECDRO C[C@H]1C[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C[C@H]1O ZINC001141074182 816468779 /nfs/dbraw/zinc/46/87/79/816468779.db2.gz AAELGUBLEAIXDH-SUMWQHHRSA-N 1 0 286.419 2.198 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCC[C@@]34CCOC4)ccc21 ZINC001141144777 816485789 /nfs/dbraw/zinc/48/57/89/816485789.db2.gz KOJYTZKRCVKVRU-KRWDZBQOSA-N 1 0 288.391 2.270 20 10 CECDRO CN1CCOc2cc(C[NH+]3CCSCC3)ccc21 ZINC001141142186 816485968 /nfs/dbraw/zinc/48/59/68/816485968.db2.gz IWUHRGBGBYHAHH-UHFFFAOYSA-N 1 0 264.394 2.064 20 10 CECDRO CC[N@H+](Cc1ccc2c(c1)OCCN2C)CC(C)(C)O ZINC001141145665 816486520 /nfs/dbraw/zinc/48/65/20/816486520.db2.gz XSAYDUUJVNUEMT-UHFFFAOYSA-N 1 0 278.396 2.108 20 10 CECDRO CCCO[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159034 816489638 /nfs/dbraw/zinc/48/96/38/816489638.db2.gz WUWNTHNVIHYJON-CYBMUJFWSA-N 1 0 251.326 2.099 20 10 CECDRO Cn1ccc(C2CC[NH+](Cc3cc(O)ccc3O)CC2)n1 ZINC001141162285 816492415 /nfs/dbraw/zinc/49/24/15/816492415.db2.gz NRTCUYUIVUFWFL-UHFFFAOYSA-N 1 0 287.363 2.211 20 10 CECDRO CCOCc1cc(C[NH2+][C@H](CC)CO)ccc1OC ZINC001177148884 816525563 /nfs/dbraw/zinc/52/55/63/816525563.db2.gz QXQQOVDKZAURFB-CQSZACIVSA-N 1 0 267.369 2.092 20 10 CECDRO CCOc1cccc(CN2CCCC[C@@](F)(C[NH3+])C2)c1O ZINC001206337963 816774446 /nfs/dbraw/zinc/77/44/46/816774446.db2.gz XHZBENQCAXNUGW-MRXNPFEDSA-N 1 0 296.386 2.444 20 10 CECDRO CNC(=O)CC[N@H+](C)Cc1cccc(C(C)(C)C)c1O ZINC001143110625 816787992 /nfs/dbraw/zinc/78/79/92/816787992.db2.gz MBBVZECYXFPBAB-UHFFFAOYSA-N 1 0 278.396 2.258 20 10 CECDRO [NH3+]C[C@]1(F)CCCCN(Cc2c(O)cccc2F)C1 ZINC001206344954 816790006 /nfs/dbraw/zinc/79/00/06/816790006.db2.gz YODUDXFMHJARBK-CQSZACIVSA-N 1 0 270.323 2.184 20 10 CECDRO C[C@@H]([NH2+]Cc1nc(CO)cs1)c1ccccc1O ZINC001179489067 816866785 /nfs/dbraw/zinc/86/67/85/816866785.db2.gz FJNUKBJNEOPOMZ-SECBINFHSA-N 1 0 264.350 2.192 20 10 CECDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000125075978 365666441 /nfs/dbraw/zinc/66/64/41/365666441.db2.gz VOQVACIDKHHYNO-SNVBAGLBSA-N 1 0 282.771 2.004 20 10 CECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCCO1 ZINC000161794722 344465073 /nfs/dbraw/zinc/46/50/73/344465073.db2.gz JKVJEIUXEGUAFE-QGZVFWFLSA-N 1 0 290.407 2.134 20 10 CECDRO Cc1n[nH]cc1C[NH2+]Cc1c(O)cccc1Cl ZINC000090715355 364063106 /nfs/dbraw/zinc/06/31/06/364063106.db2.gz QWGXQRLIHBLIPD-UHFFFAOYSA-N 1 0 251.717 2.367 20 10 CECDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113320683 364887268 /nfs/dbraw/zinc/88/72/68/364887268.db2.gz SIQJNXLRTGMIQC-GFCCVEGCSA-N 1 0 276.359 2.267 20 10 CECDRO Cn1cccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000161763490 367111547 /nfs/dbraw/zinc/11/15/47/367111547.db2.gz DDBNDISVFVYVLN-UHFFFAOYSA-N 1 0 285.391 2.152 20 10 CECDRO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccccc3O)[C@H]2C1 ZINC000245629241 370851352 /nfs/dbraw/zinc/85/13/52/370851352.db2.gz UQUXZCHFSJBNDS-IJEWVQPXSA-N 1 0 277.364 2.161 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000179585216 368342957 /nfs/dbraw/zinc/34/29/57/368342957.db2.gz FBLQHAPGKGNXGL-JSGCOSHPSA-N 1 0 265.378 2.099 20 10 CECDRO Cc1cccc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1O ZINC000179590133 368343163 /nfs/dbraw/zinc/34/31/63/368343163.db2.gz FXITWVBXKWHGHK-UHFFFAOYSA-N 1 0 276.380 2.001 20 10 CECDRO CCOc1cccc(C[NH+]2CCC(C)(O)CC2)c1O ZINC000179724052 368349138 /nfs/dbraw/zinc/34/91/38/368349138.db2.gz JEFADQMLJCYKNB-UHFFFAOYSA-N 1 0 265.353 2.138 20 10 CECDRO C[N@H+](Cc1cc(F)ccc1O)[C@H](CO)C(C)(C)C ZINC000180240880 368372939 /nfs/dbraw/zinc/37/29/39/368372939.db2.gz QWDBSBWVBVXWAN-CYBMUJFWSA-N 1 0 255.333 2.370 20 10 CECDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000179886912 368356409 /nfs/dbraw/zinc/35/64/09/368356409.db2.gz SYGFQBHQVINKRO-OAHLLOKOSA-N 1 0 276.380 2.280 20 10 CECDRO O=C(NC1CC[NH+](Cc2cc(F)ccc2O)CC1)C1CC1 ZINC000179906727 368356624 /nfs/dbraw/zinc/35/66/24/368356624.db2.gz GQTSDFDRIDUNKD-UHFFFAOYSA-N 1 0 292.354 2.022 20 10 CECDRO CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000180219871 368373253 /nfs/dbraw/zinc/37/32/53/368373253.db2.gz KCPFOICPFMELGA-NSHDSACASA-N 1 0 296.798 2.312 20 10 CECDRO CNC(=O)CCC[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000180506665 368384444 /nfs/dbraw/zinc/38/44/44/368384444.db2.gz MUOHGSHTWUQWCZ-UHFFFAOYSA-N 1 0 284.787 2.312 20 10 CECDRO CCn1cc([C@@H](C)[NH2+]Cc2cc(OC)ccc2O)cn1 ZINC000180896723 368401457 /nfs/dbraw/zinc/40/14/57/368401457.db2.gz KMUWZUGOUBXIOM-LLVKDONJSA-N 1 0 275.352 2.468 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1O ZINC000187985348 369269030 /nfs/dbraw/zinc/26/90/30/369269030.db2.gz KNGNNEMKBUALRY-SKDRFNHKSA-N 1 0 285.771 2.305 20 10 CECDRO CO[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1C ZINC000188320146 369338489 /nfs/dbraw/zinc/33/84/89/369338489.db2.gz KYODCBWVECGWON-HZMBPMFUSA-N 1 0 253.317 2.388 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189980452 369585062 /nfs/dbraw/zinc/58/50/62/369585062.db2.gz YCUDYFRRDKBVDG-UHFFFAOYSA-N 1 0 290.342 2.035 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1OC ZINC000190303876 369611825 /nfs/dbraw/zinc/61/18/25/369611825.db2.gz BACNIPWPZPGLST-YPMHNXCESA-N 1 0 295.379 2.050 20 10 CECDRO COC(=O)[C@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1O ZINC000191674029 369731879 /nfs/dbraw/zinc/73/18/79/369731879.db2.gz OLLPWFIICXHRQE-OSAQELSMSA-N 1 0 275.348 2.166 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000226610888 370349078 /nfs/dbraw/zinc/34/90/78/370349078.db2.gz INRNHCALACEULP-MFKMUULPSA-N 1 0 253.317 2.172 20 10 CECDRO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(C)ccc1O ZINC000248876496 371261251 /nfs/dbraw/zinc/26/12/51/371261251.db2.gz WCHMKTPZKPUJMS-INWMFGNUSA-N 1 0 289.375 2.474 20 10 CECDRO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc(C)c1O ZINC000248846970 371255504 /nfs/dbraw/zinc/25/55/04/371255504.db2.gz PIEHNMUCQYYQEJ-SNPRPXQTSA-N 1 0 289.375 2.474 20 10 CECDRO CC[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000268573878 372140547 /nfs/dbraw/zinc/14/05/47/372140547.db2.gz RQSUQNCUCJUYMU-LSDHHAIUSA-N 1 0 279.380 2.144 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268802955 372230377 /nfs/dbraw/zinc/23/03/77/372230377.db2.gz DZXNSTASFIFWFY-UKRRQHHQSA-N 1 0 275.396 2.024 20 10 CECDRO COC[C@H](O)C[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000268893234 372275484 /nfs/dbraw/zinc/27/54/84/372275484.db2.gz KCFRMSNIOLUBLR-RHSMWYFYSA-N 1 0 292.423 2.335 20 10 CECDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000270003976 372632144 /nfs/dbraw/zinc/63/21/44/372632144.db2.gz SFOKLICDZZISQJ-SFHVURJKSA-N 1 0 299.370 2.300 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000363928390 372651962 /nfs/dbraw/zinc/65/19/62/372651962.db2.gz PCDXJVCSNUKKBL-UHFFFAOYSA-N 1 0 277.364 2.403 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CCC[C@@H](C)CO)c1 ZINC000270229962 372710282 /nfs/dbraw/zinc/71/02/82/372710282.db2.gz AFDDSEIOXINEQW-GFCCVEGCSA-N 1 0 267.369 2.289 20 10 CECDRO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000366489495 373067569 /nfs/dbraw/zinc/06/75/69/373067569.db2.gz POGFJUPFLHSUOD-RHSMWYFYSA-N 1 0 291.391 2.471 20 10 CECDRO CN(C)c1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1F ZINC000271184451 373167062 /nfs/dbraw/zinc/16/70/62/373167062.db2.gz MRBMKDSXJYPBBW-DZGCQCFKSA-N 1 0 277.387 2.076 20 10 CECDRO COc1ccc(O)c([C@H](C)[N@@H+]2CCOC[C@H](C)C2)c1 ZINC000366774296 373121681 /nfs/dbraw/zinc/12/16/81/373121681.db2.gz QMBPUTAQYWHSLM-NEPJUHHUSA-N 1 0 265.353 2.430 20 10 CECDRO CN(C)c1ccc(C2=CC[N@H+](CCc3ccnn3C)C2)cc1 ZINC000367121772 373137795 /nfs/dbraw/zinc/13/77/95/373137795.db2.gz SLXGFHSIHFUCDI-UHFFFAOYSA-N 1 0 296.418 2.428 20 10 CECDRO C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)c1ccccc1O ZINC000367203193 373141982 /nfs/dbraw/zinc/14/19/82/373141982.db2.gz CHZYEBDIWKFSHM-FPMFFAJLSA-N 1 0 274.364 2.196 20 10 CECDRO Cc1cccc(C[N@H+](CCO)Cc2cccnc2)c1O ZINC000271748917 373201266 /nfs/dbraw/zinc/20/12/66/373201266.db2.gz UOVQGKVZRQSLML-UHFFFAOYSA-N 1 0 272.348 2.090 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@](C)(O)c2cccs2)c1 ZINC000271877520 373202757 /nfs/dbraw/zinc/20/27/57/373202757.db2.gz ZUIZQDFSZBVFMM-HNNXBMFYSA-N 1 0 293.388 2.460 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@](C)(O)c2cccs2)c1 ZINC000271877523 373204726 /nfs/dbraw/zinc/20/47/26/373204726.db2.gz ZUIZQDFSZBVFMM-OAHLLOKOSA-N 1 0 293.388 2.460 20 10 CECDRO CCCNC(=O)C[N@H+](CCC)Cc1cc(F)ccc1O ZINC000272320837 373428463 /nfs/dbraw/zinc/42/84/63/373428463.db2.gz UHBMEJNVMWGYHI-UHFFFAOYSA-N 1 0 282.359 2.270 20 10 CECDRO Cc1cc(C[NH2+][C@H](C)Cn2cccn2)ccc1N(C)C ZINC000274353968 373892525 /nfs/dbraw/zinc/89/25/25/373892525.db2.gz IQJBJIRUQPIRJB-CQSZACIVSA-N 1 0 272.396 2.436 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000371884392 373998741 /nfs/dbraw/zinc/99/87/41/373998741.db2.gz PWGDQDYCSPLUEO-LSDHHAIUSA-N 1 0 288.391 2.225 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000371884389 373999099 /nfs/dbraw/zinc/99/90/99/373999099.db2.gz PWGDQDYCSPLUEO-CABCVRRESA-N 1 0 288.391 2.225 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000374998460 374639187 /nfs/dbraw/zinc/63/91/87/374639187.db2.gz NLLQCFMNIJXDMZ-OLZOCXBDSA-N 1 0 277.364 2.259 20 10 CECDRO C[C@H]([NH2+]CCF)c1ccc(N2CCOCC2)c(F)c1 ZINC000281204305 375362955 /nfs/dbraw/zinc/36/29/55/375362955.db2.gz YHNHWIXWWBWURC-NSHDSACASA-N 1 0 270.323 2.282 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](CO)CCOC)cc1 ZINC000282344217 375461448 /nfs/dbraw/zinc/46/14/48/375461448.db2.gz VFIHMQXTNFLZJH-OAHLLOKOSA-N 1 0 280.412 2.020 20 10 CECDRO C[S@](=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000282268476 375442999 /nfs/dbraw/zinc/44/29/99/375442999.db2.gz HMUAJHDZXOBZRD-KRWDZBQOSA-N 1 0 273.785 2.046 20 10 CECDRO CCC[C@]1([NH2+]Cc2cccc(OC)c2O)CCOC1 ZINC000285429770 375837977 /nfs/dbraw/zinc/83/79/77/375837977.db2.gz HIAKHWPWIRDNGV-HNNXBMFYSA-N 1 0 265.353 2.450 20 10 CECDRO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)ccc1N(C)C ZINC000293505658 377598400 /nfs/dbraw/zinc/59/84/00/377598400.db2.gz HRSBISGNTRBOMP-HZPDHXFCSA-N 1 0 262.397 2.406 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCc2cnn(C)n2)c(O)c1 ZINC000293646150 377673794 /nfs/dbraw/zinc/67/37/94/377673794.db2.gz HOCZWHVAJHKCEB-CYBMUJFWSA-N 1 0 288.395 2.421 20 10 CECDRO CCCOc1ccc(C[NH+]2CC3(C2)CCOC3)c(O)c1 ZINC000293884872 377807382 /nfs/dbraw/zinc/80/73/82/377807382.db2.gz DGNHAVFBVCTOEQ-UHFFFAOYSA-N 1 0 277.364 2.403 20 10 CECDRO Cc1cc(C[N@@H+](CCOCCO)C(C)C)ccc1N(C)C ZINC000294014893 377871547 /nfs/dbraw/zinc/87/15/47/377871547.db2.gz GYOOQQYVANGBOX-UHFFFAOYSA-N 1 0 294.439 2.280 20 10 CECDRO CCCOc1ccc(C[N@H+](C)[C@@H](CC)CO)c(O)c1 ZINC000295061637 378038980 /nfs/dbraw/zinc/03/89/80/378038980.db2.gz GPHACTKSESNPKB-ZDUSSCGKSA-N 1 0 267.369 2.384 20 10 CECDRO OC[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000295122460 378043231 /nfs/dbraw/zinc/04/32/31/378043231.db2.gz WVHWICJEPLMRII-ZJUUUORDSA-N 1 0 255.745 2.296 20 10 CECDRO COCCN1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296224419 378459560 /nfs/dbraw/zinc/45/95/60/378459560.db2.gz ZYDBFXKJJGOWGL-OAHLLOKOSA-N 1 0 290.407 2.080 20 10 CECDRO C[C@@]1(F)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000296115182 378421612 /nfs/dbraw/zinc/42/16/12/378421612.db2.gz SPXHYFNWWOBZSY-CQSZACIVSA-N 1 0 267.300 2.445 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCCO[C@@H]1CCOC1)CC2 ZINC000297540145 378686627 /nfs/dbraw/zinc/68/66/27/378686627.db2.gz DYWBIMHDKVUDBG-ZIAGYGMSSA-N 1 0 277.364 2.165 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000529636797 380181099 /nfs/dbraw/zinc/18/10/99/380181099.db2.gz HIEHTJYIRVCCAW-GFCCVEGCSA-N 1 0 265.353 2.307 20 10 CECDRO COc1cc(O)c(C[NH2+]CC2CC=CC2)cc1OC ZINC000529641175 380181182 /nfs/dbraw/zinc/18/11/82/380181182.db2.gz NXLXVYHLZFWKJW-UHFFFAOYSA-N 1 0 263.337 2.465 20 10 CECDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185510810 262057678 /nfs/dbraw/zinc/05/76/78/262057678.db2.gz ASDMJINHUITFHY-UHIISALHSA-N 1 0 269.410 2.464 20 10 CECDRO CNC(=O)CC1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000093587627 394667148 /nfs/dbraw/zinc/66/71/48/394667148.db2.gz NXJWDOWLTUYMFG-UHFFFAOYSA-N 1 0 289.423 2.101 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@@]1(O)CCSC1 ZINC000267049095 394672391 /nfs/dbraw/zinc/67/23/91/394672391.db2.gz NLQZUJXAXWYUPL-LBPRGKRZSA-N 1 0 273.785 2.003 20 10 CECDRO CC(C)N1C[C@@H]([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000271554017 394758432 /nfs/dbraw/zinc/75/84/32/394758432.db2.gz WLEHMXLDYZPZQK-HIFRSBDPSA-N 1 0 289.423 2.413 20 10 CECDRO COc1ccc(N2CC[NH+](CCCF)CC2)cc1 ZINC000119051038 394763641 /nfs/dbraw/zinc/76/36/41/394763641.db2.gz RHWOCEFWIRHBKL-UHFFFAOYSA-N 1 0 252.333 2.177 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@]2(C)CCOC2)cc1F ZINC000120245262 394777554 /nfs/dbraw/zinc/77/75/54/394777554.db2.gz UWRIAONFCGRMPR-CQSZACIVSA-N 1 0 252.333 2.160 20 10 CECDRO CCN(CC)C(=O)C[N@H+](C)Cc1cccc(C)c1O ZINC000124495630 394838655 /nfs/dbraw/zinc/83/86/55/394838655.db2.gz QFRLUSYZCXNADP-UHFFFAOYSA-N 1 0 264.369 2.001 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H](C)C1 ZINC000282367580 394918254 /nfs/dbraw/zinc/91/82/54/394918254.db2.gz QCINKKGMFFALDE-CMPLNLGQSA-N 1 0 279.336 2.120 20 10 CECDRO COc1ccc(O)c(CN2CC[NH+](CC(C)C)CC2)c1 ZINC000133840329 394955228 /nfs/dbraw/zinc/95/52/28/394955228.db2.gz YFBLAEIWMCVODI-UHFFFAOYSA-N 1 0 278.396 2.174 20 10 CECDRO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](O)C2)c1O ZINC000132487979 394931658 /nfs/dbraw/zinc/93/16/58/394931658.db2.gz VQMBDDVXDIFWDC-LLVKDONJSA-N 1 0 286.169 2.030 20 10 CECDRO CC(C)NC(=O)CN(C)Cc1c(O)cccc1Cl ZINC000133384592 394950127 /nfs/dbraw/zinc/95/01/27/394950127.db2.gz ACFHZMLSMXYTOC-UHFFFAOYSA-N 1 0 270.760 2.002 20 10 CECDRO C[C@H]([NH2+]CCCO)c1ccc(Br)cc1O ZINC000134904069 394959404 /nfs/dbraw/zinc/95/94/04/394959404.db2.gz HLKSODSMQCIHKO-QMMMGPOBSA-N 1 0 274.158 2.188 20 10 CECDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Cl)ccc1O ZINC000373739232 395065075 /nfs/dbraw/zinc/06/50/75/395065075.db2.gz VOHJHMFYEHLAQR-WFBYXXMGSA-N 1 0 294.782 2.131 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCCO[C@@H]3CCC[C@H]31)OCO2 ZINC000374096316 395073415 /nfs/dbraw/zinc/07/34/15/395073415.db2.gz WYUQPFROSRWUON-TZMCWYRMSA-N 1 0 291.347 2.264 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CCSC(F)(F)F)OCO2 ZINC000171128295 395093807 /nfs/dbraw/zinc/09/38/07/395093807.db2.gz HUYSTRADGZMZFQ-UHFFFAOYSA-N 1 0 295.282 2.464 20 10 CECDRO C[C@H]([NH2+]CCN(C)C)c1ccc(Br)cc1O ZINC000287081444 395032948 /nfs/dbraw/zinc/03/29/48/395032948.db2.gz ORIKQMZJKZPBJC-VIFPVBQESA-N 1 0 287.201 2.367 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@H](COC(C)C)C2)c1O ZINC000372123853 395034980 /nfs/dbraw/zinc/03/49/80/395034980.db2.gz DOENQNFELFUANE-HNNXBMFYSA-N 1 0 279.380 2.326 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000372127479 395035377 /nfs/dbraw/zinc/03/53/77/395035377.db2.gz CISFLTFAGKOTEU-UHFFFAOYSA-N 1 0 295.354 2.303 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](COC(C)C)C2)c1 ZINC000372124878 395035407 /nfs/dbraw/zinc/03/54/07/395035407.db2.gz WGKOYMOBWOSHRL-OAHLLOKOSA-N 1 0 279.380 2.326 20 10 CECDRO CN1CCc2cc(C[NH2+]Cc3cnc4cnccn34)ccc21 ZINC000372353817 395040725 /nfs/dbraw/zinc/04/07/25/395040725.db2.gz ANRFPOGGMYVYCA-UHFFFAOYSA-N 1 0 293.374 2.011 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1F ZINC000372738988 395045623 /nfs/dbraw/zinc/04/56/23/395045623.db2.gz HTXQBLCWGSATIT-CYBMUJFWSA-N 1 0 288.370 2.262 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)CCC[NH2+]C)cc1F ZINC000178768405 395174131 /nfs/dbraw/zinc/17/41/31/395174131.db2.gz BNLDSIFYMZJWNT-UHFFFAOYSA-N 1 0 295.402 2.288 20 10 CECDRO Cc1cccc(C[NH+]2CCN(Cc3ccncc3)CC2)c1O ZINC000182041914 395230442 /nfs/dbraw/zinc/23/04/42/395230442.db2.gz OFCHKVOXUJCMBD-UHFFFAOYSA-N 1 0 297.402 2.413 20 10 CECDRO COc1cc(O)c(C[N@H+](C)Cc2cccnc2)cc1OC ZINC000182027587 395231080 /nfs/dbraw/zinc/23/10/80/395231080.db2.gz PPOYWHXVFLIFSL-UHFFFAOYSA-N 1 0 288.347 2.436 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1O ZINC000293052757 395216912 /nfs/dbraw/zinc/21/69/12/395216912.db2.gz RRHQFAPPKBDTGE-LRDDRELGSA-N 1 0 279.380 2.432 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H](C)O1 ZINC000296476809 395320404 /nfs/dbraw/zinc/32/04/04/395320404.db2.gz PTWWVQHUXKNQIE-CPUCHLNUSA-N 1 0 290.407 2.179 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H](CC(C)C)N(C)C)c1O ZINC000020201392 171065247 /nfs/dbraw/zinc/06/52/47/171065247.db2.gz BCQJSYLFBGMZAC-CQSZACIVSA-N 1 0 280.412 2.467 20 10 CECDRO CC(C)C[C@@H](C[NH2+]Cc1ccccc1O)N(C)C ZINC000020201263 171065265 /nfs/dbraw/zinc/06/52/65/171065265.db2.gz UEFTWVDFTSWMPN-AWEZNQCLSA-N 1 0 250.386 2.458 20 10 CECDRO O=C(c1cccc2c1CC[NH2+]C2)N1CCNc2ccccc21 ZINC000662779534 415960154 /nfs/dbraw/zinc/96/01/54/415960154.db2.gz KTOGLOQROPTMDM-UHFFFAOYSA-N 1 0 293.370 2.405 20 10 CECDRO COC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000037323362 260088151 /nfs/dbraw/zinc/08/81/51/260088151.db2.gz UGUYCYMMNWYSQT-UHFFFAOYSA-N 1 0 281.327 2.345 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)[C@H]1SC ZINC000298198598 260147538 /nfs/dbraw/zinc/14/75/38/260147538.db2.gz XQTMMHFBWKJNCI-UXIGCNINSA-N 1 0 297.420 2.399 20 10 CECDRO CCCNC(=O)C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000158329130 261163215 /nfs/dbraw/zinc/16/32/15/261163215.db2.gz FGVJEZUQCZJKQS-HNNXBMFYSA-N 1 0 277.412 2.320 20 10 CECDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Br)ccc1O ZINC000164322375 261348024 /nfs/dbraw/zinc/34/80/24/261348024.db2.gz KADQILYULBMEFG-IUCAKERBSA-N 1 0 288.185 2.261 20 10 CECDRO COc1cc(Cl)cc(C[NH+]2CCC(O)CC2)c1O ZINC000184674780 262026034 /nfs/dbraw/zinc/02/60/34/262026034.db2.gz BNTXVAGBEVPKCI-UHFFFAOYSA-N 1 0 271.744 2.011 20 10 CECDRO CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000184705980 262026699 /nfs/dbraw/zinc/02/66/99/262026699.db2.gz KIIJXCXVYWGDEP-CYBMUJFWSA-N 1 0 273.760 2.305 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c1 ZINC000185504756 262057008 /nfs/dbraw/zinc/05/70/08/262057008.db2.gz GQSGABZFUCWGEE-LSDHHAIUSA-N 1 0 292.423 2.320 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c(O)c1 ZINC000185505313 262057616 /nfs/dbraw/zinc/05/76/16/262057616.db2.gz CFFYKTKPCBHKPE-LSDHHAIUSA-N 1 0 292.423 2.320 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185511817 262057986 /nfs/dbraw/zinc/05/79/86/262057986.db2.gz PLIVAYKIDZMTGZ-MISXGVKJSA-N 1 0 269.410 2.464 20 10 CECDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185674165 262065959 /nfs/dbraw/zinc/06/59/59/262065959.db2.gz YSKWLTZHDGPNJF-MDZLAQPJSA-N 1 0 283.343 2.376 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000186089009 262078767 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CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368045722 267142119 /nfs/dbraw/zinc/14/21/19/267142119.db2.gz WEZUEGGVIYPXEM-DMEJVMROSA-N 1 0 288.391 2.429 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1 ZINC000368331502 267163244 /nfs/dbraw/zinc/16/32/44/267163244.db2.gz KALPXDXSFBDPDC-COMQUAJESA-N 1 0 288.391 2.361 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c(O)c1 ZINC000368334609 267163749 /nfs/dbraw/zinc/16/37/49/267163749.db2.gz WEOLCEVXZKTLFZ-HIFRSBDPSA-N 1 0 290.407 2.214 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000371310499 267385967 /nfs/dbraw/zinc/38/59/67/267385967.db2.gz LIQCONOOWRFZQO-OCCSQVGLSA-N 1 0 277.364 2.259 20 10 CECDRO COc1ccc(O)c(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000289141831 274114601 /nfs/dbraw/zinc/11/46/01/274114601.db2.gz AITCMVXTHRFBQN-BBRMVZONSA-N 1 0 290.407 2.459 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(C)cc1O ZINC000280054242 276533229 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CN(C)c1ccc(C[N@@H+]2CCN3CCC2CC3)cc1 ZINC000377702023 329025562 /nfs/dbraw/zinc/02/55/62/329025562.db2.gz TWDGLTFCZYFUMO-UHFFFAOYSA-N 1 0 259.397 2.033 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCOC[C@@H]1CC(=O)OC ZINC000377870265 329032546 /nfs/dbraw/zinc/03/25/46/329032546.db2.gz TYZUZSNTAKEOMM-JSGCOSHPSA-N 1 0 293.363 2.107 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCCNC2=O)c1O ZINC000378439507 329050241 /nfs/dbraw/zinc/05/02/41/329050241.db2.gz QMUMXFKZXQKEMX-CYBMUJFWSA-N 1 0 296.798 2.455 20 10 CECDRO COCCC[N@@H+]1CCCN(Cc2cccc(F)c2O)CC1 ZINC000378501418 329053376 /nfs/dbraw/zinc/05/33/76/329053376.db2.gz YRYUOXZNJQMRIU-UHFFFAOYSA-N 1 0 296.386 2.076 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc1F ZINC000378516644 329053942 /nfs/dbraw/zinc/05/39/42/329053942.db2.gz LVUVARXYFGRCHF-YOEHRIQHSA-N 1 0 291.414 2.418 20 10 CECDRO C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccccc1O ZINC000360001951 329069758 /nfs/dbraw/zinc/06/97/58/329069758.db2.gz WYRRLWHWEANGCZ-STQMWFEESA-N 1 0 286.379 2.055 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccccc1O ZINC000360001950 329069775 /nfs/dbraw/zinc/06/97/75/329069775.db2.gz WYRRLWHWEANGCZ-QWHCGFSZSA-N 1 0 286.379 2.055 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179952597 329213752 /nfs/dbraw/zinc/21/37/52/329213752.db2.gz DPQUQJHXDYDOLS-CYBMUJFWSA-N 1 0 266.772 2.326 20 10 CECDRO C[C@@H](C[NH2+]Cc1cc(F)ccc1O)N(C)C1CC1 ZINC000226607792 329262181 /nfs/dbraw/zinc/26/21/81/329262181.db2.gz XYWKXBZZPMCWSE-JTQLQIEISA-N 1 0 252.333 2.104 20 10 CECDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc2c(c1)CCO2 ZINC000527767089 330281772 /nfs/dbraw/zinc/28/17/72/330281772.db2.gz RWOPHOCPVFZMOH-XJKSGUPXSA-N 1 0 259.349 2.279 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC23CC(C2)CO3)c1 ZINC000527978356 330302227 /nfs/dbraw/zinc/30/22/27/330302227.db2.gz HTWBYJWOZFLXSH-NLTNOIMHSA-N 1 0 263.337 2.230 20 10 CECDRO CCC[C@@H](CCO)C[NH2+]Cc1cc(OC)ccc1O ZINC000224876578 333226919 /nfs/dbraw/zinc/22/69/19/333226919.db2.gz RXIRSTYMVCMMLA-LBPRGKRZSA-N 1 0 267.369 2.289 20 10 CECDRO CO[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000230299909 333316147 /nfs/dbraw/zinc/31/61/47/333316147.db2.gz AZSGMJQTWINAAZ-HNNXBMFYSA-N 1 0 279.336 2.122 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC[C@H](C)CO)c1 ZINC000230669734 333320290 /nfs/dbraw/zinc/32/02/90/333320290.db2.gz FCCDDBYQABVROY-RYUDHWBXSA-N 1 0 267.369 2.460 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1CCSC1 ZINC000230704055 333321372 /nfs/dbraw/zinc/32/13/72/333321372.db2.gz DQSDAXRIMGOEPG-AWEZNQCLSA-N 1 0 278.421 2.118 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C1Cc3ccccc3C1)OCO2 ZINC000231032127 333323707 /nfs/dbraw/zinc/32/37/07/333323707.db2.gz XXZQCNCSDVPKRQ-UHFFFAOYSA-N 1 0 283.327 2.378 20 10 CECDRO COc1ccc(O)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000378439142 534198810 /nfs/dbraw/zinc/19/88/10/534198810.db2.gz MJZGLTXWXLJNNB-OAHLLOKOSA-N 1 0 290.407 2.461 20 10 CECDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000279938386 519539679 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/nfs/dbraw/zinc/32/93/76/521329376.db2.gz FPKFAKUTASTQEA-UHFFFAOYSA-N 1 0 267.369 2.385 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000236732846 521689458 /nfs/dbraw/zinc/68/94/58/521689458.db2.gz KXJHTACQCRRAHQ-TZMCWYRMSA-N 1 0 276.380 2.258 20 10 CECDRO COc1c(O)c(C[N@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000278314660 521869280 /nfs/dbraw/zinc/86/92/80/521869280.db2.gz XHKJBWYNRNLDJY-UHFFFAOYSA-N 1 0 278.308 2.461 20 10 CECDRO CN(C)c1ccc(CNC(=O)CCCCCC[NH3+])cc1 ZINC000040825859 522188480 /nfs/dbraw/zinc/18/84/80/522188480.db2.gz GMIRGBFEEHFFQT-UHFFFAOYSA-N 1 0 277.412 2.278 20 10 CECDRO CC[C@H](CSC)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000163873219 522284463 /nfs/dbraw/zinc/28/44/63/522284463.db2.gz UMIGJSCYXXFRQN-SNVBAGLBSA-N 1 0 269.366 2.352 20 10 CECDRO COC[C@H](C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000045656220 522581929 /nfs/dbraw/zinc/58/19/29/522581929.db2.gz UIWNBNQOJSPKRQ-MNOVXSKESA-N 1 0 253.342 2.334 20 10 CECDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000281008370 522771394 /nfs/dbraw/zinc/77/13/94/522771394.db2.gz WODFLIGKHIKYOP-UHFFFAOYSA-N 1 0 277.364 2.300 20 10 CECDRO COC[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000125912561 522782557 /nfs/dbraw/zinc/78/25/57/522782557.db2.gz XSVUWNDNBAACJC-QGZVFWFLSA-N 1 0 292.423 2.116 20 10 CECDRO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc(C)c1O ZINC000274923151 523762054 /nfs/dbraw/zinc/76/20/54/523762054.db2.gz MSMYVFJGEUYBRV-FZMZJTMJSA-N 1 0 277.364 2.474 20 10 CECDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(F)ccc4O)[C@H]1[C@H]3C2 ZINC000289777726 523789566 /nfs/dbraw/zinc/78/95/66/523789566.db2.gz RNLBQEWWDFBERV-VSGLDEAGSA-N 1 0 277.339 2.387 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000290553975 524406454 /nfs/dbraw/zinc/40/64/54/524406454.db2.gz RZKVGAJYSBTRML-HNNXBMFYSA-N 1 0 288.391 2.145 20 10 CECDRO Cc1cccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000280370279 524410405 /nfs/dbraw/zinc/41/04/05/524410405.db2.gz DJSZNYLNNUBOJE-ZQIUZPCESA-N 1 0 291.391 2.469 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)[C@@H](CO)CC(C)C)c1 ZINC000290665332 524733603 /nfs/dbraw/zinc/73/36/03/524733603.db2.gz ZZQLGUSILLEQGX-CYBMUJFWSA-N 1 0 267.369 2.240 20 10 CECDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N(C)C1CC1 ZINC000297776136 524751839 /nfs/dbraw/zinc/75/18/39/524751839.db2.gz PLLHELHKQBBQFV-SMDDNHRTSA-N 1 0 260.381 2.452 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CCCO)c1 ZINC000094941815 524766690 /nfs/dbraw/zinc/76/66/90/524766690.db2.gz ANWWKFZPSRKPCU-GHMZBOCLSA-N 1 0 253.342 2.212 20 10 CECDRO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000120712569 525049824 /nfs/dbraw/zinc/04/98/24/525049824.db2.gz RAEMXINPJMEBBT-IUODEOHRSA-N 1 0 260.381 2.336 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)C[S@](C)=O)cc1C ZINC000131074392 525313778 /nfs/dbraw/zinc/31/37/78/525313778.db2.gz KBHPJRDWIARFGC-KZULUSFZSA-N 1 0 269.410 2.208 20 10 CECDRO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccnc1 ZINC000042879456 525515507 /nfs/dbraw/zinc/51/55/07/525515507.db2.gz 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ISJDKYUSOWLMLF-XJKSGUPXSA-N 1 0 290.407 2.289 20 10 CECDRO CC1=NO[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000895300878 630090574 /nfs/dbraw/zinc/09/05/74/630090574.db2.gz WJYLGAAWFYLJEE-OAHLLOKOSA-N 1 0 261.369 2.315 20 10 CECDRO CC1=NO[C@H](C[NH2+]Cc2ccc(N(C)C)cc2C)C1 ZINC000895300877 630090822 /nfs/dbraw/zinc/09/08/22/630090822.db2.gz WJYLGAAWFYLJEE-HNNXBMFYSA-N 1 0 261.369 2.315 20 10 CECDRO CC[C@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1O ZINC000797071306 630123789 /nfs/dbraw/zinc/12/37/89/630123789.db2.gz RFDUDFZXJYRDEU-YPMHNXCESA-N 1 0 297.420 2.399 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c1O ZINC000895375472 630151954 /nfs/dbraw/zinc/15/19/54/630151954.db2.gz BRHUKEBJDQDNLB-OCCSQVGLSA-N 1 0 279.380 2.160 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1O ZINC000895441161 630192536 /nfs/dbraw/zinc/19/25/36/630192536.db2.gz YBQKFYSEDDVSIZ-NTZNESFSSA-N 1 0 265.353 2.365 20 10 CECDRO OC[C@H](C[NH2+]Cc1cc(F)ccc1O)Cc1ccoc1 ZINC000895590536 630268053 /nfs/dbraw/zinc/26/80/53/630268053.db2.gz HALUINQOCSCNQK-LBPRGKRZSA-N 1 0 279.311 2.065 20 10 CECDRO COc1cccc(O)c1CN1CCC(C)([NH+]2CCC2)CC1 ZINC000895671957 630300450 /nfs/dbraw/zinc/30/04/50/630300450.db2.gz RTRCZUVYSLYCAR-UHFFFAOYSA-N 1 0 290.407 2.461 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CC3(CCC3)CO2)c1 ZINC000895791893 630346839 /nfs/dbraw/zinc/34/68/39/630346839.db2.gz VUBAOEFPBBVAGS-AWEZNQCLSA-N 1 0 277.364 2.450 20 10 CECDRO CC1(C)CC[C@H](CO)[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000895926115 630405837 /nfs/dbraw/zinc/40/58/37/630405837.db2.gz WIPKGIAAGHCFOO-GFCCVEGCSA-N 1 0 293.363 2.104 20 10 CECDRO Cc1nc([C@H]2CC[N@H+](Cc3cc(C)ccc3O)C2)no1 ZINC000896241065 630509634 /nfs/dbraw/zinc/50/96/34/630509634.db2.gz ULRWQOZIQHYFCC-LBPRGKRZSA-N 1 0 273.336 2.382 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)cc1F ZINC000896385311 630548956 /nfs/dbraw/zinc/54/89/56/630548956.db2.gz QTVGNZGRLMKGDU-CYBMUJFWSA-N 1 0 294.370 2.087 20 10 CECDRO COC(=O)C[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)C[C@H]1C 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COCCO[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000802652218 631440434 /nfs/dbraw/zinc/44/04/34/631440434.db2.gz ASJVPESJPQYLCM-HNNXBMFYSA-N 1 0 279.380 2.328 20 10 CECDRO Cc1nnc(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000897520939 631616257 /nfs/dbraw/zinc/61/62/57/631616257.db2.gz AZMHVQQDNXCDTP-AWEZNQCLSA-N 1 0 289.383 2.159 20 10 CECDRO COCC[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841751637 631669167 /nfs/dbraw/zinc/66/91/67/631669167.db2.gz IIZZJGHCFJJQLO-MWLCHTKSSA-N 1 0 273.760 2.094 20 10 CECDRO Cc1cc(O)c(CN2CC[NH2+]C[C@@](C)(F)C2)c(Cl)c1 ZINC000843124714 631736540 /nfs/dbraw/zinc/73/65/40/631736540.db2.gz FTSUZKIBKWOYSD-CQSZACIVSA-N 1 0 286.778 2.487 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[S@](=O)C(C)(C)CC2)c1 ZINC000322132670 631744403 /nfs/dbraw/zinc/74/44/03/631744403.db2.gz POQNXHQLQNZQNL-IBGZPJMESA-N 1 0 281.421 2.434 20 10 CECDRO C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843130008 631772835 /nfs/dbraw/zinc/77/28/35/631772835.db2.gz WODOWBATUACDEZ-HTQZYQBOSA-N 1 0 287.747 2.169 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@]2(C)CCNC2=O)cc1F ZINC000897873205 631954897 /nfs/dbraw/zinc/95/48/97/631954897.db2.gz YFAYRIKLCQQWPV-INIZCTEOSA-N 1 0 293.386 2.040 20 10 CECDRO Oc1ccccc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897981378 632003706 /nfs/dbraw/zinc/00/37/06/632003706.db2.gz KVODFIHLLCDFMY-UHFFFAOYSA-N 1 0 260.381 2.499 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c1O ZINC000808715815 632005028 /nfs/dbraw/zinc/00/50/28/632005028.db2.gz XNQXPRRAQAQMLA-ABAIWWIYSA-N 1 0 298.814 2.071 20 10 CECDRO Oc1ccccc1C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000898142132 632067955 /nfs/dbraw/zinc/06/79/55/632067955.db2.gz IZNBTLLRNKXEIG-SJLPKXTDSA-N 1 0 283.371 2.428 20 10 CECDRO OCCc1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1 ZINC000898172598 632080726 /nfs/dbraw/zinc/08/07/26/632080726.db2.gz QHDJBMILHXFQNE-UHFFFAOYSA-N 1 0 283.371 2.446 20 10 CECDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000840179325 632093915 /nfs/dbraw/zinc/09/39/15/632093915.db2.gz ALEDMKATFAEJNE-QMTHXVAHSA-N 1 0 277.364 2.438 20 10 CECDRO CCOc1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)c(O)c1 ZINC000809743649 632136186 /nfs/dbraw/zinc/13/61/86/632136186.db2.gz YPKNTXDJYXQXAT-LBPRGKRZSA-N 1 0 293.285 2.194 20 10 CECDRO Cc1ncccc1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000898256579 632151413 /nfs/dbraw/zinc/15/14/13/632151413.db2.gz CWRKPIYDZLUONQ-UHFFFAOYSA-N 1 0 286.331 2.157 20 10 CECDRO C[C@@]1(O)C[C@H]([NH2+]Cc2ccc(Br)cc2O)C1 ZINC000826130637 635764832 /nfs/dbraw/zinc/76/48/32/635764832.db2.gz KLIBPUKIMKXHDQ-KLPPZKSPSA-N 1 0 286.169 2.158 20 10 CECDRO CCO[C@@H](C[NH2+][C@@H](C)c1ccccc1O)CN(C)C ZINC000926965948 632395925 /nfs/dbraw/zinc/39/59/25/632395925.db2.gz UFPNAYZNYLBCCS-STQMWFEESA-N 1 0 266.385 2.010 20 10 CECDRO COc1cccc(C[NH2+]CCOC2CCSCC2)c1O ZINC000898442302 632500897 /nfs/dbraw/zinc/50/08/97/632500897.db2.gz LXTXVFMRUGOSGY-UHFFFAOYSA-N 1 0 297.420 2.403 20 10 CECDRO COCC[C@H]1COCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000812299619 632505773 /nfs/dbraw/zinc/50/57/73/632505773.db2.gz ODASZFGSPKFJOE-HNNXBMFYSA-N 1 0 279.380 2.246 20 10 CECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000898481011 632513287 /nfs/dbraw/zinc/51/32/87/632513287.db2.gz FXSRWRACVZFCRH-DOMZBBRYSA-N 1 0 289.375 2.443 20 10 CECDRO CCc1cccc(C[N@@H+]2CCCNC(=O)[C@@H]2CC)c1O ZINC000898559508 632537748 /nfs/dbraw/zinc/53/77/48/632537748.db2.gz NTPVUOKVDKRRFJ-AWEZNQCLSA-N 1 0 276.380 2.055 20 10 CECDRO C[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(N(C)C)cc1 ZINC000812835081 632591812 /nfs/dbraw/zinc/59/18/12/632591812.db2.gz LFGMWDFZGVNZOX-OAHLLOKOSA-N 1 0 291.439 2.126 20 10 CECDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)C2=CC(=O)CS2)C12CCC2 ZINC000898841620 632618013 /nfs/dbraw/zinc/61/80/13/632618013.db2.gz XUPXRUJIHZCYDT-NEPJUHHUSA-N 1 0 280.393 2.056 20 10 CECDRO COc1cccc(C[NH2+]CCO[C@H]2CCCCO2)c1O ZINC000813334041 632671668 /nfs/dbraw/zinc/67/16/68/632671668.db2.gz VLIJYPQQEZMSMA-AWEZNQCLSA-N 1 0 281.352 2.034 20 10 CECDRO Cc1cc(C[NH2+][C@H](CO)C(C)C)ccc1N(C)C ZINC000815085816 632956993 /nfs/dbraw/zinc/95/69/93/632956993.db2.gz DFKCUHOBELJERY-CQSZACIVSA-N 1 0 250.386 2.168 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)ccc1N(C)C ZINC000815120928 632963468 /nfs/dbraw/zinc/96/34/68/632963468.db2.gz PRXBQMLBVUJUKY-DOTOQJQBSA-N 1 0 273.424 2.197 20 10 CECDRO C[N@H+](CC(=O)NC1CC1)Cc1ccc2ccccc2c1O ZINC000816482595 633397403 /nfs/dbraw/zinc/39/74/03/633397403.db2.gz LXCJFBGAXGNRTH-UHFFFAOYSA-N 1 0 284.359 2.256 20 10 CECDRO Oc1c(C[N@@H+]2CCC3(C2)OCCO3)ccc2ccccc21 ZINC000816502545 633402233 /nfs/dbraw/zinc/40/22/33/633402233.db2.gz GJDMYQOIULKPRT-UHFFFAOYSA-N 1 0 285.343 2.494 20 10 CECDRO CC[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccccc1O ZINC000817410867 633651261 /nfs/dbraw/zinc/65/12/61/633651261.db2.gz IXXRLGHPKRAYJZ-GFCCVEGCSA-N 1 0 262.353 2.089 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000817415034 633653134 /nfs/dbraw/zinc/65/31/34/633653134.db2.gz RYKODHKWBHBXHV-CJNGLKHVSA-N 1 0 262.397 2.406 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c(O)c1 ZINC000817415461 633654875 /nfs/dbraw/zinc/65/48/75/633654875.db2.gz XGPVANFZKGAWLP-YPMHNXCESA-N 1 0 265.353 2.136 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000817415549 633655222 /nfs/dbraw/zinc/65/52/22/633655222.db2.gz UXMPSTKBCWZIKS-VXGBXAGGSA-N 1 0 279.336 2.168 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C[C@@H](O)CO)C(C)C)cc1 ZINC000817417488 633655811 /nfs/dbraw/zinc/65/58/11/633655811.db2.gz HOTPLOKSHQZWQY-QGZVFWFLSA-N 1 0 294.439 2.096 20 10 CECDRO CON1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000817419814 633656547 /nfs/dbraw/zinc/65/65/47/633656547.db2.gz YKOUMIMDWXAELY-UHFFFAOYSA-N 1 0 281.375 2.007 20 10 CECDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(F)c2[O-])C[C@@H]1C[NH3+] ZINC000817866286 633748163 /nfs/dbraw/zinc/74/81/63/633748163.db2.gz WWHDCIZOHXOKFR-MDZLAQPJSA-N 1 0 266.360 2.337 20 10 CECDRO [NH3+][C@@H]1CCC[C@@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000817887736 633751992 /nfs/dbraw/zinc/75/19/92/633751992.db2.gz DIRASLLKDDEQEU-CVEARBPZSA-N 1 0 291.464 2.209 20 10 CECDRO C[C@@H](NC1C[NH2+]C1)c1cccc(C(F)(F)F)c1O ZINC000817955799 633799557 /nfs/dbraw/zinc/79/95/57/633799557.db2.gz IDAZGIAJQNJOJE-SSDOTTSWSA-N 1 0 260.259 2.033 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)cc1[O-] ZINC000817964548 633806502 /nfs/dbraw/zinc/80/65/02/633806502.db2.gz CHXNDYQYBPDYRH-OLZOCXBDSA-N 1 0 252.333 2.309 20 10 CECDRO C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(F)cc(F)c1[O-] ZINC000817967374 633810453 /nfs/dbraw/zinc/81/04/53/633810453.db2.gz GQJRVTHGGXOJPL-VIFPVBQESA-N 1 0 268.307 2.241 20 10 CECDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1[O-] ZINC000817970507 633813175 /nfs/dbraw/zinc/81/31/75/633813175.db2.gz XTVNDIYGVURCKF-DLOVCJGASA-N 1 0 252.333 2.452 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)cc1[O-] ZINC000817970508 633814438 /nfs/dbraw/zinc/81/44/38/633814438.db2.gz XTVNDIYGVURCKF-MVWJERBFSA-N 1 0 252.333 2.452 20 10 CECDRO COC[C@]1(CN[C@H](C)c2ccc(C)cc2O)CCC[NH2+]1 ZINC000817974198 633816678 /nfs/dbraw/zinc/81/66/78/633816678.db2.gz JIBZNEXUEWTQQY-CZUORRHYSA-N 1 0 278.396 2.120 20 10 CECDRO CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(Cl)c1[O-] ZINC000817977730 633821641 /nfs/dbraw/zinc/82/16/41/633821641.db2.gz NTGHMKRVJGYGJE-JULQROHOSA-N 1 0 266.772 2.304 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc1F ZINC000818985075 634029374 /nfs/dbraw/zinc/02/93/74/634029374.db2.gz MWEIORRUABRMTE-JTQLQIEISA-N 1 0 294.292 2.295 20 10 CECDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503341 634933035 /nfs/dbraw/zinc/93/30/35/634933035.db2.gz GKINBRQFBMKPDC-LLVKDONJSA-N 1 0 292.770 2.474 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2C)c1O ZINC000903300117 635047548 /nfs/dbraw/zinc/04/75/48/635047548.db2.gz GSTGLWZYBYJBGJ-GMXVVIOVSA-N 1 0 264.369 2.144 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccccc1O ZINC000903387308 635098390 /nfs/dbraw/zinc/09/83/90/635098390.db2.gz GRTFNBYKOWNZSE-SWLSCSKDSA-N 1 0 277.364 2.381 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC[C@H](O)C2CC2)c1O ZINC000903410188 635104573 /nfs/dbraw/zinc/10/45/73/635104573.db2.gz DPFKPQNIAVOLFT-MFKMUULPSA-N 1 0 265.353 2.212 20 10 CECDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000903400231 635109646 /nfs/dbraw/zinc/10/96/46/635109646.db2.gz NJSRZTPBDVTWIP-JKIFEVAISA-N 1 0 290.407 2.209 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@H]3CC[C@]32C[NH3+])c1O ZINC000903853981 635304586 /nfs/dbraw/zinc/30/45/86/635304586.db2.gz IDCUYGKVVHMFAO-WBMJQRKESA-N 1 0 292.354 2.047 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]3CC[C@@]32C[NH3+])c1O ZINC000903853976 635304668 /nfs/dbraw/zinc/30/46/68/635304668.db2.gz IDCUYGKVVHMFAO-BLLLJJGKSA-N 1 0 292.354 2.047 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2O)CCO1 ZINC000824320394 635404321 /nfs/dbraw/zinc/40/43/21/635404321.db2.gz HAKSOTMPBAUVTE-CHWSQXEVSA-N 1 0 265.353 2.448 20 10 CECDRO OCC[N@H+](Cc1ccc(Br)cc1O)C1CC1 ZINC000824560112 635451412 /nfs/dbraw/zinc/45/14/12/635451412.db2.gz AMWJDKCUXJZAQU-UHFFFAOYSA-N 1 0 286.169 2.111 20 10 CECDRO CCCC[N@H+](CC(N)=O)Cc1cc(Cl)c(C)cc1O ZINC000824593298 635458774 /nfs/dbraw/zinc/45/87/74/635458774.db2.gz NWVYSGXYAWBKGN-UHFFFAOYSA-N 1 0 284.787 2.441 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CO)C2)cc1Cl ZINC000824655837 635471006 /nfs/dbraw/zinc/47/10/06/635471006.db2.gz AOXGZARJNWSCSB-SNVBAGLBSA-N 1 0 255.745 2.168 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(O)C2)cc1Cl ZINC000824905940 635521308 /nfs/dbraw/zinc/52/13/08/635521308.db2.gz JHOLOORKUQFKRS-CYBMUJFWSA-N 1 0 255.745 2.311 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@](C)(O)C2)cc1Cl ZINC000824905941 635521842 /nfs/dbraw/zinc/52/18/42/635521842.db2.gz JHOLOORKUQFKRS-ZDUSSCGKSA-N 1 0 255.745 2.311 20 10 CECDRO CCCNC(=O)CC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825131558 635575680 /nfs/dbraw/zinc/57/56/80/635575680.db2.gz PQJBOEVQDVXMQT-UHFFFAOYSA-N 1 0 284.787 2.360 20 10 CECDRO COCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCC1 ZINC000825245429 635598100 /nfs/dbraw/zinc/59/81/00/635598100.db2.gz JZMIKDFISUGZNB-UHFFFAOYSA-N 1 0 293.363 2.417 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000825297381 635608296 /nfs/dbraw/zinc/60/82/96/635608296.db2.gz DDMDXVOBUWJONJ-ZYHUDNBSSA-N 1 0 296.798 2.488 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(N(CC)CC)c(F)c1)C(=O)NC ZINC000825315455 635614053 /nfs/dbraw/zinc/61/40/53/635614053.db2.gz AZXYAKPAAWZFCO-AWEZNQCLSA-N 1 0 295.402 2.286 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CCCN(C)C2=O)cc1Cl ZINC000825331726 635617951 /nfs/dbraw/zinc/61/79/51/635617951.db2.gz RHNIBEPUXRZRMJ-LBPRGKRZSA-N 1 0 282.771 2.064 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2(C(N)=O)CCCC2)cc1Cl ZINC000825425829 635636927 /nfs/dbraw/zinc/63/69/27/635636927.db2.gz LXBPDTLXZWXZAN-UHFFFAOYSA-N 1 0 296.798 2.489 20 10 CECDRO Cc1cc(O)c(CN[C@@H]2C[NH2+]CC2(C)C)c(Cl)c1 ZINC000904461146 635644859 /nfs/dbraw/zinc/64/48/59/635644859.db2.gz DXHVXJRUPRXMMI-CYBMUJFWSA-N 1 0 268.788 2.442 20 10 CECDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000825753066 635707834 /nfs/dbraw/zinc/70/78/34/635707834.db2.gz NHMOGBXBEWXMGJ-OAHLLOKOSA-N 1 0 296.798 2.312 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCC2(O)CCOCC2)cc1Cl ZINC000825886187 635728103 /nfs/dbraw/zinc/72/81/03/635728103.db2.gz NASSQLOYLSDDBS-UHFFFAOYSA-N 1 0 299.798 2.375 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])c2ncnn21 ZINC000826888590 635872588 /nfs/dbraw/zinc/87/25/88/635872588.db2.gz IWSBJGTVOUHZMX-LDYMZIIASA-N 1 0 278.743 2.433 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c1O ZINC000826889525 635872999 /nfs/dbraw/zinc/87/29/99/635872999.db2.gz WBSOIQGMPWFMJJ-ZWNOBZJWSA-N 1 0 272.352 2.342 20 10 CECDRO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H](C)[C@H]1O ZINC000827151449 636237211 /nfs/dbraw/zinc/23/72/11/636237211.db2.gz BIHPKJJCPPCDJN-MSRIBSCDSA-N 1 0 269.772 2.494 20 10 CECDRO CCOc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1O ZINC000827282799 636280021 /nfs/dbraw/zinc/28/00/21/636280021.db2.gz NICJETHUWHXDEM-CJNGLKHVSA-N 1 0 277.364 2.259 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c(Cl)c1 ZINC000827290465 636282416 /nfs/dbraw/zinc/28/24/16/636282416.db2.gz GTNAVZJEONUQTK-IINYFYTJSA-N 1 0 267.756 2.311 20 10 CECDRO OC[C@H](C[NH2+]Cc1cc(F)ccc1O)CC1CC1 ZINC000827358900 636305143 /nfs/dbraw/zinc/30/51/43/636305143.db2.gz GCLDOINCTVWXOO-NSHDSACASA-N 1 0 253.317 2.030 20 10 CECDRO C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1O ZINC000827972857 636475968 /nfs/dbraw/zinc/47/59/68/636475968.db2.gz AYZPMLQHZYLOLQ-UPJWGTAASA-N 1 0 276.380 2.442 20 10 CECDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000828539546 636624126 /nfs/dbraw/zinc/62/41/26/636624126.db2.gz PYHMEOAXEODIPM-TZMCWYRMSA-N 1 0 276.380 2.442 20 10 CECDRO Cc1cc(C[NH2+][C@H](C)[C@@H](C)CO)ccc1N(C)C ZINC000828846951 636698456 /nfs/dbraw/zinc/69/84/56/636698456.db2.gz YWMGNEIVOLDATO-QWHCGFSZSA-N 1 0 250.386 2.168 20 10 CECDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Cc1ccc(N)cc1 ZINC000828949824 636733812 /nfs/dbraw/zinc/73/38/12/636733812.db2.gz PGIUNBNZASISHE-OKILXGFUSA-N 1 0 289.423 2.190 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1ccc(N(C)C)cc1 ZINC000828960327 636736411 /nfs/dbraw/zinc/73/64/11/636736411.db2.gz UGDJWVNCQHFCLL-KBPBESRZSA-N 1 0 289.423 2.320 20 10 CECDRO C[C@H]1C[C@@H](C(=O)NCCCSc2nccs2)CC[NH2+]1 ZINC000829528127 636875272 /nfs/dbraw/zinc/87/52/72/636875272.db2.gz KURBGMMWCOJQGU-QWRGUYRKSA-N 1 0 299.465 2.130 20 10 CECDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N(C)C)cc1C ZINC000829764728 636924401 /nfs/dbraw/zinc/92/44/01/636924401.db2.gz VLIFOHZOSVAAQF-MRXNPFEDSA-N 1 0 277.412 2.195 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000876561667 650330222 /nfs/dbraw/zinc/33/02/22/650330222.db2.gz RCGTVGMZTGBZLO-UHFFFAOYSA-N 1 0 288.391 2.191 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCS2)c1 ZINC000149695607 637507165 /nfs/dbraw/zinc/50/71/65/637507165.db2.gz MGVZRQBGMGHHFC-GFCCVEGCSA-N 1 0 253.367 2.386 20 10 CECDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(N)cc1 ZINC000832250712 637526749 /nfs/dbraw/zinc/52/67/49/637526749.db2.gz ZFYIYFZLXUTBQP-CQSZACIVSA-N 1 0 261.369 2.472 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCC2CC2)cc1 ZINC000832274826 637531350 /nfs/dbraw/zinc/53/13/50/637531350.db2.gz ZGXORPZONXYMBR-HNNXBMFYSA-N 1 0 275.396 2.059 20 10 CECDRO CCCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284024 637532774 /nfs/dbraw/zinc/53/27/74/637532774.db2.gz GHWOQQWYFZNFDM-CQSZACIVSA-N 1 0 263.385 2.059 20 10 CECDRO CC(=O)NCC1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876636343 650369679 /nfs/dbraw/zinc/36/96/79/650369679.db2.gz UMGQIJFPUDUDON-UHFFFAOYSA-N 1 0 276.380 2.049 20 10 CECDRO C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834544577 637860205 /nfs/dbraw/zinc/86/02/05/637860205.db2.gz NWKGLKLCVFEBCF-FZMZJTMJSA-N 1 0 269.348 2.390 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CCCO)c(O)c1 ZINC000834850402 637970885 /nfs/dbraw/zinc/97/08/85/637970885.db2.gz LXWZMWNTEXMLOG-CABCVRRESA-N 1 0 292.423 2.198 20 10 CECDRO CCN1C[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1=O ZINC000834888909 637978619 /nfs/dbraw/zinc/97/86/19/637978619.db2.gz CXPRBYMGZVZZTN-HOSYDEDBSA-N 1 0 292.354 2.290 20 10 CECDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834897823 637981206 /nfs/dbraw/zinc/98/12/06/637981206.db2.gz WALZAWALRLJZGL-FZMZJTMJSA-N 1 0 271.364 2.334 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1O ZINC000834904743 637982688 /nfs/dbraw/zinc/98/26/88/637982688.db2.gz PRQQOTINSFLUJA-UXIGCNINSA-N 1 0 265.353 2.155 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c(O)c1 ZINC000834909630 637984946 /nfs/dbraw/zinc/98/49/46/637984946.db2.gz STKFABQJUNIZJT-BLLLJJGKSA-N 1 0 276.380 2.328 20 10 CECDRO COC(=O)[C@@H]1CCCN1C/C=C\c1ccc(N(C)C)cc1 ZINC000835025771 638028902 /nfs/dbraw/zinc/02/89/02/638028902.db2.gz NIAYNBGCVUVDPL-LEXSJLIMSA-N 1 0 288.391 2.403 20 10 CECDRO CCN(C)C(=O)[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835049130 638038794 /nfs/dbraw/zinc/03/87/94/638038794.db2.gz BRHMMOZDSCRCKX-HSBSLETESA-N 1 0 289.423 2.222 20 10 CECDRO Cc1cc(O)c(C[NH2+]C(C)(C)CN(C)C)cc1C ZINC000835071141 638047217 /nfs/dbraw/zinc/04/72/17/638047217.db2.gz WJZOINYXILPKQI-UHFFFAOYSA-N 1 0 250.386 2.439 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(O)c1 ZINC000876817882 650445140 /nfs/dbraw/zinc/44/51/40/650445140.db2.gz OHKSANDOZZQWKN-HUUCEWRRSA-N 1 0 288.391 2.191 20 10 CECDRO COCCOC[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164420064 639374464 /nfs/dbraw/zinc/37/44/64/639374464.db2.gz RJTOSHFBVOLVDC-OAHLLOKOSA-N 1 0 293.407 2.494 20 10 CECDRO CC[C@H](C)[NH2+]CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000057868796 639465757 /nfs/dbraw/zinc/46/57/57/639465757.db2.gz RGLWBZOWUKATMC-HNNXBMFYSA-N 1 0 291.439 2.205 20 10 CECDRO COc1ccc(N(C)C(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1 ZINC000876944478 650499463 /nfs/dbraw/zinc/49/94/63/650499463.db2.gz MCRUBXOEQATPHT-ZQNFCJTASA-N 1 0 274.364 2.214 20 10 CECDRO COc1ccc(N(C)C(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1 ZINC000876944477 650499532 /nfs/dbraw/zinc/49/95/32/650499532.db2.gz MCRUBXOEQATPHT-PRFOUVDFSA-N 1 0 274.364 2.214 20 10 CECDRO CC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000046058992 639500125 /nfs/dbraw/zinc/50/01/25/639500125.db2.gz ZEOAORKOWNWWEA-UHFFFAOYSA-N 1 0 289.423 2.195 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(C)cc1O ZINC000840825807 639553745 /nfs/dbraw/zinc/55/37/45/639553745.db2.gz MOTWYCXWAWUPDL-OCCSQVGLSA-N 1 0 276.380 2.268 20 10 CECDRO Cc1ccc(C[NH2+][C@H](CO)CC(F)(F)F)c(O)c1 ZINC000877124354 639572587 /nfs/dbraw/zinc/57/25/87/639572587.db2.gz VSEJAUXUFVHZHF-JTQLQIEISA-N 1 0 263.259 2.104 20 10 CECDRO CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000840889756 639575750 /nfs/dbraw/zinc/57/57/50/639575750.db2.gz VPOACBPSOJHZHK-CYBMUJFWSA-N 1 0 299.436 2.484 20 10 CECDRO CNC(=O)[C@H]1CCC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000840915167 639584431 /nfs/dbraw/zinc/58/44/31/639584431.db2.gz LTZWBTKPWVWQHR-NSHDSACASA-N 1 0 296.798 2.312 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)COCC(C)C ZINC000840930725 639590484 /nfs/dbraw/zinc/59/04/84/639590484.db2.gz OMCJAUNTQSCLAW-QGZVFWFLSA-N 1 0 294.439 2.184 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000840939071 639592935 /nfs/dbraw/zinc/59/29/35/639592935.db2.gz KFBUKRQVGVKLLK-MLGOLLRUSA-N 1 0 289.423 2.147 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1([S@@](C)=O)CC1 ZINC000840942380 639595422 /nfs/dbraw/zinc/59/54/22/639595422.db2.gz FNSIRXURJMZZBZ-LJQANCHMSA-N 1 0 280.437 2.062 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c1O ZINC000840954961 639600235 /nfs/dbraw/zinc/60/02/35/639600235.db2.gz NZOKOJLONUXNRT-OAHLLOKOSA-N 1 0 277.364 2.402 20 10 CECDRO Cc1cccc(C[NH+]2CC(CO)(c3ccccc3)C2)c1O ZINC000840970928 639604835 /nfs/dbraw/zinc/60/48/35/639604835.db2.gz YJBIHCSQVICYMH-UHFFFAOYSA-N 1 0 283.371 2.447 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000841025632 639620016 /nfs/dbraw/zinc/62/00/16/639620016.db2.gz DCGCTEUEOGFIKA-BBRMVZONSA-N 1 0 261.413 2.454 20 10 CECDRO COC1CCC([NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)CC1 ZINC000841044896 639631051 /nfs/dbraw/zinc/63/10/51/639631051.db2.gz FSJPQVYGTAZNJJ-BDVYOWHSSA-N 1 0 291.439 2.300 20 10 CECDRO CN(C)c1ccc([C@@H](N)C[NH2+]C2CCSCC2)cc1 ZINC000841044589 639631095 /nfs/dbraw/zinc/63/10/95/639631095.db2.gz DMUFHMZFVLEVOJ-HNNXBMFYSA-N 1 0 279.453 2.238 20 10 CECDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)NC(C)(C)C)c(O)c1 ZINC000876974071 650513602 /nfs/dbraw/zinc/51/36/02/650513602.db2.gz XKBKATYIDMPEFC-NSHDSACASA-N 1 0 264.369 2.093 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H](CN)C2CCCC2)cc1 ZINC000841086012 639652460 /nfs/dbraw/zinc/65/24/60/639652460.db2.gz FORZJTXALUHKMS-MRXNPFEDSA-N 1 0 261.413 2.360 20 10 CECDRO CCOCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000228677302 639652478 /nfs/dbraw/zinc/65/24/78/639652478.db2.gz MLCFXCWLVQMKCA-UHFFFAOYSA-N 1 0 259.733 2.180 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCN2CCCC2)c1O ZINC000228677104 639652847 /nfs/dbraw/zinc/65/28/47/639652847.db2.gz BXFGWGRGULAWIG-UHFFFAOYSA-N 1 0 284.787 2.240 20 10 CECDRO [NH3+]CC[C@H](NCc1c(O)cccc1Cl)C(F)(F)F ZINC000841089894 639653961 /nfs/dbraw/zinc/65/39/61/639653961.db2.gz BPSFNHBKEWAROA-JTQLQIEISA-N 1 0 282.693 2.415 20 10 CECDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000228943745 639665478 /nfs/dbraw/zinc/66/54/78/639665478.db2.gz YLCIWZVHQKIAKW-NXEZZACHSA-N 1 0 268.332 2.095 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CC1 ZINC000228949547 639666948 /nfs/dbraw/zinc/66/69/48/639666948.db2.gz ODLDMVFUABIEDL-NWDGAFQWSA-N 1 0 275.396 2.070 20 10 CECDRO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(C)cc1O ZINC000877000902 650527011 /nfs/dbraw/zinc/52/70/11/650527011.db2.gz XEGPJODWEQVGDS-UHFFFAOYSA-N 1 0 259.353 2.341 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc(Cl)cc1O ZINC000841746597 639856781 /nfs/dbraw/zinc/85/67/81/639856781.db2.gz IZLMYZCWCKKWIB-VHSXEESVSA-N 1 0 280.759 2.376 20 10 CECDRO C[C@@H]([NH2+]Cc1cnnn1C)c1ccc(Cl)cc1O ZINC000841757979 639859883 /nfs/dbraw/zinc/85/98/83/639859883.db2.gz QQHVONQMPBXDLN-MRVPVSSYSA-N 1 0 266.732 2.025 20 10 CECDRO COCC(COC)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841756881 639860243 /nfs/dbraw/zinc/86/02/43/639860243.db2.gz LBCFSRMXDWWCET-VIFPVBQESA-N 1 0 273.760 2.358 20 10 CECDRO COc1ccc(O)c(C[NH2+]C2CC(n3cccn3)C2)c1 ZINC000877035751 650541208 /nfs/dbraw/zinc/54/12/08/650541208.db2.gz JRXHVNDGXIFUGG-UHFFFAOYSA-N 1 0 273.336 2.091 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188831424 640021220 /nfs/dbraw/zinc/02/12/20/640021220.db2.gz KYQGWEAAYZBLKK-SKDRFNHKSA-N 1 0 255.745 2.296 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1C ZINC000842720788 640158837 /nfs/dbraw/zinc/15/88/37/640158837.db2.gz LZOICJDTNYNCIQ-CQSZACIVSA-N 1 0 290.407 2.498 20 10 CECDRO Cc1ccc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877075116 650561148 /nfs/dbraw/zinc/56/11/48/650561148.db2.gz IKHIAKFGSYBQNK-UHFFFAOYSA-N 1 0 292.379 2.410 20 10 CECDRO C[C@@H](C(=O)N(C)c1ccc(N)cc1)[NH+]1CCCCCC1 ZINC000877077621 650562069 /nfs/dbraw/zinc/56/20/69/650562069.db2.gz OXPPPHSWDHJBKF-ZDUSSCGKSA-N 1 0 275.396 2.496 20 10 CECDRO C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC[NH2+]CC1 ZINC000843044643 640250253 /nfs/dbraw/zinc/25/02/53/640250253.db2.gz DKYQHWGXNXFTDJ-UHFFFAOYSA-N 1 0 272.751 2.369 20 10 CECDRO Cc1cc(O)c(CN2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000843047710 640252996 /nfs/dbraw/zinc/25/29/96/640252996.db2.gz XJRZFZNPJQBWKE-SNVBAGLBSA-N 1 0 254.761 2.277 20 10 CECDRO Cc1cc(Br)c(O)c(CN(C)[C@H]2CC[NH2+]C2)c1 ZINC000843049164 640253701 /nfs/dbraw/zinc/25/37/01/640253701.db2.gz HDZBJEYFRNKPTH-NSHDSACASA-N 1 0 299.212 2.257 20 10 CECDRO CCOc1ccc(CN2CCC[C@H](C)[C@@H]2C[NH3+])c(O)c1 ZINC000843051957 640254356 /nfs/dbraw/zinc/25/43/56/640254356.db2.gz NDEPWYXZZKBUHU-WFASDCNBSA-N 1 0 278.396 2.350 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CC[C@@H]1[NH3+] ZINC000843052743 640255956 /nfs/dbraw/zinc/25/59/56/640255956.db2.gz SHKFXQWVRZXZSE-MFKMUULPSA-N 1 0 252.333 2.091 20 10 CECDRO Cc1cc(Br)c([O-])c(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000843124556 640290819 /nfs/dbraw/zinc/29/08/19/640290819.db2.gz BZIOFHGFUKKAEJ-UHFFFAOYSA-N 1 0 299.212 2.385 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CC[NH2+]C[C@@H]2C(F)F)cc1 ZINC000843124436 640291203 /nfs/dbraw/zinc/29/12/03/640291203.db2.gz AGRQTPWIJWHIIU-NHZBNJEXSA-N 1 0 295.377 2.305 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1O ZINC000152985396 640376449 /nfs/dbraw/zinc/37/64/49/640376449.db2.gz LTSHERLCTDRVPB-UPJWGTAASA-N 1 0 263.337 2.200 20 10 CECDRO CCN(C[C@H]1CC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000843357495 640400971 /nfs/dbraw/zinc/40/09/71/640400971.db2.gz NQPQCFSCIZBORF-LBPRGKRZSA-N 1 0 264.369 2.140 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2CC[NH2+][C@H](C)[C@@H]2C)c1O ZINC000843376860 640410655 /nfs/dbraw/zinc/41/06/55/640410655.db2.gz FGAJQTWYHRFXRO-ZJUUUORDSA-N 1 0 296.798 2.430 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843421457 640422979 /nfs/dbraw/zinc/42/29/79/640422979.db2.gz ZPMYHOBNDNCHFO-RISCZKNCSA-N 1 0 263.337 2.012 20 10 CECDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000843427334 640426427 /nfs/dbraw/zinc/42/64/27/640426427.db2.gz LIZNHIJEWXSQEK-MFKMUULPSA-N 1 0 255.333 2.418 20 10 CECDRO C[C@@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC[NH2+]1 ZINC000843489608 640441923 /nfs/dbraw/zinc/44/19/23/640441923.db2.gz IMUSQSFJBWEUOW-KRWDZBQOSA-N 1 0 288.391 2.029 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000877132448 650588099 /nfs/dbraw/zinc/58/80/99/650588099.db2.gz DTTHGRSOIUTWER-CYBMUJFWSA-N 1 0 277.364 2.476 20 10 CECDRO C[C@H]([NH3+])CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000844221073 640635594 /nfs/dbraw/zinc/63/55/94/640635594.db2.gz SIPLYYZMZWYJKL-AWEZNQCLSA-N 1 0 261.413 2.456 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccccc1O ZINC000844313054 640672744 /nfs/dbraw/zinc/67/27/44/640672744.db2.gz QKKDUXIMILIBRR-CMPLNLGQSA-N 1 0 276.336 2.026 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)C[C@H]2CCOC2)cc1 ZINC000844399895 640708397 /nfs/dbraw/zinc/70/83/97/640708397.db2.gz RSUDAJMUNSWVJW-CQSZACIVSA-N 1 0 278.396 2.100 20 10 CECDRO COC[C@@H](C)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844401309 640708689 /nfs/dbraw/zinc/70/86/89/640708689.db2.gz LGTRJEVTVPCEBL-CYBMUJFWSA-N 1 0 266.385 2.098 20 10 CECDRO COCCCC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844402479 640709232 /nfs/dbraw/zinc/70/92/32/640709232.db2.gz ZACQYZSEPRTTMY-UHFFFAOYSA-N 1 0 280.412 2.490 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](C)CCO)cc1 ZINC000844452636 640733203 /nfs/dbraw/zinc/73/32/03/640733203.db2.gz WZJWTBNKLHEMQL-ZDUSSCGKSA-N 1 0 250.386 2.345 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000154431087 640895963 /nfs/dbraw/zinc/89/59/63/640895963.db2.gz GWBRCBQEBQLKAU-AWEZNQCLSA-N 1 0 265.353 2.136 20 10 CECDRO [NH3+]CCCCCC(=O)NCCCSc1nccs1 ZINC000155075856 641073558 /nfs/dbraw/zinc/07/35/58/641073558.db2.gz DFMFPTGIPVCEQJ-UHFFFAOYSA-N 1 0 287.454 2.261 20 10 CECDRO CC[N@H+](Cc1cc(OC)c(OC)cc1O)[C@H]1CCCOC1 ZINC000846051622 641164177 /nfs/dbraw/zinc/16/41/77/641164177.db2.gz HMWCNSIEKJPOCL-ZDUSSCGKSA-N 1 0 295.379 2.410 20 10 CECDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)cc2)C1 ZINC000846046694 641164496 /nfs/dbraw/zinc/16/44/96/641164496.db2.gz NBFXHVLNRQOXNF-GASCZTMLSA-N 1 0 287.407 2.030 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)Cc2cncnc2)cc1 ZINC000846051659 641164791 /nfs/dbraw/zinc/16/47/91/641164791.db2.gz KCZDTPAOAWYCGA-UHFFFAOYSA-N 1 0 286.379 2.053 20 10 CECDRO COCCN1CC[N@H+](Cc2cccc(C)c2O)C(C)(C)C1 ZINC000846102277 641180538 /nfs/dbraw/zinc/18/05/38/641180538.db2.gz KWWXPUPHZUYBJS-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@]2(O)CCCOC2)cc1C ZINC000846109383 641183797 /nfs/dbraw/zinc/18/37/97/641183797.db2.gz HUUKGEMTSAJZGO-MRXNPFEDSA-N 1 0 279.380 2.030 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCSCCCO)c1O ZINC000846143357 641199207 /nfs/dbraw/zinc/19/92/07/641199207.db2.gz DZTWWFLHGCGDTH-LLVKDONJSA-N 1 0 285.409 2.167 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)CC(C)C)c1O ZINC000846142319 641199486 /nfs/dbraw/zinc/19/94/86/641199486.db2.gz RIJVZYVHZXWDKX-VXGBXAGGSA-N 1 0 267.369 2.458 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H](C)OC)c1O ZINC000846143640 641200247 /nfs/dbraw/zinc/20/02/47/641200247.db2.gz FKXQNPBCDNNDFM-GHMZBOCLSA-N 1 0 253.342 2.476 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCCOC2)c1O ZINC000846143575 641200571 /nfs/dbraw/zinc/20/05/71/641200571.db2.gz JPZBVYHWUHUFLD-NWDGAFQWSA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](CCO)CSC)c1O ZINC000846144533 641200588 /nfs/dbraw/zinc/20/05/88/641200588.db2.gz LCXJSAZIHXRUFM-WDEREUQCSA-N 1 0 285.409 2.165 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](CCO)C2CC2)c1O ZINC000846152654 641204145 /nfs/dbraw/zinc/20/41/45/641204145.db2.gz BNCMGDGBDYIBSM-MFKMUULPSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)CO[C@H]2CCOC2)c1O ZINC000846150906 641204624 /nfs/dbraw/zinc/20/46/24/641204624.db2.gz SVIYNGDIBDEYIP-AGIUHOORSA-N 1 0 295.379 2.245 20 10 CECDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846156000 641205380 /nfs/dbraw/zinc/20/53/80/641205380.db2.gz RKDQTBBVVCOCAY-VXGBXAGGSA-N 1 0 283.368 2.103 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)[C@H](C)OC)c1O ZINC000846162862 641208333 /nfs/dbraw/zinc/20/83/33/641208333.db2.gz CWNGTJZJWXWUBK-AXFHLTTASA-N 1 0 253.342 2.475 20 10 CECDRO CC[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(N(C)C)cc1 ZINC000846193854 641218736 /nfs/dbraw/zinc/21/87/36/641218736.db2.gz KTTQUKHOPRCZMU-SJORKVTESA-N 1 0 292.423 2.335 20 10 CECDRO C[C@@H]([NH2+][C@@H](CO)CCF)c1ccc(N(C)C)cc1 ZINC000846208774 641222927 /nfs/dbraw/zinc/22/29/27/641222927.db2.gz KZGRNKOEEXXRGW-DGCLKSJQSA-N 1 0 254.349 2.124 20 10 CECDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2O)CC1=O ZINC000846210273 641224759 /nfs/dbraw/zinc/22/47/59/641224759.db2.gz WVSPHYLSLOHCCI-QWHCGFSZSA-N 1 0 276.380 2.220 20 10 CECDRO Oc1ccc(N2CC[NH+](Cc3ccccc3O)CC2)cc1 ZINC000179552364 641364492 /nfs/dbraw/zinc/36/44/92/641364492.db2.gz XLYCMAPIGCTBKU-UHFFFAOYSA-N 1 0 284.359 2.420 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COCC(C)C)c1 ZINC000185116902 641938301 /nfs/dbraw/zinc/93/83/01/641938301.db2.gz JRIJOKSETXZEFT-KBPBESRZSA-N 1 0 281.396 2.385 20 10 CECDRO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000185330122 641966066 /nfs/dbraw/zinc/96/60/66/641966066.db2.gz PZZLYERLCPPSJP-GJZGRUSLSA-N 1 0 292.423 2.462 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)c1 ZINC000185433901 641978488 /nfs/dbraw/zinc/97/84/88/641978488.db2.gz FUOUVSUCZGVEPM-IAQYHMDHSA-N 1 0 267.369 2.458 20 10 CECDRO Cc1cccc(O)c1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000877409311 650710782 /nfs/dbraw/zinc/71/07/82/650710782.db2.gz PVJVCJOLFUOMEB-OAHLLOKOSA-N 1 0 271.360 2.394 20 10 CECDRO Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)c(O)c1 ZINC000877424823 650715756 /nfs/dbraw/zinc/71/57/56/650715756.db2.gz QCYNXICKHGBKIN-GFCCVEGCSA-N 1 0 278.396 2.436 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@](C)(CO)OC)cc1 ZINC000848558240 642051773 /nfs/dbraw/zinc/05/17/73/642051773.db2.gz KOVWHXWRBOLIQL-CZUORRHYSA-N 1 0 280.412 2.191 20 10 CECDRO COCC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000848566232 642057450 /nfs/dbraw/zinc/05/74/50/642057450.db2.gz ZWYNZRVORYFICU-UHFFFAOYSA-N 1 0 290.407 2.039 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)c(O)c1 ZINC000186048524 642059872 /nfs/dbraw/zinc/05/98/72/642059872.db2.gz OURVUZKTSGGDDQ-JSGCOSHPSA-N 1 0 276.380 2.361 20 10 CECDRO CCc1cccc(C[NH2+]CCCNC(=O)C2CCC2)c1O ZINC000848898239 642178359 /nfs/dbraw/zinc/17/83/59/642178359.db2.gz REWNKOIJMYDYPQ-UHFFFAOYSA-N 1 0 290.407 2.351 20 10 CECDRO CCc1nnc([C@@H](C)[NH2+]Cc2cccc(CC)c2O)[nH]1 ZINC000848901194 642179367 /nfs/dbraw/zinc/17/93/67/642179367.db2.gz WNKCAKVMKWIBKD-SNVBAGLBSA-N 1 0 274.368 2.486 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2CCN(CC(F)F)C2)c1O ZINC000848918365 642192040 /nfs/dbraw/zinc/19/20/40/642192040.db2.gz XEWPDWFHZNBRJE-ZDUSSCGKSA-N 1 0 284.350 2.384 20 10 CECDRO C[C@H](O)C[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000848928457 642199029 /nfs/dbraw/zinc/19/90/29/642199029.db2.gz DUQJCIBEVUSGHG-NSHDSACASA-N 1 0 266.360 2.237 20 10 CECDRO Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c(O)c1 ZINC000877465850 650731633 /nfs/dbraw/zinc/73/16/33/650731633.db2.gz YXJQBXWBQUOSMN-LSDHHAIUSA-N 1 0 289.375 2.271 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2O)[C@@H]1C ZINC000877466972 650732496 /nfs/dbraw/zinc/73/24/96/650732496.db2.gz UTBPCVCZWGPUJW-YPMHNXCESA-N 1 0 263.337 2.084 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H](C)CN1CCCCC1 ZINC000850028704 642546711 /nfs/dbraw/zinc/54/67/11/642546711.db2.gz QSLUDCXOCYYEMJ-ZDUSSCGKSA-N 1 0 278.396 2.365 20 10 CECDRO Cc1cnn(CC[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921703537 642550124 /nfs/dbraw/zinc/55/01/24/642550124.db2.gz ZFLNGAKZBGYCJU-UHFFFAOYSA-N 1 0 271.364 2.306 20 10 CECDRO Cc1ccc(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c(O)c1 ZINC000877516147 650760846 /nfs/dbraw/zinc/76/08/46/650760846.db2.gz BPNDSLXQLVCEHR-ZBFHGGJFSA-N 1 0 277.364 2.080 20 10 CECDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850099606 642578394 /nfs/dbraw/zinc/57/83/94/642578394.db2.gz PSUHUSOZUDXYKX-WCFLWFBJSA-N 1 0 294.370 2.179 20 10 CECDRO c1[nH]nc2c1C[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000921760208 642586433 /nfs/dbraw/zinc/58/64/33/642586433.db2.gz GAIUOVHSERLMBA-HNNXBMFYSA-N 1 0 283.375 2.382 20 10 CECDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC000877529382 650769644 /nfs/dbraw/zinc/76/96/44/650769644.db2.gz AZFMKFAITSWOBW-OAHLLOKOSA-N 1 0 288.391 2.145 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCCOC3)C2)cc1 ZINC000850346268 642675545 /nfs/dbraw/zinc/67/55/45/642675545.db2.gz DLNTYRRGFKDSOW-LSDHHAIUSA-N 1 0 290.407 2.290 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CO[C@H](C)C3)C2)cc1 ZINC000850347758 642675601 /nfs/dbraw/zinc/67/56/01/642675601.db2.gz WTDSCJJIGNQLBW-RDBSUJKOSA-N 1 0 276.380 2.041 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000850392648 642698579 /nfs/dbraw/zinc/69/85/79/642698579.db2.gz KWIMHZRGMPMARS-FVQHAEBGSA-N 1 0 272.392 2.411 20 10 CECDRO CCN1C[C@H](C)[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921832300 642705354 /nfs/dbraw/zinc/70/53/54/642705354.db2.gz JJWJUDWQDHLFOL-XJKSGUPXSA-N 1 0 274.408 2.441 20 10 CECDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1O)[C@H]1CCOC1 ZINC000850484399 642728637 /nfs/dbraw/zinc/72/86/37/642728637.db2.gz IIQHJWPFIYTGCI-DVOMOZLQSA-N 1 0 279.380 2.403 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3COC(C)(C)C3)C2)cc1 ZINC000850488467 642730010 /nfs/dbraw/zinc/73/00/10/642730010.db2.gz RXPQWMBENLBWJA-ZIAGYGMSSA-N 1 0 290.407 2.431 20 10 CECDRO CCOC[C@@H](C)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489960 642730703 /nfs/dbraw/zinc/73/07/03/642730703.db2.gz YWXYTHJGVNDUAK-ZIAGYGMSSA-N 1 0 278.396 2.289 20 10 CECDRO CC[C@@H](COC)[NH2+][C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489922 642730742 /nfs/dbraw/zinc/73/07/42/642730742.db2.gz YDLPUPXSBLVQLE-UONOGXRCSA-N 1 0 278.396 2.289 20 10 CECDRO C[N@H+](CCOCC(F)(F)F)Cc1ccccc1O ZINC000109769090 642924686 /nfs/dbraw/zinc/92/46/86/642924686.db2.gz HZYNXOKHRCGJNX-UHFFFAOYSA-N 1 0 263.259 2.403 20 10 CECDRO CC(C)[C@@H](CO)[NH2+]Cc1cccc(Br)c1[O-] ZINC000086120699 642977302 /nfs/dbraw/zinc/97/73/02/642977302.db2.gz BTIGHVCPEWUWCF-LLVKDONJSA-N 1 0 288.185 2.261 20 10 CECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877591551 650803984 /nfs/dbraw/zinc/80/39/84/650803984.db2.gz FSQFAUDJUUFDOO-MRXNPFEDSA-N 1 0 277.364 2.476 20 10 CECDRO COC(OC)[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000922314051 643021341 /nfs/dbraw/zinc/02/13/41/643021341.db2.gz XTEHDTMWJXVULS-FWWRYZNZSA-N 1 0 278.396 2.363 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(CO)CCC2)c1 ZINC000186547051 643144634 /nfs/dbraw/zinc/14/46/34/643144634.db2.gz ILDQBYPRGSZBHO-NSHDSACASA-N 1 0 265.353 2.214 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000877619797 650816774 /nfs/dbraw/zinc/81/67/74/650816774.db2.gz MSMINOAVZHZJKZ-UHFFFAOYSA-N 1 0 272.348 2.070 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000877627820 650820154 /nfs/dbraw/zinc/82/01/54/650820154.db2.gz WBOIBCZCABBDCC-GFCCVEGCSA-N 1 0 257.280 2.214 20 10 CECDRO Cc1cc(CC[NH2+]Cc2cc(C)ccc2O)nn1C ZINC000922687452 643203230 /nfs/dbraw/zinc/20/32/30/643203230.db2.gz BZPVQSORJJBMNP-UHFFFAOYSA-N 1 0 259.353 2.075 20 10 CECDRO CCO[C@H](CNCc1c(O)cccc1Cl)C[NH+](C)C ZINC000922757293 643247522 /nfs/dbraw/zinc/24/75/22/643247522.db2.gz DFARDQIIHJXALE-LLVKDONJSA-N 1 0 286.803 2.102 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2cc(OC)no2)c1 ZINC000877635433 650826804 /nfs/dbraw/zinc/82/68/04/650826804.db2.gz QSBAXTQNTCVQDL-UHFFFAOYSA-N 1 0 278.308 2.077 20 10 CECDRO COC[C@@H]([NH2+]Cc1cc(OC)ccc1O)C(C)C ZINC000086682629 643375696 /nfs/dbraw/zinc/37/56/96/643375696.db2.gz POHDSBCCBHGHTN-CYBMUJFWSA-N 1 0 253.342 2.161 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1O ZINC000852584968 643483075 /nfs/dbraw/zinc/48/30/75/643483075.db2.gz VVRVLWGNPYOLRN-KBPBESRZSA-N 1 0 293.338 2.127 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C1([C@@H]3CCCCO3)CC1)OCO2 ZINC000923027531 643519686 /nfs/dbraw/zinc/51/96/86/643519686.db2.gz MQGUOAQARUIYIL-HNNXBMFYSA-N 1 0 291.347 2.312 20 10 CECDRO Cc1cccc2c1N(C(=O)C=C1CC[NH2+]CC1)CC2 ZINC000852883908 643587972 /nfs/dbraw/zinc/58/79/72/643587972.db2.gz ASEJIZQXDPMBLL-UHFFFAOYSA-N 1 0 256.349 2.194 20 10 CECDRO Cc1ccc2c(c1)CCN2C(=O)C=C1CC[NH2+]CC1 ZINC000852885562 643588581 /nfs/dbraw/zinc/58/85/81/643588581.db2.gz XXUJTSDOHUSFNT-UHFFFAOYSA-N 1 0 256.349 2.194 20 10 CECDRO Cc1cc(CN(C2CC2)[C@H]2CC[NH2+]C2)ccc1N(C)C ZINC000923329418 643661393 /nfs/dbraw/zinc/66/13/93/643661393.db2.gz IRSYWAYQPFQGRC-INIZCTEOSA-N 1 0 273.424 2.387 20 10 CECDRO CCN(CC)c1ccc(CNCC23CC(C2)C[NH2+]3)cc1 ZINC000853247164 643721376 /nfs/dbraw/zinc/72/13/76/643721376.db2.gz FHBVXEBKOXPDDY-UHFFFAOYSA-N 1 0 273.424 2.374 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)[C@H](C)O)c1 ZINC000824921613 643789562 /nfs/dbraw/zinc/78/95/62/643789562.db2.gz OGKPWJUAWNVUQG-GXFFZTMASA-N 1 0 253.342 2.040 20 10 CECDRO Cc1cccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1O ZINC000877729519 650875242 /nfs/dbraw/zinc/87/52/42/650875242.db2.gz UXOGUJVCHCSASY-OAHLLOKOSA-N 1 0 291.391 2.376 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000839182219 644181444 /nfs/dbraw/zinc/18/14/44/644181444.db2.gz LRSHEGQAFDJBQL-HUUCEWRRSA-N 1 0 277.364 2.448 20 10 CECDRO COc1nccc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000877755868 650899073 /nfs/dbraw/zinc/89/90/73/650899073.db2.gz PMTOYCZZLBRARN-SNVBAGLBSA-N 1 0 259.309 2.042 20 10 CECDRO COc1ncncc1C[NH2+][C@H](C)c1ccccc1O ZINC000877755863 650899451 /nfs/dbraw/zinc/89/94/51/650899451.db2.gz PIRNKQMRUCDRSW-SNVBAGLBSA-N 1 0 259.309 2.042 20 10 CECDRO CNC(=O)C[N@H+](Cc1ccccc1)Cc1c(C)cccc1O ZINC000877772601 650904294 /nfs/dbraw/zinc/90/42/94/650904294.db2.gz KBHPULCYTLECMJ-UHFFFAOYSA-N 1 0 298.386 2.449 20 10 CECDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000877777756 650906843 /nfs/dbraw/zinc/90/68/43/650906843.db2.gz DOMXNWDMGLQXTR-CMPLNLGQSA-N 1 0 283.368 2.049 20 10 CECDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCS1 ZINC000754872644 644444058 /nfs/dbraw/zinc/44/40/58/644444058.db2.gz OBGCQBJWNZYXLB-HZMBPMFUSA-N 1 0 295.404 2.145 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c(O)c1 ZINC000877835173 650927740 /nfs/dbraw/zinc/92/77/40/650927740.db2.gz IYGBPQKKWOZGSM-ZDUSSCGKSA-N 1 0 279.380 2.384 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)cc1OC ZINC000877836064 650928632 /nfs/dbraw/zinc/92/86/32/650928632.db2.gz MAWJZCHBKCIFAS-GFCCVEGCSA-N 1 0 295.379 2.002 20 10 CECDRO CCOc1ccc(C[NH2+][C@]2(C)CCOC2)c(O)c1 ZINC000756040703 644597405 /nfs/dbraw/zinc/59/74/05/644597405.db2.gz BAKZXTSWDBFUBQ-CQSZACIVSA-N 1 0 251.326 2.060 20 10 CECDRO CC(=O)NCCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756371787 644637431 /nfs/dbraw/zinc/63/74/31/644637431.db2.gz MHDORTMMNUIRTA-SKDRFNHKSA-N 1 0 280.343 2.195 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COCC2CC2)c1 ZINC000756511935 644657354 /nfs/dbraw/zinc/65/73/54/644657354.db2.gz SLIALROZVLCBKW-JSGCOSHPSA-N 1 0 279.380 2.139 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1cc(Cl)ccc1O ZINC000756533535 644659946 /nfs/dbraw/zinc/65/99/46/644659946.db2.gz IOMJWCFLJDVCFQ-GXSJLCMTSA-N 1 0 254.761 2.400 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)c(O)c1C ZINC000756658530 644679827 /nfs/dbraw/zinc/67/98/27/644679827.db2.gz KSZOVJYQDYQOSJ-WCQYABFASA-N 1 0 299.436 2.483 20 10 CECDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000756731549 644687196 /nfs/dbraw/zinc/68/71/96/644687196.db2.gz CAWPDJSDTLJFIS-NEPJUHHUSA-N 1 0 283.368 2.103 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756731403 644687625 /nfs/dbraw/zinc/68/76/25/644687625.db2.gz ABWIPSRITWDOPL-WDEREUQCSA-N 1 0 271.332 2.233 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c1O ZINC000856792237 644726531 /nfs/dbraw/zinc/72/65/31/644726531.db2.gz LOTUOEOQUJTUAY-GXFFZTMASA-N 1 0 295.354 2.184 20 10 CECDRO CC(=O)c1cc(F)cc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857085805 644812864 /nfs/dbraw/zinc/81/28/64/644812864.db2.gz HTKUGHLCKXYJLU-MLGOLLRUSA-N 1 0 292.354 2.047 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCOCC2)c(O)c1 ZINC000757660049 644832650 /nfs/dbraw/zinc/83/26/50/644832650.db2.gz ZFYCLKMMDBKIJW-DOMZBBRYSA-N 1 0 279.380 2.139 20 10 CECDRO CCOc1ccc(C[N@H+](C)C[C@H](C)OC)c(O)c1 ZINC000809717941 644954995 /nfs/dbraw/zinc/95/49/95/644954995.db2.gz OQLVGZJSWOFXFD-NSHDSACASA-N 1 0 253.342 2.258 20 10 CECDRO Oc1ccccc1C[N@H+](CCF)C[C@@H]1CCCO1 ZINC000759347919 645015605 /nfs/dbraw/zinc/01/56/05/645015605.db2.gz OFGIFWUKUVEEES-ZDUSSCGKSA-N 1 0 253.317 2.343 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CC2=CCCOC2)cc1F ZINC000858163492 645078324 /nfs/dbraw/zinc/07/83/24/645078324.db2.gz DZRPISHTUVYVFK-UHFFFAOYSA-N 1 0 282.334 2.467 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1F ZINC000858191880 645085208 /nfs/dbraw/zinc/08/52/08/645085208.db2.gz DMUUFWCSVLDQGD-HUUCEWRRSA-N 1 0 296.361 2.424 20 10 CECDRO C[NH+](C)CC1(CNC(=O)C2=CC(=O)CS2)CCCC1 ZINC000760450404 645158718 /nfs/dbraw/zinc/15/87/18/645158718.db2.gz PRKIMXLINKTQLL-UHFFFAOYSA-N 1 0 282.409 2.306 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000858468184 645170533 /nfs/dbraw/zinc/17/05/33/645170533.db2.gz CNYSOVUMKGMPSJ-BBWFWOEESA-N 1 0 292.423 2.333 20 10 CECDRO Cc1ccc(O)c(CNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000858467814 645170914 /nfs/dbraw/zinc/17/09/14/645170914.db2.gz UOKGNCLNJHUAMH-ZDUSSCGKSA-N 1 0 293.411 2.229 20 10 CECDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(Cl)ccc1O ZINC000858545906 645197218 /nfs/dbraw/zinc/19/72/18/645197218.db2.gz WWMGQRLHTWZEBJ-ATZCPNFKSA-N 1 0 255.745 2.467 20 10 CECDRO COC(=O)CCC(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000762788115 645451502 /nfs/dbraw/zinc/45/15/02/645451502.db2.gz UPCGYVRJHVPARH-UHFFFAOYSA-N 1 0 269.316 2.353 20 10 CECDRO COC(=O)c1coc([C@@H](C)N(C)Cc2ccccc2O)n1 ZINC000878242145 651043440 /nfs/dbraw/zinc/04/34/40/651043440.db2.gz NGUZABDJHHCVAB-SNVBAGLBSA-N 1 0 290.319 2.360 20 10 CECDRO C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000765728637 645802575 /nfs/dbraw/zinc/80/25/75/645802575.db2.gz NOFQTORRCMGKMH-CABCVRRESA-N 1 0 291.439 2.124 20 10 CECDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](O)C(F)(F)F ZINC000765785706 645809375 /nfs/dbraw/zinc/80/93/75/645809375.db2.gz CRXVBHNQZJMXNA-BXKDBHETSA-N 1 0 293.285 2.192 20 10 CECDRO CC[C@H]([NH2+]C[C@](C)(O)COC)c1ccc(N(C)C)cc1 ZINC000765934132 645823610 /nfs/dbraw/zinc/82/36/10/645823610.db2.gz AEJSOKCIPLFTOE-HOTGVXAUSA-N 1 0 280.412 2.191 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768444589 646123992 /nfs/dbraw/zinc/12/39/92/646123992.db2.gz MNJANGOANKXSCW-XHDPSFHLSA-N 1 0 277.364 2.440 20 10 CECDRO CNC(=O)CCC[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768462960 646126328 /nfs/dbraw/zinc/12/63/28/646126328.db2.gz PKPONFLPHBXEGN-UHFFFAOYSA-N 1 0 290.407 2.229 20 10 CECDRO CCOc1ccc(C[N@H+](CC)CCC(=O)OC)c(O)c1 ZINC000768991814 646188497 /nfs/dbraw/zinc/18/84/97/646188497.db2.gz FWDRTLASWKLGMS-UHFFFAOYSA-N 1 0 281.352 2.176 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCS[C@H](C)C1 ZINC000769320677 646244181 /nfs/dbraw/zinc/24/41/81/646244181.db2.gz UFUWQYPJGLQMPM-SNVBAGLBSA-N 1 0 253.367 2.338 20 10 CECDRO CCOc1ccc(C[N@H+](C)[C@H]2CCN(C3CC3)C2)c(O)c1 ZINC000769325948 646245099 /nfs/dbraw/zinc/24/50/99/646245099.db2.gz DURQHGBXSZTRDB-HNNXBMFYSA-N 1 0 290.407 2.459 20 10 CECDRO CC[N@@H+]1C[C@H](C)N(Cc2cccc(OC)c2O)C[C@@H]1C ZINC000769465545 646272140 /nfs/dbraw/zinc/27/21/40/646272140.db2.gz HEBSJBBSLMAZPI-STQMWFEESA-N 1 0 278.396 2.315 20 10 CECDRO CC[N@@H+]1C[C@H](C)N(Cc2cc3c(cc2O)OCO3)C[C@@H]1C ZINC000769467830 646272278 /nfs/dbraw/zinc/27/22/78/646272278.db2.gz ZRGINNBMGHMFGP-RYUDHWBXSA-N 1 0 292.379 2.035 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)Cc1cccn1C ZINC000769468656 646273965 /nfs/dbraw/zinc/27/39/65/646273965.db2.gz NUMAHSVTHQEGOO-UHFFFAOYSA-N 1 0 260.337 2.371 20 10 CECDRO CCOC[C@@H]1CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000769531919 646283784 /nfs/dbraw/zinc/28/37/84/646283784.db2.gz FWVBUFOPKGXQBO-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO CN(C)c1cc(F)c(C[N@H+](CCO)CC2CC2)cc1F ZINC000862233717 646373304 /nfs/dbraw/zinc/37/33/04/646373304.db2.gz QYMIJTXODWJLLY-UHFFFAOYSA-N 1 0 284.350 2.235 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCSC[C@H]2CCO)c1 ZINC000770306619 646378080 /nfs/dbraw/zinc/37/80/80/646378080.db2.gz ZDOMHOLARBXKIL-CYBMUJFWSA-N 1 0 297.420 2.091 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCSC[C@@H]2CCO)cc1F ZINC000770308102 646378488 /nfs/dbraw/zinc/37/84/88/646378488.db2.gz YZOXISGQBHFUGQ-ZDUSSCGKSA-N 1 0 298.427 2.192 20 10 CECDRO C[C@H]1C[NH+](Cc2cc(F)c(N(C)C)cc2F)C[C@H](C)C1O ZINC000862414111 646449041 /nfs/dbraw/zinc/44/90/41/646449041.db2.gz MNQNGQCAOWZMIP-QWRGUYRKSA-N 1 0 298.377 2.480 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1F ZINC000862418256 646452417 /nfs/dbraw/zinc/45/24/17/646452417.db2.gz HRLAVEHNGAMZQG-WCQYABFASA-N 1 0 296.361 2.499 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC=C(C(=O)OC)C2)c1 ZINC000862464689 646469383 /nfs/dbraw/zinc/46/93/83/646469383.db2.gz GEUWQAZYSHCHET-ZDUSSCGKSA-N 1 0 291.347 2.142 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1OC ZINC000862529177 646484511 /nfs/dbraw/zinc/48/45/11/646484511.db2.gz HNHKMTZGACDCAR-GXTWGEPZSA-N 1 0 293.363 2.067 20 10 CECDRO CCc1cccc(C[N@@H+]2CCO[C@](C)(COC)C2)c1O ZINC000862552399 646496707 /nfs/dbraw/zinc/49/67/07/646496707.db2.gz XRTQNVFRVNJCNF-INIZCTEOSA-N 1 0 279.380 2.192 20 10 CECDRO Cc1ccc(O)c(CNC(=O)C2CC[NH+](C(C)C)CC2)c1 ZINC000862755749 646557293 /nfs/dbraw/zinc/55/72/93/646557293.db2.gz XERODVJOCOTWCU-UHFFFAOYSA-N 1 0 290.407 2.437 20 10 CECDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cc(C)ccc1O ZINC000862757496 646557396 /nfs/dbraw/zinc/55/73/96/646557396.db2.gz WLTYWHODOMAARG-GFCCVEGCSA-N 1 0 278.396 2.484 20 10 CECDRO COc1cc(Cl)cc(CN[C@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863485236 646740464 /nfs/dbraw/zinc/74/04/64/646740464.db2.gz WZAIUOALSRAKTD-SKDRFNHKSA-N 1 0 284.787 2.284 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCCC[C@]2(C)C(N)=O)cc1 ZINC000773838505 646779552 /nfs/dbraw/zinc/77/95/52/646779552.db2.gz KQONNAMTBFMYDY-QGZVFWFLSA-N 1 0 289.423 2.373 20 10 CECDRO CCN(C)c1ccc(CN2CCC[C@]23CCOC3=O)cc1 ZINC000773845905 646780143 /nfs/dbraw/zinc/78/01/43/646780143.db2.gz JSCVVKRNHJDAAN-QGZVFWFLSA-N 1 0 288.391 2.424 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CC[C@](O)(CC)C2)cc1 ZINC000773864743 646782190 /nfs/dbraw/zinc/78/21/90/646782190.db2.gz XRTDRLGLVKIJCX-MRXNPFEDSA-N 1 0 262.397 2.490 20 10 CECDRO Cc1noc(CCC[NH2+][C@H](C)c2ccccc2O)n1 ZINC000775130015 646926142 /nfs/dbraw/zinc/92/61/42/646926142.db2.gz KKWMRWNUIYWQEG-SNVBAGLBSA-N 1 0 261.325 2.367 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCOC[C@H]2CCCO2)c1 ZINC000775369986 646946224 /nfs/dbraw/zinc/94/62/24/646946224.db2.gz JQEPAPUWHBEDMP-GXTWGEPZSA-N 1 0 295.379 2.247 20 10 CECDRO CC[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[NH+](C)C ZINC000775409312 646951910 /nfs/dbraw/zinc/95/19/10/646951910.db2.gz DTXJWVIOCZPCNS-IUODEOHRSA-N 1 0 277.412 2.270 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(Cl)ccc1O ZINC000775500934 646960755 /nfs/dbraw/zinc/96/07/55/646960755.db2.gz MJLMXDUCKIMGIT-CMPLNLGQSA-N 1 0 282.771 2.317 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C(=O)NC)c1ccccc1O ZINC000775523916 646962746 /nfs/dbraw/zinc/96/27/46/646962746.db2.gz BAWQNVOWYZOJAP-IHRRRGAJSA-N 1 0 276.380 2.348 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)NC)c1ccccc1O ZINC000775523917 646963068 /nfs/dbraw/zinc/96/30/68/646963068.db2.gz BAWQNVOWYZOJAP-MELADBBJSA-N 1 0 276.380 2.348 20 10 CECDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)c1O ZINC000775674862 646979378 /nfs/dbraw/zinc/97/93/78/646979378.db2.gz MQYAXHKJNFOCBR-AWEZNQCLSA-N 1 0 277.364 2.428 20 10 CECDRO C[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000775834281 646997862 /nfs/dbraw/zinc/99/78/62/646997862.db2.gz MUAZSSHDCVXCCT-OCCSQVGLSA-N 1 0 276.380 2.356 20 10 CECDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1ccc(N2CCCC2)cc1 ZINC000864454732 647010361 /nfs/dbraw/zinc/01/03/61/647010361.db2.gz UBJMOPFMJIVIJS-DOMZBBRYSA-N 1 0 272.396 2.309 20 10 CECDRO CN(C)c1cc(F)c(CNc2[nH+]ccn2C)cc1F ZINC000865293111 647233677 /nfs/dbraw/zinc/23/36/77/647233677.db2.gz ZCHLMEXVIYHDOF-UHFFFAOYSA-N 1 0 266.295 2.376 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000779008344 647281040 /nfs/dbraw/zinc/28/10/40/647281040.db2.gz SWAQWQMIDGQODO-ZDUSSCGKSA-N 1 0 281.327 2.259 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2C[C@@H](CO)C2)ccc1OC ZINC000865662923 647412926 /nfs/dbraw/zinc/41/29/26/647412926.db2.gz NMNOYEWSSYAMTR-OTVXOJSOSA-N 1 0 279.380 2.092 20 10 CECDRO COc1cccc(C[NH2+][C@H]2C[C@H](SC)C2)c1O ZINC000865734352 647444791 /nfs/dbraw/zinc/44/47/91/647444791.db2.gz UOJJZZNXYUJDMT-XYPYZODXSA-N 1 0 253.367 2.384 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H](C)[C@H]2CCCOC2)cc1OC ZINC000780780324 647468416 /nfs/dbraw/zinc/46/84/16/647468416.db2.gz QAZALPJYVWRUPD-NEPJUHHUSA-N 1 0 295.379 2.314 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)C[C@@H](C)O)c1 ZINC000865871767 647514407 /nfs/dbraw/zinc/51/44/07/647514407.db2.gz GGWJAIMALUIGHQ-DGCLKSJQSA-N 1 0 267.369 2.430 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)C[C@@H](C)O)c1 ZINC000782977081 647667702 /nfs/dbraw/zinc/66/77/02/647667702.db2.gz ALDVEACWFXDSJP-WDEREUQCSA-N 1 0 253.342 2.040 20 10 CECDRO COCC[N@H+](Cc1cc2c(cc1O)CCC2)[C@H]1CCOC1 ZINC000782978131 647667713 /nfs/dbraw/zinc/66/77/13/647667713.db2.gz VEIXGBGMTPFTJS-INIZCTEOSA-N 1 0 291.391 2.118 20 10 CECDRO CCOC(=O)C1(C)CC([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000866298224 647722164 /nfs/dbraw/zinc/72/21/64/647722164.db2.gz VFTFCHILDVILDF-UHFFFAOYSA-N 1 0 293.363 2.222 20 10 CECDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccccc1O ZINC000783520002 647723984 /nfs/dbraw/zinc/72/39/84/647723984.db2.gz OFKYTAASNHPGRR-STQMWFEESA-N 1 0 275.348 2.487 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F)c1 ZINC000866463375 647795692 /nfs/dbraw/zinc/79/56/92/647795692.db2.gz NGQLYBXMURKFPW-SXMVTHIZSA-N 1 0 293.285 2.363 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CN(c3ccncn3)C2)c1 ZINC000866495639 647805771 /nfs/dbraw/zinc/80/57/71/647805771.db2.gz GFGFLKXTGUSMEE-LBPRGKRZSA-N 1 0 284.363 2.030 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CCCCO)c2c1c(F)ccc2O ZINC000786939682 648058340 /nfs/dbraw/zinc/05/83/40/648058340.db2.gz DZEFLXKQHLYTJX-GXSJLCMTSA-N 1 0 253.317 2.442 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCC2CS(=O)(=O)C2)c(O)c1C ZINC000786950785 648059762 /nfs/dbraw/zinc/05/97/62/648059762.db2.gz QTCDHGOXISQTKI-GFCCVEGCSA-N 1 0 297.420 2.094 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)[C@H]1C ZINC000787237369 648089213 /nfs/dbraw/zinc/08/92/13/648089213.db2.gz FURWTULQBKIRED-JSGCOSHPSA-N 1 0 277.364 2.392 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)c1O ZINC000787420299 648107508 /nfs/dbraw/zinc/10/75/08/648107508.db2.gz GFAYYFAZOWNGHQ-YPMHNXCESA-N 1 0 293.363 2.174 20 10 CECDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCC1)c1ccccc1O ZINC000868525761 648157936 /nfs/dbraw/zinc/15/79/36/648157936.db2.gz CMKXRBPAHGBOCT-LBPRGKRZSA-N 1 0 291.395 2.237 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1 ZINC000788379169 648177720 /nfs/dbraw/zinc/17/77/20/648177720.db2.gz UDLZGMXAUFUWMD-HNNXBMFYSA-N 1 0 292.423 2.162 20 10 CECDRO CC[C@@H]1[C@@H](C(=O)NCc2cc(Cl)ccc2O)CC[N@@H+]1C ZINC000869147807 648359740 /nfs/dbraw/zinc/35/97/40/648359740.db2.gz XHQSPHOADYKWJL-QWHCGFSZSA-N 1 0 296.798 2.392 20 10 CECDRO COc1ccc(C[NH2+]Cc2ncccc2O)cc1C ZINC000793258251 648732345 /nfs/dbraw/zinc/73/23/45/648732345.db2.gz IKEKKYZVCKAPPV-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000793287291 648736994 /nfs/dbraw/zinc/73/69/94/648736994.db2.gz XXDOOUPPVQGSHD-GFCCVEGCSA-N 1 0 296.798 2.394 20 10 CECDRO CCOc1cccc(C[NH2+]CC2(OC)CCOCC2)c1O ZINC000123091670 648790560 /nfs/dbraw/zinc/79/05/60/648790560.db2.gz RDCPWZLKYOXYIN-UHFFFAOYSA-N 1 0 295.379 2.076 20 10 CECDRO CSCC[C@H]([NH2+]Cc1cc(C)ccc1O)C(=O)N(C)C ZINC000808439151 648811417 /nfs/dbraw/zinc/81/14/17/648811417.db2.gz YJSBRIGZZJQTSB-ZDUSSCGKSA-N 1 0 296.436 2.000 20 10 CECDRO C[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccccc1O ZINC000870988013 648971201 /nfs/dbraw/zinc/97/12/01/648971201.db2.gz DAHAMODLMJZLMY-NTZNESFSSA-N 1 0 262.353 2.087 20 10 CECDRO CCCOc1ccc(C[NH2+]CC(=O)NCC)cc1C ZINC000873008612 649529702 /nfs/dbraw/zinc/52/97/02/649529702.db2.gz RTLUQGQBYOKQOD-UHFFFAOYSA-N 1 0 264.369 2.010 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@H]2CCCNC2=O)cc1C ZINC000873131529 649565931 /nfs/dbraw/zinc/56/59/31/649565931.db2.gz URTXYNBIWJVOLQ-OAHLLOKOSA-N 1 0 290.407 2.400 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@H](O)[C@H]2CCCO2)cc1C ZINC000873141739 649568250 /nfs/dbraw/zinc/56/82/50/649568250.db2.gz JUWBIQZZFZSKTO-DOTOQJQBSA-N 1 0 293.407 2.413 20 10 CECDRO [NH3+]C[C@@H]1CN(Cc2cccc(F)c2O)C[C@H]1C(F)(F)F ZINC000873226929 649598229 /nfs/dbraw/zinc/59/82/29/649598229.db2.gz ABMHWWKKIKRCJB-NXEZZACHSA-N 1 0 292.276 2.100 20 10 CECDRO C[C@@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)c1ccccc1O ZINC000879649684 651335196 /nfs/dbraw/zinc/33/51/96/651335196.db2.gz SJVNHSIQWOFTHG-QWHCGFSZSA-N 1 0 276.380 2.444 20 10 CECDRO CC(C)OCC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879650685 651335636 /nfs/dbraw/zinc/33/56/36/651335636.db2.gz NESDVBVVCLJNJQ-QWHCGFSZSA-N 1 0 267.369 2.219 20 10 CECDRO CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879653340 651336051 /nfs/dbraw/zinc/33/60/51/651336051.db2.gz OJJGDLXXJCJBLO-NEPJUHHUSA-N 1 0 264.369 2.204 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)CC(F)F)c(Cl)c1 ZINC000883103896 652364746 /nfs/dbraw/zinc/36/47/46/652364746.db2.gz IXHWQNRRKDKIKJ-MRVPVSSYSA-N 1 0 279.714 2.460 20 10 CECDRO CCOc1ccc(CNc2cc(CO)ccn2)c(O)c1 ZINC000883147934 652379022 /nfs/dbraw/zinc/37/90/22/652379022.db2.gz NZIRRXCYTKVENA-UHFFFAOYSA-N 1 0 274.320 2.290 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC23OCCO3)cc1F ZINC000883178737 652390649 /nfs/dbraw/zinc/39/06/49/652390649.db2.gz CYRIWKHJAJQRCK-HNNXBMFYSA-N 1 0 294.370 2.277 20 10 CECDRO OC[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccoc1 ZINC000883276177 652421588 /nfs/dbraw/zinc/42/15/88/652421588.db2.gz HDFGNWVTHYNBPT-UKRRQHHQSA-N 1 0 287.359 2.413 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@@H](COC)C2)c1 ZINC000883316729 652430342 /nfs/dbraw/zinc/43/03/42/652430342.db2.gz IUHTZMXEYVCUJX-BJHJDKERSA-N 1 0 265.353 2.306 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c(O)c1C ZINC000883374643 652448436 /nfs/dbraw/zinc/44/84/36/652448436.db2.gz KILLIAQMJITPGI-JHJVBQTASA-N 1 0 297.420 2.235 20 10 CECDRO COc1ccc(N2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000028231328 652506672 /nfs/dbraw/zinc/50/66/72/652506672.db2.gz VIMVGICKXAZKDC-IAGOWNOFSA-N 1 0 290.407 2.121 20 10 CECDRO Cc1cc(Br)cc(C[NH2+]CC[C@H](C)O)c1O ZINC000133209345 652613607 /nfs/dbraw/zinc/61/36/07/652613607.db2.gz KDIHXDMQXGBCEC-VIFPVBQESA-N 1 0 288.185 2.324 20 10 CECDRO CC(C)(C)NC(=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000134653620 652867846 /nfs/dbraw/zinc/86/78/46/652867846.db2.gz IDQKSBWTFKTEEG-UHFFFAOYSA-N 1 0 284.787 2.440 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000134987673 652900947 /nfs/dbraw/zinc/90/09/47/652900947.db2.gz QBHJSJFCKLSYBI-AWEZNQCLSA-N 1 0 279.286 2.494 20 10 CECDRO CCOc1cccc(C[NH2+]CC(C)(C)OC)c1O ZINC000135232767 652954187 /nfs/dbraw/zinc/95/41/87/652954187.db2.gz LUWKESPUTPCXPA-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO [NH3+]C[C@H]1CCCN1Cc1c(O)cccc1Br ZINC000706851983 802843259 /nfs/dbraw/zinc/84/32/59/802843259.db2.gz DWUHGXSOAVCCQO-SECBINFHSA-N 1 0 285.185 2.078 20 10 CECDRO Cc1c(O)ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1O ZINC001140746258 803513608 /nfs/dbraw/zinc/51/36/08/803513608.db2.gz XGWVDSSHQHOUKT-OAHLLOKOSA-N 1 0 290.407 2.466 20 10 CECDRO COC[C@H](CC[NH2+]Cc1c(O)cccc1Cl)OC ZINC000694291217 803527184 /nfs/dbraw/zinc/52/71/84/803527184.db2.gz XFWITMLHWPKTGU-JTQLQIEISA-N 1 0 273.760 2.187 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](C)C2)c(O)c1 ZINC001140850747 803583710 /nfs/dbraw/zinc/58/37/10/803583710.db2.gz SHCMOYWCVBKQPK-ZDUSSCGKSA-N 1 0 278.396 2.459 20 10 CECDRO CN1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2O)C1 ZINC000310553553 803649938 /nfs/dbraw/zinc/64/99/38/803649938.db2.gz XGYPCBJRJDHISV-LBPRGKRZSA-N 1 0 254.761 2.182 20 10 CECDRO CO[C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@@H]21 ZINC001141159017 803761134 /nfs/dbraw/zinc/76/11/34/803761134.db2.gz WAAIWSLAQZHCEN-DIOULYMOSA-N 1 0 277.364 2.345 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)NCC[C@H](C)[NH2+]C ZINC001117966143 814970951 /nfs/dbraw/zinc/97/09/51/814970951.db2.gz CDCIIHVCRWXEPO-ZDUSSCGKSA-N 1 0 293.411 2.312 20 10 CECDRO C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccccc1O ZINC000037152691 815017565 /nfs/dbraw/zinc/01/75/65/815017565.db2.gz QJKKOPVRHWEGAY-UNXYVOJBSA-N 1 0 262.353 2.087 20 10 CECDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC001118995635 815062960 /nfs/dbraw/zinc/06/29/60/815062960.db2.gz INKKJAQQKBVWLA-OAHLLOKOSA-N 1 0 288.391 2.499 20 10 CECDRO CN1CC[C@H]1C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000712572000 805387162 /nfs/dbraw/zinc/38/71/62/805387162.db2.gz LCSXVZXSSVECPF-INIZCTEOSA-N 1 0 259.397 2.081 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](C)C2(CO)CC2)c1O ZINC000696064988 807136280 /nfs/dbraw/zinc/13/62/80/807136280.db2.gz YATJUCLBBWOLFD-NSHDSACASA-N 1 0 265.353 2.042 20 10 CECDRO COc1cc(N(C)C)ccc1CN1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205075875 807387842 /nfs/dbraw/zinc/38/78/42/807387842.db2.gz PDRUDVRATWSXGR-WFASDCNBSA-N 1 0 277.412 2.073 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H](O)C(F)F)c1 ZINC000716775426 815146882 /nfs/dbraw/zinc/14/68/82/815146882.db2.gz VYEJFDXLUJQGQR-CABZTGNLSA-N 1 0 259.296 2.367 20 10 CECDRO Nc1ccc(C[NH2+][C@H]2CNc3ccccc3C2)cc1 ZINC001120269386 815209480 /nfs/dbraw/zinc/20/94/80/815209480.db2.gz RSBDCPXQGMCUIX-OAHLLOKOSA-N 1 0 253.349 2.395 20 10 CECDRO Oc1cccc(C[NH2+][C@H]2Cc3cccc(F)c3C2)c1O ZINC001171783190 815234924 /nfs/dbraw/zinc/23/49/24/815234924.db2.gz LMFVFKRWNCMAHB-LBPRGKRZSA-N 1 0 273.307 2.494 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2CC[C@]3(CCN(C)C3=O)C2)c1O ZINC001273049673 809183386 /nfs/dbraw/zinc/18/33/86/809183386.db2.gz ZMDKFQKPZMWZBB-QGZVFWFLSA-N 1 0 288.391 2.063 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206157182 815298764 /nfs/dbraw/zinc/29/87/64/815298764.db2.gz XATYWGWDJQKBJK-STQMWFEESA-N 1 0 282.359 2.052 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1)c1ccccc1O ZINC001172164510 815326348 /nfs/dbraw/zinc/32/63/48/815326348.db2.gz BIDDXRQBMDGASI-XQQFMLRXSA-N 1 0 274.364 2.196 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CCc1ccns1 ZINC000709915614 809975373 /nfs/dbraw/zinc/97/53/73/809975373.db2.gz LRTQLAKWAGTIIH-UHFFFAOYSA-N 1 0 252.314 2.320 20 10 CECDRO C[C@H](NC(=O)C[C@@H]([NH3+])C(C)(C)C)c1ccccc1O ZINC001122114474 815385511 /nfs/dbraw/zinc/38/55/11/815385511.db2.gz KCBYXADTFDEYQN-GXFFZTMASA-N 1 0 264.369 2.333 20 10 CECDRO Oc1ccc(CNc2ccc3c(c2)C[NH2+]C3)cc1O ZINC001169995319 811874789 /nfs/dbraw/zinc/87/47/89/811874789.db2.gz YTTVAEZIDDKTJK-UHFFFAOYSA-N 1 0 256.305 2.313 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN2C[C@H](O)C[C@H]2C)c1O ZINC000384957721 813125571 /nfs/dbraw/zinc/12/55/71/813125571.db2.gz RCWKPYKVBCRYOH-PRHODGIISA-N 1 0 283.755 2.203 20 10 CECDRO C[C@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000386111696 813153646 /nfs/dbraw/zinc/15/36/46/813153646.db2.gz LOBGNYIJJXMDJT-BBRMVZONSA-N 1 0 261.413 2.373 20 10 CECDRO Cc1nccn1CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000389076828 813247163 /nfs/dbraw/zinc/24/71/63/813247163.db2.gz ZGUXPZVQCRZTIO-ZDUSSCGKSA-N 1 0 257.337 2.174 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccnc(C)c2)c(O)c1 ZINC000391127579 813275292 /nfs/dbraw/zinc/27/52/92/813275292.db2.gz MBGPDAPJVVJYHB-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO CC[C@H]([NH2+][C@@H](CCOC)COC)c1ccccc1O ZINC000394096664 813335355 /nfs/dbraw/zinc/33/53/55/813335355.db2.gz RDWSQKCMTLFDNI-JSGCOSHPSA-N 1 0 267.369 2.484 20 10 CECDRO CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCOC1 ZINC000394312952 813374784 /nfs/dbraw/zinc/37/47/84/813374784.db2.gz DPRUTGPGPAHXTP-ZDUSSCGKSA-N 1 0 281.327 2.345 20 10 CECDRO CC[C@H]1CN(CC)CC[N@@H+]1Cc1cccc(OC)c1O ZINC000825004924 813807876 /nfs/dbraw/zinc/80/78/76/813807876.db2.gz AGWUGLSLCMXCMC-AWEZNQCLSA-N 1 0 278.396 2.317 20 10 CECDRO Oc1cc(O)c(C[NH+]2CC3(C2)CC(F)(F)C3)c(O)c1 ZINC001144499125 814090307 /nfs/dbraw/zinc/09/03/07/814090307.db2.gz ANODDNYQAGVUSY-UHFFFAOYSA-N 1 0 271.263 2.035 20 10 CECDRO COc1ccc(C[NH2+]CCNC(=O)c2ccco2)cc1C ZINC000043628848 814313792 /nfs/dbraw/zinc/31/37/92/814313792.db2.gz KKXBCWKJWAPLQI-UHFFFAOYSA-N 1 0 288.347 2.116 20 10 CECDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000712571654 814767099 /nfs/dbraw/zinc/76/70/99/814767099.db2.gz KPWIXYHJCGGUDQ-NWDGAFQWSA-N 1 0 264.369 2.146 20 10 CECDRO Oc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000713573529 814864387 /nfs/dbraw/zinc/86/43/87/814864387.db2.gz YCZKZSRIQGFJSF-CFVMTHIKSA-N 1 0 259.349 2.439 20 10 CECDRO Cc1cc(CN(C)CCC[NH+](C)C)ccc1N(C)C ZINC001139669775 815622939 /nfs/dbraw/zinc/62/29/39/815622939.db2.gz MTFFBHRYDBUBCU-UHFFFAOYSA-N 1 0 263.429 2.445 20 10 CECDRO C[C@@]1(O)CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138122595 815731202 /nfs/dbraw/zinc/73/12/02/815731202.db2.gz PAPOMOSAAHEWNJ-CQSZACIVSA-N 1 0 253.317 2.268 20 10 CECDRO Cc1c(C[N@@H+]2CC[C@]3(CCNC3=O)C2)c2ccccc2n1C ZINC001138254028 815754900 /nfs/dbraw/zinc/75/49/00/815754900.db2.gz OEWRHZVKTRGKLV-GOSISDBHSA-N 1 0 297.402 2.199 20 10 CECDRO Cc1c(C[NH+]2CCN(C3COC3)CC2)c2ccccc2n1C ZINC001138252892 815754967 /nfs/dbraw/zinc/75/49/67/815754967.db2.gz XESQVGBRACPGGE-UHFFFAOYSA-N 1 0 299.418 2.003 20 10 CECDRO Cc1c(C[N@@H+]2CCC3(C2)OCCO3)c2ccccc2n1C ZINC001138256578 815756328 /nfs/dbraw/zinc/75/63/28/815756328.db2.gz BMVSTISANHNBNV-UHFFFAOYSA-N 1 0 286.375 2.436 20 10 CECDRO Oc1c(C[NH+]2CCC2)cc2c3c1CCCN3CCC2 ZINC001138336815 815770204 /nfs/dbraw/zinc/77/02/04/815770204.db2.gz ZUMSWTPETWHCPF-UHFFFAOYSA-N 1 0 258.365 2.297 20 10 CECDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc2c(c1)CCCN2C ZINC001138356425 815774659 /nfs/dbraw/zinc/77/46/59/815774659.db2.gz NXUBSDAKCPCXCJ-CJNGLKHVSA-N 1 0 274.408 2.414 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2CO)c(OC)c1 ZINC001138386897 815785509 /nfs/dbraw/zinc/78/55/09/815785509.db2.gz ZLVHCSVRGGCJSH-MRXNPFEDSA-N 1 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KNXNFQLSGAFODS-INIZCTEOSA-N 1 0 277.364 2.394 20 10 CECDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140465688 816261576 /nfs/dbraw/zinc/26/15/76/816261576.db2.gz RISGFOQCTAYYPK-CABZTGNLSA-N 1 0 255.745 2.391 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H]3CN(C)C[C@@H]32)c1 ZINC001140622566 816306830 /nfs/dbraw/zinc/30/68/30/816306830.db2.gz ABHKKKREWFOEOY-ZFWWWQNUSA-N 1 0 260.381 2.227 20 10 CECDRO COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(C)ccc1O ZINC001140624290 816307561 /nfs/dbraw/zinc/30/75/61/816307561.db2.gz OVXCMMPGXKKFPL-ZLDLUXBVSA-N 1 0 275.348 2.227 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1O ZINC001140743838 816339871 /nfs/dbraw/zinc/33/98/71/816339871.db2.gz AXPVSKVWYDWYGD-SRVKXCTJSA-N 1 0 251.301 2.196 20 10 CECDRO Cc1c(O)ccc(C[N@H+](CCO)Cc2cccs2)c1O ZINC001140745905 816340358 /nfs/dbraw/zinc/34/03/58/816340358.db2.gz PQPRZVNOWYITMZ-UHFFFAOYSA-N 1 0 293.388 2.462 20 10 CECDRO CCOC1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140745536 816341553 /nfs/dbraw/zinc/34/15/53/816341553.db2.gz KAJPXWOEGOKHAA-UHFFFAOYSA-N 1 0 265.353 2.407 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c(O)c1 ZINC001140851004 816382194 /nfs/dbraw/zinc/38/21/94/816382194.db2.gz YBKUOEYFSQLJFC-BBRMVZONSA-N 1 0 292.423 2.441 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c(O)c1 ZINC001140850221 816382323 /nfs/dbraw/zinc/38/23/23/816382323.db2.gz HBGUCTFUJVFZFX-HIFRSBDPSA-N 1 0 296.386 2.143 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@]3(CCCO3)C2)c(OC)c1 ZINC001141026554 816449095 /nfs/dbraw/zinc/44/90/95/816449095.db2.gz UVDWXBPWPGJDDB-MRXNPFEDSA-N 1 0 293.363 2.164 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(OC)c1 ZINC001141029493 816451029 /nfs/dbraw/zinc/45/10/29/816451029.db2.gz UKTDDKJWRXMIDG-NHYWBVRUSA-N 1 0 293.363 2.020 20 10 CECDRO C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)CC1COC1 ZINC001141078510 816471597 /nfs/dbraw/zinc/47/15/97/816471597.db2.gz YTNQOBIHTSJNQU-UHFFFAOYSA-N 1 0 286.419 2.464 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3C[C@H]4CC[C@@H]3C4)ccc21 ZINC001141144300 816485264 /nfs/dbraw/zinc/48/52/64/816485264.db2.gz YXNJGJRMYNGREJ-GXTWGEPZSA-N 1 0 258.365 2.500 20 10 CECDRO CC[N@@H+]1CCN(Cc2ccc3c(c2)OCCN3C)C[C@H]1C ZINC001141146227 816487194 /nfs/dbraw/zinc/48/71/94/816487194.db2.gz PAGFQARKLOTSLI-CQSZACIVSA-N 1 0 289.423 2.041 20 10 CECDRO CCO[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159016 816489762 /nfs/dbraw/zinc/48/97/62/816489762.db2.gz VZOZKEAMQQDQGK-ZDUSSCGKSA-N 1 0 251.326 2.099 20 10 CECDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(O)ccc3O)C2)o1 ZINC001141161373 816492100 /nfs/dbraw/zinc/49/21/00/816492100.db2.gz QXECHUUMFWALRY-NSHDSACASA-N 1 0 289.335 2.169 20 10 CECDRO COC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000067254610 816512609 /nfs/dbraw/zinc/51/26/09/816512609.db2.gz OYFHRNWGRNGOFM-UHFFFAOYSA-N 1 0 292.379 2.324 20 10 CECDRO CN(C)C(=O)C1C[NH+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110834 816787005 /nfs/dbraw/zinc/78/70/05/816787005.db2.gz QNYKCSNXLKLEMX-UHFFFAOYSA-N 1 0 290.407 2.210 20 10 CECDRO CC[N@H+](CCC(N)=O)Cc1cccc(C(C)(C)C)c1O ZINC001143111107 816787061 /nfs/dbraw/zinc/78/70/61/816787061.db2.gz XTSDQJRMKKWTLA-UHFFFAOYSA-N 1 0 278.396 2.387 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCCCNC2=O)cc1C ZINC000123883955 365642630 /nfs/dbraw/zinc/64/26/30/365642630.db2.gz YJTHOYKWNHHCPF-AWEZNQCLSA-N 1 0 276.380 2.110 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2c[nH]nc2C)c1 ZINC000038011146 361979495 /nfs/dbraw/zinc/97/94/95/361979495.db2.gz KOWAWBLDQHRUTP-JTQLQIEISA-N 1 0 261.325 2.283 20 10 CECDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000038013626 361981208 /nfs/dbraw/zinc/98/12/08/361981208.db2.gz YKRZPQFRVKIPIC-NWDGAFQWSA-N 1 0 294.395 2.356 20 10 CECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(N)cc2)[C@H](C)C1 ZINC000178813973 344504197 /nfs/dbraw/zinc/50/41/97/344504197.db2.gz PRKORDDKENWPCD-CZUORRHYSA-N 1 0 289.423 2.000 20 10 CECDRO COCCCN(C)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185554217 344509518 /nfs/dbraw/zinc/50/95/18/344509518.db2.gz GBSNWUFLJYBKNE-LBPRGKRZSA-N 1 0 284.375 2.150 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)cc1C ZINC000052086461 362464803 /nfs/dbraw/zinc/46/48/03/362464803.db2.gz GJCNYLFJDXTQSP-HNNXBMFYSA-N 1 0 288.391 2.252 20 10 CECDRO CCOc1cccc(C[NH2+]C2(C)CCOCC2)c1O ZINC000131116055 366021801 /nfs/dbraw/zinc/02/18/01/366021801.db2.gz BCWZPOCBZHDDNN-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCO2)c1O ZINC000076274266 363532957 /nfs/dbraw/zinc/53/29/57/363532957.db2.gz WJWKBOPZOTXACV-NSHDSACASA-N 1 0 271.744 2.323 20 10 CECDRO CSC(C)(C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000135382493 366434015 /nfs/dbraw/zinc/43/40/15/366434015.db2.gz BEGWUQCIEAYZFS-UHFFFAOYSA-N 1 0 269.366 2.352 20 10 CECDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(N)cc1 ZINC000019271022 361524222 /nfs/dbraw/zinc/52/42/22/361524222.db2.gz LGOXKATXYDDPJD-CQSZACIVSA-N 1 0 289.423 2.192 20 10 CECDRO C[C@H]([NH2+]CCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000020550961 361583350 /nfs/dbraw/zinc/58/33/50/361583350.db2.gz CSNUVCYQFLZUMO-LBPRGKRZSA-N 1 0 266.360 2.459 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000091856602 364072653 /nfs/dbraw/zinc/07/26/53/364072653.db2.gz OSMDVLATOFAECT-DZGCQCFKSA-N 1 0 279.405 2.407 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)C[C@H](C)C(=O)OC)c1 ZINC000091987004 364073869 /nfs/dbraw/zinc/07/38/69/364073869.db2.gz DSTQUTFBICWCQH-NSHDSACASA-N 1 0 281.352 2.032 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cccc(OC)c2O)C[C@H](C)O1 ZINC000092487377 364077896 /nfs/dbraw/zinc/07/78/96/364077896.db2.gz MZLCGXNSFACEQF-WCQYABFASA-N 1 0 265.353 2.400 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@](C)(O)CC)c(O)c1 ZINC000111384886 364732814 /nfs/dbraw/zinc/73/28/14/364732814.db2.gz CNZQYCWUYQMFCK-OAHLLOKOSA-N 1 0 267.369 2.432 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC000245735191 370866193 /nfs/dbraw/zinc/86/61/93/370866193.db2.gz KORRKFBCILBXLX-JSGCOSHPSA-N 1 0 277.364 2.402 20 10 CECDRO CCCCC[N@H+](CCO)Cc1cc(OC)ccc1O ZINC000179667849 368346345 /nfs/dbraw/zinc/34/63/45/368346345.db2.gz ONDFQQZZMMTIMM-UHFFFAOYSA-N 1 0 267.369 2.385 20 10 CECDRO CC[C@@H]([NH2+]CCCOCCO)c1ccc(N(C)C)cc1 ZINC000180241392 368373423 /nfs/dbraw/zinc/37/34/23/368373423.db2.gz QLCBZUYXXSAMJQ-MRXNPFEDSA-N 1 0 280.412 2.192 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000180423770 368381230 /nfs/dbraw/zinc/38/12/30/368381230.db2.gz VWSSZXSXLHNZPL-OCCSQVGLSA-N 1 0 278.396 2.315 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCSCCCO)c(O)c1 ZINC000185379010 368799885 /nfs/dbraw/zinc/79/98/85/368799885.db2.gz MUAZMMMKOHOBDH-LBPRGKRZSA-N 1 0 269.410 2.467 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)ccc1OC ZINC000189328166 369498633 /nfs/dbraw/zinc/49/86/33/369498633.db2.gz NCCGSAJJAKZNGH-HZPDHXFCSA-N 1 0 293.407 2.481 20 10 CECDRO COc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1OC ZINC000190303859 369611719 /nfs/dbraw/zinc/61/17/19/369611719.db2.gz BACNIPWPZPGLST-DGCLKSJQSA-N 1 0 295.379 2.050 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])[C@@H]1CO ZINC000191179873 369688289 /nfs/dbraw/zinc/68/82/89/369688289.db2.gz HGRYPUCGNJFJLF-BXKDBHETSA-N 1 0 255.745 2.248 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c1O ZINC000191281799 369698059 /nfs/dbraw/zinc/69/80/59/369698059.db2.gz PDBJBAVLCVKFJN-UWVGGRQHSA-N 1 0 295.354 2.468 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+]C[C@H]1CCSC1 ZINC000226375177 370338533 /nfs/dbraw/zinc/33/85/33/370338533.db2.gz NJGORIMHNVBWSC-OAHLLOKOSA-N 1 0 292.448 2.366 20 10 CECDRO CCOc1cccc(C[NH2+]C(C)(C)[C@H](C)O)c1O ZINC000161139119 261238715 /nfs/dbraw/zinc/23/87/15/261238715.db2.gz DXMVTUKNALAPIX-JTQLQIEISA-N 1 0 253.342 2.040 20 10 CECDRO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(C)ccc3O)[C@@H]2C1 ZINC000247260912 371084856 /nfs/dbraw/zinc/08/48/56/371084856.db2.gz XQNCVYVCCLLOJH-INMHGKMJSA-N 1 0 291.391 2.469 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCc2nnc(N)cc2C1 ZINC000364627313 372775755 /nfs/dbraw/zinc/77/57/55/372775755.db2.gz DFLZKXPICYLVPF-AWEZNQCLSA-N 1 0 284.363 2.104 20 10 CECDRO COc1ccc(O)c([C@H](C)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000364638706 372778935 /nfs/dbraw/zinc/77/89/35/372778935.db2.gz SAHJMJZJFVWDOS-WOSRLPQWSA-N 1 0 290.407 2.488 20 10 CECDRO CC(C)[N@H+](CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000271038173 373084748 /nfs/dbraw/zinc/08/47/48/373084748.db2.gz MEOUIRYKCNEKRE-UHFFFAOYSA-N 1 0 254.349 2.094 20 10 CECDRO COc1cc(O)c(C[NH+]2CCC(OC)CC2)cc1OC ZINC000271090697 373111579 /nfs/dbraw/zinc/11/15/79/373111579.db2.gz KUFWCNVXRWLMPV-UHFFFAOYSA-N 1 0 281.352 2.020 20 10 CECDRO Nc1ccc(CC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1 ZINC000366933694 373129990 /nfs/dbraw/zinc/12/99/90/373129990.db2.gz LZOMJRHSXXLLAP-UHFFFAOYSA-N 1 0 299.349 2.235 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000367317274 373146558 /nfs/dbraw/zinc/14/65/58/373146558.db2.gz JIWFMQIRXFCWBB-XJKSGUPXSA-N 1 0 290.363 2.418 20 10 CECDRO CC(C)C(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000271456494 373193268 /nfs/dbraw/zinc/19/32/68/373193268.db2.gz WEXUVPDYGFASSX-UHFFFAOYSA-N 1 0 276.380 2.129 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CO)C2)c1O ZINC000271713268 373198325 /nfs/dbraw/zinc/19/83/25/373198325.db2.gz HUAGDXPADYLRPR-JTQLQIEISA-N 1 0 255.745 2.168 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000271874065 373203730 /nfs/dbraw/zinc/20/37/30/373203730.db2.gz YSSXWWJJDLESEH-CQSZACIVSA-N 1 0 293.363 2.176 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)Cc2ccccn2)c1 ZINC000273377776 373753686 /nfs/dbraw/zinc/75/36/86/373753686.db2.gz HDSIKIAHHQZDGB-UHFFFAOYSA-N 1 0 258.321 2.428 20 10 CECDRO C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(F)ccc1O ZINC000273478922 373759295 /nfs/dbraw/zinc/75/92/95/373759295.db2.gz LLYQEOFBYVYROF-WRWORJQWSA-N 1 0 281.249 2.495 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccccc1O ZINC000371684851 373947767 /nfs/dbraw/zinc/94/77/67/373947767.db2.gz HWDKZKIOBPISDL-ZYHUDNBSSA-N 1 0 257.337 2.323 20 10 CECDRO Cc1n[nH]c(C2CC[NH+](Cc3cc(F)ccc3O)CC2)n1 ZINC000371536440 373914449 /nfs/dbraw/zinc/91/44/49/373914449.db2.gz VAZHZFLUGMNIKD-UHFFFAOYSA-N 1 0 290.342 2.337 20 10 CECDRO CCCOc1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c(O)c1 ZINC000375286954 374648434 /nfs/dbraw/zinc/64/84/34/374648434.db2.gz LSLAZWUWXMRMKO-HNNXBMFYSA-N 1 0 277.364 2.138 20 10 CECDRO C[N@@H+]1CC[C@H]2CCN(Cc3cccc(F)c3O)C[C@H]21 ZINC000378488723 375114722 /nfs/dbraw/zinc/11/47/22/375114722.db2.gz BIFCYWKXWBFESD-SMDDNHRTSA-N 1 0 264.344 2.057 20 10 CECDRO C[C@H]1CCC[C@H]1[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000282062701 375399560 /nfs/dbraw/zinc/39/95/60/375399560.db2.gz MSCYQWVEDQHAPV-XJKSGUPXSA-N 1 0 289.423 2.147 20 10 CECDRO C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(F)ccc1O ZINC000282191892 375424722 /nfs/dbraw/zinc/42/47/22/375424722.db2.gz GGPDPOONOBVHNC-LZVRBXCZSA-N 1 0 271.357 2.093 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CSC[C@H]2C)c1O ZINC000285375254 375837522 /nfs/dbraw/zinc/83/75/22/375837522.db2.gz CMKCZLQYFQKBHU-KOLCDFICSA-N 1 0 253.367 2.242 20 10 CECDRO C[C@H]([NH2+]Cc1cnnn1C)c1cc2c(cc1O)CCCC2 ZINC000287475625 376242730 /nfs/dbraw/zinc/24/27/30/376242730.db2.gz WQROONMEVOZBDL-NSHDSACASA-N 1 0 286.379 2.250 20 10 CECDRO O=C(c1cn[nH]c1[C@@H]1CCC[NH2+]C1)N1CCc2ccccc21 ZINC000422909793 376861330 /nfs/dbraw/zinc/86/13/30/376861330.db2.gz GVKPUEOFJOYJBW-CYBMUJFWSA-N 1 0 296.374 2.080 20 10 CECDRO Cc1cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)ccc1N(C)C ZINC000294024857 377875471 /nfs/dbraw/zinc/87/54/71/377875471.db2.gz HQRGOZRLCSMHDJ-OAHLLOKOSA-N 1 0 262.397 2.264 20 10 CECDRO CN(C)c1ccc(CNCc2nnc(C3CC3)[nH]2)cc1F ZINC000294702822 378014298 /nfs/dbraw/zinc/01/42/98/378014298.db2.gz DBGSFEVEZBKEMW-UHFFFAOYSA-N 1 0 289.358 2.177 20 10 CECDRO COC[C@@H](O)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000294650401 378002606 /nfs/dbraw/zinc/00/26/06/378002606.db2.gz GSYYZPOKPBDWCJ-STQMWFEESA-N 1 0 267.369 2.057 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)ccc1N(C)C ZINC000294773586 378018768 /nfs/dbraw/zinc/01/87/68/378018768.db2.gz ZJSFYRZVJISFHY-UKRRQHHQSA-N 1 0 262.397 2.264 20 10 CECDRO COC1CCN(c2ccc(C[N@H+](C)C[C@@H](C)O)cc2)CC1 ZINC000295205877 378050489 /nfs/dbraw/zinc/05/04/89/378050489.db2.gz OGYPYTXBLDCFAS-CQSZACIVSA-N 1 0 292.423 2.114 20 10 CECDRO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(Br)cc1O ZINC000295906782 378350430 /nfs/dbraw/zinc/35/04/30/378350430.db2.gz IVBQDXXDKDEVHR-QNSHHTMESA-N 1 0 286.169 2.329 20 10 CECDRO COc1cc(O)c(C[NH2+][C@]23C[C@H]2COC3(C)C)cc1OC ZINC000529639920 380181426 /nfs/dbraw/zinc/18/14/26/380181426.db2.gz AFRKRMSNKAMBST-MEDUHNTESA-N 1 0 293.363 2.067 20 10 CECDRO CCOc1ccc(O)c(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC000530177131 380195993 /nfs/dbraw/zinc/19/59/93/380195993.db2.gz HAXCHDYDTKRNDY-HNNXBMFYSA-N 1 0 276.380 2.165 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[C@@H]2O)c1O ZINC000228675723 394476486 /nfs/dbraw/zinc/47/64/86/394476486.db2.gz AGAGCXADXKPLSI-SKDRFNHKSA-N 1 0 285.771 2.305 20 10 CECDRO CCCC[N@H+](CC(N)=O)Cc1ccc(OCCC)cc1O ZINC000132877500 394939120 /nfs/dbraw/zinc/93/91/20/394939120.db2.gz GFFAPRCTEUKNHN-UHFFFAOYSA-N 1 0 294.395 2.268 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000368333216 394984301 /nfs/dbraw/zinc/98/43/01/394984301.db2.gz QEYCVGUGITYNTD-HIFRSBDPSA-N 1 0 290.407 2.214 20 10 CECDRO C[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000134899627 394959724 /nfs/dbraw/zinc/95/97/24/394959724.db2.gz AUKPKTLUXGEFII-HTQZYQBOSA-N 1 0 274.158 2.186 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccccc1O ZINC000136421294 394970292 /nfs/dbraw/zinc/97/02/92/394970292.db2.gz LWWFFURTCGFQTQ-NEPJUHHUSA-N 1 0 262.353 2.054 20 10 CECDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000375857754 395101545 /nfs/dbraw/zinc/10/15/45/395101545.db2.gz DLMCWRSPLQSNSM-HZPDHXFCSA-N 1 0 288.391 2.368 20 10 CECDRO Oc1ccc(Br)cc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372369566 395040615 /nfs/dbraw/zinc/04/06/15/395040615.db2.gz UXBVKRDKPRRPGQ-GFCCVEGCSA-N 1 0 298.180 2.111 20 10 CECDRO CCC[C@@H]([NH3+])C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000178711635 395172502 /nfs/dbraw/zinc/17/25/02/395172502.db2.gz FCLPFQBKTOSLFB-OAHLLOKOSA-N 1 0 277.412 2.276 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)c1 ZINC000182435985 395241957 /nfs/dbraw/zinc/24/19/57/395241957.db2.gz ZYDGHQRSWPXDDU-SMDDNHRTSA-N 1 0 292.379 2.061 20 10 CECDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(O)c1O ZINC000182563169 395245736 /nfs/dbraw/zinc/24/57/36/395245736.db2.gz RAFQAVPHDPFSKE-VXGBXAGGSA-N 1 0 292.379 2.009 20 10 CECDRO Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)c(O)c1O ZINC000179482941 395195121 /nfs/dbraw/zinc/19/51/21/395195121.db2.gz JBNXLKVMWTYARL-UHFFFAOYSA-N 1 0 292.379 2.010 20 10 CECDRO CCCN(CC(=O)OC)Cc1cccc(C)c1O ZINC000183377284 395256692 /nfs/dbraw/zinc/25/66/92/395256692.db2.gz YOQRGRZUKIIHQX-UHFFFAOYSA-N 1 0 251.326 2.086 20 10 CECDRO CCOC(=O)[C@H](F)C1C[NH+](Cc2cccc(C)c2O)C1 ZINC000293951901 395259244 /nfs/dbraw/zinc/25/92/44/395259244.db2.gz PCDGVZLJITVOOH-CYBMUJFWSA-N 1 0 281.327 2.034 20 10 CECDRO Oc1ccc(F)cc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000293957588 395260304 /nfs/dbraw/zinc/26/03/04/395260304.db2.gz PQCYSGFDQBVRLI-AWEZNQCLSA-N 1 0 265.328 2.411 20 10 CECDRO C[N@H+](Cc1ccncc1)Cc1cc2c(cc1O)OCO2 ZINC000183747913 395262269 /nfs/dbraw/zinc/26/22/69/395262269.db2.gz RURLUOZPBMXVBT-UHFFFAOYSA-N 1 0 272.304 2.148 20 10 CECDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297820722 395348444 /nfs/dbraw/zinc/34/84/44/395348444.db2.gz RJVSAKZQPUDJRQ-DFBGVHRSSA-N 1 0 272.392 2.452 20 10 CECDRO COCCOCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000035628930 172308443 /nfs/dbraw/zinc/30/84/43/172308443.db2.gz BYHKQRVCMCVLCQ-ZDUSSCGKSA-N 1 0 267.369 2.404 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H]2CCCOC2)c1O ZINC000038044034 174051689 /nfs/dbraw/zinc/05/16/89/174051689.db2.gz NJLQHGVQVBGWPW-LBPRGKRZSA-N 1 0 265.353 2.307 20 10 CECDRO Cc1cc(C)cc(N(C)C(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)c1 ZINC000662522915 415874283 /nfs/dbraw/zinc/87/42/83/415874283.db2.gz GSKWIKINRHERGW-ZDUSSCGKSA-N 1 0 298.390 2.380 20 10 CECDRO Cc1noc(C)c1N(C)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662606835 415900565 /nfs/dbraw/zinc/90/05/65/415900565.db2.gz YMIOLYOGHARQTN-UHFFFAOYSA-N 1 0 285.347 2.214 20 10 CECDRO Cc1noc(CC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000089518306 260237402 /nfs/dbraw/zinc/23/74/02/260237402.db2.gz QTJMTPQYYRPBNQ-NSHDSACASA-N 1 0 274.368 2.337 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000092069548 260491857 /nfs/dbraw/zinc/49/18/57/260491857.db2.gz HNMPVMDCAKGFMG-INIZCTEOSA-N 1 0 299.422 2.256 20 10 CECDRO C[N@H+](CCc1nccs1)Cc1cc2c(cc1O)OCO2 ZINC000157129840 261140694 /nfs/dbraw/zinc/14/06/94/261140694.db2.gz AAAMDGIWXRKLAL-UHFFFAOYSA-N 1 0 292.360 2.252 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1OC ZINC000159941636 261199086 /nfs/dbraw/zinc/19/90/86/261199086.db2.gz HADYJGIXBJWAIA-LLVKDONJSA-N 1 0 295.379 2.409 20 10 CECDRO CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c(O)c1 ZINC000162072749 261268349 /nfs/dbraw/zinc/26/83/49/261268349.db2.gz JLSFLCPDQKRGOO-CQSZACIVSA-N 1 0 292.379 2.021 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCOC1 ZINC000163758734 261328604 /nfs/dbraw/zinc/32/86/04/261328604.db2.gz JFDFUZOMGDHCCB-VIFPVBQESA-N 1 0 286.169 2.281 20 10 CECDRO C[C@H](CCO)C[NH2+]Cc1cc(Br)ccc1O ZINC000164931904 261361134 /nfs/dbraw/zinc/36/11/34/261361134.db2.gz KJZZOGKYUOAHSF-SECBINFHSA-N 1 0 288.185 2.263 20 10 CECDRO C[C@H](CCCO)[NH2+]Cc1cc(Br)ccc1O ZINC000165848253 261378538 /nfs/dbraw/zinc/37/85/38/261378538.db2.gz NAVZEDVYQNXICM-SECBINFHSA-N 1 0 288.185 2.405 20 10 CECDRO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000178710478 261756470 /nfs/dbraw/zinc/75/64/70/261756470.db2.gz DDKPTMYUAYKWHA-LSDHHAIUSA-N 1 0 287.407 2.030 20 10 CECDRO CC(C)NC(=O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000184895980 262032706 /nfs/dbraw/zinc/03/27/06/262032706.db2.gz SARQKSUMVLJXGC-SECBINFHSA-N 1 0 270.760 2.221 20 10 CECDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccccc1O ZINC000185220147 262046287 /nfs/dbraw/zinc/04/62/87/262046287.db2.gz NDLZYQDUEIZHKD-MNOVXSKESA-N 1 0 251.326 2.070 20 10 CECDRO C[C@H]([NH2+]CCC(=O)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000185264680 262048327 /nfs/dbraw/zinc/04/83/27/262048327.db2.gz BFKRZGGCRCHLSG-LBPRGKRZSA-N 1 0 290.407 2.400 20 10 CECDRO C[C@H]([NH2+]CCCN1CCOC1=O)c1cc(F)ccc1O ZINC000185333026 262051077 /nfs/dbraw/zinc/05/10/77/262051077.db2.gz OQWUJTRYUDKQNB-JTQLQIEISA-N 1 0 282.315 2.024 20 10 CECDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000185779525 262070802 /nfs/dbraw/zinc/07/08/02/262070802.db2.gz LZBHDRYPQZZJSA-ZDUSSCGKSA-N 1 0 278.352 2.021 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000186817114 262111421 /nfs/dbraw/zinc/11/14/21/262111421.db2.gz RKZTUJLKPLMATQ-CYBMUJFWSA-N 1 0 277.412 2.272 20 10 CECDRO O=c1[nH]ccc2c1C[N@H+](Cc1ccccc1O)CC2 ZINC000276997789 263038963 /nfs/dbraw/zinc/03/89/63/263038963.db2.gz HRSDWHWJKYLGMV-UHFFFAOYSA-N 1 0 256.305 2.051 20 10 CECDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)CO ZINC000292767396 263134841 /nfs/dbraw/zinc/13/48/41/263134841.db2.gz KCFKJZWRBYZAKF-SECBINFHSA-N 1 0 288.185 2.357 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCOCC[C@H]2C)c1O ZINC000367708600 267111993 /nfs/dbraw/zinc/11/19/93/267111993.db2.gz QUJDVLRNEKQPLE-GFCCVEGCSA-N 1 0 265.353 2.402 20 10 CECDRO Oc1ccccc1C[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000367723943 267112997 /nfs/dbraw/zinc/11/29/97/267112997.db2.gz VADHQBXLVNVBLU-UHFFFAOYSA-N 1 0 287.338 2.249 20 10 CECDRO COc1ccc(O)c([C@@H](C)[N@H+](C)[C@@H]2CCCCNC2=O)c1 ZINC000368015241 267135061 /nfs/dbraw/zinc/13/50/61/267135061.db2.gz CIUAWWBWTXQVNR-BXUZGUMPSA-N 1 0 292.379 2.062 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000374271986 267770280 /nfs/dbraw/zinc/77/02/80/267770280.db2.gz PPICKJXBDVJUQQ-WBVHZDCISA-N 1 0 290.407 2.180 20 10 CECDRO Oc1ccccc1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000375689466 267887677 /nfs/dbraw/zinc/88/76/77/267887677.db2.gz DYHCQUZVWJALSO-OAHLLOKOSA-N 1 0 287.363 2.061 20 10 CECDRO COc1ccc(O)c([C@H](C)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000364638707 295168153 /nfs/dbraw/zinc/16/81/53/295168153.db2.gz SAHJMJZJFVWDOS-XEZPLFJOSA-N 1 0 290.407 2.488 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(C)cc1O ZINC000527959929 313220977 /nfs/dbraw/zinc/22/09/77/313220977.db2.gz ZUBKGTSUPATPFG-NUEKZKHPSA-N 1 0 279.380 2.281 20 10 CECDRO CC[C@@](C)(CCO)[NH2+]Cc1cc(OC)ccc1O ZINC000182626657 327814545 /nfs/dbraw/zinc/81/45/45/327814545.db2.gz JIBQKDDLWAFUHV-AWEZNQCLSA-N 1 0 253.342 2.042 20 10 CECDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cc1ccc(N)cc1 ZINC000237076503 328005045 /nfs/dbraw/zinc/00/50/45/328005045.db2.gz XAYDWVKAGBFPOB-MRXNPFEDSA-N 1 0 289.423 2.144 20 10 CECDRO Cc1cccc(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c1O ZINC000271867448 328198660 /nfs/dbraw/zinc/19/86/60/328198660.db2.gz RLWTXIMDOHMRCH-SOZUMNATSA-N 1 0 267.394 2.042 20 10 CECDRO COCCOC[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000093755431 327199860 /nfs/dbraw/zinc/19/98/60/327199860.db2.gz HZZINMXYKMZDNB-AWEZNQCLSA-N 1 0 279.380 2.186 20 10 CECDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000295077217 327602552 /nfs/dbraw/zinc/60/25/52/327602552.db2.gz PWRGKCSWQHYVGH-GFCCVEGCSA-N 1 0 250.386 2.392 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H](CO)C2)c1O ZINC000378346498 329046991 /nfs/dbraw/zinc/04/69/91/329046991.db2.gz FONMEHZLBLGIRA-CYBMUJFWSA-N 1 0 279.380 2.385 20 10 CECDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC000378439956 329050518 /nfs/dbraw/zinc/05/05/18/329050518.db2.gz XLFJVYJTBBWIKA-OAHLLOKOSA-N 1 0 288.391 2.191 20 10 CECDRO CN1CCc2cc(C[NH2+]Cc3cncs3)ccc21 ZINC000168970469 329062318 /nfs/dbraw/zinc/06/23/18/329062318.db2.gz VMWAUSKGTWJHHS-UHFFFAOYSA-N 1 0 259.378 2.425 20 10 CECDRO Nc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000237971156 329695244 /nfs/dbraw/zinc/69/52/44/329695244.db2.gz TZPLSFLKOHIYKA-FTNCPSPGSA-N 1 0 259.353 2.128 20 10 CECDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc2c(c1)CCO2 ZINC000217393628 333120882 /nfs/dbraw/zinc/12/08/82/333120882.db2.gz XUIRBWGNNFFWMF-CYBMUJFWSA-N 1 0 262.397 2.441 20 10 CECDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(F)ccc1O ZINC000226584565 333265626 /nfs/dbraw/zinc/26/56/26/333265626.db2.gz WBXJWQVMYOROTK-ZDUSSCGKSA-N 1 0 275.327 2.432 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000230316836 333316533 /nfs/dbraw/zinc/31/65/33/333316533.db2.gz JMEYBAHKUWZABP-HZPDHXFCSA-N 1 0 260.381 2.410 20 10 CECDRO CC[N@H+](CCC[NH+](C)C)Cc1cc(OC)ccc1O ZINC000230744745 333321310 /nfs/dbraw/zinc/32/13/10/333321310.db2.gz SRZRJWGRUGGAAN-UHFFFAOYSA-N 1 0 266.385 2.174 20 10 CECDRO COCCC(C)(C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000230866912 333321966 /nfs/dbraw/zinc/32/19/66/333321966.db2.gz YXANWBGUUQSHQX-UHFFFAOYSA-N 1 0 281.352 2.273 20 10 CECDRO COc1ccc(O)c([C@H](C)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530214228 333528257 /nfs/dbraw/zinc/52/82/57/333528257.db2.gz CKXUUNZAUCCEMF-XHDPSFHLSA-N 1 0 276.380 2.336 20 10 CECDRO CCOc1cccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1O ZINC000245959656 334225863 /nfs/dbraw/zinc/22/58/63/334225863.db2.gz UQHCVLNXZKGYIT-HNNXBMFYSA-N 1 0 290.407 2.461 20 10 CECDRO CCOc1cccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c1O ZINC000250508296 334345413 /nfs/dbraw/zinc/34/54/13/334345413.db2.gz GWPXGWGYZMLQBS-HNNXBMFYSA-N 1 0 290.407 2.461 20 10 CECDRO [O-]c1c(F)cccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252767416 334391324 /nfs/dbraw/zinc/39/13/24/334391324.db2.gz IFMFNZZBJDLUIJ-STQMWFEESA-N 1 0 264.344 2.248 20 10 CECDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(F)c1O ZINC000252778046 334392341 /nfs/dbraw/zinc/39/23/41/334392341.db2.gz QRWBOWLVPZGMEJ-YPMHNXCESA-N 1 0 264.344 2.200 20 10 CECDRO CCOc1cccc(C[NH2+]CC[C@@H](C)CCO)c1O ZINC000295145634 334902239 /nfs/dbraw/zinc/90/22/39/334902239.db2.gz QLGGEMPLJCOODD-GFCCVEGCSA-N 1 0 267.369 2.289 20 10 CECDRO CCOCC(C)(C)[NH2+]Cc1cccc(OC)c1O ZINC000292932112 521671210 /nfs/dbraw/zinc/67/12/10/521671210.db2.gz JCDAHVAKSAKVPH-UHFFFAOYSA-N 1 0 253.342 2.306 20 10 CECDRO COC[C@@H](C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000045656222 522204924 /nfs/dbraw/zinc/20/49/24/522204924.db2.gz UIWNBNQOJSPKRQ-WDEREUQCSA-N 1 0 253.342 2.334 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1O ZINC000279281451 518288098 /nfs/dbraw/zinc/28/80/98/518288098.db2.gz ONLIMJOLNCNUBC-ABAIWWIYSA-N 1 0 295.354 2.375 20 10 CECDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc(F)ccc2O)C1 ZINC000280939603 519552764 /nfs/dbraw/zinc/55/27/64/519552764.db2.gz IRVILVLIDOQSGH-DGCLKSJQSA-N 1 0 294.370 2.440 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C(CC)(CC)CO)c1 ZINC000265267601 521146363 /nfs/dbraw/zinc/14/63/63/521146363.db2.gz SKYINHCXPXITOF-UHFFFAOYSA-N 1 0 267.369 2.432 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]Cc2cnn(CC)c2)c1 ZINC000265486611 521155870 /nfs/dbraw/zinc/15/58/70/521155870.db2.gz MXVDXVYHMWHJEF-UHFFFAOYSA-N 1 0 275.352 2.297 20 10 CECDRO CCC[C@](C)([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801179 521273099 /nfs/dbraw/zinc/27/30/99/521273099.db2.gz RRPWEOBVHONCQZ-INIZCTEOSA-N 1 0 277.412 2.229 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)Cn2ccnc2)c1O ZINC000037157869 521374893 /nfs/dbraw/zinc/37/48/93/521374893.db2.gz XFHGQOMYLOJQBN-GFCCVEGCSA-N 1 0 275.352 2.166 20 10 CECDRO CN(C)c1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)cc1 ZINC000280647280 522204624 /nfs/dbraw/zinc/20/46/24/522204624.db2.gz NWTTZJGVCHFNRF-LJQANCHMSA-N 1 0 280.437 2.143 20 10 CECDRO COc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)ccn1 ZINC000058062519 522465458 /nfs/dbraw/zinc/46/54/58/522465458.db2.gz LSTFQVSYERGGKD-UHFFFAOYSA-N 1 0 270.332 2.315 20 10 CECDRO CC[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(C)cc1O ZINC000280888537 522611331 /nfs/dbraw/zinc/61/13/31/522611331.db2.gz OVYRROWTAUOJKB-YCPHGPKFSA-N 1 0 293.407 2.386 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1O ZINC000280260112 522856599 /nfs/dbraw/zinc/85/65/99/522856599.db2.gz XDISGEQJXYBMPD-GXTWGEPZSA-N 1 0 297.420 2.176 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(C)cc1O ZINC000280032655 522908348 /nfs/dbraw/zinc/90/83/48/522908348.db2.gz IHKLIWWUVRIUKA-GOEBONIOSA-N 1 0 292.423 2.462 20 10 CECDRO CN(Cc1ccccc1O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275558724 524035698 /nfs/dbraw/zinc/03/56/98/524035698.db2.gz AKKXSEYZWLOUBM-UHFFFAOYSA-N 1 0 291.395 2.018 20 10 CECDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cc1ccc(N)cc1 ZINC000263271163 524337762 /nfs/dbraw/zinc/33/77/62/524337762.db2.gz PCRGZAUCFBWJRT-UONOGXRCSA-N 1 0 289.423 2.048 20 10 CECDRO Cc1cccc(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1O ZINC000280137712 524410378 /nfs/dbraw/zinc/41/03/78/524410378.db2.gz CTLVFXDTCDKNQV-XJKSGUPXSA-N 1 0 277.364 2.080 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2ccc(C)nc2)c1 ZINC000062050698 524752542 /nfs/dbraw/zinc/75/25/42/524752542.db2.gz DCMYZRWLUSCQAV-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(O)CCCC2)c1 ZINC000087016672 524759278 /nfs/dbraw/zinc/75/92/78/524759278.db2.gz SUZFPAAJLBTCNT-LLVKDONJSA-N 1 0 265.353 2.357 20 10 CECDRO C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(F)ccc1O ZINC000281024376 525322401 /nfs/dbraw/zinc/32/24/01/525322401.db2.gz MNUVIQSEAHVYII-APBUJDDRSA-N 1 0 285.384 2.483 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c1 ZINC000280357248 525344681 /nfs/dbraw/zinc/34/46/81/525344681.db2.gz UCGLWXMXWQMMNH-CZUORRHYSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC000280574176 525346023 /nfs/dbraw/zinc/34/60/23/525346023.db2.gz WCOFVRXRIBNDPG-JJRVBVJISA-N 1 0 291.391 2.469 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000278491901 525359348 /nfs/dbraw/zinc/35/93/48/525359348.db2.gz PQPYAHZMLYNQNR-CQSZACIVSA-N 1 0 290.407 2.216 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ncnn2C)c1 ZINC000276744873 525365797 /nfs/dbraw/zinc/36/57/97/525365797.db2.gz ZODMBLMAHMAOOH-WDEREUQCSA-N 1 0 260.341 2.241 20 10 CECDRO C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cc(Cl)ccc1O ZINC000278909018 525403911 /nfs/dbraw/zinc/40/39/11/525403911.db2.gz VPAQOIHPWHZEPJ-BHDSKKPTSA-N 1 0 285.771 2.236 20 10 CECDRO C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000292869467 525655729 /nfs/dbraw/zinc/65/57/29/525655729.db2.gz AWHOCYBOBLMSSA-UONOGXRCSA-N 1 0 289.423 2.051 20 10 CECDRO C[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000130819146 525781472 /nfs/dbraw/zinc/78/14/72/525781472.db2.gz KFZILNXWWFVKPH-CQSZACIVSA-N 1 0 262.397 2.490 20 10 CECDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000266028334 525781438 /nfs/dbraw/zinc/78/14/38/525781438.db2.gz RWLIRDVJEJGMRR-HNNXBMFYSA-N 1 0 274.364 2.477 20 10 CECDRO COc1cccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1O ZINC000276034495 525917047 /nfs/dbraw/zinc/91/70/47/525917047.db2.gz QIJMFXZIMGVFQY-JOCQHMNTSA-N 1 0 265.353 2.136 20 10 CECDRO COc1cccc(C[N@H+](C)[C@H](CO)CC(C)C)c1O ZINC000290480980 525918747 /nfs/dbraw/zinc/91/87/47/525918747.db2.gz OAJASUAFISMLCT-ZDUSSCGKSA-N 1 0 267.369 2.240 20 10 CECDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000266028337 525977249 /nfs/dbraw/zinc/97/72/49/525977249.db2.gz RWLIRDVJEJGMRR-OAHLLOKOSA-N 1 0 274.364 2.477 20 10 CECDRO COc1cccc(C[NH2+]CCN(C)C2CCCC2)c1O ZINC000071376694 526016107 /nfs/dbraw/zinc/01/61/07/526016107.db2.gz BIXNPZKWJXQREL-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO COc1cccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1O ZINC000265256291 526030534 /nfs/dbraw/zinc/03/05/34/526030534.db2.gz PUUGYMVVIXAXKA-AWEZNQCLSA-N 1 0 291.322 2.363 20 10 CECDRO c1coc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000020083980 526567258 /nfs/dbraw/zinc/56/72/58/526567258.db2.gz NKSKSKKYIJYKNH-UHFFFAOYSA-N 1 0 272.348 2.406 20 10 CECDRO O=C1C[C@]2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)CN1 ZINC000278845030 527035141 /nfs/dbraw/zinc/03/51/41/527035141.db2.gz SZBAXDLSEXOGBA-GOSISDBHSA-N 1 0 296.370 2.257 20 10 CECDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC000238068323 527653518 /nfs/dbraw/zinc/65/35/18/527653518.db2.gz ANRPYWIHTDKVRW-QGZVFWFLSA-N 1 0 283.371 2.315 20 10 CECDRO COc1cccc(O)c1C[NH2+]CC1(O)CCCCC1 ZINC000726605602 574427911 /nfs/dbraw/zinc/42/79/11/574427911.db2.gz GEHPWVYDLYYTPQ-UHFFFAOYSA-N 1 0 265.353 2.186 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]C[C@]2(C)CCOC2)c1 ZINC000733328071 574664354 /nfs/dbraw/zinc/66/43/54/574664354.db2.gz RSYVCDCDPIOCIX-HNNXBMFYSA-N 1 0 265.353 2.307 20 10 CECDRO C[C@H](O)CC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756572583 574821131 /nfs/dbraw/zinc/82/11/31/574821131.db2.gz NHYWLOHTPRVLCN-ATZCPNFKSA-N 1 0 253.317 2.440 20 10 CECDRO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H](C)S1 ZINC000743373869 575051553 /nfs/dbraw/zinc/05/15/53/575051553.db2.gz DIURSCVAGUGVHP-AOOOYVTPSA-N 1 0 281.377 2.447 20 10 CECDRO CC1(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)COC1 ZINC000744402322 575120465 /nfs/dbraw/zinc/12/04/65/575120465.db2.gz MUZHMUZGWUDHFH-OAHLLOKOSA-N 1 0 291.391 2.410 20 10 CECDRO COc1ccc(C[NH2+]CCN2CC[C@@H](C)C2)cc1C ZINC000744450236 575121590 /nfs/dbraw/zinc/12/15/90/575121590.db2.gz PDCKIMCNYDFXLR-CYBMUJFWSA-N 1 0 262.397 2.435 20 10 CECDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000752932853 575316697 /nfs/dbraw/zinc/31/66/97/575316697.db2.gz RURKMPSKTNVDIO-LBPRGKRZSA-N 1 0 294.395 2.256 20 10 CECDRO O=C(NCc1cccc(Cl)c1O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000890759111 622930129 /nfs/dbraw/zinc/93/01/29/622930129.db2.gz COIKVCHZKCHTEJ-CYBMUJFWSA-N 1 0 294.782 2.289 20 10 CECDRO C[NH2+][C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000843348651 622940315 /nfs/dbraw/zinc/94/03/15/622940315.db2.gz VUUWURCYAOXPOD-ZDUSSCGKSA-N 1 0 296.798 2.432 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000051991914 625622794 /nfs/dbraw/zinc/62/27/94/625622794.db2.gz LDEBEVOUTOHZAM-YVLXSGLVSA-N 1 0 265.353 2.355 20 10 CECDRO COC(=O)[C@H](C[NH2+]Cc1ccccc1O)CC(C)C ZINC000813332622 623155296 /nfs/dbraw/zinc/15/52/96/623155296.db2.gz DFMCUMSHHFJSEI-ZDUSSCGKSA-N 1 0 265.353 2.317 20 10 CECDRO C[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CC[N@@H+]1C ZINC000289344225 623191253 /nfs/dbraw/zinc/19/12/53/623191253.db2.gz JVQIGVNIUDGMPI-ZFWWWQNUSA-N 1 0 289.423 2.099 20 10 CECDRO CC[C@H]1CN(Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000891563090 623792061 /nfs/dbraw/zinc/79/20/61/623792061.db2.gz WRVUMULPKNJNRJ-LBPRGKRZSA-N 1 0 281.352 2.020 20 10 CECDRO COc1ccc(C[NH+]2C[C@H](C)[C@@H](C)C2)c(O)c1OC ZINC000892067883 624293482 /nfs/dbraw/zinc/29/34/82/624293482.db2.gz BRILBVAOYQUEFH-QWRGUYRKSA-N 1 0 265.353 2.497 20 10 CECDRO CCOC(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000045687953 624502672 /nfs/dbraw/zinc/50/26/72/624502672.db2.gz PPTUCAKGDAHMKD-LBPRGKRZSA-N 1 0 264.369 2.356 20 10 CECDRO COc1cccc(O)c1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000725845539 625742364 /nfs/dbraw/zinc/74/23/64/625742364.db2.gz CRPLCPVOTZMWTN-OLZOCXBDSA-N 1 0 276.380 2.117 20 10 CECDRO OCc1c[nH+]ccc1NCCCSc1nccs1 ZINC000892515327 625848861 /nfs/dbraw/zinc/84/88/61/625848861.db2.gz MOTXRXUATCYWJD-UHFFFAOYSA-N 1 0 281.406 2.047 20 10 CECDRO COc1ccc(C[NH2+]Cc2nccs2)c(O)c1OC ZINC000892641860 627337612 /nfs/dbraw/zinc/33/76/12/627337612.db2.gz XIIPDBXWEXLUAS-UHFFFAOYSA-N 1 0 280.349 2.156 20 10 CECDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CN3CCC2CC3)c1 ZINC000311457458 627666546 /nfs/dbraw/zinc/66/65/46/627666546.db2.gz UVJMOZKHNLFYBZ-HNNXBMFYSA-N 1 0 260.381 2.227 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CO)CC2)cc1OC ZINC000293993766 627868419 /nfs/dbraw/zinc/86/84/19/627868419.db2.gz LVSVVVDASCXWAV-GFCCVEGCSA-N 1 0 295.379 2.004 20 10 CECDRO COCCN1CC[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)C1 ZINC000840895405 627885420 /nfs/dbraw/zinc/88/54/20/627885420.db2.gz LKWCHDMWMYTLJT-GFCCVEGCSA-N 1 0 298.814 2.164 20 10 CECDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892976224 627912596 /nfs/dbraw/zinc/91/25/96/627912596.db2.gz BRVUTBUUYOYPQF-ZDUSSCGKSA-N 1 0 297.395 2.296 20 10 CECDRO C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(F)ccc1O ZINC000228336947 628156102 /nfs/dbraw/zinc/15/61/02/628156102.db2.gz NZVINXXYFDAJTC-SNVBAGLBSA-N 1 0 282.359 2.487 20 10 CECDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000236682972 628199147 /nfs/dbraw/zinc/19/91/47/628199147.db2.gz FPQONYRSKYTBRV-UHFFFAOYSA-N 1 0 295.402 2.273 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc(F)ccc1O ZINC000184862462 628217671 /nfs/dbraw/zinc/21/76/71/628217671.db2.gz ISMMNCLGXAIKJL-JTQLQIEISA-N 1 0 288.322 2.481 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCON)c1O ZINC000902416140 634642607 /nfs/dbraw/zinc/64/26/07/634642607.db2.gz SQUACBRQZYXLDS-VIFPVBQESA-N 1 0 258.749 2.285 20 10 CECDRO CC[C@H]([NH2+]CCCON)c1cc(Cl)ccc1O ZINC000902426128 634648517 /nfs/dbraw/zinc/64/85/17/634648517.db2.gz RDECFABIKKPIMB-NSHDSACASA-N 1 0 258.749 2.367 20 10 CECDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc(N(C)C)cc1 ZINC000931041061 628341042 /nfs/dbraw/zinc/34/10/42/628341042.db2.gz GILQFVXMMBUDJS-CJNGLKHVSA-N 1 0 261.413 2.277 20 10 CECDRO COCCO[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000193455312 628477207 /nfs/dbraw/zinc/47/72/07/628477207.db2.gz GAOZSFABVJDIDG-QGZVFWFLSA-N 1 0 292.423 2.380 20 10 CECDRO Oc1ccccc1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000060358336 628917509 /nfs/dbraw/zinc/91/75/09/628917509.db2.gz GETZZGBUQGSYET-OAHLLOKOSA-N 1 0 261.296 2.355 20 10 CECDRO CC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000094617515 628929394 /nfs/dbraw/zinc/92/93/94/628929394.db2.gz YWTSTDYLOPWYTL-JTQLQIEISA-N 1 0 280.343 2.193 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1OC ZINC000840976036 628983774 /nfs/dbraw/zinc/98/37/74/628983774.db2.gz BBYSODOTUKAMKP-YPMHNXCESA-N 1 0 295.379 2.050 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1O ZINC000840980357 628988766 /nfs/dbraw/zinc/98/87/66/628988766.db2.gz XHJROWMCZUYIHR-TZMCWYRMSA-N 1 0 279.380 2.384 20 10 CECDRO COc1ccc(N2CC[NH+]([C@@H]3CC[C@@H](OC)C3)CC2)cc1 ZINC000821386705 634706052 /nfs/dbraw/zinc/70/60/52/634706052.db2.gz MXPTUYABFQFZDN-NVXWUHKLSA-N 1 0 290.407 2.385 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCC[C@H](CCO)C2)c1O ZINC000894004705 629083409 /nfs/dbraw/zinc/08/34/09/629083409.db2.gz XKKRCSDTQGWNFL-CYBMUJFWSA-N 1 0 279.380 2.304 20 10 CECDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894035048 629091759 /nfs/dbraw/zinc/09/17/59/629091759.db2.gz XEAGNJIJCUKALV-CABZTGNLSA-N 1 0 271.307 2.406 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000877527769 629178746 /nfs/dbraw/zinc/17/87/46/629178746.db2.gz VNUUJMOVQPJBPR-LLVKDONJSA-N 1 0 263.259 2.104 20 10 CECDRO COc1cc(C)cc(CNCc2cc(C)on2)c1O ZINC000894203633 629206935 /nfs/dbraw/zinc/20/69/35/629206935.db2.gz DILIBGCFVQPZMF-UHFFFAOYSA-N 1 0 262.309 2.295 20 10 CECDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894250050 629256815 /nfs/dbraw/zinc/25/68/15/629256815.db2.gz CZKBWGALAGSRLS-AAEUAGOBSA-N 1 0 267.369 2.206 20 10 CECDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894480161 629485740 /nfs/dbraw/zinc/48/57/40/629485740.db2.gz MIPYCZHIGGVOQA-MUBLQREKSA-N 1 0 265.353 2.126 20 10 CECDRO O=c1[nH]ccc2c1C[N@H+](Cc1cc(F)cc(F)c1[O-])CC2 ZINC000894563707 629532557 /nfs/dbraw/zinc/53/25/57/629532557.db2.gz UVCOYQZQWWZDHE-UHFFFAOYSA-N 1 0 292.285 2.329 20 10 CECDRO COc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c(O)c1OC ZINC000894642040 629570850 /nfs/dbraw/zinc/57/08/50/629570850.db2.gz KJYALJKKHLIIHL-ZBEGNZNMSA-N 1 0 295.379 2.050 20 10 CECDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894687454 629589417 /nfs/dbraw/zinc/58/94/17/629589417.db2.gz HETRWZXJYWGTGB-QWHCGFSZSA-N 1 0 295.379 2.002 20 10 CECDRO CC[C@@](C)(C[NH2+]Cc1ccc(OC)c(OC)c1O)OC ZINC000894713196 629599478 /nfs/dbraw/zinc/59/94/78/629599478.db2.gz XQLWUXHONCDJTE-HNNXBMFYSA-N 1 0 283.368 2.314 20 10 CECDRO COc1ccc(C[NH2+]CCC[C@@H]2CCOC2)c(O)c1OC ZINC000894769228 629624539 /nfs/dbraw/zinc/62/45/39/629624539.db2.gz SGDKQGVKYDRSGW-GFCCVEGCSA-N 1 0 295.379 2.316 20 10 CECDRO COC(=O)[C@@H](C[NH2+]Cc1c(O)cccc1OC)CC(C)C ZINC000894791164 629636892 /nfs/dbraw/zinc/63/68/92/629636892.db2.gz POYPETAYOFZLDI-GFCCVEGCSA-N 1 0 295.379 2.326 20 10 CECDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2O)CCC3)C1 ZINC000795675378 629651286 /nfs/dbraw/zinc/65/12/86/629651286.db2.gz OBUXSQJIZNRDOP-GASCZTMLSA-N 1 0 261.365 2.490 20 10 CECDRO COc1cc(C)cc(C[NH2+]C2(CF)CCOCC2)c1O ZINC000894880547 629713713 /nfs/dbraw/zinc/71/37/13/629713713.db2.gz LPNAAZCNOHDHII-UHFFFAOYSA-N 1 0 283.343 2.318 20 10 CECDRO Cc1cc(O)c(C[N@H+]2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)cc1C ZINC000895117747 629917604 /nfs/dbraw/zinc/91/76/04/629917604.db2.gz WAYHFRCQWAUNNZ-YNEHKIRRSA-N 1 0 276.380 2.106 20 10 CECDRO CC[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)C(=O)OC ZINC000895121083 629925233 /nfs/dbraw/zinc/92/52/33/629925233.db2.gz DAHDFICGQMAEJT-LBPRGKRZSA-N 1 0 282.359 2.181 20 10 CECDRO C[NH+](C)C1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000796740856 629985396 /nfs/dbraw/zinc/98/53/96/629985396.db2.gz CZFYGGHASXCSED-UHFFFAOYSA-N 1 0 293.367 2.263 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1O ZINC000895345872 630127243 /nfs/dbraw/zinc/12/72/43/630127243.db2.gz WYTJJFAVKDWBDG-MLGOLLRUSA-N 1 0 279.380 2.160 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)c(O)c1OC ZINC000895363776 630139649 /nfs/dbraw/zinc/13/96/49/630139649.db2.gz VQVHFGIVLBJZID-LBPRGKRZSA-N 1 0 293.363 2.211 20 10 CECDRO COC(=O)[C@H]1[C@@H](C[NH2+][C@H](C)c2ccccc2O)C1(F)F ZINC000895460059 630201797 /nfs/dbraw/zinc/20/17/97/630201797.db2.gz ITSWAJXVJGFKED-HLUHBDAQSA-N 1 0 285.290 2.097 20 10 CECDRO COC[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000895623932 630278154 /nfs/dbraw/zinc/27/81/54/630278154.db2.gz YKJSIOQJHCSKBK-BJHJDKERSA-N 1 0 265.353 2.224 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000895749433 630324157 /nfs/dbraw/zinc/32/41/57/630324157.db2.gz QZPCZWFNOINWKT-NVXWUHKLSA-N 1 0 292.423 2.081 20 10 CECDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895785631 630344693 /nfs/dbraw/zinc/34/46/93/630344693.db2.gz YGVHCRZXQLRGKQ-ISTVAULSSA-N 1 0 267.756 2.248 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)c1 ZINC000895923624 630404953 /nfs/dbraw/zinc/40/49/53/630404953.db2.gz XOCLTXMALAQZRI-YNEHKIRRSA-N 1 0 276.380 2.140 20 10 CECDRO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)no1 ZINC000896230191 630504162 /nfs/dbraw/zinc/50/41/62/630504162.db2.gz IOQSMEJAKWFGAW-CYBMUJFWSA-N 1 0 273.336 2.382 20 10 CECDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896384559 630549169 /nfs/dbraw/zinc/54/91/69/630549169.db2.gz MYPKIUMTRWBQST-JTQLQIEISA-N 1 0 283.755 2.240 20 10 CECDRO CO[C@@]1(C[NH2+]Cc2ccc(C)cc2O)CCSC1 ZINC000896566193 630599863 /nfs/dbraw/zinc/59/98/63/630599863.db2.gz AKLPGNNLQYJQHM-CQSZACIVSA-N 1 0 267.394 2.312 20 10 CECDRO CCOc1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)c(O)c1 ZINC000797903883 630777191 /nfs/dbraw/zinc/77/71/91/630777191.db2.gz WKWUXJKBBHAJAD-HXUWFJFHSA-N 1 0 297.420 2.182 20 10 CECDRO Cc1cccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c1O ZINC000897012796 630874747 /nfs/dbraw/zinc/87/47/47/630874747.db2.gz JVHJFLHMCKKMBU-UHFFFAOYSA-N 1 0 290.363 2.165 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCS[C@H]2C)c1O ZINC000310564141 630934593 /nfs/dbraw/zinc/93/45/93/630934593.db2.gz KXXCQSUUOPJVNN-ONGXEEELSA-N 1 0 253.367 2.384 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2COCC2(C)C)c(O)c1 ZINC000825090905 635564486 /nfs/dbraw/zinc/56/44/86/635564486.db2.gz MQZHOMYFVMXVRB-AWEZNQCLSA-N 1 0 265.353 2.306 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCC(=O)NC1(C)C)c1ccccc1O ZINC000802313018 631423970 /nfs/dbraw/zinc/42/39/70/631423970.db2.gz DTXYONVFOSDFSA-OCCSQVGLSA-N 1 0 276.380 2.490 20 10 CECDRO C[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](C)C1)c1ccccc1O ZINC000897468879 631533881 /nfs/dbraw/zinc/53/38/81/631533881.db2.gz ASBMYYCYSBDKGR-QWHCGFSZSA-N 1 0 291.395 2.094 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CC[C@H]1CCCC[C@H]1O)OCO2 ZINC000897538940 631696392 /nfs/dbraw/zinc/69/63/92/631696392.db2.gz IWXYLTCHUKOHFX-DGCLKSJQSA-N 1 0 293.363 2.152 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H](CO)C(C)C)c(O)c1 ZINC000808421873 631961031 /nfs/dbraw/zinc/96/10/31/631961031.db2.gz SLADNIZAGGXPSN-ZDUSSCGKSA-N 1 0 267.369 2.145 20 10 CECDRO Cn1nncc1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000808437029 631963530 /nfs/dbraw/zinc/96/35/30/631963530.db2.gz WPRBQOIDFNTRNV-UHFFFAOYSA-N 1 0 294.358 2.478 20 10 CECDRO COC[C@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000808717011 632004964 /nfs/dbraw/zinc/00/49/64/632004964.db2.gz BRDCSOWUGIKDBH-MWLCHTKSSA-N 1 0 273.760 2.012 20 10 CECDRO OCCC1CC([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000898014675 632015140 /nfs/dbraw/zinc/01/51/40/632015140.db2.gz DMFSHNZYAFHJAJ-UHFFFAOYSA-N 1 0 261.365 2.262 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCN2CCC(C)(C)C2)c1 ZINC000898034923 632028894 /nfs/dbraw/zinc/02/88/94/632028894.db2.gz CBMOYQKYVWSJMF-UHFFFAOYSA-N 1 0 278.396 2.222 20 10 CECDRO COc1cccc(O)c1CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000809724183 632133703 /nfs/dbraw/zinc/13/37/03/632133703.db2.gz GBPSQPZUAYCSQL-HIFRSBDPSA-N 1 0 290.407 2.459 20 10 CECDRO COc1cc(C)nc(C[NH2+]Cc2cccc(OC)c2O)c1 ZINC000809740463 632135175 /nfs/dbraw/zinc/13/51/75/632135175.db2.gz ZPCCVELKJZSZTJ-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO Cc1cn[nH]c1C[NH2+]CCCSc1nccs1 ZINC000810146733 632187604 /nfs/dbraw/zinc/18/76/04/632187604.db2.gz VWSCOUMIYZCATO-UHFFFAOYSA-N 1 0 268.411 2.447 20 10 CECDRO [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000841057106 632360434 /nfs/dbraw/zinc/36/04/34/632360434.db2.gz IFHICYLWECCJBL-LLVKDONJSA-N 1 0 299.212 2.386 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCOC2CCOCC2)c1O ZINC000927076639 632446805 /nfs/dbraw/zinc/44/68/05/632446805.db2.gz KTOCDGHAYNNSLF-LBPRGKRZSA-N 1 0 295.379 2.247 20 10 CECDRO CN(C)c1ccc([C@H](C[NH2+]CC2(F)CC2)N(C)C)cc1 ZINC000898451320 632500089 /nfs/dbraw/zinc/50/00/89/632500089.db2.gz XPBQVTSXUYKHGX-HNNXBMFYSA-N 1 0 279.403 2.447 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@](C)(OC)C1CC1 ZINC000812771979 632574327 /nfs/dbraw/zinc/57/43/27/632574327.db2.gz FKOGCIOLXYCLFL-HNNXBMFYSA-N 1 0 265.353 2.306 20 10 CECDRO c1cc(C[NH2+]CCO[C@H]2CCCCO2)cc2c1OCC2 ZINC000813334093 632671728 /nfs/dbraw/zinc/67/17/28/632671728.db2.gz WUOBMASDMLOLAN-INIZCTEOSA-N 1 0 277.364 2.254 20 10 CECDRO C[C@H]([NH2+]C1COCCOC1)c1cc2c(cc1O)CCCC2 ZINC000813878824 632751859 /nfs/dbraw/zinc/75/18/59/632751859.db2.gz GCZPLUPPJFSLSS-LBPRGKRZSA-N 1 0 291.391 2.337 20 10 CECDRO COCC1([NH2+]Cc2ccc(OC)c(C)c2)CCOCC1 ZINC000814302029 632822068 /nfs/dbraw/zinc/82/20/68/632822068.db2.gz NDMFZQMZJPCPLK-UHFFFAOYSA-N 1 0 279.380 2.289 20 10 CECDRO CC(C)[NH+](Cc1cn(-c2ccc(N)cc2)nn1)C(C)C ZINC000899682259 632944475 /nfs/dbraw/zinc/94/44/75/632944475.db2.gz JEMYQQGJJWSODA-UHFFFAOYSA-N 1 0 273.384 2.468 20 10 CECDRO Cc1cc(C[N@@H+](C)[C@H](CO)COC(C)C)ccc1N(C)C ZINC000815101766 632959794 /nfs/dbraw/zinc/95/97/94/632959794.db2.gz AKCUPTIGOYEIPA-MRXNPFEDSA-N 1 0 294.439 2.279 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C(N)=O)nc2)c(O)c1 ZINC000815587362 633035824 /nfs/dbraw/zinc/03/58/24/633035824.db2.gz HZBUVWVJHZVHQP-LBPRGKRZSA-N 1 0 299.374 2.354 20 10 CECDRO CCc1nocc1C[NH2+]Cc1ccc(OC)cc1O ZINC000816597549 633419407 /nfs/dbraw/zinc/41/94/07/633419407.db2.gz WGEJBHBBTYCTPW-UHFFFAOYSA-N 1 0 262.309 2.241 20 10 CECDRO C[N@@H+](Cc1cc(Cl)c(F)cc1[O-])C[C@@H](O)C1CC1 ZINC000816611457 633421029 /nfs/dbraw/zinc/42/10/29/633421029.db2.gz QKXNVJVHQISOMG-CYBMUJFWSA-N 1 0 273.735 2.387 20 10 CECDRO COC1([C@@H](C)[NH2+]Cc2cccc(C)c2O)CCOCC1 ZINC000817419396 633655512 /nfs/dbraw/zinc/65/55/12/633655512.db2.gz GMXHMTPLSDGXJD-CYBMUJFWSA-N 1 0 279.380 2.374 20 10 CECDRO CCCN1C[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)CC1=O ZINC000817589905 633703679 /nfs/dbraw/zinc/70/36/79/633703679.db2.gz RELKNDQVEJPLDC-TZMCWYRMSA-N 1 0 288.391 2.228 20 10 CECDRO C[C@@H](NCc1ccc2c(c1)CCO2)[C@H]1CCCC[NH2+]1 ZINC000817902848 633763541 /nfs/dbraw/zinc/76/35/41/633763541.db2.gz ZKQSRGFBQONGEZ-IUODEOHRSA-N 1 0 260.381 2.242 20 10 CECDRO C[C@H]([NH2+]CCC[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000817938806 633789078 /nfs/dbraw/zinc/78/90/78/633789078.db2.gz SQNZTSOPWQPCKZ-ZETCQYMHSA-N 1 0 291.164 2.293 20 10 CECDRO C[C@@H]1C[C@@H](NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c2nccn21 ZINC000817942286 633789601 /nfs/dbraw/zinc/78/96/01/633789601.db2.gz NPSXLTACOIAXJY-DAXOMENPSA-N 1 0 299.422 2.245 20 10 CECDRO CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCCc3n[nH]cc32)cc1 ZINC000817941812 633789616 /nfs/dbraw/zinc/78/96/16/633789616.db2.gz LBBIIRQQCUUQCN-CVEARBPZSA-N 1 0 299.422 2.143 20 10 CECDRO C[NH2+]CCN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000817954386 633798751 /nfs/dbraw/zinc/79/87/51/633798751.db2.gz YSZDRVYUPNUNBC-GFCCVEGCSA-N 1 0 297.830 2.047 20 10 CECDRO CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817960912 633803611 /nfs/dbraw/zinc/80/36/11/633803611.db2.gz UDZCZTDFWXVPAT-JTQLQIEISA-N 1 0 281.356 2.469 20 10 CECDRO CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)cc1[O-] ZINC000817964550 633807096 /nfs/dbraw/zinc/80/70/96/633807096.db2.gz CHXNDYQYBPDYRH-STQMWFEESA-N 1 0 252.333 2.309 20 10 CECDRO COCCNCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000817965567 633807756 /nfs/dbraw/zinc/80/77/56/633807756.db2.gz XVJOSIZDVLJEHW-LLVKDONJSA-N 1 0 286.803 2.241 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817971047 633812896 /nfs/dbraw/zinc/81/28/96/633812896.db2.gz JPAGBSNVOMMBRB-VYUIOLGVSA-N 1 0 270.323 2.319 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(Cl)ccc1O ZINC000817976658 633819483 /nfs/dbraw/zinc/81/94/83/633819483.db2.gz QNVHPTBIBJDPOS-MIMYLULJSA-N 1 0 272.751 2.396 20 10 CECDRO CC[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000817979572 633821847 /nfs/dbraw/zinc/82/18/47/633821847.db2.gz CATUTYKTUNFHNL-AAEUAGOBSA-N 1 0 270.323 2.430 20 10 CECDRO C[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N(C)C)cc1 ZINC000817978415 633822139 /nfs/dbraw/zinc/82/21/39/633822139.db2.gz ANDODRPTPCNCFF-SMDDNHRTSA-N 1 0 283.366 2.400 20 10 CECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cocn3)C2)cc1 ZINC000818220140 633886683 /nfs/dbraw/zinc/88/66/83/633886683.db2.gz FVHHSBLPBSNFIJ-ZDUSSCGKSA-N 1 0 287.363 2.299 20 10 CECDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)CC(F)(F)F ZINC000818996268 634034542 /nfs/dbraw/zinc/03/45/42/634034542.db2.gz CYJIXTSZBBJWHC-NSHDSACASA-N 1 0 275.270 2.024 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)CCOC(C)C ZINC000819076436 634062145 /nfs/dbraw/zinc/06/21/45/634062145.db2.gz BYXKPGUYMKRRHI-QGZVFWFLSA-N 1 0 294.439 2.327 20 10 CECDRO OC1(C[NH2+]Cc2ccc(N3CC=CC3)cc2)CCCC1 ZINC000819094771 634066104 /nfs/dbraw/zinc/06/61/04/634066104.db2.gz LUYRPMDUVRHJEC-UHFFFAOYSA-N 1 0 272.392 2.458 20 10 CECDRO CSC[C@H](O)C[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000819377350 634162445 /nfs/dbraw/zinc/16/24/45/634162445.db2.gz QGDDXEGVPDADNW-CZUORRHYSA-N 1 0 296.480 2.306 20 10 CECDRO COC(=O)C1(C)C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000822534745 634938956 /nfs/dbraw/zinc/93/89/56/634938956.db2.gz VUTUXMSUJMAXHJ-UHFFFAOYSA-N 1 0 269.728 2.041 20 10 CECDRO CC(C)[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1nncn1C ZINC000903066484 634952837 /nfs/dbraw/zinc/95/28/37/634952837.db2.gz VKOVODOKTCWHEX-SWLSCSKDSA-N 1 0 286.379 2.495 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903098488 634967824 /nfs/dbraw/zinc/96/78/24/634967824.db2.gz PMMHCEJOJAKXDP-IRXDYDNUSA-N 1 0 290.407 2.099 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccccc1O ZINC000822812848 635001003 /nfs/dbraw/zinc/00/10/03/635001003.db2.gz OHEPJQQDASXVIW-WCQYABFASA-N 1 0 276.380 2.442 20 10 CECDRO CC[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(C)cc1O ZINC000903261269 635034007 /nfs/dbraw/zinc/03/40/07/635034007.db2.gz VNXLZAGMOMIPFT-YIZWMMSDSA-N 1 0 276.380 2.395 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(F)ccc1O ZINC000903286278 635050568 /nfs/dbraw/zinc/05/05/68/635050568.db2.gz FZOIICQSUNXYSV-LXWXXRIVSA-N 1 0 263.312 2.358 20 10 CECDRO CCN(C[C@H]1C[C@]2(CC[NH2+]C2)CO1)c1ccc(OC)cc1 ZINC000903722702 635236371 /nfs/dbraw/zinc/23/63/71/635236371.db2.gz DFYODSGTVJVONL-SJORKVTESA-N 1 0 290.407 2.290 20 10 CECDRO CCOc1ccc(N(C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903732881 635243443 /nfs/dbraw/zinc/24/34/43/635243443.db2.gz HGWBFIMSLJQCAZ-IAGOWNOFSA-N 1 0 290.407 2.290 20 10 CECDRO COc1ccc(N(C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1F ZINC000903733450 635250461 /nfs/dbraw/zinc/25/04/61/635250461.db2.gz KKZAGKKEKZZTEP-CJNGLKHVSA-N 1 0 294.370 2.039 20 10 CECDRO Cn1nc(C2CC2)cc1C[NH2+]Cc1ccccc1O ZINC000823752454 635272033 /nfs/dbraw/zinc/27/20/33/635272033.db2.gz GCAJBTHSZUVHMI-UHFFFAOYSA-N 1 0 257.337 2.293 20 10 CECDRO COc1ccc(N(C)C[C@@H]([NH3+])CC(F)F)cc1OC ZINC000903906177 635340852 /nfs/dbraw/zinc/34/08/52/635340852.db2.gz UAOCDNNOJREXGT-VIFPVBQESA-N 1 0 274.311 2.123 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](O)C2)cc1Cl ZINC000824491844 635435058 /nfs/dbraw/zinc/43/50/58/635435058.db2.gz XMJGZJGIWOROFA-LLVKDONJSA-N 1 0 255.745 2.311 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)OC)c(O)c1 ZINC000824702525 635480939 /nfs/dbraw/zinc/48/09/39/635480939.db2.gz NBTKPCDMEGVYBO-KGLIPLIRSA-N 1 0 293.363 2.222 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000824708396 635481672 /nfs/dbraw/zinc/48/16/72/635481672.db2.gz GCLBFIPHHSRGFR-QMTHXVAHSA-N 1 0 285.771 2.187 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1Cl ZINC000824895415 635518590 /nfs/dbraw/zinc/51/85/90/635518590.db2.gz WRBDNKDXVVPFIX-NSHDSACASA-N 1 0 296.798 2.441 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@H](C)N(C)C)ccc1OC ZINC000824988007 635536052 /nfs/dbraw/zinc/53/60/52/635536052.db2.gz FXYBPVALPFMYIP-ZDUSSCGKSA-N 1 0 280.412 2.271 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCOC2)cc1Cl ZINC000825107269 635571061 /nfs/dbraw/zinc/57/10/61/635571061.db2.gz FVBRHESJECFGEU-JTQLQIEISA-N 1 0 255.745 2.480 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000825133467 635575624 /nfs/dbraw/zinc/57/56/24/635575624.db2.gz GQFYFBWBLVXCDF-INIZCTEOSA-N 1 0 277.364 2.403 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](CC)c1ccccc1O ZINC000825196679 635589297 /nfs/dbraw/zinc/58/92/97/635589297.db2.gz LZFDPVONVZEYGE-GZBFAFLISA-N 1 0 265.353 2.237 20 10 CECDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000825284368 635605595 /nfs/dbraw/zinc/60/55/95/635605595.db2.gz LWLCTIQUWUBBQB-TZMCWYRMSA-N 1 0 295.379 2.457 20 10 CECDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000825284613 635606467 /nfs/dbraw/zinc/60/64/67/635606467.db2.gz SPARMLIIIZZWOS-DGCLKSJQSA-N 1 0 279.336 2.168 20 10 CECDRO Oc1ccc(F)cc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904431525 635627121 /nfs/dbraw/zinc/62/71/21/635627121.db2.gz VTTODHONYVXIFR-HNNXBMFYSA-N 1 0 264.344 2.249 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)CCNC(=O)N(C)C)cc1Cl ZINC000825411981 635633973 /nfs/dbraw/zinc/63/39/73/635633973.db2.gz ANRZLYAPEHZQSN-UHFFFAOYSA-N 1 0 299.802 2.057 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)C2CC(O)C2)cc1Cl ZINC000825514931 635650706 /nfs/dbraw/zinc/65/07/06/635650706.db2.gz UGCHRAPXVQZMAI-UHFFFAOYSA-N 1 0 255.745 2.309 20 10 CECDRO Cc1cc(O)c(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1Cl ZINC000825968822 635739948 /nfs/dbraw/zinc/73/99/48/635739948.db2.gz ZFHAINPOWDPWPP-FZMZJTMJSA-N 1 0 280.799 2.490 20 10 CECDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(Br)cc1O ZINC000826089862 635760149 /nfs/dbraw/zinc/76/01/49/635760149.db2.gz PZFVSSHYNDFZEH-LDYMZIIASA-N 1 0 286.169 2.110 20 10 CECDRO C[N@H+](Cc1cn(-c2ccc(N)cc2)nn1)C(C)(C)C ZINC000905058203 635805952 /nfs/dbraw/zinc/80/59/52/635805952.db2.gz KEWMFSHWYNVDBK-UHFFFAOYSA-N 1 0 259.357 2.080 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)CC[S@@](C)=O)cc1 ZINC000827336584 636297948 /nfs/dbraw/zinc/29/79/48/636297948.db2.gz JUFNBKQLGNDLBU-LJQANCHMSA-N 1 0 282.453 2.343 20 10 CECDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000827662396 636380547 /nfs/dbraw/zinc/38/05/47/636380547.db2.gz QISXTXJJFXGONV-HIFRSBDPSA-N 1 0 274.408 2.393 20 10 CECDRO C[C@@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1O ZINC000827936714 636463912 /nfs/dbraw/zinc/46/39/12/636463912.db2.gz AYZPMLQHZYLOLQ-FRRDWIJNSA-N 1 0 276.380 2.442 20 10 CECDRO CCC[N@H+](CCNC(=O)NC(C)C)Cc1ccccc1O ZINC000827959245 636471339 /nfs/dbraw/zinc/47/13/39/636471339.db2.gz OPJGJMGVOGLDIY-UHFFFAOYSA-N 1 0 293.411 2.312 20 10 CECDRO C[C@H](NC(=O)C1([NH+](C)C)CCC1)c1ccccc1O ZINC000827964705 636473338 /nfs/dbraw/zinc/47/33/38/636473338.db2.gz RWXXZUXPDDOZFY-NSHDSACASA-N 1 0 262.353 2.054 20 10 CECDRO CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1O)C1CC1 ZINC000827973608 636475670 /nfs/dbraw/zinc/47/56/70/636475670.db2.gz URVUTPCALKDKST-NSHDSACASA-N 1 0 262.353 2.054 20 10 CECDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccccc1O ZINC000828015777 636486562 /nfs/dbraw/zinc/48/65/62/636486562.db2.gz MPLCFSFCLHDDLU-KGLIPLIRSA-N 1 0 276.380 2.306 20 10 CECDRO C[NH2+]CCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000828988092 636746456 /nfs/dbraw/zinc/74/64/56/636746456.db2.gz MAZMYXHCRXKPHT-UHFFFAOYSA-N 1 0 289.423 2.149 20 10 CECDRO Cc1cocc1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876507145 650295003 /nfs/dbraw/zinc/29/50/03/650295003.db2.gz WORKRFOHRYTHDY-HNNXBMFYSA-N 1 0 287.363 2.084 20 10 CECDRO Cc1ccc(C[NH+]2CCN(c3ccccn3)CC2)c(O)c1 ZINC000876528345 650305246 /nfs/dbraw/zinc/30/52/46/650305246.db2.gz USRXTBOZRSQOHO-UHFFFAOYSA-N 1 0 283.375 2.418 20 10 CECDRO [NH3+][C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)C1CC1 ZINC000830597560 637107287 /nfs/dbraw/zinc/10/72/87/637107287.db2.gz OHBHUHQGVGILTL-OAHLLOKOSA-N 1 0 288.391 2.015 20 10 CECDRO Cc1ccc(C[N@H+](C)CC(=O)NC(C)(C)C)c(O)c1 ZINC000876548484 650319219 /nfs/dbraw/zinc/31/92/19/650319219.db2.gz IOFLREAPARTIKL-UHFFFAOYSA-N 1 0 264.369 2.047 20 10 CECDRO C[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000832281584 637532722 /nfs/dbraw/zinc/53/27/22/637532722.db2.gz UNXOVSDFYAYCNB-BLLLJJGKSA-N 1 0 289.423 2.305 20 10 CECDRO CCCN(CCC[NH+](C)C)C(=O)C1=CC(=O)CS1 ZINC000832827328 637690536 /nfs/dbraw/zinc/69/05/36/637690536.db2.gz XJAHIGHSPRFSEX-UHFFFAOYSA-N 1 0 270.398 2.258 20 10 CECDRO CN(C(=O)/C=C/[C@@H]1CCC[NH2+]C1)c1ccc(F)c(F)c1 ZINC000876620406 650363429 /nfs/dbraw/zinc/36/34/29/650363429.db2.gz NYVLYYUKPPTWDR-ZPMKCOPCSA-N 1 0 280.318 2.483 20 10 CECDRO CCCNC(=O)C[N@H+](CCC)Cc1ccc(C)cc1O ZINC000876624754 650365422 /nfs/dbraw/zinc/36/54/22/650365422.db2.gz JGKXEXNLYINSQJ-UHFFFAOYSA-N 1 0 278.396 2.439 20 10 CECDRO COCC[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000101597622 637898165 /nfs/dbraw/zinc/89/81/65/637898165.db2.gz FVQHUKCTKHKYBL-AWEZNQCLSA-N 1 0 278.396 2.038 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000834844648 637967654 /nfs/dbraw/zinc/96/76/54/637967654.db2.gz SRXJNRPWVNSVDN-IUODEOHRSA-N 1 0 267.369 2.139 20 10 CECDRO CCN1C[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1=O ZINC000834892370 637979890 /nfs/dbraw/zinc/97/98/90/637979890.db2.gz VCRDIIYKSRMFAF-CHWSQXEVSA-N 1 0 276.380 2.280 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)CC(=O)NC)c1ccc(C)cc1O ZINC000834898660 637981877 /nfs/dbraw/zinc/98/18/77/637981877.db2.gz ATVNGDOAAKENNX-DGCLKSJQSA-N 1 0 264.369 2.266 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)c2c1c(F)ccc2O ZINC000834905880 637983582 /nfs/dbraw/zinc/98/35/82/637983582.db2.gz AFRZADDUQWHXMS-DTHBNOIPSA-N 1 0 292.354 2.323 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000835028856 638030820 /nfs/dbraw/zinc/03/08/20/638030820.db2.gz UFGYLHMIHKXBRE-NHZBNJEXSA-N 1 0 260.381 2.080 20 10 CECDRO CC[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)C[C@@H]1O ZINC000835028887 638031128 /nfs/dbraw/zinc/03/11/28/638031128.db2.gz LVFMGBOFNJFZTM-FHYYHZITSA-N 1 0 274.408 2.469 20 10 CECDRO CC(C)[C@@H](O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835039787 638034257 /nfs/dbraw/zinc/03/42/57/638034257.db2.gz LMCXQXREDIOFEL-KJPDOMRESA-N 1 0 262.397 2.372 20 10 CECDRO CN(C)C(=O)CCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835038334 638034480 /nfs/dbraw/zinc/03/44/80/638034480.db2.gz VYQKDONHRGUTTJ-FNORWQNLSA-N 1 0 289.423 2.224 20 10 CECDRO COCC[C@](C)(O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835040507 638035081 /nfs/dbraw/zinc/03/50/81/638035081.db2.gz QFJJCKOHKOMUMD-OSJSJHBBSA-N 1 0 292.423 2.143 20 10 CECDRO C[C@@H]1C[N@H+](C/C=C\c2ccc(N(C)C)cc2)CC[C@H]1O ZINC000835044873 638035785 /nfs/dbraw/zinc/03/57/85/638035785.db2.gz ACYOOHDDHUCNOS-AYUWKEHRSA-N 1 0 274.408 2.469 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)OCCO)cc1 ZINC000835052602 638039624 /nfs/dbraw/zinc/03/96/24/638039624.db2.gz HQSKAQHYKHICSV-AATRIKPKSA-N 1 0 292.423 2.143 20 10 CECDRO C[C@@H](CN(C)C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835053636 638040305 /nfs/dbraw/zinc/04/03/05/638040305.db2.gz OQWWEAXUBGCWQJ-UZYOAWRESA-N 1 0 261.413 2.306 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000835057050 638041782 /nfs/dbraw/zinc/04/17/82/638041782.db2.gz XTSHHAKRGKWEFO-IMBPEULASA-N 1 0 285.435 2.402 20 10 CECDRO C[N@H+](CCCC[NH2+]Cc1cccc(F)c1[O-])C1CC1 ZINC000835063139 638044162 /nfs/dbraw/zinc/04/41/62/638044162.db2.gz HPUZWFIMEHBHHN-UHFFFAOYSA-N 1 0 266.360 2.495 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000876813983 650443867 /nfs/dbraw/zinc/44/38/67/650443867.db2.gz HLVZATNKNFHKOY-UHFFFAOYSA-N 1 0 286.379 2.204 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000151077233 639194109 /nfs/dbraw/zinc/19/41/09/639194109.db2.gz LXWHAHLAEDGMAO-QGZVFWFLSA-N 1 0 290.407 2.038 20 10 CECDRO Cc1ccc(C[NH2+]C[C@@H](C(C)C)N2CCOCC2)c(O)c1 ZINC000876908487 650481423 /nfs/dbraw/zinc/48/14/23/650481423.db2.gz MQOSJAYSYNKOFF-INIZCTEOSA-N 1 0 292.423 2.147 20 10 CECDRO COc1cc(C)cc(C[NH+]2CCC([C@@H](C)O)CC2)c1O ZINC000164372112 639366169 /nfs/dbraw/zinc/36/61/69/639366169.db2.gz BCBHCZQKYQSYCZ-GFCCVEGCSA-N 1 0 279.380 2.302 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)[C@@H]1OC ZINC000156979453 639407479 /nfs/dbraw/zinc/40/74/79/639407479.db2.gz NMMGHTBSGUQCKX-XHSDSOJGSA-N 1 0 278.396 2.035 20 10 CECDRO COCCCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876935134 650493639 /nfs/dbraw/zinc/49/36/39/650493639.db2.gz QLKWWGOKFYCZIJ-UHFFFAOYSA-N 1 0 292.423 2.164 20 10 CECDRO CC(C)[N@H+](C)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000057559446 639451300 /nfs/dbraw/zinc/45/13/00/639451300.db2.gz RXSNJTZYUPNMKG-UHFFFAOYSA-N 1 0 289.423 2.025 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000876948852 650501562 /nfs/dbraw/zinc/50/15/62/650501562.db2.gz VQHNKTMWZSHTMC-UHFFFAOYSA-N 1 0 298.386 2.449 20 10 CECDRO COCCOCCCC[NH2+][C@H](C)c1ccccc1O ZINC000167443021 639516988 /nfs/dbraw/zinc/51/69/88/639516988.db2.gz LNXAJKJBWANROG-CYBMUJFWSA-N 1 0 267.369 2.486 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](CCO)Cc1cccnc1 ZINC000840914528 639584523 /nfs/dbraw/zinc/58/45/23/639584523.db2.gz VDFBUSLEILKADR-UHFFFAOYSA-N 1 0 299.418 2.451 20 10 CECDRO Cc1cc(N(C)C)ccc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000840917428 639585453 /nfs/dbraw/zinc/58/54/53/639585453.db2.gz KHGPYPULPJQCRW-DOTOQJQBSA-N 1 0 273.424 2.245 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CCO)C1CC1 ZINC000840934886 639591045 /nfs/dbraw/zinc/59/10/45/639591045.db2.gz XIYGFKVIKBPNQX-MRXNPFEDSA-N 1 0 262.397 2.312 20 10 CECDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933935 639591740 /nfs/dbraw/zinc/59/17/40/639591740.db2.gz KYYZRAHCGQJVCC-IUODEOHRSA-N 1 0 282.453 2.263 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1ccn(C)n1 ZINC000840938774 639592774 /nfs/dbraw/zinc/59/27/74/639592774.db2.gz GZOMOFPAJBJOFN-UHFFFAOYSA-N 1 0 272.396 2.127 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)CC1CC1 ZINC000840937776 639593032 /nfs/dbraw/zinc/59/30/32/639593032.db2.gz XRWBPHUZFNSIHZ-HNNXBMFYSA-N 1 0 262.397 2.312 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000840940081 639593963 /nfs/dbraw/zinc/59/39/63/639593963.db2.gz VEMLYRNYDOYCSN-DJJJIMSYSA-N 1 0 282.453 2.260 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000840942676 639595789 /nfs/dbraw/zinc/59/57/89/639595789.db2.gz UGJKZTWTMOWKDH-AWEZNQCLSA-N 1 0 289.423 2.162 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](CO)c1cccnc1 ZINC000840945634 639596910 /nfs/dbraw/zinc/59/69/10/639596910.db2.gz RSKDPTNZFMARAH-QGZVFWFLSA-N 1 0 299.418 2.322 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](CO)C(C)C ZINC000840946268 639597758 /nfs/dbraw/zinc/59/77/58/639597758.db2.gz MLIIYHPNPOBXTF-OAHLLOKOSA-N 1 0 264.413 2.415 20 10 CECDRO COCC[C@H](C)C[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000840954481 639600052 /nfs/dbraw/zinc/60/00/52/639600052.db2.gz FQXCIWHLFCGNGV-NSHDSACASA-N 1 0 283.368 2.172 20 10 CECDRO CN(CC[NH2+]Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000227760527 639604055 /nfs/dbraw/zinc/60/40/55/639604055.db2.gz DZBMIHBPNLSKSU-UHFFFAOYSA-N 1 0 280.368 2.349 20 10 CECDRO Cc1cccc(O)c1C[NH2+]Cc1ccccc1CO ZINC000876967227 650511151 /nfs/dbraw/zinc/51/11/51/650511151.db2.gz DLGQQCROEHQCSM-UHFFFAOYSA-N 1 0 257.333 2.483 20 10 CECDRO Cc1cccc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c1O ZINC000840977127 639606935 /nfs/dbraw/zinc/60/69/35/639606935.db2.gz RXYFFPMZWWPHSI-CQSZACIVSA-N 1 0 276.380 2.190 20 10 CECDRO CCOCc1cc(CNCC(C)(C)[NH3+])ccc1OC ZINC000841029787 639622720 /nfs/dbraw/zinc/62/27/20/639622720.db2.gz AOXYSGPTGVSLFD-UHFFFAOYSA-N 1 0 266.385 2.059 20 10 CECDRO CCC([NH3+])(CC)CNCc1c(O)cccc1OC ZINC000841030389 639622834 /nfs/dbraw/zinc/62/28/34/639622834.db2.gz HDPYCMIQRLRTGV-UHFFFAOYSA-N 1 0 252.358 2.008 20 10 CECDRO [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841057881 639635834 /nfs/dbraw/zinc/63/58/34/639635834.db2.gz LSRCMYOUNPDCSI-VIFPVBQESA-N 1 0 272.751 2.416 20 10 CECDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CC[NH2+]1 ZINC000841061541 639637662 /nfs/dbraw/zinc/63/76/62/639637662.db2.gz JYCXQJKCLMUKCL-GXSJLCMTSA-N 1 0 299.212 2.385 20 10 CECDRO CCOCc1cc(CNC[C@@H]([NH3+])CC)ccc1OC ZINC000841070139 639642487 /nfs/dbraw/zinc/64/24/87/639642487.db2.gz MBGXOFFYVCSUAA-AWEZNQCLSA-N 1 0 266.385 2.059 20 10 CECDRO Cc1cc(O)c(CN[C@@H](CC[NH3+])C(F)F)c(Cl)c1 ZINC000841075134 639645923 /nfs/dbraw/zinc/64/59/23/639645923.db2.gz WKNXONUBDSIONE-JTQLQIEISA-N 1 0 278.730 2.426 20 10 CECDRO C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(Br)c1[O-] ZINC000841081333 639649274 /nfs/dbraw/zinc/64/92/74/639649274.db2.gz URUGXWSESKGYEE-VIFPVBQESA-N 1 0 287.201 2.372 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](CN)C(C)(C)C)c1 ZINC000841087722 639652043 /nfs/dbraw/zinc/65/20/43/639652043.db2.gz RQILOSFIHIFHTH-AWEZNQCLSA-N 1 0 266.385 2.254 20 10 CECDRO Oc1ccc(Cl)cc1CN[C@@H]1CCCC[NH2+]C1 ZINC000841091470 639654214 /nfs/dbraw/zinc/65/42/14/639654214.db2.gz YNGJLNIQOCKDBR-GFCCVEGCSA-N 1 0 254.761 2.277 20 10 CECDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(N)cc1 ZINC000841301680 639733040 /nfs/dbraw/zinc/73/30/40/639733040.db2.gz DBZUWFDAJYWSCQ-GFCCVEGCSA-N 1 0 276.384 2.265 20 10 CECDRO COc1cccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c1O ZINC000230154032 639743000 /nfs/dbraw/zinc/74/30/00/639743000.db2.gz WPKFLCTWONQEEX-YGRLFVJLSA-N 1 0 251.326 2.058 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ccccc1O ZINC000230206246 639746577 /nfs/dbraw/zinc/74/65/77/639746577.db2.gz QZZFOKUVORUCME-WDEREUQCSA-N 1 0 251.326 2.194 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(OC)C2)c1 ZINC000230673637 639778707 /nfs/dbraw/zinc/77/87/07/639778707.db2.gz HUOJZMHSDSFFMO-GRZMOONWSA-N 1 0 251.326 2.229 20 10 CECDRO C[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(Cl)cc1O ZINC000841753369 639858402 /nfs/dbraw/zinc/85/84/02/639858402.db2.gz SKXUPLFQKOWSHO-PKFCDNJMSA-N 1 0 285.771 2.236 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000841940534 639908933 /nfs/dbraw/zinc/90/89/33/639908933.db2.gz CZXUHZGQWMFQFR-AWEZNQCLSA-N 1 0 291.395 2.066 20 10 CECDRO C[N@@H+](Cc1cc2c(cc1O)CCC2)C[C@H]1CCCO1 ZINC000151732506 640073241 /nfs/dbraw/zinc/07/32/41/640073241.db2.gz BWNWTUIXJMBMHS-OAHLLOKOSA-N 1 0 261.365 2.492 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c1O ZINC000842478599 640077934 /nfs/dbraw/zinc/07/79/34/640077934.db2.gz LDCOACARPABGLJ-MFKMUULPSA-N 1 0 294.370 2.151 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c(O)c1 ZINC000877045114 650545208 /nfs/dbraw/zinc/54/52/08/650545208.db2.gz QDMODHQCBQBQPY-HIFRSBDPSA-N 1 0 290.407 2.437 20 10 CECDRO CNC(=O)c1cccc(CC[NH2+]Cc2c(C)cccc2O)c1 ZINC000877058738 650552600 /nfs/dbraw/zinc/55/26/00/650552600.db2.gz LTLKEMXCKVBXGG-UHFFFAOYSA-N 1 0 298.386 2.393 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC(=O)N(CC)OC)cc1 ZINC000842767815 640175113 /nfs/dbraw/zinc/17/51/13/640175113.db2.gz JIOKRQCNWXRMSY-UHFFFAOYSA-N 1 0 293.411 2.032 20 10 CECDRO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cc(F)ccc1O ZINC000842921382 640221099 /nfs/dbraw/zinc/22/10/99/640221099.db2.gz YFXCRDQDKKZVBN-BDJLRTHQSA-N 1 0 297.370 2.360 20 10 CECDRO C[NH2+][C@@H]1CCN(Cc2c(O)cc(C)cc2Cl)C1 ZINC000843045141 640244227 /nfs/dbraw/zinc/24/42/27/640244227.db2.gz MPPIMTJVYFTGLU-SNVBAGLBSA-N 1 0 254.761 2.148 20 10 CECDRO CN(C(=O)CCCC[NH+]1CCCC1)c1ccc(N)cc1 ZINC000877077544 650562057 /nfs/dbraw/zinc/56/20/57/650562057.db2.gz MJLRKMRTKNJUMU-UHFFFAOYSA-N 1 0 275.396 2.498 20 10 CECDRO CC[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1[NH3+] ZINC000843052333 640256258 /nfs/dbraw/zinc/25/62/58/640256258.db2.gz OPTXIDQXOITQHN-ZFWWWQNUSA-N 1 0 279.403 2.451 20 10 CECDRO CN(C)c1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)cc1F ZINC000843055519 640257463 /nfs/dbraw/zinc/25/74/63/640257463.db2.gz LAJFQUYQJCCVLA-AWEZNQCLSA-N 1 0 277.387 2.218 20 10 CECDRO C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000843057245 640260021 /nfs/dbraw/zinc/26/00/21/640260021.db2.gz HLDLCABARLOYOP-ZJUUUORDSA-N 1 0 299.212 2.324 20 10 CECDRO CCN(CC)c1ccc(CN2CCO[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000843056920 640260302 /nfs/dbraw/zinc/26/03/02/640260302.db2.gz CAYZIMTZWAXRTM-WMLDXEAASA-N 1 0 291.439 2.081 20 10 CECDRO C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843058740 640261502 /nfs/dbraw/zinc/26/15/02/640261502.db2.gz XFIHVOZAOZEKNW-IUCAKERBSA-N 1 0 299.758 2.123 20 10 CECDRO CN(C)c1ccc(CN2CC[NH2+]C[C@H]2c2ccncc2)cc1 ZINC000843120342 640288957 /nfs/dbraw/zinc/28/89/57/640288957.db2.gz GIOWRRRTGUFMLN-SFHVURJKSA-N 1 0 296.418 2.294 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120540 640289260 /nfs/dbraw/zinc/28/92/60/640289260.db2.gz PBAYYRJCZIBYTP-AWEZNQCLSA-N 1 0 266.772 2.231 20 10 CECDRO CN(C)c1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000843120252 640289349 /nfs/dbraw/zinc/28/93/49/640289349.db2.gz BGFUFSREWFNVHS-INIZCTEOSA-N 1 0 277.387 2.077 20 10 CECDRO Oc1ccc(F)cc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000843128384 640295272 /nfs/dbraw/zinc/29/52/72/640295272.db2.gz KPIRPBBYUQZXBQ-CQSZACIVSA-N 1 0 264.344 2.296 20 10 CECDRO Cc1noc([C@@H](C)N2CCCc3cc(C[NH3+])ccc32)n1 ZINC000843349536 640398848 /nfs/dbraw/zinc/39/88/48/640398848.db2.gz CKGZOFNMWKOEKM-SNVBAGLBSA-N 1 0 272.352 2.351 20 10 CECDRO CC(C)CNC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350213 640399191 /nfs/dbraw/zinc/39/91/91/640399191.db2.gz PLXJGLXOPIDQST-ZDUSSCGKSA-N 1 0 289.423 2.059 20 10 CECDRO Oc1ccccc1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000843417391 640421684 /nfs/dbraw/zinc/42/16/84/640421684.db2.gz FIFIQWVDPANNLN-CQSZACIVSA-N 1 0 265.378 2.100 20 10 CECDRO C[NH2+]CCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843486630 640441366 /nfs/dbraw/zinc/44/13/66/640441366.db2.gz XWTVAEZKRKZPQL-UHFFFAOYSA-N 1 0 291.439 2.489 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCNc1ccccn1 ZINC000877150110 650596982 /nfs/dbraw/zinc/59/69/82/650596982.db2.gz XEOUSSFZKZVYSL-UHFFFAOYSA-N 1 0 257.337 2.297 20 10 CECDRO Cc1ccc(C[NH2+][C@@H](C)c2nnc3n2CCC3)c(O)c1 ZINC000877166210 650606261 /nfs/dbraw/zinc/60/62/61/650606261.db2.gz POYOEZZUJSLOLU-NSHDSACASA-N 1 0 272.352 2.089 20 10 CECDRO [NH3+]CC1(CC[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000844902293 640860609 /nfs/dbraw/zinc/86/06/09/640860609.db2.gz OVKLTQZPPGVSPK-UHFFFAOYSA-N 1 0 299.758 2.172 20 10 CECDRO C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000844920054 640866102 /nfs/dbraw/zinc/86/61/02/640866102.db2.gz JGNHJPORZBZTGM-JTQLQIEISA-N 1 0 279.340 2.080 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(C)=O)C2)cc1C ZINC000994567175 640954551 /nfs/dbraw/zinc/95/45/51/640954551.db2.gz CBYRURCADOOZJI-HZPDHXFCSA-N 1 0 290.407 2.398 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cncnc2OC)c1 ZINC000845971909 641142078 /nfs/dbraw/zinc/14/20/78/641142078.db2.gz NZWWHMXPCDGRQQ-JTQLQIEISA-N 1 0 289.335 2.050 20 10 CECDRO CCn1cncc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000845971877 641142215 /nfs/dbraw/zinc/14/22/15/641142215.db2.gz NMGHCGNNCJDKOS-LLVKDONJSA-N 1 0 275.352 2.468 20 10 CECDRO OC[C@@H](CCF)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000846095586 641179211 /nfs/dbraw/zinc/17/92/11/641179211.db2.gz BKWVXEQUJOXZSX-OAHLLOKOSA-N 1 0 280.387 2.487 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113430 641187887 /nfs/dbraw/zinc/18/78/87/641187887.db2.gz YEQDXMQTWHDHSR-AOOOYVTPSA-N 1 0 255.264 2.098 20 10 CECDRO CCN(CC)CC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846135713 641197754 /nfs/dbraw/zinc/19/77/54/641197754.db2.gz FTGLIRMDFONSNP-GFCCVEGCSA-N 1 0 266.385 2.393 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CN2CCCC2=O)c1O ZINC000846145048 641200303 /nfs/dbraw/zinc/20/03/03/641200303.db2.gz OHBXYXSHOMLUOK-NWDGAFQWSA-N 1 0 292.379 2.062 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](CCO)CSC)c1O ZINC000846144528 641200664 /nfs/dbraw/zinc/20/06/64/641200664.db2.gz LCXJSAZIHXRUFM-MNOVXSKESA-N 1 0 285.409 2.165 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)c1O ZINC000846144563 641200967 /nfs/dbraw/zinc/20/09/67/641200967.db2.gz MJZGPDGZWXYVPV-VXGBXAGGSA-N 1 0 264.369 2.146 20 10 CECDRO COCCOC[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846155997 641205449 /nfs/dbraw/zinc/20/54/49/641205449.db2.gz RKDQTBBVVCOCAY-NWDGAFQWSA-N 1 0 283.368 2.103 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)c1O ZINC000846157898 641207192 /nfs/dbraw/zinc/20/71/92/641207192.db2.gz PFOWYRPGLCWBLQ-DTWKUNHWSA-N 1 0 293.285 2.365 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](CO)C(C)C)c1O ZINC000846169869 641211976 /nfs/dbraw/zinc/21/19/76/641211976.db2.gz GNMFGKWGFYTXKV-RYUDHWBXSA-N 1 0 267.369 2.316 20 10 CECDRO CC[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(C)cc1O ZINC000846193167 641219564 /nfs/dbraw/zinc/21/95/64/641219564.db2.gz KJOPSIGJDBGFRJ-GOEBONIOSA-N 1 0 279.380 2.283 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c(O)c1 ZINC000846204643 641219926 /nfs/dbraw/zinc/21/99/26/641219926.db2.gz AGNYHRXPPZXHBT-QWHCGFSZSA-N 1 0 288.391 2.362 20 10 CECDRO CCN1C[C@@H](C[NH2+][C@H](C)c2cc(F)ccc2O)CC1=O ZINC000846207497 641221867 /nfs/dbraw/zinc/22/18/67/641221867.db2.gz CFUZFEQEIJLQCJ-GHMZBOCLSA-N 1 0 280.343 2.050 20 10 CECDRO C[C@H](NC(=O)CCC(C)(C)[NH3+])c1ccccc1O ZINC000877255477 650644280 /nfs/dbraw/zinc/64/42/80/650644280.db2.gz DVEKSVSQHCLIMB-JTQLQIEISA-N 1 0 250.342 2.087 20 10 CECDRO Nc1cc[nH+]cc1C(=O)NCCCSc1nccs1 ZINC000187778573 641474858 /nfs/dbraw/zinc/47/48/58/641474858.db2.gz IGXQGPUUPPGUBX-UHFFFAOYSA-N 1 0 294.405 2.033 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)COCC(C)C)c1 ZINC000182316530 641645022 /nfs/dbraw/zinc/64/50/22/641645022.db2.gz JPOQTBSSIIEDJQ-STQMWFEESA-N 1 0 297.395 2.085 20 10 CECDRO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877380882 650695839 /nfs/dbraw/zinc/69/58/39/650695839.db2.gz WVYUCIFGCHDLTE-CYBMUJFWSA-N 1 0 263.337 2.228 20 10 CECDRO COc1cccc(C[N@@H+]2CCN(C)C[C@@H]2C(C)C)c1O ZINC000184737438 641898054 /nfs/dbraw/zinc/89/80/54/641898054.db2.gz NSDLIYCTELOAPL-CQSZACIVSA-N 1 0 278.396 2.173 20 10 CECDRO CC[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccccc1O ZINC000848562237 642054313 /nfs/dbraw/zinc/05/43/13/642054313.db2.gz BNUWSBBYQJDHMQ-YPMHNXCESA-N 1 0 286.379 2.119 20 10 CECDRO Oc1ccccc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848575651 642062537 /nfs/dbraw/zinc/06/25/37/642062537.db2.gz URHHWBSKPCTISU-GJZGRUSLSA-N 1 0 260.381 2.499 20 10 CECDRO CCc1cccc(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)c1O ZINC000848886195 642170540 /nfs/dbraw/zinc/17/05/40/642170540.db2.gz UXCHVBCAZLZLEQ-GJZGRUSLSA-N 1 0 288.391 2.198 20 10 CECDRO CCc1cccc(C[N@H+](CCO)Cc2cccnc2)c1O ZINC000848885568 642170751 /nfs/dbraw/zinc/17/07/51/642170751.db2.gz KQYCEKPPJARCSS-UHFFFAOYSA-N 1 0 286.375 2.344 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](O)c2ccco2)c1O ZINC000848892574 642174796 /nfs/dbraw/zinc/17/47/96/642174796.db2.gz ATYGCXIAKFMKFP-ZDUSSCGKSA-N 1 0 261.321 2.371 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1O ZINC000848899163 642177840 /nfs/dbraw/zinc/17/78/40/642177840.db2.gz DFGQZXPASVDGRH-WBVHZDCISA-N 1 0 291.391 2.382 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(CC)c2O)C1 ZINC000848899293 642177938 /nfs/dbraw/zinc/17/79/38/642177938.db2.gz MSDAIBSNGSPKHB-AWEZNQCLSA-N 1 0 276.380 2.055 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)C(=O)N[C@H](C)CC)c1O ZINC000848899385 642178173 /nfs/dbraw/zinc/17/81/73/642178173.db2.gz FOYSAOVVYVTXDT-NEPJUHHUSA-N 1 0 278.396 2.347 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)c1O ZINC000848907305 642184120 /nfs/dbraw/zinc/18/41/20/642184120.db2.gz LDFJJORYLUQPLV-CWTRNNRKSA-N 1 0 281.421 2.155 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1O ZINC000848914354 642188533 /nfs/dbraw/zinc/18/85/33/642188533.db2.gz IBEBOBUKRCEBOM-LSDHHAIUSA-N 1 0 288.391 2.198 20 10 CECDRO CCc1cccc(CN2CC(OCC(F)F)C2)c1O ZINC000848916740 642189666 /nfs/dbraw/zinc/18/96/66/642189666.db2.gz MAQWIXMSAKDETR-UHFFFAOYSA-N 1 0 271.307 2.421 20 10 CECDRO C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000817982081 642192814 /nfs/dbraw/zinc/19/28/14/642192814.db2.gz XEPDMPGSFBFCPW-BXKDBHETSA-N 1 0 256.296 2.040 20 10 CECDRO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(C)C)c(O)c1 ZINC000877461359 650730027 /nfs/dbraw/zinc/73/00/27/650730027.db2.gz DWWVKNMYAALYPL-AWEZNQCLSA-N 1 0 276.380 2.047 20 10 CECDRO Cc1cccc(C[NH2+]C[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000848922988 642194882 /nfs/dbraw/zinc/19/48/82/642194882.db2.gz BABDFUXFCYDVHF-KFWWJZLASA-N 1 0 292.423 2.288 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1O ZINC000848929832 642199095 /nfs/dbraw/zinc/19/90/95/642199095.db2.gz JTTQAMUFZIHZKI-AWEZNQCLSA-N 1 0 290.363 2.027 20 10 CECDRO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(C)cc1O ZINC000877464723 650731875 /nfs/dbraw/zinc/73/18/75/650731875.db2.gz LPANPSLEPIQSPX-INWMFGNUSA-N 1 0 289.375 2.474 20 10 CECDRO C[N@@H+]1CCCC[C@H]1C(=O)NCCCSc1nccs1 ZINC000736680740 642236171 /nfs/dbraw/zinc/23/61/71/642236171.db2.gz RXUNQAUZERHLIV-NSHDSACASA-N 1 0 299.465 2.226 20 10 CECDRO [NH2+]=C(NCc1cc(Br)ccc1O)NC1CCC1 ZINC000849027667 642241274 /nfs/dbraw/zinc/24/12/74/642241274.db2.gz CHYWPPBETPLVGL-UHFFFAOYSA-N 1 0 298.184 2.321 20 10 CECDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921563591 642243702 /nfs/dbraw/zinc/24/37/02/642243702.db2.gz NPRYLOXFITVVSQ-ZDUSSCGKSA-N 1 0 288.391 2.112 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@]2(C)CCCOC2)c1 ZINC000771893907 642249157 /nfs/dbraw/zinc/24/91/57/642249157.db2.gz SFPZHKXUVATZMF-OAHLLOKOSA-N 1 0 265.353 2.450 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c1 ZINC000186185239 642310454 /nfs/dbraw/zinc/31/04/54/642310454.db2.gz ZCQBPVXGCKMVLA-LBPRGKRZSA-N 1 0 297.420 2.176 20 10 CECDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2c(C)cccc2O)C1 ZINC000877491484 650748286 /nfs/dbraw/zinc/74/82/86/650748286.db2.gz ULVAICKSQPQEBW-CQSZACIVSA-N 1 0 276.380 2.049 20 10 CECDRO CC[C@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@]2(CCOC2)O1 ZINC000877492570 650748417 /nfs/dbraw/zinc/74/84/17/650748417.db2.gz LZRMOCPCRMSNHI-RDJZCZTQSA-N 1 0 291.391 2.471 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000877505147 650756153 /nfs/dbraw/zinc/75/61/53/650756153.db2.gz XMUPYHGCBFSQSN-CYBMUJFWSA-N 1 0 298.390 2.452 20 10 CECDRO COC(=O)C(C)(C)CC[NH2+]Cc1c(C)cccc1O ZINC000877516196 650760922 /nfs/dbraw/zinc/76/09/22/650760922.db2.gz XOKZDLGFMONEHY-UHFFFAOYSA-N 1 0 265.353 2.380 20 10 CECDRO O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921738840 642568029 /nfs/dbraw/zinc/56/80/29/642568029.db2.gz UYRUQMARJCADHV-HUUCEWRRSA-N 1 0 261.365 2.405 20 10 CECDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850099603 642578171 /nfs/dbraw/zinc/57/81/71/642578171.db2.gz PSUHUSOZUDXYKX-CYZMBNFOSA-N 1 0 294.370 2.179 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CC(O)(c2ccccc2)C1 ZINC000877536847 650774870 /nfs/dbraw/zinc/77/48/70/650774870.db2.gz BYJVIOBKJUMHEG-UHFFFAOYSA-N 1 0 269.344 2.404 20 10 CECDRO COC[C@H](CC[NH2+]C/C=C\c1ccc(N(C)C)cc1)OC ZINC000850345594 642674399 /nfs/dbraw/zinc/67/43/99/642674399.db2.gz FQQFZWPKXTZDDZ-OSJSJHBBSA-N 1 0 292.423 2.407 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@@H](C)O[C@@H]3C)C2)cc1 ZINC000850347861 642675648 /nfs/dbraw/zinc/67/56/48/642675648.db2.gz ZGTQNBKVUUQQHZ-VWPFQQQWSA-N 1 0 290.407 2.429 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1C ZINC000850387940 642695386 /nfs/dbraw/zinc/69/53/86/642695386.db2.gz DCONVJTWNQYZBJ-LSDHHAIUSA-N 1 0 261.365 2.402 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1O ZINC000850388805 642695667 /nfs/dbraw/zinc/69/56/67/642695667.db2.gz PVKXGUVHNYLMQP-ZIAGYGMSSA-N 1 0 277.364 2.184 20 10 CECDRO CCCN1CC[C@H]([NH2+]Cc2cc(OCC)ccc2O)C1 ZINC000850395491 642698933 /nfs/dbraw/zinc/69/89/33/642698933.db2.gz UEZNBABDTYVNLU-AWEZNQCLSA-N 1 0 278.396 2.365 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2nccn2C)c1 ZINC000850410656 642703300 /nfs/dbraw/zinc/70/33/00/642703300.db2.gz ZGXHZVBCPNUMEV-NSHDSACASA-N 1 0 275.352 2.375 20 10 CECDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000850484705 642728730 /nfs/dbraw/zinc/72/87/30/642728730.db2.gz OSEQZXIKIHJXGD-UKPHBRMFSA-N 1 0 292.423 2.455 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@H](OC)[C@H]2CCOC2)c1O ZINC000850484284 642728882 /nfs/dbraw/zinc/72/88/82/642728882.db2.gz GHVUCPIRMUYKDA-HUBLWGQQSA-N 1 0 295.379 2.103 20 10 CECDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1O)[C@@H]1CCOC1 ZINC000850484288 642729123 /nfs/dbraw/zinc/72/91/23/642729123.db2.gz GKEYJPUYBQXPCU-LALPHHSUSA-N 1 0 265.353 2.094 20 10 CECDRO COC[C@H]([NH2+][C@@H](C)c1ccccc1O)C1CCOCC1 ZINC000850493368 642731781 /nfs/dbraw/zinc/73/17/81/642731781.db2.gz VWGUZDVSHZWVCV-WFASDCNBSA-N 1 0 279.380 2.484 20 10 CECDRO C[C@@H]([NH2+]C/C=C/CO)c1ccc(Br)cc1O ZINC000850507906 642734906 /nfs/dbraw/zinc/73/49/06/642734906.db2.gz IXKQIKFBZNZGSM-GKQMSVHHSA-N 1 0 286.169 2.354 20 10 CECDRO Cc1ccc(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)c(O)c1 ZINC000877560462 650789230 /nfs/dbraw/zinc/78/92/30/650789230.db2.gz RGVBLJACNSKOEV-AWEZNQCLSA-N 1 0 292.379 2.363 20 10 CECDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c(=O)n1C ZINC000922069389 642864662 /nfs/dbraw/zinc/86/46/62/642864662.db2.gz VOMZKENFTLMFLO-UHFFFAOYSA-N 1 0 298.386 2.309 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3cc[nH]c(=O)c3)C2)cc1 ZINC000922238150 642974513 /nfs/dbraw/zinc/97/45/13/642974513.db2.gz QZBGMISSVXWEKI-CQSZACIVSA-N 1 0 299.374 2.164 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000877616134 650815809 /nfs/dbraw/zinc/81/58/09/650815809.db2.gz DRPRGEJEJQOZTN-UKRRQHHQSA-N 1 0 277.364 2.079 20 10 CECDRO CC[C@H](CN1CCOCC1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000922590374 643148219 /nfs/dbraw/zinc/14/82/19/643148219.db2.gz ROUGJXOFGLNDSD-MRXNPFEDSA-N 1 0 292.423 2.209 20 10 CECDRO Cc1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)c(O)c1 ZINC000877622449 650817686 /nfs/dbraw/zinc/81/76/86/650817686.db2.gz NPXASMZZWXCXRK-IBGZPJMESA-N 1 0 295.326 2.101 20 10 CECDRO CCN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1=O ZINC000922638030 643171531 /nfs/dbraw/zinc/17/15/31/643171531.db2.gz CQHKMQLTMDLQMZ-OAHLLOKOSA-N 1 0 288.391 2.112 20 10 CECDRO C[C@@H]1COC[C@@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000922642292 643180904 /nfs/dbraw/zinc/18/09/04/643180904.db2.gz PJGGVIGZOTZJID-DUIDPNDXSA-N 1 0 260.381 2.390 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccccn2)c1 ZINC000851900104 643215379 /nfs/dbraw/zinc/21/53/79/643215379.db2.gz PDDGCEFXMAJQKC-ZBEGNZNMSA-N 1 0 288.347 2.180 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000852465359 643434720 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ZINC000863647158 646776079 /nfs/dbraw/zinc/77/60/79/646776079.db2.gz XXUMPCHHEOJLBH-LZCSOBMZSA-N 1 0 273.424 2.496 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000863649313 646776314 /nfs/dbraw/zinc/77/63/14/646776314.db2.gz CEOMLPHMYXJFOD-DZGCQCFKSA-N 1 0 261.413 2.291 20 10 CECDRO CCN(C)c1ccc(C[NH2+][C@H](CCO)C2CC2)cc1 ZINC000773834980 646778742 /nfs/dbraw/zinc/77/87/42/646778742.db2.gz CVAZPBXFAZGAPS-MRXNPFEDSA-N 1 0 262.397 2.393 20 10 CECDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000774618423 646868073 /nfs/dbraw/zinc/86/80/73/646868073.db2.gz JTMYCPUDRLTBPU-YVLXSGLVSA-N 1 0 277.364 2.438 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccccc1O ZINC000775522023 646962621 /nfs/dbraw/zinc/96/26/21/646962621.db2.gz HMRPHOBZEAUHGV-NOLJZWGESA-N 1 0 278.396 2.152 20 10 CECDRO Cc1cc(Br)cc(CN2CC[NH2+][C@@H](C)C2)c1O ZINC000775638870 646974880 /nfs/dbraw/zinc/97/48/80/646974880.db2.gz JVLRZSFXNVAANN-JTQLQIEISA-N 1 0 299.212 2.257 20 10 CECDRO CC[C@H]1CCN(C(=[NH2+])NCc2cccc(OC)c2O)C1 ZINC000864456533 647011516 /nfs/dbraw/zinc/01/15/16/647011516.db2.gz IIELIIMMHJFDBL-NSHDSACASA-N 1 0 277.368 2.157 20 10 CECDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCc1ccc(N2CC=CC2)cc1 ZINC000864462688 647017315 /nfs/dbraw/zinc/01/73/15/647017315.db2.gz WQGZIGXCEMFWGH-IUODEOHRSA-N 1 0 270.380 2.085 20 10 CECDRO Cc1cccc(C[NH2+]CCC(=O)Nc2ccccn2)c1O ZINC000776078571 647020226 /nfs/dbraw/zinc/02/02/26/647020226.db2.gz ZIMNJRAXZGYEAY-UHFFFAOYSA-N 1 0 285.347 2.214 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@H]2OC)c1 ZINC000776256928 647043332 /nfs/dbraw/zinc/04/33/32/647043332.db2.gz SVRJSFMMSRENEG-IAQYHMDHSA-N 1 0 265.353 2.306 20 10 CECDRO Cn1ccnc1[C@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000776482198 647065181 /nfs/dbraw/zinc/06/51/81/647065181.db2.gz IYOALQRTWLLQHD-CQSZACIVSA-N 1 0 257.337 2.367 20 10 CECDRO C[C@H](Cc1cnccn1)[NH2+]Cc1cc(F)ccc1O ZINC000779059402 647283773 /nfs/dbraw/zinc/28/37/73/647283773.db2.gz FIBAABUUQZFHSA-SNVBAGLBSA-N 1 0 261.300 2.042 20 10 CECDRO CCC[C@@H](CCO)[NH2+]Cc1c(O)cccc1OC ZINC000865663265 647413928 /nfs/dbraw/zinc/41/39/28/647413928.db2.gz NJFUJTCEWAVXFP-NSHDSACASA-N 1 0 253.342 2.042 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c(O)c1 ZINC000865710500 647432821 /nfs/dbraw/zinc/43/28/21/647432821.db2.gz AWBCGMCXYNTHCV-QPUJVOFHSA-N 1 0 293.285 2.192 20 10 CECDRO COCC[N@H+](Cc1cc2c(cc1O)CCC2)[C@@H]1CCOC1 ZINC000782978134 647667758 /nfs/dbraw/zinc/66/77/58/647667758.db2.gz VEIXGBGMTPFTJS-MRXNPFEDSA-N 1 0 291.391 2.118 20 10 CECDRO COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000783505592 647722380 /nfs/dbraw/zinc/72/23/80/647722380.db2.gz IEWZPAVOYQOPGF-VXGBXAGGSA-N 1 0 278.352 2.274 20 10 CECDRO C[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccccc1O ZINC000783525756 647725195 /nfs/dbraw/zinc/72/51/95/647725195.db2.gz NVKQPUAZHSVFQA-LLVKDONJSA-N 1 0 272.352 2.099 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCOCC3(CC3)C2)cc1 ZINC000783594228 647734575 /nfs/dbraw/zinc/73/45/75/647734575.db2.gz FDDHIWZNXYIMNE-UHFFFAOYSA-N 1 0 260.381 2.365 20 10 CECDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000866418961 647780817 /nfs/dbraw/zinc/78/08/17/647780817.db2.gz ZWULAFDTGHWKSX-XKQJLSEDSA-N 1 0 290.407 2.087 20 10 CECDRO C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccccc1O ZINC000866437577 647786543 /nfs/dbraw/zinc/78/65/43/647786543.db2.gz KBNAUYRRHCBDKD-LBPRGKRZSA-N 1 0 295.379 2.401 20 10 CECDRO CC[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(C)cc1O ZINC000866495620 647805731 /nfs/dbraw/zinc/80/57/31/647805731.db2.gz FWZRBCHEHXPMLY-OAHLLOKOSA-N 1 0 298.390 2.420 20 10 CECDRO C[C@H]1OCC[C@H]1CN1CCCc2cc(C[NH3+])ccc21 ZINC000866659934 647858342 /nfs/dbraw/zinc/85/83/42/647858342.db2.gz YGJPNOWMWWNNAY-DOMZBBRYSA-N 1 0 260.381 2.323 20 10 CECDRO CCOc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C)c(O)c1 ZINC000784641321 647871626 /nfs/dbraw/zinc/87/16/26/647871626.db2.gz XKDNJWVPEOVHPS-XHDPSFHLSA-N 1 0 265.353 2.448 20 10 CECDRO COc1cccc(C[NH2+]CC[C@H](OC)C(F)(F)F)c1O ZINC000786824213 648048365 /nfs/dbraw/zinc/04/83/65/648048365.db2.gz SWZFUNACIMAVMM-NSHDSACASA-N 1 0 293.285 2.458 20 10 CECDRO CNC(=O)[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1O)C(C)C ZINC000787323752 648098992 /nfs/dbraw/zinc/09/89/92/648098992.db2.gz QGBSAYXNZGCZDK-LBPRGKRZSA-N 1 0 284.787 2.214 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)c(O)c1 ZINC000787420841 648107414 /nfs/dbraw/zinc/10/74/14/648107414.db2.gz KYLZOKDNDKSCTL-FZMZJTMJSA-N 1 0 293.363 2.174 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)[C@H]1C ZINC000787420672 648107623 /nfs/dbraw/zinc/10/76/23/648107623.db2.gz KIVASMJBJVRQBP-JOYOIKCWSA-N 1 0 283.755 2.429 20 10 CECDRO C[C@H](NC(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccccc1O ZINC000868371835 648110202 /nfs/dbraw/zinc/11/02/02/648110202.db2.gz HMXKCWXCBKMMFM-RYUDHWBXSA-N 1 0 291.395 2.235 20 10 CECDRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1O ZINC000868374393 648111246 /nfs/dbraw/zinc/11/12/46/648111246.db2.gz RBMHRNRPSHHQQW-XQQFMLRXSA-N 1 0 291.395 2.235 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1 ZINC000788270934 648167966 /nfs/dbraw/zinc/16/79/66/648167966.db2.gz XHBFETXFRURZQS-CJNGLKHVSA-N 1 0 262.397 2.488 20 10 CECDRO CO[C@]1(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CCOC1 ZINC000788748760 648219883 /nfs/dbraw/zinc/21/98/83/648219883.db2.gz AJRKNGIZHQTDNV-CJNGLKHVSA-N 1 0 279.380 2.465 20 10 CECDRO CCOc1ccc(C[NH2+]CCC2(O)CCC2)c(O)c1 ZINC000790637721 648437359 /nfs/dbraw/zinc/43/73/59/648437359.db2.gz MUGRQSFRTPJRDI-UHFFFAOYSA-N 1 0 265.353 2.186 20 10 CECDRO C[C@@H](CC[NH2+]Cc1c([O-])ccc(Cl)c1F)[S@](C)=O ZINC000790977419 648467354 /nfs/dbraw/zinc/46/73/54/648467354.db2.gz LONZFGJQBMPPPI-ASCAZGACSA-N 1 0 293.791 2.431 20 10 CECDRO CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1O)[C@H](C)[NH3+] ZINC000870987669 648970507 /nfs/dbraw/zinc/97/05/07/648970507.db2.gz ABYMNZPBDCNQBV-MISXGVKJSA-N 1 0 264.369 2.189 20 10 CECDRO Oc1cc2c(cc1C[NH+]1CCC(CCF)CC1)[C@H](O)CO2 ZINC000872648413 649448532 /nfs/dbraw/zinc/44/85/32/649448532.db2.gz LJLFBCGSOVCLBV-OAHLLOKOSA-N 1 0 295.354 2.390 20 10 CECDRO CCCOc1ccc(C[NH2+][C@]2(CCO)CCOC2)cc1C ZINC000873115098 649560483 /nfs/dbraw/zinc/56/04/83/649560483.db2.gz GGKTYCWVAUZRQQ-QGZVFWFLSA-N 1 0 293.407 2.415 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1C ZINC000873132987 649565903 /nfs/dbraw/zinc/56/59/03/649565903.db2.gz LTPJUXOUACVQSR-OKILXGFUSA-N 1 0 276.380 2.137 20 10 CECDRO C[N@@H+]1CC[C@@H](CC(=O)NCCCSc2nccs2)C1 ZINC000874464894 649778718 /nfs/dbraw/zinc/77/87/18/649778718.db2.gz MTIOIHJPFGKXDF-NSHDSACASA-N 1 0 299.465 2.083 20 10 CECDRO COc1coc(C[NH2+][C@H](C)c2ccccc2O)cc1=O ZINC000879648499 651335188 /nfs/dbraw/zinc/33/51/88/651335188.db2.gz RHBHPBQVFZTWCP-SNVBAGLBSA-N 1 0 275.304 2.205 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C)cc1 ZINC000880137164 651389844 /nfs/dbraw/zinc/38/98/44/651389844.db2.gz YZSXKGMMSLKUFS-SJORKVTESA-N 1 0 273.424 2.421 20 10 CECDRO CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000882942498 652280553 /nfs/dbraw/zinc/28/05/53/652280553.db2.gz FFWIXSCLHNCOHH-NSHDSACASA-N 1 0 284.350 2.492 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@H]2CCCS2(=O)=O)cc1C ZINC000883299285 652426687 /nfs/dbraw/zinc/42/66/87/652426687.db2.gz QCSVFPFSTPKKMI-CQSZACIVSA-N 1 0 297.420 2.066 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC[C@@H]2CCCS2(=O)=O)cc1C ZINC000883299284 652426888 /nfs/dbraw/zinc/42/68/88/652426888.db2.gz QCSVFPFSTPKKMI-AWEZNQCLSA-N 1 0 297.420 2.066 20 10 CECDRO COc1cccc(O)c1C[NH2+]C1CCC2(COC2)CC1 ZINC000883392017 652453103 /nfs/dbraw/zinc/45/31/03/652453103.db2.gz YHZZKXSDRDBDAP-UHFFFAOYSA-N 1 0 277.364 2.450 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132196408 652502996 /nfs/dbraw/zinc/50/29/96/652502996.db2.gz GMJWKLOHUNJCBM-OLZOCXBDSA-N 1 0 266.772 2.372 20 10 CECDRO CC[N@H+](CC(=O)NCCCSc1nccs1)C1CC1 ZINC000132417619 652519974 /nfs/dbraw/zinc/51/99/74/652519974.db2.gz MQUOANAABLZUSX-UHFFFAOYSA-N 1 0 299.465 2.226 20 10 CECDRO COCCOCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000134005315 652756553 /nfs/dbraw/zinc/75/65/53/652756553.db2.gz FKSUFCJNTULMKP-UHFFFAOYSA-N 1 0 279.380 2.154 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC[S@@](=O)CC)cc1 ZINC000134736598 652871979 /nfs/dbraw/zinc/87/19/79/652871979.db2.gz NIZJEWAEAULFIF-LJQANCHMSA-N 1 0 282.453 2.391 20 10 CECDRO Cc1cc2[nH+]ccn2cc1NCCc1cc(O)c(O)cc1O ZINC001168005453 805658193 /nfs/dbraw/zinc/65/81/93/805658193.db2.gz HPKLUANMNDYDRC-UHFFFAOYSA-N 1 0 299.330 2.414 20 10 CECDRO C[NH2+]C1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001204705928 806492454 /nfs/dbraw/zinc/49/24/54/806492454.db2.gz GQYVOGBVGJKAJJ-UHFFFAOYSA-N 1 0 259.397 2.081 20 10 CECDRO C[C@H](CC[NH2+]Cc1cccc(Cl)c1[O-])[NH+](C)C ZINC000697836564 806701942 /nfs/dbraw/zinc/70/19/42/806701942.db2.gz JJWARDFLPGKVHS-SNVBAGLBSA-N 1 0 256.777 2.475 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CCC2(COC2)CC1 ZINC001140057790 802549852 /nfs/dbraw/zinc/54/98/52/802549852.db2.gz MJXBTJOKDXHKAL-UHFFFAOYSA-N 1 0 251.301 2.144 20 10 CECDRO CSCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140287565 802795775 /nfs/dbraw/zinc/79/57/75/802795775.db2.gz YPVFIATUXQBLFR-UHFFFAOYSA-N 1 0 294.464 2.443 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CC(=O)N(C)C2)c(O)c1 ZINC000723543907 802884854 /nfs/dbraw/zinc/88/48/54/802884854.db2.gz BIMSUAIZIKDSEO-QWHCGFSZSA-N 1 0 276.380 2.220 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@](O)(CF)CC2)c1 ZINC001140617115 803241162 /nfs/dbraw/zinc/24/11/62/803241162.db2.gz FQZCBVUSHITXOP-OAHLLOKOSA-N 1 0 267.344 2.387 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000725002574 803388142 /nfs/dbraw/zinc/38/81/42/803388142.db2.gz WZXRSRGEWRRRAU-YDGIUTOCSA-N 1 0 253.729 2.049 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CC12CC(O)C2 ZINC000725001685 803388760 /nfs/dbraw/zinc/38/87/60/803388760.db2.gz OUQISVGXZDSAIP-CXJYDNQRSA-N 1 0 253.729 2.049 20 10 CECDRO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccccc1O ZINC000036902834 814940395 /nfs/dbraw/zinc/94/03/95/814940395.db2.gz PBRQMYKBZZQFFL-LLVKDONJSA-N 1 0 270.332 2.342 20 10 CECDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(O)c(C)c2O)C1 ZINC001140747432 803513509 /nfs/dbraw/zinc/51/35/09/803513509.db2.gz CSRJMEJXZSFBIY-AWEZNQCLSA-N 1 0 278.396 2.322 20 10 CECDRO Cc1noc([C@H]2CC[N@H+](Cc3ccc(O)c(C)c3O)C2)n1 ZINC001140748172 803513982 /nfs/dbraw/zinc/51/39/82/803513982.db2.gz TWKXPBHUWRLZIF-LBPRGKRZSA-N 1 0 289.335 2.087 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccccc1O ZINC000694515735 803559996 /nfs/dbraw/zinc/55/99/96/803559996.db2.gz QUEGGZPVRODAIP-NWDGAFQWSA-N 1 0 283.393 2.010 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCS2(=O)=O)c(O)c1 ZINC000694591105 803571348 /nfs/dbraw/zinc/57/13/48/803571348.db2.gz RLFWRPMCWZGMAS-OLZOCXBDSA-N 1 0 297.420 2.319 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000694806163 803588895 /nfs/dbraw/zinc/58/88/95/803588895.db2.gz CKNANUCSQRQEMG-PTEHBNRSSA-N 1 0 265.353 2.446 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@@H](CCO)C2)c(OC)c1 ZINC001141028625 803666871 /nfs/dbraw/zinc/66/68/71/803666871.db2.gz XMDIJMRZCLXUIH-LBPRGKRZSA-N 1 0 295.379 2.004 20 10 CECDRO COCC[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715702546 814986053 /nfs/dbraw/zinc/98/60/53/814986053.db2.gz LUTKXMUZGKJXOS-UHFFFAOYSA-N 1 0 292.148 2.372 20 10 CECDRO CC(C)(C)[NH2+]CC(=O)NCc1cc(Cl)ccc1O ZINC001118334141 815004620 /nfs/dbraw/zinc/00/46/20/815004620.db2.gz NMAUNRPFVZRPGD-UHFFFAOYSA-N 1 0 270.760 2.050 20 10 CECDRO C[C@@H]([NH2+]CCC(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000037228780 815113754 /nfs/dbraw/zinc/11/37/54/815113754.db2.gz MEWVJXURVNLGTO-CQSZACIVSA-N 1 0 289.423 2.416 20 10 CECDRO CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037280111 815134615 /nfs/dbraw/zinc/13/46/15/815134615.db2.gz MHRTTXYDYOHOHE-OLZOCXBDSA-N 1 0 277.412 2.318 20 10 CECDRO [NH3+][C@@H]1CCCN(Cc2cc(F)c(Cl)cc2O)CC1 ZINC001205124695 807724618 /nfs/dbraw/zinc/72/46/18/807724618.db2.gz YFLLVTFAOVGBRM-SNVBAGLBSA-N 1 0 272.751 2.498 20 10 CECDRO COCC(COC)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000388404614 807955631 /nfs/dbraw/zinc/95/56/31/807955631.db2.gz RFKCBCJZTADWPR-LLVKDONJSA-N 1 0 253.342 2.013 20 10 CECDRO C[NH+](C)C1(C)CN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001237949904 808268191 /nfs/dbraw/zinc/26/81/91/808268191.db2.gz OMMVRUMTNBXFPJ-UHFFFAOYSA-N 1 0 272.751 2.321 20 10 CECDRO CCc1ccc(CN2C[C@@H]([NH3+])CC(F)(F)C2)c(O)c1 ZINC001206145798 815233681 /nfs/dbraw/zinc/23/36/81/815233681.db2.gz KOBGMVFUMKSGRK-LBPRGKRZSA-N 1 0 270.323 2.123 20 10 CECDRO CC[C@H]([NH2+]CC1(S(=O)(=O)CC)CC1)c1ccccc1O ZINC000693481901 808858438 /nfs/dbraw/zinc/85/84/38/808858438.db2.gz VFYBCRMXBOXJDU-ZDUSSCGKSA-N 1 0 297.420 2.400 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CCCC3(C2)OCCO3)c1O ZINC000715714524 808957716 /nfs/dbraw/zinc/95/77/16/808957716.db2.gz DGPVIDBOJNWTIY-AWEZNQCLSA-N 1 0 277.364 2.476 20 10 CECDRO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC001120706833 815260786 /nfs/dbraw/zinc/26/07/86/815260786.db2.gz DAEPNORDBNFPLH-HNNXBMFYSA-N 1 0 290.407 2.471 20 10 CECDRO COc1cncc(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000704057330 809715514 /nfs/dbraw/zinc/71/55/14/809715514.db2.gz GQIKGLJCPNMXFH-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO COc1cncc(C[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000704216539 809724489 /nfs/dbraw/zinc/72/44/89/809724489.db2.gz FIUSHFVLZFNTDL-UHFFFAOYSA-N 1 0 271.364 2.446 20 10 CECDRO CC(C)CC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000704430763 809733558 /nfs/dbraw/zinc/73/35/58/809733558.db2.gz XGCXJQKJFJSBMO-HNNXBMFYSA-N 1 0 277.412 2.132 20 10 CECDRO Oc1cccc(F)c1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001137837349 809777703 /nfs/dbraw/zinc/77/77/03/809777703.db2.gz CCCUJHJQSDQLKS-LBPRGKRZSA-N 1 0 264.344 2.201 20 10 CECDRO C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccccc1O ZINC000708660847 809933315 /nfs/dbraw/zinc/93/33/15/809933315.db2.gz WVJKGPZXCIKFAX-RISCZKNCSA-N 1 0 274.364 2.196 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@H](C(C)C)C2)c1O ZINC000709028500 809940083 /nfs/dbraw/zinc/94/00/83/809940083.db2.gz OIZGIHOYQONLGS-AWEZNQCLSA-N 1 0 265.353 2.258 20 10 CECDRO CCc1cccc(C[N@H+]2CCN(CC)[C@@H](C)C2)c1O ZINC000709290793 809959459 /nfs/dbraw/zinc/95/94/59/809959459.db2.gz PDPJWUZYTYCWSI-ZDUSSCGKSA-N 1 0 262.397 2.481 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](C)C[C@@H](C)O)c1O ZINC000709492900 809962229 /nfs/dbraw/zinc/96/22/29/809962229.db2.gz VSGHLGCSONIPOC-NWDGAFQWSA-N 1 0 251.370 2.451 20 10 CECDRO COC[C@H](CC[NH2+][C@@H]1CCc2cccc(O)c21)OC ZINC000710600977 810001290 /nfs/dbraw/zinc/00/12/90/810001290.db2.gz GJDQVOMEHJCDQS-QWHCGFSZSA-N 1 0 265.353 2.021 20 10 CECDRO Cc1cc(CN(C)C2(C[NH3+])CCC2)ccc1N(C)C ZINC000923361226 810089358 /nfs/dbraw/zinc/08/93/58/810089358.db2.gz FSJZLHAXEFBNQC-UHFFFAOYSA-N 1 0 261.413 2.374 20 10 CECDRO COCCCN1CCC([NH2+]Cc2cccc(C)c2O)CC1 ZINC001172247612 815358451 /nfs/dbraw/zinc/35/84/51/815358451.db2.gz NLNMSKGLSDAVGJ-UHFFFAOYSA-N 1 0 292.423 2.291 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCN(C(C)=O)[C@H](C)C2)cc1C ZINC001044391922 811480791 /nfs/dbraw/zinc/48/07/91/811480791.db2.gz AIGBKMDZMVZKMS-CJNGLKHVSA-N 1 0 290.407 2.493 20 10 CECDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)CO1 ZINC001169335224 811489747 /nfs/dbraw/zinc/48/97/47/811489747.db2.gz QSHUHPGLZRGEAM-JMSVASOKSA-N 1 0 293.363 2.154 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(C)(C)O)c1 ZINC000393959089 811545250 /nfs/dbraw/zinc/54/52/50/811545250.db2.gz AINGPSBXXHWXSR-ZJUUUORDSA-N 1 0 253.342 2.211 20 10 CECDRO CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)C1 ZINC001169630134 811597347 /nfs/dbraw/zinc/59/73/47/811597347.db2.gz MIEJZWZUMOEENU-KRWDZBQOSA-N 1 0 289.423 2.195 20 10 CECDRO C[C@]1([NH2+]Cc2ccc(Br)cc2O)CCOC1 ZINC000691429598 811658153 /nfs/dbraw/zinc/65/81/53/811658153.db2.gz QQAOCTBGEHIOIH-LBPRGKRZSA-N 1 0 286.169 2.423 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1O)[C@H](C)O ZINC000691486630 811959277 /nfs/dbraw/zinc/95/92/77/811959277.db2.gz AYITYVZVHNWVKC-KWQFWETISA-N 1 0 288.185 2.404 20 10 CECDRO Cc1ccc(C)n1-c1ccc(NC[C@H]2COCC[NH2+]2)cc1 ZINC001170045207 811998650 /nfs/dbraw/zinc/99/86/50/811998650.db2.gz QWZGKQLBVWYLGF-INIZCTEOSA-N 1 0 285.391 2.494 20 10 CECDRO C[C@H]1CC[C@H]([NH2+]CCc2cc(O)c(O)cc2O)C1 ZINC001170106377 812155778 /nfs/dbraw/zinc/15/57/78/812155778.db2.gz YRBAGQPBZPRTPS-ONGXEEELSA-N 1 0 251.326 2.124 20 10 CECDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000385222379 813130454 /nfs/dbraw/zinc/13/04/54/813130454.db2.gz RUIUDOSRHWSCGL-CQSZACIVSA-N 1 0 292.423 2.162 20 10 CECDRO CC[C@]1([NH2+]Cc2cccc(OC)c2O)CCOC1 ZINC000386009510 813150492 /nfs/dbraw/zinc/15/04/92/813150492.db2.gz UIOKKZBCYGDFSA-AWEZNQCLSA-N 1 0 251.326 2.060 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCCOCC2)c1O ZINC000386534698 813175477 /nfs/dbraw/zinc/17/54/77/813175477.db2.gz PVAXXYDSSGSWHV-GFCCVEGCSA-N 1 0 251.326 2.060 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](C)CN(C)C(C)C)c1 ZINC000388298995 813235275 /nfs/dbraw/zinc/23/52/75/813235275.db2.gz ZZIBNNOENVBKHF-LBPRGKRZSA-N 1 0 266.385 2.219 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c1O ZINC000388841977 813243800 /nfs/dbraw/zinc/24/38/00/813243800.db2.gz UPUKCDMGUBIAGI-DGCLKSJQSA-N 1 0 265.353 2.306 20 10 CECDRO CCC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)COC1 ZINC000393971423 813334202 /nfs/dbraw/zinc/33/42/02/813334202.db2.gz NCGQDIAFDOCYGZ-NSHDSACASA-N 1 0 265.353 2.478 20 10 CECDRO O=C1CC[N@@H+](Cc2c(O)cc(O)cc2O)[C@H]2CCCC[C@H]12 ZINC001144500069 814089347 /nfs/dbraw/zinc/08/93/47/814089347.db2.gz OHLGQFLFEUXYAB-AAEUAGOBSA-N 1 0 291.347 2.137 20 10 CECDRO O=C1CC[N@@H+](Cc2c(O)cc(O)cc2O)[C@@H]2CCCC[C@@H]12 ZINC001144500070 814090046 /nfs/dbraw/zinc/09/00/46/814090046.db2.gz OHLGQFLFEUXYAB-DGCLKSJQSA-N 1 0 291.347 2.137 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCCC[C@H](F)C2)c(O)c1 ZINC001144500356 814091609 /nfs/dbraw/zinc/09/16/09/814091609.db2.gz SLFRFMOWKKOUAV-VIFPVBQESA-N 1 0 255.289 2.127 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](c3ccncc3)C2)c(O)c1 ZINC001144509464 814097556 /nfs/dbraw/zinc/09/75/56/814097556.db2.gz XBSOBDRCIGSFBV-LBPRGKRZSA-N 1 0 286.331 2.188 20 10 CECDRO C[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)[C@@H](C)C1 ZINC001144514448 814098364 /nfs/dbraw/zinc/09/83/64/814098364.db2.gz FBTPPAFABGTNML-UWVGGRQHSA-N 1 0 251.326 2.424 20 10 CECDRO Cn1ccc(C[NH2+]Cc2ccc(Br)cc2O)n1 ZINC000691477495 814594443 /nfs/dbraw/zinc/59/44/43/814594443.db2.gz SYMCCHKKGFULJG-UHFFFAOYSA-N 1 0 296.168 2.178 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCOC2CC2)c1 ZINC000714982090 814920361 /nfs/dbraw/zinc/92/03/61/814920361.db2.gz IHJWNWWUCXZVJA-JTQLQIEISA-N 1 0 251.326 2.230 20 10 CECDRO Cc1cc(C[N@@H+]2C[C@H](F)C[C@@H](CO)C2)ccc1N(C)C ZINC001139669565 815618714 /nfs/dbraw/zinc/61/87/14/815618714.db2.gz AZJFOSJCMVXXBS-HUUCEWRRSA-N 1 0 280.387 2.213 20 10 CECDRO C[N@@H+]1CCC[C@H]2CN(Cc3c(O)cccc3F)C[C@@H]21 ZINC001137840242 815694604 /nfs/dbraw/zinc/69/46/04/815694604.db2.gz UKTRTTVWNATNAY-FZMZJTMJSA-N 1 0 264.344 2.057 20 10 CECDRO Cc1c(C[N@H+]2CCc3nncn3CC2)c2ccccc2n1C ZINC001138254198 815756960 /nfs/dbraw/zinc/75/69/60/815756960.db2.gz SKXUOOUYVAGEQW-UHFFFAOYSA-N 1 0 295.390 2.137 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CCC[C@@](C)(O)C3)ccc21 ZINC001138358196 815775375 /nfs/dbraw/zinc/77/53/75/815775375.db2.gz PTUGIMICMDZUHH-QGZVFWFLSA-N 1 0 274.408 2.416 20 10 CECDRO COc1cc(CN2CC(C)(C)C2)cc(C[NH+](C)C)c1O ZINC001139252963 815996868 /nfs/dbraw/zinc/99/68/68/815996868.db2.gz HCAUYZJASUULPJ-UHFFFAOYSA-N 1 0 278.396 2.304 20 10 CECDRO COC(=O)c1ccc(Nc2cc[nH+]cc2C)c(O)c1 ZINC001174539681 816026707 /nfs/dbraw/zinc/02/67/07/816026707.db2.gz PTAKWOKCLWAQIM-UHFFFAOYSA-N 1 0 258.277 2.048 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCc3cccc(O)c3C2)cn1 ZINC001139457903 816030142 /nfs/dbraw/zinc/03/01/42/816030142.db2.gz BIHFKUMTGPBUDL-UHFFFAOYSA-N 1 0 283.375 2.412 20 10 CECDRO CC(C)(C)c1ccc(CN2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206736449 816049489 /nfs/dbraw/zinc/04/94/89/816049489.db2.gz FZBFTFVNUGJVMS-UHFFFAOYSA-N 1 0 262.397 2.470 20 10 CECDRO COC(=O)c1ccc(O)c(Nc2cc[nH+]c(C)c2)c1 ZINC001174655348 816067630 /nfs/dbraw/zinc/06/76/30/816067630.db2.gz BKKSKYZBRDTSNE-UHFFFAOYSA-N 1 0 258.277 2.048 20 10 CECDRO Cc1cc(C[NH+]2CC3(CC(O)C3)C2)ccc1N(C)C ZINC001139669548 816076328 /nfs/dbraw/zinc/07/63/28/816076328.db2.gz ADIIPXWUVPVTPJ-UHFFFAOYSA-N 1 0 260.381 2.018 20 10 CECDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686593 816083790 /nfs/dbraw/zinc/08/37/90/816083790.db2.gz BWQZUZVNGITOBN-LLVKDONJSA-N 1 0 282.334 2.339 20 10 CECDRO CCOC(=O)C1(F)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140055844 816179191 /nfs/dbraw/zinc/17/91/91/816179191.db2.gz XTQIYCOCDDCRQV-UHFFFAOYSA-N 1 0 299.317 2.399 20 10 CECDRO CC(=O)N[C@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140179028 816204415 /nfs/dbraw/zinc/20/44/15/816204415.db2.gz FJNDCFGJZGZPEH-AWEZNQCLSA-N 1 0 276.380 2.110 20 10 CECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140182371 816205222 /nfs/dbraw/zinc/20/52/22/816205222.db2.gz RBEIRXDXCWUVEO-CYBMUJFWSA-N 1 0 277.364 2.394 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](Oc3ncccn3)C2)c1O ZINC001140185500 816206761 /nfs/dbraw/zinc/20/67/61/816206761.db2.gz XLNFSIAZFBLYKW-CQSZACIVSA-N 1 0 299.374 2.452 20 10 CECDRO Oc1cccc2c1C[N@H+](Cc1ccncc1O)CC2 ZINC001140280366 816224634 /nfs/dbraw/zinc/22/46/34/816224634.db2.gz IEZGCASWWMGTOF-UHFFFAOYSA-N 1 0 256.305 2.051 20 10 CECDRO C[N@H+](CCC1OCCO1)Cc1c(O)cccc1Cl ZINC001140341446 816237460 /nfs/dbraw/zinc/23/74/60/816237460.db2.gz OIEFFXHJDIXVTQ-UHFFFAOYSA-N 1 0 271.744 2.240 20 10 CECDRO O=C1NCC[C@]12CCC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140338442 816237470 /nfs/dbraw/zinc/23/74/70/816237470.db2.gz JELODPZMXWCTOW-HNNXBMFYSA-N 1 0 294.782 2.148 20 10 CECDRO C[C@@]1(CO)CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC001140337970 816238448 /nfs/dbraw/zinc/23/84/48/816238448.db2.gz PDOSLUYJXXHQFL-CYBMUJFWSA-N 1 0 255.745 2.250 20 10 CECDRO COC(=O)C1CC[NH+](Cc2ccc(Cl)cc2O)CC1 ZINC001140463148 816260400 /nfs/dbraw/zinc/26/04/00/816260400.db2.gz VBDBGCKJRYSPIE-UHFFFAOYSA-N 1 0 283.755 2.431 20 10 CECDRO Oc1cc(Cl)ccc1C[N@H+]1CCC[C@H](O)CC1 ZINC001140461665 816260811 /nfs/dbraw/zinc/26/08/11/816260811.db2.gz PTARGIFDYCKGDV-LBPRGKRZSA-N 1 0 255.745 2.392 20 10 CECDRO C[N@H+](CCC1OCCO1)Cc1ccc(Cl)cc1O ZINC001140465942 816263166 /nfs/dbraw/zinc/26/31/66/816263166.db2.gz UQEQKWXMDOCKCZ-UHFFFAOYSA-N 1 0 271.744 2.240 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)c1 ZINC001140623705 816307159 /nfs/dbraw/zinc/30/71/59/816307159.db2.gz QRJMNBCNKFCQAD-DZGCQCFKSA-N 1 0 260.381 2.227 20 10 CECDRO Cc1c(O)ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1O ZINC001140744325 816339679 /nfs/dbraw/zinc/33/96/79/816339679.db2.gz UDICVSULLBBNQV-TXEJJXNPSA-N 1 0 261.321 2.102 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)c1O ZINC001140748199 816342545 /nfs/dbraw/zinc/34/25/45/816342545.db2.gz UMCURVYUWFVIRQ-UHFFFAOYSA-N 1 0 286.331 2.065 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)c1O ZINC001140748190 816343244 /nfs/dbraw/zinc/34/32/44/816343244.db2.gz UJTQRMHJECTTOJ-AWEZNQCLSA-N 1 0 299.317 2.406 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c(O)c1 ZINC001140850819 816382350 /nfs/dbraw/zinc/38/23/50/816382350.db2.gz VNPIRZRPYDVZSE-DYVFJYSZSA-N 1 0 292.423 2.441 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C2(C)COC2)c(O)c1 ZINC001140855998 816382690 /nfs/dbraw/zinc/38/26/90/816382690.db2.gz OKXZZTMCXSOGMO-UHFFFAOYSA-N 1 0 278.396 2.459 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(O)C2)c(Cl)c1 ZINC001140922299 816410989 /nfs/dbraw/zinc/41/09/89/816410989.db2.gz NILLNYUDFUUETJ-AWEZNQCLSA-N 1 0 268.788 2.363 20 10 CECDRO COc1ncnc2c1CC[N@H+](Cc1ccc(C)cc1O)CC2 ZINC001140950142 816422282 /nfs/dbraw/zinc/42/22/82/816422282.db2.gz OKSBCVGGOODXQN-UHFFFAOYSA-N 1 0 299.374 2.100 20 10 CECDRO COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(C)cc2O)C1 ZINC001140950931 816424393 /nfs/dbraw/zinc/42/43/93/816424393.db2.gz PMDNJVFKVGYXJV-TZMCWYRMSA-N 1 0 277.364 2.332 20 10 CECDRO COc1cc(O)c(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(OC)c1 ZINC001141026649 816448862 /nfs/dbraw/zinc/44/88/62/816448862.db2.gz YIYIROBSDPLRIN-PHIMTYICSA-N 1 0 291.347 2.105 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCO3)C2)c(OC)c1 ZINC001141028962 816450536 /nfs/dbraw/zinc/45/05/36/816450536.db2.gz FNTXNVMYXFMCKA-INIZCTEOSA-N 1 0 293.363 2.164 20 10 CECDRO COc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c(OC)c1 ZINC001141032374 816451993 /nfs/dbraw/zinc/45/19/93/816451993.db2.gz ZVOVOZYTMLOUHA-SMDDNHRTSA-N 1 0 295.379 2.002 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c(OC)c1 ZINC001141032371 816453199 /nfs/dbraw/zinc/45/31/99/816453199.db2.gz ZVOVOZYTMLOUHA-BXUZGUMPSA-N 1 0 295.379 2.002 20 10 CECDRO CCC[N@H+](CCOC)Cc1ccc2c(c1)OCCN2C ZINC001141139482 816484345 /nfs/dbraw/zinc/48/43/45/816484345.db2.gz URPFAAAIEMHCTH-UHFFFAOYSA-N 1 0 278.396 2.374 20 10 CECDRO CN1CCOc2cc(C[N@@H+]3CCCC[C@@](C)(O)C3)ccc21 ZINC001141141455 816485251 /nfs/dbraw/zinc/48/52/51/816485251.db2.gz YYLKBUVWBSZMRE-QGZVFWFLSA-N 1 0 290.407 2.252 20 10 CECDRO Oc1ccc(O)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC001141159250 816490494 /nfs/dbraw/zinc/49/04/94/816490494.db2.gz DQRAWISEKBPKRE-CQSZACIVSA-N 1 0 276.380 2.158 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCO[C@H]2CC)c(O)c1 ZINC000839192578 816567557 /nfs/dbraw/zinc/56/75/57/816567557.db2.gz RVTQPIDTIPGNTD-HIFRSBDPSA-N 1 0 265.353 2.448 20 10 CECDRO C[C@H]1CCN(Cc2cc(F)c(F)cc2O)CCC1=O ZINC001142508881 816677194 /nfs/dbraw/zinc/67/71/94/816677194.db2.gz OTUPBLLWNWBAAB-VIFPVBQESA-N 1 0 269.291 2.471 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCN(C(=O)C(C)C)CC2)cc1C ZINC000042911840 343457352 /nfs/dbraw/zinc/45/73/52/343457352.db2.gz GZYQVPURLFQTCE-UHFFFAOYSA-N 1 0 290.407 2.309 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000134152378 366290954 /nfs/dbraw/zinc/29/09/54/366290954.db2.gz RATGMYAFBAXZRZ-NSHDSACASA-N 1 0 251.326 2.012 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CSC ZINC000187911968 283297145 /nfs/dbraw/zinc/29/71/45/283297145.db2.gz UPISTZVZKFRBTI-CYBMUJFWSA-N 1 0 269.410 2.328 20 10 CECDRO COc1cccc(C[N@H+]2CCC[C@@H](OC)C2)c1O ZINC000091772676 364073838 /nfs/dbraw/zinc/07/38/38/364073838.db2.gz UBEHEUCQDALLHD-GFCCVEGCSA-N 1 0 251.326 2.012 20 10 CECDRO CN(C)c1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)cc1 ZINC000092097792 364075087 /nfs/dbraw/zinc/07/50/87/364075087.db2.gz AEESJHIDQUAVMW-UHFFFAOYSA-N 1 0 299.422 2.256 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000159951008 366960957 /nfs/dbraw/zinc/96/09/57/366960957.db2.gz AEBVMJATUNGZEW-GFCCVEGCSA-N 1 0 265.353 2.448 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](C)CO)c1O ZINC000169089544 367365080 /nfs/dbraw/zinc/36/50/80/367365080.db2.gz VNQBZCSHNALDRI-RKDXNWHRSA-N 1 0 273.760 2.161 20 10 CECDRO CC[C@H](C)C[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000171948771 367645999 /nfs/dbraw/zinc/64/59/99/367645999.db2.gz IWUZUWUVAKVEAX-AWEZNQCLSA-N 1 0 291.439 2.347 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245856307 370881117 /nfs/dbraw/zinc/88/11/17/370881117.db2.gz DPQUQJHXDYDOLS-ZDUSSCGKSA-N 1 0 266.772 2.326 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](OCCO)C2)c1O ZINC000180175908 368369213 /nfs/dbraw/zinc/36/92/13/368369213.db2.gz DTVBOGQKPZLLEV-AWEZNQCLSA-N 1 0 299.798 2.327 20 10 CECDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180170883 368370409 /nfs/dbraw/zinc/37/04/09/368370409.db2.gz 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C[C@H](CCNC(=O)c1cccc(O)c1O)[NH+]1CCCCC1 ZINC000193161597 369900530 /nfs/dbraw/zinc/90/05/30/369900530.db2.gz TYPWODWUFYWFIS-GFCCVEGCSA-N 1 0 292.379 2.092 20 10 CECDRO C[C@@H]1CN(C)c2ccccc2N(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637937150 370183405 /nfs/dbraw/zinc/18/34/05/370183405.db2.gz RPGOWRNYUDYLCV-TZMCWYRMSA-N 1 0 285.391 2.153 20 10 CECDRO C[C@H]1CN(C)c2ccccc2N(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000637937147 370183534 /nfs/dbraw/zinc/18/35/34/370183534.db2.gz RPGOWRNYUDYLCV-GXTWGEPZSA-N 1 0 285.391 2.153 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2(C)CCOCC2)c1 ZINC000224897492 370282244 /nfs/dbraw/zinc/28/22/44/370282244.db2.gz PZCHQUUSDKOEDF-UHFFFAOYSA-N 1 0 265.353 2.307 20 10 CECDRO [NH3+][C@@H]1CC=C(C(=O)N2CCN(CC3CC3)c3ccccc32)C1 ZINC000638129200 370323554 /nfs/dbraw/zinc/32/35/54/370323554.db2.gz WHMGZBFCFQCAEH-OAHLLOKOSA-N 1 0 297.402 2.297 20 10 CECDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000226251065 370332029 /nfs/dbraw/zinc/33/20/29/370332029.db2.gz 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COc1ccc(O)c(C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000271798521 373201776 /nfs/dbraw/zinc/20/17/76/373201776.db2.gz IMKREGTXEMXGPB-AULYBMBSSA-N 1 0 265.353 2.042 20 10 CECDRO Cc1cccc(C[NH2+]C[C@@](C)(O)c2ccco2)c1O ZINC000271846877 373204494 /nfs/dbraw/zinc/20/44/94/373204494.db2.gz RZAVVLPKPVTNCM-OAHLLOKOSA-N 1 0 261.321 2.291 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000368809968 373264494 /nfs/dbraw/zinc/26/44/94/373264494.db2.gz LJOHCGPUAWKVGK-GDBMZVCRSA-N 1 0 277.364 2.335 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](O)C(F)(F)F ZINC000272520640 373529552 /nfs/dbraw/zinc/52/95/52/373529552.db2.gz YFPDBPGHVAHJJS-MWLCHTKSSA-N 1 0 281.249 2.323 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)CCC[C@@H]2CO)c1O ZINC000272697741 373618851 /nfs/dbraw/zinc/61/88/51/373618851.db2.gz VPHMXEKKOIMKPZ-QMTHXVAHSA-N 1 0 295.354 2.469 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000273175724 373749109 /nfs/dbraw/zinc/74/91/09/373749109.db2.gz 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375847952 /nfs/dbraw/zinc/84/79/52/375847952.db2.gz JLIPEEBQLGDOJL-GFCCVEGCSA-N 1 0 278.331 2.241 20 10 CECDRO COc1cccc(C[N@@H+]2CCCOC(C)(C)C2)c1O ZINC000311609118 376680016 /nfs/dbraw/zinc/68/00/16/376680016.db2.gz FFWUYQBHGNQRQO-UHFFFAOYSA-N 1 0 265.353 2.402 20 10 CECDRO Cc1cc(C[N@@H+](CC(N)=O)CC(C)C)ccc1N(C)C ZINC000293671246 377689855 /nfs/dbraw/zinc/68/98/55/377689855.db2.gz ZLTFMGBAFHHOAO-UHFFFAOYSA-N 1 0 277.412 2.004 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)c1 ZINC000294955520 378031277 /nfs/dbraw/zinc/03/12/77/378031277.db2.gz DMILLKQZVIORLE-WCQYABFASA-N 1 0 289.322 2.285 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c(O)c1 ZINC000294841728 378024076 /nfs/dbraw/zinc/02/40/76/378024076.db2.gz RXRYWQUENNHJCK-DOMZBBRYSA-N 1 0 289.379 2.127 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000295874220 378339227 /nfs/dbraw/zinc/33/92/27/378339227.db2.gz GMBYVQRSUZESHF-LEWSCRJBSA-N 1 0 261.365 2.445 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCNC2=O)cc1 ZINC000296325598 378491081 /nfs/dbraw/zinc/49/10/81/378491081.db2.gz GZSJMNQBHQBLAG-WFASDCNBSA-N 1 0 275.396 2.072 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)c(=O)n1C ZINC000296518806 378561196 /nfs/dbraw/zinc/56/11/96/378561196.db2.gz QUWMQGQIPQNGEP-CQSZACIVSA-N 1 0 284.359 2.176 20 10 CECDRO CCC[N@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000298176171 378695075 /nfs/dbraw/zinc/69/50/75/378695075.db2.gz RENSMHUXNKOIGA-UHFFFAOYSA-N 1 0 289.423 2.243 20 10 CECDRO CCOc1ccc(O)c(CN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000092938767 394662951 /nfs/dbraw/zinc/66/29/51/394662951.db2.gz UMLDEABKXWGIAP-AWEZNQCLSA-N 1 0 278.396 2.317 20 10 CECDRO CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2O)CC1 ZINC000109772519 394735344 /nfs/dbraw/zinc/73/53/44/394735344.db2.gz XQEHBXJXBFSDAD-UHFFFAOYSA-N 1 0 276.380 2.083 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@H](C)CCO)CC2)cc1 ZINC000121313738 394796432 /nfs/dbraw/zinc/79/64/32/394796432.db2.gz HDOOJCBECIGXLP-CYBMUJFWSA-N 1 0 278.396 2.025 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C)Cc1cccc(OCC)c1O ZINC000133667605 394954457 /nfs/dbraw/zinc/95/44/57/394954457.db2.gz DMUZKYQOXGISRA-UHFFFAOYSA-N 1 0 294.395 2.091 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C)c(O)c1 ZINC000131940020 394921757 /nfs/dbraw/zinc/92/17/57/394921757.db2.gz IHEXXLDHKGTZNS-BXUZGUMPSA-N 1 0 265.353 2.448 20 10 CECDRO CC[C@H](C)[NH+]1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000133831477 394955412 /nfs/dbraw/zinc/95/54/12/394955412.db2.gz XCUWQWUKWFFGGX-LBPRGKRZSA-N 1 0 292.379 2.037 20 10 CECDRO CC[C@H](C)[NH+]1CCN(Cc2cccc(OC)c2O)CC1 ZINC000133826181 394955519 /nfs/dbraw/zinc/95/55/19/394955519.db2.gz APVMPGXOSINVBY-ZDUSSCGKSA-N 1 0 278.396 2.317 20 10 CECDRO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000135632860 394967251 /nfs/dbraw/zinc/96/72/51/394967251.db2.gz QLUCULUZLZVOOE-HUUCEWRRSA-N 1 0 261.365 2.405 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1C ZINC000151120538 394975463 /nfs/dbraw/zinc/97/54/63/394975463.db2.gz 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/nfs/dbraw/zinc/23/25/65/395232565.db2.gz BZRDTJYPPAUFGS-UHFFFAOYSA-N 1 0 277.364 2.348 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H](C)Cn2ccnc2C)c1 ZINC000182462029 395242081 /nfs/dbraw/zinc/24/20/81/395242081.db2.gz FETFQIMQDZGUJY-LBPRGKRZSA-N 1 0 289.379 2.332 20 10 CECDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000183060929 395251073 /nfs/dbraw/zinc/25/10/73/395251073.db2.gz UMUYRTXGBZPSBD-UONOGXRCSA-N 1 0 291.439 2.393 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1C ZINC000529676586 395430163 /nfs/dbraw/zinc/43/01/63/395430163.db2.gz KPJUSSOMVMITCG-SIFCLUCFSA-N 1 0 293.432 2.494 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC(=O)NC(C)C)cc1 ZINC000035136005 172003121 /nfs/dbraw/zinc/00/31/21/172003121.db2.gz JQVBSLYLDYMDOF-UHFFFAOYSA-N 1 0 277.412 2.147 20 10 CECDRO Oc1cc2c(cc1C[NH2+]CCc1ccco1)OCO2 ZINC000042879739 174901373 /nfs/dbraw/zinc/90/13/73/174901373.db2.gz FNIJISLHXSULKJ-UHFFFAOYSA-N 1 0 261.277 2.046 20 10 CECDRO CC[C@@H]([NH2+]CC[C@H](O)COC)c1ccc(N(C)C)cc1 ZINC000090951325 260469734 /nfs/dbraw/zinc/46/97/34/260469734.db2.gz AYRHNWSCECDKID-JKSUJKDBSA-N 1 0 280.412 2.191 20 10 CECDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000155406710 261101423 /nfs/dbraw/zinc/10/14/23/261101423.db2.gz XPLLTZUYEQBMEK-GJZGRUSLSA-N 1 0 292.423 2.456 20 10 CECDRO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000155602232 261104597 /nfs/dbraw/zinc/10/45/97/261104597.db2.gz UGTJWMXOTSDPRL-MRXNPFEDSA-N 1 0 289.423 2.101 20 10 CECDRO CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1ccccc1O ZINC000156563211 261126549 /nfs/dbraw/zinc/12/65/49/261126549.db2.gz WKDVJAZHISCEDK-YPMHNXCESA-N 1 0 285.409 2.256 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2O)C1 ZINC000185788568 262070795 /nfs/dbraw/zinc/07/07/95/262070795.db2.gz UHGFOBPWLBJWAZ-OLZOCXBDSA-N 1 0 276.380 2.362 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)c1 ZINC000186047770 262077047 /nfs/dbraw/zinc/07/70/47/262077047.db2.gz UQZWSFFMYJVVNK-TZMCWYRMSA-N 1 0 276.380 2.361 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)c1 ZINC000186047790 262077236 /nfs/dbraw/zinc/07/72/36/262077236.db2.gz UQZWSFFMYJVVNK-GXTWGEPZSA-N 1 0 276.380 2.361 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000186088385 262079367 /nfs/dbraw/zinc/07/93/67/262079367.db2.gz DJRSHICQWRIMAP-RYUDHWBXSA-N 1 0 274.364 2.115 20 10 CECDRO COC[C@H](O)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186203096 262084346 /nfs/dbraw/zinc/08/43/46/262084346.db2.gz YKBYBKNKYOZDON-SWLSCSKDSA-N 1 0 293.407 2.319 20 10 CECDRO COc1cccc(C[NH2+]CC2(O)Cc3ccccc3C2)c1O ZINC000371700881 262104369 /nfs/dbraw/zinc/10/43/69/262104369.db2.gz LONHDXUSDPONCA-UHFFFAOYSA-N 1 0 299.370 2.020 20 10 CECDRO Cc1c(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cnn1C ZINC000186188095 262312108 /nfs/dbraw/zinc/31/21/08/262312108.db2.gz DGIBCHPQEQZONR-SECBINFHSA-N 1 0 263.316 2.424 20 10 CECDRO COCC(C)(C)C[NH2+]Cc1cc(OC)ccc1O ZINC000277008307 263039423 /nfs/dbraw/zinc/03/94/23/263039423.db2.gz XQAOTHBBFSWUNE-UHFFFAOYSA-N 1 0 253.342 2.163 20 10 CECDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CC2(CCOCC2)O1 ZINC000280402253 263061278 /nfs/dbraw/zinc/06/12/78/263061278.db2.gz HEUMYJSPFSKCBD-CYBMUJFWSA-N 1 0 277.364 2.162 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368045723 267141871 /nfs/dbraw/zinc/14/18/71/267141871.db2.gz WEZUEGGVIYPXEM-GMZLATJGSA-N 1 0 288.391 2.429 20 10 CECDRO CN(Cc1ccccc1O)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000368745264 267201703 /nfs/dbraw/zinc/20/17/03/267201703.db2.gz BWATZRWDKBHPMY-ZDUSSCGKSA-N 1 0 276.380 2.130 20 10 CECDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000375857753 267912854 /nfs/dbraw/zinc/91/28/54/267912854.db2.gz DLMCWRSPLQSNSM-HOTGVXAUSA-N 1 0 288.391 2.368 20 10 CECDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)[C@H](C)CO ZINC000292730315 276140902 /nfs/dbraw/zinc/14/09/02/276140902.db2.gz GEMSIJMHGUNTSI-LLVKDONJSA-N 1 0 254.349 2.094 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCC2(O)CCC2)cc1F ZINC000283883594 276802438 /nfs/dbraw/zinc/80/24/38/276802438.db2.gz HENPYISNMNBXHC-UHFFFAOYSA-N 1 0 266.360 2.286 20 10 CECDRO COC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCCO1 ZINC000278928495 277569830 /nfs/dbraw/zinc/56/98/30/277569830.db2.gz USMWMBXFYMTMCR-GDBMZVCRSA-N 1 0 296.386 2.175 20 10 CECDRO CCN1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296095305 279314998 /nfs/dbraw/zinc/31/49/98/279314998.db2.gz UBHLPRDTZSMVCI-KGLIPLIRSA-N 1 0 260.381 2.453 20 10 CECDRO COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000273586998 292807747 /nfs/dbraw/zinc/80/77/47/292807747.db2.gz OAXGDCVGZICDDC-CHWSQXEVSA-N 1 0 267.369 2.057 20 10 CECDRO COc1cccc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1O ZINC000527803577 313204708 /nfs/dbraw/zinc/20/47/08/313204708.db2.gz HAYLNOGZHKUYEA-MIJXAVMKSA-N 1 0 265.353 2.302 20 10 CECDRO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000269056277 328189263 /nfs/dbraw/zinc/18/92/63/328189263.db2.gz WUQBDPZFDWTDLT-STQMWFEESA-N 1 0 273.384 2.083 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](C)CCO)c1 ZINC000295106741 327605954 /nfs/dbraw/zinc/60/59/54/327605954.db2.gz LBHJMICZHBFLJH-NEPJUHHUSA-N 1 0 267.369 2.460 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCN2C)c1ccc(=O)[nH]n1 ZINC000367620224 328932732 /nfs/dbraw/zinc/93/27/32/328932732.db2.gz QFRKREUKJMCKSQ-LLVKDONJSA-N 1 0 284.363 2.025 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccccc1O ZINC000377409040 329014602 /nfs/dbraw/zinc/01/46/02/329014602.db2.gz HIJMHBPETGSBGM-WDEREUQCSA-N 1 0 257.337 2.323 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3CCN(C)[C@H]3C2)c1 ZINC000378474283 329052060 /nfs/dbraw/zinc/05/20/60/329052060.db2.gz MQWNLHDTQMKYOF-ZFWWWQNUSA-N 1 0 260.381 2.227 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCCN(C3CC3)CC2)c1O ZINC000179730105 329208256 /nfs/dbraw/zinc/20/82/56/329208256.db2.gz YANOSLDNAMWTDW-UHFFFAOYSA-N 1 0 290.407 2.461 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000152850269 330637075 /nfs/dbraw/zinc/63/70/75/330637075.db2.gz YDTOCJLMXUXRIZ-DYLAAIIWSA-N 1 0 253.729 2.455 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1O ZINC000219906429 333159006 /nfs/dbraw/zinc/15/90/06/333159006.db2.gz BZXDEKKCUYKNKM-DGCLKSJQSA-N 1 0 265.353 2.448 20 10 CECDRO CN(CC[NH2+]Cc1cc(F)ccc1O)C1CCCC1 ZINC000226606637 333266122 /nfs/dbraw/zinc/26/61/22/333266122.db2.gz AVBZQYLGMMEGRT-UHFFFAOYSA-N 1 0 266.360 2.495 20 10 CECDRO CCOc1cccc(C[NH2+]CCC[C@@H](C)CO)c1O ZINC000230159852 333315391 /nfs/dbraw/zinc/31/53/91/333315391.db2.gz XSICSHWPOXDXNU-GFCCVEGCSA-N 1 0 267.369 2.289 20 10 CECDRO CCOc1ccc(O)c(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530177132 333526924 /nfs/dbraw/zinc/52/69/24/333526924.db2.gz HAXCHDYDTKRNDY-OAHLLOKOSA-N 1 0 276.380 2.165 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000252738798 334389060 /nfs/dbraw/zinc/38/90/60/334389060.db2.gz GAZMQSQMXSPUKB-CABCVRRESA-N 1 0 260.381 2.417 20 10 CECDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000131276490 519823815 /nfs/dbraw/zinc/82/38/15/519823815.db2.gz WWQDPRRVXYHHOF-IUODEOHRSA-N 1 0 250.386 2.420 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCOC[C@H]2C)c1O ZINC000277373046 518287374 /nfs/dbraw/zinc/28/73/74/518287374.db2.gz HIJNXESVGXGRSI-OTYXRUKQSA-N 1 0 281.327 2.249 20 10 CECDRO CC(C)[NH+](CCNCc1cc2c(cc1O)OCO2)C(C)C ZINC000042879091 519647936 /nfs/dbraw/zinc/64/79/36/519647936.db2.gz JEYJZZXWMSVBBJ-UHFFFAOYSA-N 1 0 294.395 2.329 20 10 CECDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000290158714 519828279 /nfs/dbraw/zinc/82/82/79/519828279.db2.gz LTMAFXWMRVIMGF-JKSUJKDBSA-N 1 0 289.423 2.003 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@@H](O)C2CC2)ccc1OC ZINC000265220019 520186046 /nfs/dbraw/zinc/18/60/46/520186046.db2.gz GNNATAUNOOKDDJ-OAHLLOKOSA-N 1 0 279.380 2.092 20 10 CECDRO CCC[C@@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000236969192 520720166 /nfs/dbraw/zinc/72/01/66/520720166.db2.gz OADRFKMBAIIMMO-CQSZACIVSA-N 1 0 276.380 2.015 20 10 CECDRO CCOc1cccc(C[NH+]2CCN(C3CC3)CC2)c1O ZINC000127909132 521339972 /nfs/dbraw/zinc/33/99/72/521339972.db2.gz XZQOHKCKBUGTEO-UHFFFAOYSA-N 1 0 276.380 2.071 20 10 CECDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000264733216 521600249 /nfs/dbraw/zinc/60/02/49/521600249.db2.gz HASJNBWXGDOYKQ-AWEZNQCLSA-N 1 0 291.395 2.066 20 10 CECDRO CC[C@H]([NH2+]CC(=O)NC(C)C)c1ccc(C)cc1O ZINC000279976002 522565921 /nfs/dbraw/zinc/56/59/21/522565921.db2.gz DIITUHXCTHOMNP-ZDUSSCGKSA-N 1 0 264.369 2.266 20 10 CECDRO COc1cc(O)c(C[N@H+](C)CCCCCO)cc1OC ZINC000279325111 522770807 /nfs/dbraw/zinc/77/08/07/522770807.db2.gz CKDXVYINCRCYRX-UHFFFAOYSA-N 1 0 283.368 2.004 20 10 CECDRO CCc1noc(C)c1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000292930681 522845563 /nfs/dbraw/zinc/84/55/63/522845563.db2.gz JAICFMQNYOVWIY-UHFFFAOYSA-N 1 0 290.319 2.270 20 10 CECDRO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H](COC)C1 ZINC000366696208 522953158 /nfs/dbraw/zinc/95/31/58/522953158.db2.gz YJXGHVMRJBNQOZ-GXTWGEPZSA-N 1 0 265.353 2.191 20 10 CECDRO C[N@@H+]1CCCN(Cc2c(O)cccc2Cl)CC1 ZINC000211487188 523807904 /nfs/dbraw/zinc/80/79/04/523807904.db2.gz UJQXOAJVACXOCJ-UHFFFAOYSA-N 1 0 254.761 2.183 20 10 CECDRO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc(C)c1O ZINC000274923153 523980305 /nfs/dbraw/zinc/98/03/05/523980305.db2.gz MSMYVFJGEUYBRV-SMDDNHRTSA-N 1 0 277.364 2.474 20 10 CECDRO COc1ccc(C[NH2+]CCc2nccnc2C)cc1C ZINC000292962499 524070904 /nfs/dbraw/zinc/07/09/04/524070904.db2.gz JOAGRXLKXPASKM-UHFFFAOYSA-N 1 0 271.364 2.434 20 10 CECDRO COc1ccc(C[NH2+]Cc2cccc(C)c2O)c(OC)n1 ZINC000290980294 524072866 /nfs/dbraw/zinc/07/28/66/524072866.db2.gz TZKLFIZHENNMAF-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO Cc1cccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280137709 524406884 /nfs/dbraw/zinc/40/68/84/524406884.db2.gz CTLVFXDTCDKNQV-CJNGLKHVSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@H](O)CC2)ccc1N(C)C ZINC000293021094 524688634 /nfs/dbraw/zinc/68/86/34/524688634.db2.gz FMMUASRSLWVBKF-HNNXBMFYSA-N 1 0 262.397 2.408 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)[C@H](CO)CC(C)C)c1 ZINC000290665335 524732989 /nfs/dbraw/zinc/73/29/89/524732989.db2.gz ZZQLGUSILLEQGX-ZDUSSCGKSA-N 1 0 267.369 2.240 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000037087195 524756095 /nfs/dbraw/zinc/75/60/95/524756095.db2.gz QUPZJIGISJUSDX-CQSZACIVSA-N 1 0 287.363 2.302 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000134244026 524774476 /nfs/dbraw/zinc/77/44/76/524774476.db2.gz BPCQPYGYXPKMLB-OUJBWJOFSA-N 1 0 251.326 2.229 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCOC3(CCOCC3)C2)cc1C ZINC000131218686 525315039 /nfs/dbraw/zinc/31/50/39/525315039.db2.gz PQGXJYNPZWGKRY-UHFFFAOYSA-N 1 0 291.391 2.390 20 10 CECDRO C[S@](=O)C1(C[NH2+]Cc2c(O)cccc2Cl)CCC1 ZINC000280710188 525381192 /nfs/dbraw/zinc/38/11/92/525381192.db2.gz UAUDVUWIIGRWAF-SFHVURJKSA-N 1 0 287.812 2.436 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc(F)ccc1O ZINC000297368730 525552911 /nfs/dbraw/zinc/55/29/11/525552911.db2.gz QJWOIDKDPUYRDD-GXTWGEPZSA-N 1 0 296.386 2.029 20 10 CECDRO COc1cccc(C[N@H+](C)[C@@H](CO)CC(C)C)c1O ZINC000290480966 525918861 /nfs/dbraw/zinc/91/88/61/525918861.db2.gz OAJASUAFISMLCT-CYBMUJFWSA-N 1 0 267.369 2.240 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c(O)c1C ZINC000278866539 525924850 /nfs/dbraw/zinc/92/48/50/525924850.db2.gz RODYTVFOEVUZMX-HEHGZKQESA-N 1 0 279.380 2.200 20 10 CECDRO COc1cccc(C[NH2+]C2CCC(OC)CC2)c1O ZINC000289383765 526012056 /nfs/dbraw/zinc/01/20/56/526012056.db2.gz CVBZRXZZZGNCNP-UHFFFAOYSA-N 1 0 265.353 2.448 20 10 CECDRO OCCC[N@H+](Cc1ccccn1)Cc1ccccc1O ZINC000289382678 527539074 /nfs/dbraw/zinc/53/90/74/527539074.db2.gz CTVKGFJATNKLKA-UHFFFAOYSA-N 1 0 272.348 2.172 20 10 CECDRO CN(Cc1ccccc1O)C(=O)CCCC[NH+](C)C ZINC000729522561 574489206 /nfs/dbraw/zinc/48/92/06/574489206.db2.gz YVINZOBTXPKXEH-UHFFFAOYSA-N 1 0 264.369 2.083 20 10 CECDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1=CC(=O)CS1 ZINC000731870015 574604408 /nfs/dbraw/zinc/60/44/08/574604408.db2.gz HVWYFBYIDGDIAR-MNOVXSKESA-N 1 0 282.409 2.304 20 10 CECDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000732293121 574618323 /nfs/dbraw/zinc/61/83/23/574618323.db2.gz CRDUSWMBVLODGI-JTQLQIEISA-N 1 0 268.382 2.058 20 10 CECDRO C[NH+](C)Cc1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC000732257766 574617503 /nfs/dbraw/zinc/61/75/03/574617503.db2.gz ASXVOMVIXUOKFA-UHFFFAOYSA-N 1 0 290.388 2.445 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)(C)O ZINC000734841315 574731421 /nfs/dbraw/zinc/73/14/21/574731421.db2.gz LIQUXBRKWYJPJZ-JTQLQIEISA-N 1 0 254.349 2.141 20 10 CECDRO C[N@H+](Cc1ccccc1O)Cc1ccccc1-c1nn[nH]n1 ZINC000736828048 574797966 /nfs/dbraw/zinc/79/79/66/574797966.db2.gz FWLVVMDWWXCIKN-UHFFFAOYSA-N 1 0 295.346 2.204 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@](C)(O)c1cccs1 ZINC000740014576 574938997 /nfs/dbraw/zinc/93/89/97/574938997.db2.gz NUFZAMQVRYNHNV-HNNXBMFYSA-N 1 0 293.388 2.460 20 10 CECDRO Cn1cc(C(C)(C)[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000742374396 575017796 /nfs/dbraw/zinc/01/77/96/575017796.db2.gz WJYPWPBAMDXYSS-UHFFFAOYSA-N 1 0 271.364 2.380 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCSC2)c1 ZINC000742382535 575018659 /nfs/dbraw/zinc/01/86/59/575018659.db2.gz CNHXITPAOBBDFM-LLVKDONJSA-N 1 0 253.367 2.386 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+]CCOC1CCC1 ZINC000742385496 575019239 /nfs/dbraw/zinc/01/92/39/575019239.db2.gz HSCKFQSOFITFCQ-UHFFFAOYSA-N 1 0 290.407 2.182 20 10 CECDRO COc1cccc(O)c1C[NH2+]C1CCC(C)(O)CC1 ZINC000749294968 575212636 /nfs/dbraw/zinc/21/26/36/575212636.db2.gz GGCHYKBLNWKYLO-UHFFFAOYSA-N 1 0 265.353 2.184 20 10 CECDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000749544850 575224997 /nfs/dbraw/zinc/22/49/97/575224997.db2.gz QBUGMXGGHXGXOT-UWVGGRQHSA-N 1 0 268.382 2.056 20 10 CECDRO COc1cc(O)c(C[N@H+](C)C[C@@H]2CCCO2)cc1OC ZINC000160227724 622573850 /nfs/dbraw/zinc/57/38/50/622573850.db2.gz LIJATGOGMGORKZ-LBPRGKRZSA-N 1 0 281.352 2.020 20 10 CECDRO COc1cc(C[N@@H+]2CCO[C@H](C)[C@@H]2C)c(O)cc1C ZINC000160432950 623289844 /nfs/dbraw/zinc/28/98/44/623289844.db2.gz WVGSFMPIPJROTK-NWDGAFQWSA-N 1 0 265.353 2.318 20 10 CECDRO C/C=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891247709 623325032 /nfs/dbraw/zinc/32/50/32/623325032.db2.gz UMGMOJLKGICFPP-IDTUSYRASA-N 1 0 275.396 2.048 20 10 CECDRO CC[C@@H](COC)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846147491 623355592 /nfs/dbraw/zinc/35/55/92/623355592.db2.gz VUZDTHZVUJAPIQ-QWRGUYRKSA-N 1 0 253.342 2.476 20 10 CECDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C(C)C)C2)cc1C ZINC001021847551 623545857 /nfs/dbraw/zinc/54/58/57/623545857.db2.gz SMCFWGQQISZMEP-GASCZTMLSA-N 1 0 290.407 2.396 20 10 CECDRO CCOC(C[NH2+][C@@H](C)c1cc(OC)ccc1O)OCC ZINC000093447040 623623404 /nfs/dbraw/zinc/62/34/04/623623404.db2.gz NQELOQHWAQQZOF-NSHDSACASA-N 1 0 283.368 2.451 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)CCO)cc1 ZINC000096811586 624207570 /nfs/dbraw/zinc/20/75/70/624207570.db2.gz USLCISWXLXYHIT-ZDUSSCGKSA-N 1 0 250.386 2.393 20 10 CECDRO CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)c1ccccc1O ZINC000892037921 624266790 /nfs/dbraw/zinc/26/67/90/624266790.db2.gz PBBYBOUDMBJUKF-NWDGAFQWSA-N 1 0 279.384 2.126 20 10 CECDRO CCN(CC)C[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000045691489 624502739 /nfs/dbraw/zinc/50/27/39/624502739.db2.gz GZDNMUMLVJPGKA-LBPRGKRZSA-N 1 0 266.385 2.221 20 10 CECDRO C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccccc1O ZINC000840876545 625164289 /nfs/dbraw/zinc/16/42/89/625164289.db2.gz NUJGHKHKKFRIED-NSHDSACASA-N 1 0 285.409 2.256 20 10 CECDRO C[C@H](CC[NH2+][C@H]1CCc2cccc(O)c21)[S@](C)=O ZINC000311044811 627357758 /nfs/dbraw/zinc/35/77/58/627357758.db2.gz HDAOXAYXFHDZQA-MYFIVHGGSA-N 1 0 267.394 2.126 20 10 CECDRO CN1CCCc2cc(C[NH2+]Cc3cnc[nH]3)ccc21 ZINC000112344672 627884839 /nfs/dbraw/zinc/88/48/39/627884839.db2.gz JEKMPIWGGJTTGN-UHFFFAOYSA-N 1 0 256.353 2.082 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccc(F)cn2)c(O)c1OC ZINC000893152700 628040155 /nfs/dbraw/zinc/04/01/55/628040155.db2.gz VVKAYSRQUXHTHZ-UHFFFAOYSA-N 1 0 292.310 2.233 20 10 CECDRO C[C@@H](CC(=O)NCc1ccccc1O)[C@H]1CCC[NH2+]C1 ZINC000228423529 628187202 /nfs/dbraw/zinc/18/72/02/628187202.db2.gz ZQGSEDRNSQLXEA-STQMWFEESA-N 1 0 276.380 2.034 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c(O)c1OC ZINC000893296864 628266176 /nfs/dbraw/zinc/26/61/76/628266176.db2.gz FRPYYYAIHOMXNY-RYUDHWBXSA-N 1 0 295.379 2.314 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000840910772 628382640 /nfs/dbraw/zinc/38/26/40/628382640.db2.gz RTBQWEPRCCADRP-UKRRQHHQSA-N 1 0 289.423 2.147 20 10 CECDRO CC[C@@H]([NH2+]CCCON)c1cccc(Cl)c1[O-] ZINC000902414823 634664120 /nfs/dbraw/zinc/66/41/20/634664120.db2.gz DBGZKAJGBRFTOO-LLVKDONJSA-N 1 0 258.749 2.367 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c(O)c1OC ZINC000893417116 628592819 /nfs/dbraw/zinc/59/28/19/628592819.db2.gz BXUKMIXLOXYDRK-NEPJUHHUSA-N 1 0 295.379 2.002 20 10 CECDRO COc1ccc(C[NH2+]CC2(OC)CCC2)c(O)c1OC ZINC000893469125 628639262 /nfs/dbraw/zinc/63/92/62/628639262.db2.gz VXDKNMPRIYCDTL-UHFFFAOYSA-N 1 0 281.352 2.068 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C)CCO ZINC000840935634 628752643 /nfs/dbraw/zinc/75/26/43/628752643.db2.gz WTOJBNCRGDANKH-GFCCVEGCSA-N 1 0 250.386 2.169 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C1COC(C)(C)OC1 ZINC000840938409 628756322 /nfs/dbraw/zinc/75/63/22/628756322.db2.gz DJHIJZLQMIEXLE-UHFFFAOYSA-N 1 0 278.396 2.302 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c(Cl)c1 ZINC000840940749 628774971 /nfs/dbraw/zinc/77/49/71/628774971.db2.gz FEZJHDDXNYHYJK-NWDGAFQWSA-N 1 0 299.798 2.089 20 10 CECDRO COc1ccc(N(C)C[C@H]2CCC[NH2+]C2)cc1OC ZINC000258948080 628784654 /nfs/dbraw/zinc/78/46/54/628784654.db2.gz IITBJIJHLKAETL-LBPRGKRZSA-N 1 0 264.369 2.140 20 10 CECDRO c1cc2c(cc1CNC[C@H]1CCCC[NH2+]1)CCCO2 ZINC000258966567 628785731 /nfs/dbraw/zinc/78/57/31/628785731.db2.gz SYCICBXNHZMXIF-OAHLLOKOSA-N 1 0 260.381 2.243 20 10 CECDRO CC[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(F)cc1O ZINC000902468186 634686060 /nfs/dbraw/zinc/68/60/60/634686060.db2.gz MNWBXYSCJWLVKL-IGHBBLSQSA-N 1 0 264.344 2.465 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C(=O)NC(C)C ZINC000840974521 628974190 /nfs/dbraw/zinc/97/41/90/628974190.db2.gz JZCTYPCLFKWSIH-CYBMUJFWSA-N 1 0 277.412 2.064 20 10 CECDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894035047 629091846 /nfs/dbraw/zinc/09/18/46/629091846.db2.gz XEAGNJIJCUKALV-BXKDBHETSA-N 1 0 271.307 2.406 20 10 CECDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1[O-] ZINC000894035049 629091861 /nfs/dbraw/zinc/09/18/61/629091861.db2.gz XEAGNJIJCUKALV-JOYOIKCWSA-N 1 0 271.307 2.406 20 10 CECDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)COC(C)=O ZINC000894044311 629100904 /nfs/dbraw/zinc/10/09/04/629100904.db2.gz ADVDAYGMNMPIOI-GFCCVEGCSA-N 1 0 264.369 2.313 20 10 CECDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000924861661 629125003 /nfs/dbraw/zinc/12/50/03/629125003.db2.gz KROYXFNNOVMPET-WCQYABFASA-N 1 0 293.386 2.039 20 10 CECDRO COc1ccc(C[N@H+](C)CCCCCO)c(O)c1OC ZINC000894113691 629138046 /nfs/dbraw/zinc/13/80/46/629138046.db2.gz WIDPRCFKEXUAHH-UHFFFAOYSA-N 1 0 283.368 2.004 20 10 CECDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000178773719 629151249 /nfs/dbraw/zinc/15/12/49/629151249.db2.gz UNDBVTYLHBPNKU-HNNXBMFYSA-N 1 0 289.375 2.408 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](CO)CC(C)C)c1O ZINC000894200466 629204684 /nfs/dbraw/zinc/20/46/84/629204684.db2.gz MRLRQNZMEZLLMW-CYBMUJFWSA-N 1 0 267.369 2.206 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2ccccc2CO)c1O ZINC000894202416 629205299 /nfs/dbraw/zinc/20/52/99/629205299.db2.gz HBDWSAPPLCQUET-UHFFFAOYSA-N 1 0 287.359 2.491 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1O ZINC000894330761 629361001 /nfs/dbraw/zinc/36/10/01/629361001.db2.gz SUAZFWJRHRXUMU-ZDUSSCGKSA-N 1 0 287.363 2.079 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCN2CCC[C@@H]2C)c1O ZINC000894393255 629425670 /nfs/dbraw/zinc/42/56/70/629425670.db2.gz JYSOVJSGVKGKHB-ZDUSSCGKSA-N 1 0 278.396 2.283 20 10 CECDRO COc1ccc(C[NH2+]CCCCF)c(O)c1OC ZINC000894563249 629533350 /nfs/dbraw/zinc/53/33/50/629533350.db2.gz FLUFBZNXNYMNTI-UHFFFAOYSA-N 1 0 257.305 2.249 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](CO)CC2CCC2)c1O ZINC000894616735 629560710 /nfs/dbraw/zinc/56/07/10/629560710.db2.gz HXKDJGZIDGNKQJ-AWEZNQCLSA-N 1 0 279.380 2.350 20 10 CECDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1O ZINC000894784267 629641053 /nfs/dbraw/zinc/64/10/53/629641053.db2.gz KURPIBVKHHDSHD-ZDUSSCGKSA-N 1 0 295.379 2.410 20 10 CECDRO Cc1cc(O)c(C[N@H+]2[C@H](C)C(=O)N[C@H](C)[C@H]2C)cc1C ZINC000895117745 629917840 /nfs/dbraw/zinc/91/78/40/629917840.db2.gz WAYHFRCQWAUNNZ-JHJVBQTASA-N 1 0 276.380 2.106 20 10 CECDRO CC(=O)OC[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000895156061 629972498 /nfs/dbraw/zinc/97/24/98/629972498.db2.gz RHDYAZJFJVKNDJ-QMMMGPOBSA-N 1 0 257.717 2.087 20 10 CECDRO COc1cc(C)cc(C[NH2+]CCO[C@H]2CC2(F)F)c1O ZINC000895256431 630063295 /nfs/dbraw/zinc/06/32/95/630063295.db2.gz HBOOCCSCSNRUTA-LBPRGKRZSA-N 1 0 287.306 2.223 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CC(C)=NO2)c1O ZINC000895302855 630095217 /nfs/dbraw/zinc/09/52/17/630095217.db2.gz CGIIDBLVAFMRHT-LLVKDONJSA-N 1 0 284.743 2.309 20 10 CECDRO CCCOc1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)cc1C ZINC000895326747 630113539 /nfs/dbraw/zinc/11/35/39/630113539.db2.gz ZXUGKKGKXYINKE-HNNXBMFYSA-N 1 0 290.407 2.398 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000895445708 630194401 /nfs/dbraw/zinc/19/44/01/630194401.db2.gz VVFGARGLGGIPIC-QPUJVOFHSA-N 1 0 293.285 2.111 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000895473102 630210033 /nfs/dbraw/zinc/21/00/33/630210033.db2.gz LQUUCMPLSNFTCB-CABCVRRESA-N 1 0 289.375 2.443 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c(O)c1OC ZINC000895634928 630276812 /nfs/dbraw/zinc/27/68/12/630276812.db2.gz OTAMYPGXGPZNTN-OCCSQVGLSA-N 1 0 293.363 2.067 20 10 CECDRO CCc1cccc(C[N@@H+]2CCc3ncncc3C2)c1O ZINC000895724806 630316215 /nfs/dbraw/zinc/31/62/15/630316215.db2.gz ULRMXGYUXHRYMA-UHFFFAOYSA-N 1 0 269.348 2.303 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1 ZINC000895780166 630348557 /nfs/dbraw/zinc/34/85/57/630348557.db2.gz DJTNBTSRMDRKJK-BDCJCWEESA-N 1 0 286.419 2.469 20 10 CECDRO OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000895835396 630371828 /nfs/dbraw/zinc/37/18/28/630371828.db2.gz CFGVAVHXYJEGNI-GFCCVEGCSA-N 1 0 293.260 2.278 20 10 CECDRO CCc1cccc(C[NH2+][C@H](COC)[C@@H]2CCCOC2)c1O ZINC000895859400 630379580 /nfs/dbraw/zinc/37/95/80/630379580.db2.gz QYNYMGOAYOWTLW-HZPDHXFCSA-N 1 0 293.407 2.486 20 10 CECDRO COc1ccc(C[NH2+]C[C@H]2CC(C)(C)CO2)c(O)c1OC ZINC000895930170 630408591 /nfs/dbraw/zinc/40/85/91/630408591.db2.gz FYPIZNMDIGROHE-GFCCVEGCSA-N 1 0 295.379 2.314 20 10 CECDRO COc1ccc(C[N@@H+]2C[C@H](OC)CC[C@@H]2C)c(O)c1OC ZINC000896076473 630458593 /nfs/dbraw/zinc/45/85/93/630458593.db2.gz QRJTVRUFFNMVEB-WCQYABFASA-N 1 0 295.379 2.409 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)c1O ZINC000896241292 630509650 /nfs/dbraw/zinc/50/96/50/630509650.db2.gz XLPMUZFQDMZSMQ-GFCCVEGCSA-N 1 0 289.335 2.082 20 10 CECDRO CO[C@]1(C[NH2+]Cc2c(C)cccc2O)CCSC1 ZINC000896573244 630601698 /nfs/dbraw/zinc/60/16/98/630601698.db2.gz LKRFHGSEVSXJLD-AWEZNQCLSA-N 1 0 267.394 2.312 20 10 CECDRO O=C1C[C@@H](CC[NH2+]Cc2ccc3ccccc3c2O)CN1 ZINC000896897825 630768274 /nfs/dbraw/zinc/76/82/74/630768274.db2.gz WJHFAOUQHOOKAU-GFCCVEGCSA-N 1 0 284.359 2.161 20 10 CECDRO Cc1ccc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c(O)c1 ZINC000897020389 630873417 /nfs/dbraw/zinc/87/34/17/630873417.db2.gz VBLSTANJMHXSQV-CQSZACIVSA-N 1 0 290.363 2.021 20 10 CECDRO CCO[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000897061230 630910373 /nfs/dbraw/zinc/91/03/73/630910373.db2.gz GOXFJXNUVOHPLX-ZDUSSCGKSA-N 1 0 265.353 2.320 20 10 CECDRO CC[C@H]([NH2+][C@@H](CO)CCOC)c1cc(Cl)ccc1O ZINC000798941197 630955574 /nfs/dbraw/zinc/95/55/74/630955574.db2.gz WNIJPNBLCDFFNU-YPMHNXCESA-N 1 0 287.787 2.484 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H](C)O ZINC000824921542 635526223 /nfs/dbraw/zinc/52/62/23/635526223.db2.gz MWDYVWIDAYRIJF-ZWNOBZJWSA-N 1 0 254.349 2.141 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CC)[C@H](C)O)c(O)c1 ZINC000824921745 635526403 /nfs/dbraw/zinc/52/64/03/635526403.db2.gz PQVHBLCLROEXSJ-GXFFZTMASA-N 1 0 253.342 2.040 20 10 CECDRO COc1ccc2c(c1)CCN2C[C@]1(C)CCC[NH2+]C1 ZINC000904301662 635554009 /nfs/dbraw/zinc/55/40/09/635554009.db2.gz MDPIBKXOJZULSB-MRXNPFEDSA-N 1 0 260.381 2.447 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2COCC2(C)C)cc1F ZINC000825090869 635564287 /nfs/dbraw/zinc/56/42/87/635564287.db2.gz LPTHNIVDAUVENI-AWEZNQCLSA-N 1 0 266.360 2.406 20 10 CECDRO C[C@H](CC(=O)Nc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC000237467912 631695512 /nfs/dbraw/zinc/69/55/12/631695512.db2.gz OQIOVXTZGCHWGL-LLVKDONJSA-N 1 0 261.369 2.233 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@](O)(C(F)F)C1)CCC2 ZINC000840114289 631868089 /nfs/dbraw/zinc/86/80/89/631868089.db2.gz JBGCXRCBDRRLEJ-OAHLLOKOSA-N 1 0 283.318 2.083 20 10 CECDRO [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000897843754 631941256 /nfs/dbraw/zinc/94/12/56/631941256.db2.gz HWVFZMOULUYNFE-CXJYDNQRSA-N 1 0 271.719 2.188 20 10 CECDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccccc3O)[C@H]2C1 ZINC000808445184 631964252 /nfs/dbraw/zinc/96/42/52/631964252.db2.gz AIIWYUARLCKPMM-JYJNAYRXSA-N 1 0 288.391 2.129 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1O ZINC000808689170 632000789 /nfs/dbraw/zinc/00/07/89/632000789.db2.gz ZLTFJSLXCLUFBV-KOLCDFICSA-N 1 0 282.771 2.235 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1O ZINC000840168070 632077633 /nfs/dbraw/zinc/07/76/33/632077633.db2.gz GYABYAUHTSETPI-RYUDHWBXSA-N 1 0 265.378 2.399 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H](O)C2CC2)c1 ZINC000898206755 632086864 /nfs/dbraw/zinc/08/68/64/632086864.db2.gz VFCRDDOBBXYJTJ-OAHLLOKOSA-N 1 0 265.353 2.042 20 10 CECDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000809691955 632128443 /nfs/dbraw/zinc/12/84/43/632128443.db2.gz USBGSBHUGZHZGV-CQSZACIVSA-N 1 0 292.379 2.493 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CC[C@H]2C)cc1OC ZINC000809719337 632132170 /nfs/dbraw/zinc/13/21/70/632132170.db2.gz YBHJLRPQTOIVSZ-KOLCDFICSA-N 1 0 251.326 2.298 20 10 CECDRO COc1cccc(C[NH2+]Cc2cnc3ccccn23)c1O ZINC000809740178 632135270 /nfs/dbraw/zinc/13/52/70/632135270.db2.gz NSKGLTBYLWUXGV-UHFFFAOYSA-N 1 0 283.331 2.338 20 10 CECDRO CC[C@H]([NH2+]CCN1CCCOCC1)c1ccccc1O ZINC000809751940 632140986 /nfs/dbraw/zinc/14/09/86/632140986.db2.gz YSXQXCGRTGQJTK-HNNXBMFYSA-N 1 0 278.396 2.155 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnn3c2CCC3)c1 ZINC000825934102 635735034 /nfs/dbraw/zinc/73/50/34/635735034.db2.gz HCHWRHRYLOCULX-LLVKDONJSA-N 1 0 287.363 2.394 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H](C3CCC3)C1)[C@H](O)CO2 ZINC000840188836 632157718 /nfs/dbraw/zinc/15/77/18/632157718.db2.gz MXZHIUGLPBOUNY-BLLLJJGKSA-N 1 0 289.375 2.440 20 10 CECDRO CCc1cccc(C[NH2+][C@H]2COC[C@H]2C2CC2)c1O ZINC000898376515 632188414 /nfs/dbraw/zinc/18/84/14/632188414.db2.gz MGZSTGIOYMADCE-GJZGRUSLSA-N 1 0 261.365 2.469 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)C(=O)NC(C)C)cc1Cl ZINC000826123686 635764954 /nfs/dbraw/zinc/76/49/54/635764954.db2.gz SSJUZZZYMRXWSL-SNVBAGLBSA-N 1 0 284.787 2.357 20 10 CECDRO CCO[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1O)CN(C)C ZINC000926963935 632391183 /nfs/dbraw/zinc/39/11/83/632391183.db2.gz WASSBOXMFXKRAH-KBPBESRZSA-N 1 0 280.412 2.318 20 10 CECDRO CC[C@@H](COC)[NH2+]C[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000898450672 632499792 /nfs/dbraw/zinc/49/97/92/632499792.db2.gz SONNWIGHKWZNAZ-RDJZCZTQSA-N 1 0 293.455 2.370 20 10 CECDRO Cc1cc(C[N@@H+]2CCN(C)[C@H](C)C2)ccc1N(C)C ZINC000815078903 632955292 /nfs/dbraw/zinc/95/52/92/632955292.db2.gz JJVDFAWYTNUKPS-CQSZACIVSA-N 1 0 261.413 2.197 20 10 CECDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)ccc1N(C)C ZINC000815089361 632957334 /nfs/dbraw/zinc/95/73/34/632957334.db2.gz DARCBXKLVLQAAC-HUUCEWRRSA-N 1 0 289.423 2.195 20 10 CECDRO CCNC(=O)[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(C)C ZINC000815145385 632972009 /nfs/dbraw/zinc/97/20/09/632972009.db2.gz SLBPTXLVESIJAP-ZDUSSCGKSA-N 1 0 284.787 2.296 20 10 CECDRO COC[C@H]([NH2+]Cc1cccc(C)c1O)C1CCOCC1 ZINC000826872116 635868016 /nfs/dbraw/zinc/86/80/16/635868016.db2.gz GXLQTYVKBMQTRZ-HNNXBMFYSA-N 1 0 279.380 2.232 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O)c(O)c1 ZINC000815598245 633037052 /nfs/dbraw/zinc/03/70/52/633037052.db2.gz QBYIXZWRXWRWLV-NEPJUHHUSA-N 1 0 285.409 2.093 20 10 CECDRO O=C1CN(Cc2ccc3ccccc3c2O)CCN1C1CC1 ZINC000816512400 633403907 /nfs/dbraw/zinc/40/39/07/633403907.db2.gz HNWUCRCAHFXIKV-UHFFFAOYSA-N 1 0 296.370 2.352 20 10 CECDRO CN1CC[C@H]([NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816548385 633410114 /nfs/dbraw/zinc/41/01/14/633410114.db2.gz FYCDCTTYRFXZOJ-AWEZNQCLSA-N 1 0 256.349 2.339 20 10 CECDRO COC[C@@H](O)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816559616 633412835 /nfs/dbraw/zinc/41/28/35/633412835.db2.gz PJJNYUFMMLCOIL-AWEZNQCLSA-N 1 0 275.348 2.032 20 10 CECDRO C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C)[N@H+]1C ZINC000816653609 633457935 /nfs/dbraw/zinc/45/79/35/633457935.db2.gz ANKODIPPHOXTGO-BETUJISGSA-N 1 0 279.403 2.416 20 10 CECDRO Cc1cccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1O ZINC000816667177 633460236 /nfs/dbraw/zinc/46/02/36/633460236.db2.gz FQOONMXMEVGLQZ-IRXDYDNUSA-N 1 0 291.391 2.110 20 10 CECDRO C[NH+](C)C1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000817178490 633595220 /nfs/dbraw/zinc/59/52/20/633595220.db2.gz XNWKIIOSWXLDCJ-UHFFFAOYSA-N 1 0 291.395 2.064 20 10 CECDRO COc1cc(C)cc(CN(C)C[C@@H]2CCC[N@@H+]2C)c1O ZINC000817374679 633644840 /nfs/dbraw/zinc/64/48/40/633644840.db2.gz URPJJYOHWUXNQH-AWEZNQCLSA-N 1 0 278.396 2.235 20 10 CECDRO CCOc1cccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1O ZINC000817413145 633652435 /nfs/dbraw/zinc/65/24/35/633652435.db2.gz USJZTTXQUZTGMT-QWHCGFSZSA-N 1 0 279.380 2.241 20 10 CECDRO CCCN1C[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)CC1=O ZINC000817589902 633703601 /nfs/dbraw/zinc/70/36/01/633703601.db2.gz RELKNDQVEJPLDC-GXTWGEPZSA-N 1 0 288.391 2.228 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnccc1N ZINC000817896525 633757884 /nfs/dbraw/zinc/75/78/84/633757884.db2.gz JESNOMIGMDFOMI-LBPRGKRZSA-N 1 0 270.380 2.411 20 10 CECDRO [NH3+][C@H]1CCC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000817897886 633759142 /nfs/dbraw/zinc/75/91/42/633759142.db2.gz CXUXBGIUCJHDMD-JKSUJKDBSA-N 1 0 259.397 2.256 20 10 CECDRO [NH3+][C@H]1CCCCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000817901281 633762010 /nfs/dbraw/zinc/76/20/10/633762010.db2.gz AQKZOKVDZOIHIH-GJZGRUSLSA-N 1 0 260.381 2.371 20 10 CECDRO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[NH2+]C(C)C)c1 ZINC000817954281 633798758 /nfs/dbraw/zinc/79/87/58/633798758.db2.gz WZHBNZARHRYDIX-LBPRGKRZSA-N 1 0 294.395 2.218 20 10 CECDRO Cc1cc(Br)cc([C@H](C)NC2C[NH2+]C2)c1O ZINC000817956259 633799610 /nfs/dbraw/zinc/79/96/10/633799610.db2.gz VAYMXYRKDAAECS-QMMMGPOBSA-N 1 0 285.185 2.086 20 10 CECDRO COC[C@]1(CN[C@@H](C)c2cc(C)ccc2O)CCC[NH2+]1 ZINC000817975147 633818605 /nfs/dbraw/zinc/81/86/05/633818605.db2.gz RCBPZOXTQCYMOW-XJKSGUPXSA-N 1 0 278.396 2.120 20 10 CECDRO COC[C@]1(CN[C@@H](C)c2ccc(C)c(C)c2O)CCC[NH2+]1 ZINC000817974471 633818936 /nfs/dbraw/zinc/81/89/36/633818936.db2.gz MMWJLMHATRSFCC-WMLDXEAASA-N 1 0 292.423 2.428 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817976665 633820347 /nfs/dbraw/zinc/82/03/47/633820347.db2.gz QOSZZRAIAVOCKI-QMTHXVAHSA-N 1 0 291.351 2.093 20 10 CECDRO CC[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1O ZINC000817979621 633821082 /nfs/dbraw/zinc/82/10/82/633821082.db2.gz CATUTYKTUNFHNL-DGCLKSJQSA-N 1 0 270.323 2.430 20 10 CECDRO CC[C@H]([NH3+])CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000817980723 633823554 /nfs/dbraw/zinc/82/35/54/633823554.db2.gz WQAGZPJWMHTIJS-JSGCOSHPSA-N 1 0 295.402 2.050 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+]CC3(C)COC3)C2)cc1 ZINC000818220107 633887345 /nfs/dbraw/zinc/88/73/45/633887345.db2.gz FFROYTARNLALDH-CQSZACIVSA-N 1 0 290.407 2.148 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCCS(C)(=O)=O)c(O)c1C ZINC000818351527 633915444 /nfs/dbraw/zinc/91/54/44/633915444.db2.gz TUKGKSLHWSYZLF-ZDUSSCGKSA-N 1 0 299.436 2.484 20 10 CECDRO C[NH2+]C[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000818608078 633958517 /nfs/dbraw/zinc/95/85/17/633958517.db2.gz LIASQXGNALLGAR-AWEZNQCLSA-N 1 0 291.439 2.345 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3ccnn3)C1)CCC2 ZINC000819896408 634276672 /nfs/dbraw/zinc/27/66/72/634276672.db2.gz GNEXXVGIRHHQLT-MRXNPFEDSA-N 1 0 298.390 2.310 20 10 CECDRO COC[C@@H](C)C[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000822494474 634931280 /nfs/dbraw/zinc/93/12/80/634931280.db2.gz POQWOVLGPGYMBV-GJZGRUSLSA-N 1 0 292.423 2.394 20 10 CECDRO CCOc1ccc(O)c(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000822520488 634935463 /nfs/dbraw/zinc/93/54/63/634935463.db2.gz DHTFZDQJZODFFZ-XJKSGUPXSA-N 1 0 290.407 2.317 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3OC)C2)cc1 ZINC000903199000 635009249 /nfs/dbraw/zinc/00/92/49/635009249.db2.gz IQTFZMFSBMWCSC-XKQJLSEDSA-N 1 0 290.407 2.431 20 10 CECDRO C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000903217438 635020388 /nfs/dbraw/zinc/02/03/88/635020388.db2.gz ANNZZIKXCCICLM-ZIAGYGMSSA-N 1 0 289.423 2.272 20 10 CECDRO C[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1ccccc1O ZINC000903349137 635075709 /nfs/dbraw/zinc/07/57/09/635075709.db2.gz CWHMZOODUNRMRT-ZDUSSCGKSA-N 1 0 291.391 2.365 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2CO)cc1Cl ZINC000824547969 635448083 /nfs/dbraw/zinc/44/80/83/635448083.db2.gz GESVVGUJQQUJGT-LLVKDONJSA-N 1 0 255.745 2.311 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccccc1O ZINC000824564303 635452696 /nfs/dbraw/zinc/45/26/96/635452696.db2.gz IKGCEUZATPBFRM-HOCLYGCPSA-N 1 0 292.423 2.280 20 10 CECDRO COC[C@@]1(C)CC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000824577044 635455634 /nfs/dbraw/zinc/45/56/34/635455634.db2.gz YTQJFKSBUCLGJA-HNNXBMFYSA-N 1 0 265.353 2.259 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2CO)cc1Cl ZINC000824617392 635463643 /nfs/dbraw/zinc/46/36/43/635463643.db2.gz GESVVGUJQQUJGT-NSHDSACASA-N 1 0 255.745 2.311 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@H](CO)[C@@H]2CC)c1O ZINC000824637507 635468446 /nfs/dbraw/zinc/46/84/46/635468446.db2.gz XOCVIVVDBKNGJZ-KGLIPLIRSA-N 1 0 279.380 2.384 20 10 CECDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000824710445 635482701 /nfs/dbraw/zinc/48/27/01/635482701.db2.gz YWFQGPSIOVDLSU-HZMBPMFUSA-N 1 0 285.771 2.187 20 10 CECDRO C[C@@H](Cc1ccco1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879913 635496539 /nfs/dbraw/zinc/49/65/39/635496539.db2.gz PAONOWQDUZHWKD-JTQLQIEISA-N 1 0 275.304 2.435 20 10 CECDRO OC[C@H]([C@@H]([NH2+]Cc1ccccc1O)C1CC1)C1CC1 ZINC000824845093 635509178 /nfs/dbraw/zinc/50/91/78/635509178.db2.gz HOMWBWCCNVISTP-HOCLYGCPSA-N 1 0 261.365 2.279 20 10 CECDRO CCN1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)CC1=O ZINC000824887269 635518024 /nfs/dbraw/zinc/51/80/24/635518024.db2.gz SZLMJOOVBDFXKT-LBPRGKRZSA-N 1 0 282.771 2.064 20 10 CECDRO Cc1ccc(O)c(CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC000824903973 635521735 /nfs/dbraw/zinc/52/17/35/635521735.db2.gz FZWPHXLWPYLCLB-UHFFFAOYSA-N 1 0 278.396 2.295 20 10 CECDRO Cc1cccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)c1O ZINC000824914314 635523558 /nfs/dbraw/zinc/52/35/58/635523558.db2.gz PEJWYBNYCOQCAD-AWEZNQCLSA-N 1 0 297.420 2.100 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)C2CCC2)cc1F ZINC000825241216 635598621 /nfs/dbraw/zinc/59/86/21/635598621.db2.gz XNCTVGRTCXIBJO-HNNXBMFYSA-N 1 0 266.360 2.142 20 10 CECDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OC)c1O ZINC000825284023 635605742 /nfs/dbraw/zinc/60/57/42/635605742.db2.gz DHIZHVKFQKURSG-CHWSQXEVSA-N 1 0 265.353 2.448 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C(C)C)C2=O)cc1Cl ZINC000825291066 635606386 /nfs/dbraw/zinc/60/63/86/635606386.db2.gz DCPGBHXIJPMWJL-CYBMUJFWSA-N 1 0 296.798 2.453 20 10 CECDRO COCCOC[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825320129 635614837 /nfs/dbraw/zinc/61/48/37/635614837.db2.gz HPOCFRBZFIBQRU-LLVKDONJSA-N 1 0 287.787 2.495 20 10 CECDRO CCC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)c(C)cc2O)C1 ZINC000825341779 635621720 /nfs/dbraw/zinc/62/17/20/635621720.db2.gz RUIMRKNHNUWRON-LBPRGKRZSA-N 1 0 296.798 2.455 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCn2ccnn2)cc1Cl ZINC000825497395 635646974 /nfs/dbraw/zinc/64/69/74/635646974.db2.gz HXWSVFKXTSNFBG-UHFFFAOYSA-N 1 0 280.759 2.125 20 10 CECDRO Cc1cc(O)c(C[NH2+]C2(CC(N)=O)CCC2)cc1Cl ZINC000825543141 635659019 /nfs/dbraw/zinc/65/90/19/635659019.db2.gz OOTOXGGRCLXBFU-UHFFFAOYSA-N 1 0 282.771 2.242 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)CC(F)F)cc1Cl ZINC000825697841 635696931 /nfs/dbraw/zinc/69/69/31/635696931.db2.gz KNEXOCVUPPRURM-VIFPVBQESA-N 1 0 279.714 2.460 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)C(C)(C)C[NH3+])cc1 ZINC000826019829 635747751 /nfs/dbraw/zinc/74/77/51/635747751.db2.gz LCWLFAWLIPGWRD-UHFFFAOYSA-N 1 0 291.439 2.476 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000826099741 635761017 /nfs/dbraw/zinc/76/10/17/635761017.db2.gz HEOXOTZSAGBDFF-TZMCWYRMSA-N 1 0 285.771 2.248 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](OC)[C@H]2CCOC2)c1O ZINC000826822178 635855038 /nfs/dbraw/zinc/85/50/38/635855038.db2.gz MLFYJXGZYMEYJF-LSDHHAIUSA-N 1 0 279.380 2.096 20 10 CECDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cccc(C)c2O)C1 ZINC000826902014 635876578 /nfs/dbraw/zinc/87/65/78/635876578.db2.gz GTGZSVWYHZWYDW-IMJJTQAJSA-N 1 0 293.407 2.356 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)CC2CN(C)C2)cc1Cl ZINC000827126310 636224677 /nfs/dbraw/zinc/22/46/77/636224677.db2.gz ZEBYFYBPWJSJQX-UHFFFAOYSA-N 1 0 268.788 2.347 20 10 CECDRO C[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H]1COCCO1 ZINC000827141434 636234052 /nfs/dbraw/zinc/23/40/52/636234052.db2.gz SZTJYHOLZPJRGT-OAHLLOKOSA-N 1 0 287.359 2.393 20 10 CECDRO CCOc1ccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c(O)c1 ZINC000827152047 636238082 /nfs/dbraw/zinc/23/80/82/636238082.db2.gz PQHZXBHNKWSJOA-RYUDHWBXSA-N 1 0 279.380 2.240 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@](C)(O)C(C)=O)cc1 ZINC000827337205 636297935 /nfs/dbraw/zinc/29/79/35/636297935.db2.gz TZFDCULZPSBBDY-KRWDZBQOSA-N 1 0 292.423 2.305 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)C2(CO)CCOCC2)cc1Cl ZINC000827908641 636457535 /nfs/dbraw/zinc/45/75/35/636457535.db2.gz PQOSFACBCNOVMG-UHFFFAOYSA-N 1 0 299.798 2.327 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000828667877 636650651 /nfs/dbraw/zinc/65/06/51/636650651.db2.gz VSKFKLHIFKAIMS-QJPTWQEYSA-N 1 0 292.379 2.096 20 10 CECDRO CCCC[N@@H+](Cc1ccccc1O)C[C@H](C)S(C)(=O)=O ZINC000829516039 636872834 /nfs/dbraw/zinc/87/28/34/636872834.db2.gz NWQXABANFLXEIE-ZDUSSCGKSA-N 1 0 299.436 2.427 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000829764753 636924608 /nfs/dbraw/zinc/92/46/08/636924608.db2.gz WHYIOFPIXOBVPD-AWEZNQCLSA-N 1 0 289.423 2.067 20 10 CECDRO C[C@H](NC(=O)C12CC[NH+](CC1)C2)c1ccc(N(C)C)cc1 ZINC000907494345 637035712 /nfs/dbraw/zinc/03/57/12/637035712.db2.gz XBHTUJZGWJIDFZ-ZDUSSCGKSA-N 1 0 287.407 2.026 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C(C)(C)C)cc1 ZINC000830544924 637099522 /nfs/dbraw/zinc/09/95/22/637099522.db2.gz AHGQVRZMJALBFJ-UHFFFAOYSA-N 1 0 277.412 2.099 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000831211267 637255897 /nfs/dbraw/zinc/25/58/97/637255897.db2.gz FEDHDSYDIJNCIB-OLZOCXBDSA-N 1 0 293.411 2.440 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000831211271 637256050 /nfs/dbraw/zinc/25/60/50/637256050.db2.gz FEDHDSYDIJNCIB-STQMWFEESA-N 1 0 293.411 2.440 20 10 CECDRO C[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000832281590 637532845 /nfs/dbraw/zinc/53/28/45/637532845.db2.gz UNXOVSDFYAYCNB-MLGOLLRUSA-N 1 0 289.423 2.305 20 10 CECDRO [NH3+][C@@H]1CC=C(C(=O)N2CCCc3cc(F)ccc32)C1 ZINC000876586446 650346356 /nfs/dbraw/zinc/34/63/56/650346356.db2.gz FFTFRMVGJMLCGN-CYBMUJFWSA-N 1 0 260.312 2.152 20 10 CECDRO COc1ccc2c(c1)CCN2C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876630791 650367326 /nfs/dbraw/zinc/36/73/26/650367326.db2.gz KUTYWPAGVHMOLO-LVDDQXARSA-N 1 0 286.375 2.140 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c1 ZINC000834850620 637971015 /nfs/dbraw/zinc/97/10/15/637971015.db2.gz OEILSIIZUMKOEF-LSDHHAIUSA-N 1 0 292.423 2.198 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000834890655 637979001 /nfs/dbraw/zinc/97/90/01/637979001.db2.gz LOQKOQFPQBZRDC-KFWWJZLASA-N 1 0 290.407 2.214 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000834904011 637982528 /nfs/dbraw/zinc/98/25/28/637982528.db2.gz MCNUZJRWXJYDOV-NWANDNLSSA-N 1 0 279.380 2.464 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834902846 637982915 /nfs/dbraw/zinc/98/29/15/637982915.db2.gz DJXLJJXOXZSQDA-XIDUGBJDSA-N 1 0 295.354 2.473 20 10 CECDRO Cc1cnc(CC[NH2+][C@H](C)c2ccccc2O)cn1 ZINC000834908119 637984729 /nfs/dbraw/zinc/98/47/29/637984729.db2.gz HAASDHJDDIFJNS-GFCCVEGCSA-N 1 0 257.337 2.384 20 10 CECDRO CC[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(C)cc1O ZINC000834907811 637984846 /nfs/dbraw/zinc/98/48/46/637984846.db2.gz CVBYVDLLCXIJSM-BBRMVZONSA-N 1 0 276.380 2.410 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c(O)c1 ZINC000834910394 637986127 /nfs/dbraw/zinc/98/61/27/637986127.db2.gz WTMYTROICJGWRQ-NHYWBVRUSA-N 1 0 262.353 2.020 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@H+](CCO)C2CC2)cc1 ZINC000835026218 638029290 /nfs/dbraw/zinc/02/92/90/638029290.db2.gz SGJNMUNMBAHLQQ-ONEGZZNKSA-N 1 0 260.381 2.223 20 10 CECDRO CCN(CC)C(=O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835038006 638034267 /nfs/dbraw/zinc/03/42/67/638034267.db2.gz SWVMWMVZIZQPRP-BQYQJAHWSA-N 1 0 289.423 2.224 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@H+](C)CC2(CO)CC2)cc1 ZINC000835045688 638036370 /nfs/dbraw/zinc/03/63/70/638036370.db2.gz OBQYNCBIBXKTQG-PLNGDYQASA-N 1 0 274.408 2.470 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]C2(CC(N)=O)CCC2)cc1 ZINC000835046644 638037111 /nfs/dbraw/zinc/03/71/11/638037111.db2.gz LQHQKIBXHZQTCO-HWKANZROSA-N 1 0 287.407 2.154 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1 ZINC000835055218 638040722 /nfs/dbraw/zinc/04/07/22/638040722.db2.gz XEUFDFZONFICPL-JFDDCEBESA-N 1 0 274.408 2.469 20 10 CECDRO C[C@@H]1[C@H](O)CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835055745 638041704 /nfs/dbraw/zinc/04/17/04/638041704.db2.gz YNIAASPFMZUGGN-LVQRLBQTSA-N 1 0 260.381 2.221 20 10 CECDRO COCC(COC)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055687 638041808 /nfs/dbraw/zinc/04/18/08/638041808.db2.gz XOFHUQFKIKXBNO-AATRIKPKSA-N 1 0 278.396 2.017 20 10 CECDRO CN(C)CC(C)(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000835068249 638047129 /nfs/dbraw/zinc/04/71/29/638047129.db2.gz DFKKQLVPXOHVHQ-UHFFFAOYSA-N 1 0 267.392 2.322 20 10 CECDRO CCOc1ccc(C[N@H+](C)C2CCN(OC)CC2)c(O)c1 ZINC000835075796 638050151 /nfs/dbraw/zinc/05/01/51/638050151.db2.gz BPFMAVCTBYPNNY-UHFFFAOYSA-N 1 0 294.395 2.249 20 10 CECDRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000876739060 650414534 /nfs/dbraw/zinc/41/45/34/650414534.db2.gz BWHHLHONAYGLCM-CQSZACIVSA-N 1 0 295.402 2.271 20 10 CECDRO CN1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000876754328 650421428 /nfs/dbraw/zinc/42/14/28/650421428.db2.gz MQHUANGRLWWROP-HVHJFMEUSA-N 1 0 299.418 2.021 20 10 CECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876782184 650428880 /nfs/dbraw/zinc/42/88/80/650428880.db2.gz NBYMTYQQEFERIC-HNNXBMFYSA-N 1 0 263.337 2.086 20 10 CECDRO Fc1cc(C[NH+]2CCSCC2)ccc1N1CCOCC1 ZINC000126196205 650450502 /nfs/dbraw/zinc/45/05/02/650450502.db2.gz CEBBTVAMVZDOOB-UHFFFAOYSA-N 1 0 296.411 2.211 20 10 CECDRO Cc1ccc2c(c1)CCN2C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876885141 650473055 /nfs/dbraw/zinc/47/30/55/650473055.db2.gz LDBPRXCLMBZYDF-BRLPQQTGSA-N 1 0 270.376 2.440 20 10 CECDRO COc1cc(C)cc(C[NH+]2CCC3(CC2)OCCO3)c1O ZINC000163904866 639336943 /nfs/dbraw/zinc/33/69/43/639336943.db2.gz FEBCBPMPKHSUAW-UHFFFAOYSA-N 1 0 293.363 2.048 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccccc1O ZINC000156382689 639348303 /nfs/dbraw/zinc/34/83/03/639348303.db2.gz RAMRENSWCTXHIL-WCQYABFASA-N 1 0 285.409 2.256 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000156574571 639362096 /nfs/dbraw/zinc/36/20/96/639362096.db2.gz JMGLBQOKJYOMHE-STQMWFEESA-N 1 0 277.412 2.084 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c(O)c1 ZINC000876933829 650492488 /nfs/dbraw/zinc/49/24/88/650492488.db2.gz AEFUQLUUDCYPBR-GJZGRUSLSA-N 1 0 260.381 2.417 20 10 CECDRO CNC(=O)c1ccc(C[NH2+]Cc2cccc(C)c2O)cc1 ZINC000158102012 639569447 /nfs/dbraw/zinc/56/94/47/639569447.db2.gz ALLMOOBIJWOVIM-UHFFFAOYSA-N 1 0 284.359 2.350 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000840910633 639583155 /nfs/dbraw/zinc/58/31/55/639583155.db2.gz UMPCYPKGNOQNSF-UHFFFAOYSA-N 1 0 290.407 2.400 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cn[nH]c1 ZINC000840916103 639584180 /nfs/dbraw/zinc/58/41/80/639584180.db2.gz WVRJMPOXBLFSIF-UHFFFAOYSA-N 1 0 258.369 2.416 20 10 CECDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933232 639590133 /nfs/dbraw/zinc/59/01/33/639590133.db2.gz FWZCTIIIWMWLMV-OAHLLOKOSA-N 1 0 282.453 2.265 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCOC[C@H]1CCCO1 ZINC000840933726 639590378 /nfs/dbraw/zinc/59/03/78/639590378.db2.gz IFSFVIGCNJSSHC-QGZVFWFLSA-N 1 0 292.423 2.346 20 10 CECDRO Cc1cc(O)c(CN(C)CC[NH+](C)C)c(Cl)c1 ZINC000840945842 639596576 /nfs/dbraw/zinc/59/65/76/639596576.db2.gz CQTZHPGTCZYELF-UHFFFAOYSA-N 1 0 256.777 2.347 20 10 CECDRO COCC[C@H](COC)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840948718 639597266 /nfs/dbraw/zinc/59/72/66/639597266.db2.gz WXWRKEREFPFOPU-OAHLLOKOSA-N 1 0 280.412 2.202 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCCC(F)(F)[C@@H]1O ZINC000840971041 639604413 /nfs/dbraw/zinc/60/44/13/639604413.db2.gz FHGORQIYYBQBGH-CMPLNLGQSA-N 1 0 275.270 2.170 20 10 CECDRO CC(C)NC(=O)[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000840974265 639606282 /nfs/dbraw/zinc/60/62/82/639606282.db2.gz DAMJFILECDFOGU-UZYOAWRESA-N 1 0 289.423 2.269 20 10 CECDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000840978547 639608253 /nfs/dbraw/zinc/60/82/53/639608253.db2.gz OIMYYEWHCWHKJV-QWRGUYRKSA-N 1 0 253.317 2.124 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H](CO)[C@H]2C)cc1OC ZINC000840979897 639608285 /nfs/dbraw/zinc/60/82/85/639608285.db2.gz VKSDWLJPABONDV-VXGBXAGGSA-N 1 0 295.379 2.002 20 10 CECDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000228099092 639617001 /nfs/dbraw/zinc/61/70/01/639617001.db2.gz HFNWUOCMTOHOLG-CQSZACIVSA-N 1 0 282.771 2.004 20 10 CECDRO [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841033813 639626217 /nfs/dbraw/zinc/62/62/17/639626217.db2.gz ZRIZFUAUNDFCJA-SECBINFHSA-N 1 0 272.751 2.274 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H](N)c1ccccc1 ZINC000841034322 639626394 /nfs/dbraw/zinc/62/63/94/639626394.db2.gz CKBJMSVZMKVFFG-AWEZNQCLSA-N 1 0 272.348 2.190 20 10 CECDRO CCOc1ccc(O)c(CNC[C@@H]2CCCC[NH2+]2)c1 ZINC000841033614 639626861 /nfs/dbraw/zinc/62/68/61/639626861.db2.gz XSPNCIQHADYEQD-ZDUSSCGKSA-N 1 0 264.369 2.023 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](N)c2ccccc2)c1 ZINC000841036117 639627951 /nfs/dbraw/zinc/62/79/51/639627951.db2.gz JYICQFGXZFXVAH-OAHLLOKOSA-N 1 0 256.349 2.490 20 10 CECDRO Cc1noc(C)c1CNC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044844 639631279 /nfs/dbraw/zinc/63/12/79/639631279.db2.gz YZRIPNWWLVGWPJ-MRXNPFEDSA-N 1 0 288.395 2.147 20 10 CECDRO [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000841058062 639635282 /nfs/dbraw/zinc/63/52/82/639635282.db2.gz OTOMSOCHUOZMON-WDEREUQCSA-N 1 0 254.761 2.405 20 10 CECDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1cc(Br)ccc1O ZINC000841059577 639636420 /nfs/dbraw/zinc/63/64/20/639636420.db2.gz UUTXMQQXLMKTCB-SKDRFNHKSA-N 1 0 299.212 2.242 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@H]1C[NH2+]CC[C@H]1C ZINC000841059733 639637179 /nfs/dbraw/zinc/63/71/79/639637179.db2.gz WIWRZHAOFBMBNS-MLGOLLRUSA-N 1 0 261.413 2.149 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC[NH2+]1 ZINC000841062838 639638498 /nfs/dbraw/zinc/63/84/98/639638498.db2.gz YHLORBPXJAURFS-LDYMZIIASA-N 1 0 272.751 2.415 20 10 CECDRO CN(C)c1ccc(/C=C\CN[C@@H](CC[NH3+])C(F)F)cc1 ZINC000841074679 639645031 /nfs/dbraw/zinc/64/50/31/639645031.db2.gz QFYZEPCAKUHVLM-NQHOJNORSA-N 1 0 283.366 2.338 20 10 CECDRO Oc1ccc(Br)cc1CN[C@@H]1CCCC[NH2+]C1 ZINC000841090335 639653436 /nfs/dbraw/zinc/65/34/36/639653436.db2.gz ODVUUSLSQWYQKE-GFCCVEGCSA-N 1 0 299.212 2.386 20 10 CECDRO Nc1ccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000841296863 639730605 /nfs/dbraw/zinc/73/06/05/639730605.db2.gz JGHWCNLKSVTACP-UHFFFAOYSA-N 1 0 288.395 2.265 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(Cl)cc1O ZINC000841748533 639856606 /nfs/dbraw/zinc/85/66/06/639856606.db2.gz AMMCJSMZCQNGEE-LKFCYVNXSA-N 1 0 295.770 2.163 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000877014829 650532103 /nfs/dbraw/zinc/53/21/03/650532103.db2.gz SDJGHMSBBSSPID-HNNXBMFYSA-N 1 0 271.360 2.394 20 10 CECDRO C[C@@H](NC(=O)N[C@@H](C)CCC[NH3+])c1ccc(N(C)C)cc1 ZINC000841882049 639897858 /nfs/dbraw/zinc/89/78/58/639897858.db2.gz VRRSSHYNPWOKOZ-QWHCGFSZSA-N 1 0 292.427 2.240 20 10 CECDRO Cc1cccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c1O ZINC000841890362 639900350 /nfs/dbraw/zinc/90/03/50/639900350.db2.gz OIAYQNBWMYJKAL-UHFFFAOYSA-N 1 0 293.407 2.358 20 10 CECDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000841950655 639910200 /nfs/dbraw/zinc/91/02/00/639910200.db2.gz VEGZINYDABREPN-TZMCWYRMSA-N 1 0 291.395 2.051 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000842007360 639918300 /nfs/dbraw/zinc/91/83/00/639918300.db2.gz SSRNJIGWSGMWAO-CHWSQXEVSA-N 1 0 292.427 2.020 20 10 CECDRO CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000842224707 639978323 /nfs/dbraw/zinc/97/83/23/639978323.db2.gz FBXVXNGDBXAWHY-SJORKVTESA-N 1 0 294.439 2.144 20 10 CECDRO Cc1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)c(O)c1 ZINC000877036736 650542211 /nfs/dbraw/zinc/54/22/11/650542211.db2.gz ICEZCZHWKKXMLU-MRXNPFEDSA-N 1 0 271.360 2.394 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCCc2ncn(C)n2)cc1 ZINC000842738637 640164301 /nfs/dbraw/zinc/16/43/01/640164301.db2.gz QFFMMZUAADCBAD-XQRVVYSFSA-N 1 0 299.422 2.117 20 10 CECDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)c1ccc(N)cc1 ZINC000877077661 650562006 /nfs/dbraw/zinc/56/20/06/650562006.db2.gz QOEQHNCJNWSEIG-CYBMUJFWSA-N 1 0 263.385 2.256 20 10 CECDRO C[C@@H]1C[NH2+]C[C@H](C)N1C/C=C\c1ccc(N(C)C)cc1 ZINC000843063714 640264650 /nfs/dbraw/zinc/26/46/50/640264650.db2.gz AEKATMBXACLLPH-YPDHSMTDSA-N 1 0 273.424 2.448 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1O ZINC000843129890 640296032 /nfs/dbraw/zinc/29/60/32/640296032.db2.gz SRXJBXQYGXYVLA-BDAKNGLRSA-N 1 0 272.776 2.270 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])ccc1OC ZINC000843129884 640296214 /nfs/dbraw/zinc/29/62/14/640296214.db2.gz SRPOCXLNAKUPHH-STQMWFEESA-N 1 0 280.412 2.447 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2C[NH3+])c1O ZINC000843347180 640398569 /nfs/dbraw/zinc/39/85/69/640398569.db2.gz BTBOGMVDMOMTMU-CYBMUJFWSA-N 1 0 280.343 2.047 20 10 CECDRO CCN(CCC[NH2+]C)c1ccc(OC)c(OC)c1 ZINC000843357755 640401565 /nfs/dbraw/zinc/40/15/65/640401565.db2.gz SYWVZTBPTLXRNH-UHFFFAOYSA-N 1 0 252.358 2.140 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c1O ZINC000153168938 640413742 /nfs/dbraw/zinc/41/37/42/640413742.db2.gz UTYPAEDZLBZPHW-XBXGTLAGSA-N 1 0 279.380 2.432 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1O ZINC000843414908 640420193 /nfs/dbraw/zinc/42/01/93/640420193.db2.gz FNHVVBVPWXDNGO-CYBMUJFWSA-N 1 0 276.380 2.190 20 10 CECDRO O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000843490374 640442379 /nfs/dbraw/zinc/44/23/79/640442379.db2.gz SWZHBFLUWRNSPA-HNNXBMFYSA-N 1 0 288.391 2.029 20 10 CECDRO [NH3+]C1(C(=O)NCc2c(O)ccc3c2CCCC3)CCCC1 ZINC000843489780 640442408 /nfs/dbraw/zinc/44/24/08/640442408.db2.gz LXNBDYNFJOOLBY-UHFFFAOYSA-N 1 0 288.391 2.159 20 10 CECDRO CCc1nnc([C@H](C)[NH2+]Cc2ccc(C)cc2O)[nH]1 ZINC000877130413 650587372 /nfs/dbraw/zinc/58/73/72/650587372.db2.gz RIKMXASICBMWJO-JTQLQIEISA-N 1 0 260.341 2.232 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccccc1O ZINC000844313055 640673457 /nfs/dbraw/zinc/67/34/57/640673457.db2.gz QKKDUXIMILIBRR-JQWIXIFHSA-N 1 0 276.336 2.026 20 10 CECDRO CCOC(=O)CC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399864 640708614 /nfs/dbraw/zinc/70/86/14/640708614.db2.gz QRCWWUDEPDMGGA-UHFFFAOYSA-N 1 0 294.395 2.016 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)Cc2c[nH]nc2C)cc1 ZINC000846052470 641163906 /nfs/dbraw/zinc/16/39/06/641163906.db2.gz ODQQSXRPAQMOGX-UHFFFAOYSA-N 1 0 288.395 2.295 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C2CCN(C)CC2)c1O ZINC000846138604 641197441 /nfs/dbraw/zinc/19/74/41/641197441.db2.gz WQVWFYWPNOIDFP-NSHDSACASA-N 1 0 264.369 2.146 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)Cn2ccnc2)c1O ZINC000846138199 641197663 /nfs/dbraw/zinc/19/76/63/641197663.db2.gz AAIFZGMXNGWGCO-NEPJUHHUSA-N 1 0 275.352 2.337 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CC[C@@H](C)OC)c1O ZINC000846143643 641200467 /nfs/dbraw/zinc/20/04/67/641200467.db2.gz FKXQNPBCDNNDFM-MNOVXSKESA-N 1 0 253.342 2.476 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)c1O ZINC000846148261 641202667 /nfs/dbraw/zinc/20/26/67/641202667.db2.gz YUUDXNJBGPZWAO-MEBBXXQBSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](CO)C(C)C)c1O ZINC000846149575 641203134 /nfs/dbraw/zinc/20/31/34/641203134.db2.gz JVNZCMQSJFGSNQ-ZYHUDNBSSA-N 1 0 253.342 2.068 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)CO)c1O ZINC000846155249 641206212 /nfs/dbraw/zinc/20/62/12/641206212.db2.gz FOAUTPJUFAJNFL-SNVBAGLBSA-N 1 0 253.342 2.070 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCC2CC(O)C2)c1O ZINC000846167106 641209489 /nfs/dbraw/zinc/20/94/89/641209489.db2.gz UECVLNDZRFJRHV-VOMCLLRMSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1O ZINC000846165578 641209781 /nfs/dbraw/zinc/20/97/81/641209781.db2.gz VVKAFHAGAADCTI-ZWKOPEQDSA-N 1 0 265.353 2.211 20 10 CECDRO CC[NH+](CC)C[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000921117923 641228327 /nfs/dbraw/zinc/22/83/27/641228327.db2.gz GDCBTQUKGRSXMZ-CYBMUJFWSA-N 1 0 293.411 2.264 20 10 CECDRO C[C@H](NC(=O)[C@H]1[NH2+]CCc2ccccc21)c1ccccc1O ZINC000877256125 650644094 /nfs/dbraw/zinc/64/40/94/650644094.db2.gz NVYAITMEBNGQMX-SJCJKPOMSA-N 1 0 296.370 2.456 20 10 CECDRO CC[C@@H](C(=O)NCc1cc(Cl)ccc1O)[NH+](C)C ZINC000846475812 641312356 /nfs/dbraw/zinc/31/23/56/641312356.db2.gz JYZDJQVDTDKXPH-NSHDSACASA-N 1 0 270.760 2.002 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CC=CCC2)cc1 ZINC000846663984 641381538 /nfs/dbraw/zinc/38/15/38/641381538.db2.gz UDCRSXGWVBCRFF-HOCLYGCPSA-N 1 0 287.407 2.225 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000846677097 641388033 /nfs/dbraw/zinc/38/80/33/641388033.db2.gz MWOOVNUFDKCFGR-OAHLLOKOSA-N 1 0 289.423 2.101 20 10 CECDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877323473 650676297 /nfs/dbraw/zinc/67/62/97/650676297.db2.gz PHEITDSTJSQNEF-RYUDHWBXSA-N 1 0 265.353 2.378 20 10 CECDRO CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000070575987 641684303 /nfs/dbraw/zinc/68/43/03/641684303.db2.gz QXJMDWHQBLJTAJ-HUUCEWRRSA-N 1 0 289.423 2.229 20 10 CECDRO O=C(CC[NH2+]C1CC1)NCc1c(O)ccc2c1CCCC2 ZINC000848427599 641991486 /nfs/dbraw/zinc/99/14/86/641991486.db2.gz ZDZYGBVINVUBQD-UHFFFAOYSA-N 1 0 288.391 2.029 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000877430220 650716554 /nfs/dbraw/zinc/71/65/54/650716554.db2.gz BPQDRXIAYQPHDH-UHFFFAOYSA-N 1 0 286.379 2.204 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccccc1O ZINC000848562232 642055035 /nfs/dbraw/zinc/05/50/35/642055035.db2.gz BNUWSBBYQJDHMQ-AAEUAGOBSA-N 1 0 286.379 2.119 20 10 CECDRO [NH3+]C[C@H](NCc1c(O)cccc1Cl)C(F)(F)F ZINC000848715650 642102974 /nfs/dbraw/zinc/10/29/74/642102974.db2.gz IAVZZTVSXNKFLH-VIFPVBQESA-N 1 0 268.666 2.025 20 10 CECDRO CCc1cccc(C[N@H+](C)C[C@@H](C)C(=O)OC)c1O ZINC000848882617 642168995 /nfs/dbraw/zinc/16/89/95/642168995.db2.gz VXCIVVAAJQKTTM-LLVKDONJSA-N 1 0 265.353 2.196 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)CO[C@@H]2CCOC2)c1O ZINC000848898542 642178317 /nfs/dbraw/zinc/17/83/17/642178317.db2.gz DWSBIVSJCWHNDT-IUODEOHRSA-N 1 0 279.380 2.238 20 10 CECDRO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cccc(CC)c1O ZINC000848906474 642183213 /nfs/dbraw/zinc/18/32/13/642183213.db2.gz WTZZQSVEJHWASF-QGZVFWFLSA-N 1 0 290.407 2.445 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000877461252 650729763 /nfs/dbraw/zinc/72/97/63/650729763.db2.gz CHKCVNACVTTWDF-CQSZACIVSA-N 1 0 276.380 2.047 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1O ZINC000848914353 642188436 /nfs/dbraw/zinc/18/84/36/642188436.db2.gz IBEBOBUKRCEBOM-HUUCEWRRSA-N 1 0 288.391 2.198 20 10 CECDRO [NH2+]=C(NCc1cc(Cl)ccc1O)NC1CCC1 ZINC000849050043 642258410 /nfs/dbraw/zinc/25/84/10/642258410.db2.gz XJGDLDGYTRJLQY-UHFFFAOYSA-N 1 0 253.733 2.212 20 10 CECDRO Cc1c(C[N@H+](C)Cc2ccc(C)cc2O)cnn1C ZINC000877485777 650744585 /nfs/dbraw/zinc/74/45/85/650744585.db2.gz GRSRQZPQOTZIRA-UHFFFAOYSA-N 1 0 259.353 2.375 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC(C)(C)[NH3+] ZINC000084181383 642314901 /nfs/dbraw/zinc/31/49/01/642314901.db2.gz JAYCACJEEZJMEI-UHFFFAOYSA-N 1 0 277.412 2.229 20 10 CECDRO CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC000998322802 642384811 /nfs/dbraw/zinc/38/48/11/642384811.db2.gz LSUMEYUWUPGIGA-HNNXBMFYSA-N 1 0 290.407 2.494 20 10 CECDRO CC(C)(C)C(=O)NCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921691554 642538042 /nfs/dbraw/zinc/53/80/42/642538042.db2.gz CMOZRPTXZNINME-UHFFFAOYSA-N 1 0 290.407 2.264 20 10 CECDRO c1cc2c(cc1C[NH2+]CCN1CCSCC1)CCCO2 ZINC000921734722 642565692 /nfs/dbraw/zinc/56/56/92/642565692.db2.gz YCTZAGYOYMXFAT-UHFFFAOYSA-N 1 0 292.448 2.150 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000850113612 642584552 /nfs/dbraw/zinc/58/45/52/642584552.db2.gz OKIPCPAKYNRAJK-UHFFFAOYSA-N 1 0 257.337 2.289 20 10 CECDRO NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921766814 642596210 /nfs/dbraw/zinc/59/62/10/642596210.db2.gz VXMORWHUXZJLGT-HUUCEWRRSA-N 1 0 288.391 2.145 20 10 CECDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877530328 650770639 /nfs/dbraw/zinc/77/06/39/650770639.db2.gz SHHJZONRMVCSGY-OAHLLOKOSA-N 1 0 290.407 2.439 20 10 CECDRO COc1ccc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)cc1C ZINC000850344684 642674377 /nfs/dbraw/zinc/67/43/77/642674377.db2.gz SEYYAVMPAHOTPJ-ZBFHGGJFSA-N 1 0 279.380 2.145 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3cc[nH]c3)C2)cc1 ZINC000850347154 642675573 /nfs/dbraw/zinc/67/55/73/642675573.db2.gz OTIMUQCJTMFPRL-AWEZNQCLSA-N 1 0 271.364 2.392 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c1O ZINC000850356636 642679589 /nfs/dbraw/zinc/67/95/89/642679589.db2.gz QUZYUIWBZBYZDK-MTJIALIYSA-N 1 0 297.420 2.180 20 10 CECDRO Fc1cc(C[NH2+][C@@H]2C=CCC2)ccc1N1CCOCC1 ZINC000850358738 642682439 /nfs/dbraw/zinc/68/24/39/642682439.db2.gz KKZCKUIQBKBYTL-CQSZACIVSA-N 1 0 276.355 2.471 20 10 CECDRO CCn1cc(CNC/C=C\c2ccc(N(C)C)cc2)nn1 ZINC000850366696 642682984 /nfs/dbraw/zinc/68/29/84/642682984.db2.gz JHGZQMYIDKZNMI-WAYWQWQTSA-N 1 0 285.395 2.167 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](O)C23CCC3)cc1C ZINC000850387938 642695841 /nfs/dbraw/zinc/69/58/41/642695841.db2.gz DCONVJTWNQYZBJ-GJZGRUSLSA-N 1 0 261.365 2.402 20 10 CECDRO CCCN1CC[C@@H]([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000850395263 642699153 /nfs/dbraw/zinc/69/91/53/642699153.db2.gz QGZRYIGUTMTRRS-CQSZACIVSA-N 1 0 279.403 2.466 20 10 CECDRO CCCN1CC[C@@H]([NH2+]Cc2cc(OCC)ccc2O)C1 ZINC000850395492 642699167 /nfs/dbraw/zinc/69/91/67/642699167.db2.gz UEZNBABDTYVNLU-CQSZACIVSA-N 1 0 278.396 2.365 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)c2nccn2C)c1O ZINC000850410304 642703602 /nfs/dbraw/zinc/70/36/02/642703602.db2.gz KTUGKSYOBAOTGG-LLVKDONJSA-N 1 0 275.352 2.375 20 10 CECDRO CON(C)CC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000850478977 642725913 /nfs/dbraw/zinc/72/59/13/642725913.db2.gz ISJQUKIDLBHOBA-LBPRGKRZSA-N 1 0 278.396 2.415 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccccc1O ZINC000850499516 642732751 /nfs/dbraw/zinc/73/27/51/642732751.db2.gz QXXCSQYRNQXEQB-JBLDHEPKSA-N 1 0 258.325 2.340 20 10 CECDRO CCn1cc(C[NH2+][C@H](C)c2c(C)cc(C)cc2O)nn1 ZINC000850522750 642738944 /nfs/dbraw/zinc/73/89/44/642738944.db2.gz YTGBVCXZOSHNDH-GFCCVEGCSA-N 1 0 274.368 2.471 20 10 CECDRO COC(=O)N(C)CC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000850548537 642749690 /nfs/dbraw/zinc/74/96/90/642749690.db2.gz UVCUXHXHNYTAJS-KOLCDFICSA-N 1 0 296.342 2.367 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921951038 642805973 /nfs/dbraw/zinc/80/59/73/642805973.db2.gz HKNAGFIZBNXAQJ-CABCVRRESA-N 1 0 288.391 2.016 20 10 CECDRO c1cc2c(cc1C[NH2+]CC1=CCOCC1)CCCO2 ZINC000922154639 642911674 /nfs/dbraw/zinc/91/16/74/642911674.db2.gz PEQGNMZOPAEHLZ-UHFFFAOYSA-N 1 0 259.349 2.448 20 10 CECDRO CN(Cc1ccccc1O)[C@@H](C(N)=O)c1ccccc1 ZINC000109770590 642925023 /nfs/dbraw/zinc/92/50/23/642925023.db2.gz VNQUJVKGSGUZQP-OAHLLOKOSA-N 1 0 270.332 2.051 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](O)C(F)(F)F ZINC000922310710 643017981 /nfs/dbraw/zinc/01/79/81/643017981.db2.gz ZPAVCBPBPSBJJA-RNCFNFMXSA-N 1 0 289.297 2.413 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000877605297 650810346 /nfs/dbraw/zinc/81/03/46/650810346.db2.gz YYEUUUZLFCUUBW-OAHLLOKOSA-N 1 0 279.405 2.409 20 10 CECDRO C[C@@H]([NH2+]CC1(CO)CCC1)c1cc(F)ccc1O ZINC000186547668 643145277 /nfs/dbraw/zinc/14/52/77/643145277.db2.gz ZBCCZGOZJKHBCX-SNVBAGLBSA-N 1 0 253.317 2.345 20 10 CECDRO C[C@H]([NH2+]CC1(CO)CCC1)c1cc(F)ccc1O ZINC000186547650 643145292 /nfs/dbraw/zinc/14/52/92/643145292.db2.gz ZBCCZGOZJKHBCX-JTQLQIEISA-N 1 0 253.317 2.345 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC(C)(C)CS(C)(=O)=O)cc1C ZINC000922742680 643241607 /nfs/dbraw/zinc/24/16/07/643241607.db2.gz JRQOXRRGEZAUIZ-UHFFFAOYSA-N 1 0 299.436 2.169 20 10 CECDRO OC1CCN(c2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC000877651638 650833949 /nfs/dbraw/zinc/83/39/49/650833949.db2.gz ZIBJCZAGISUZJD-GASCZTMLSA-N 1 0 272.392 2.099 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCOC2CCOCC2)cc1C ZINC000922928794 643459510 /nfs/dbraw/zinc/45/95/10/643459510.db2.gz AIRQHLFEJDLNLS-UHFFFAOYSA-N 1 0 279.380 2.294 20 10 CECDRO COC(=O)[C@@]1(C)C[N@H+](Cc2ccccc2O)C[C@@H]1C ZINC000877666807 650841697 /nfs/dbraw/zinc/84/16/97/650841697.db2.gz OBUDPJSUPKIBEY-NHYWBVRUSA-N 1 0 263.337 2.023 20 10 CECDRO CCOCCOCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000922942499 643466765 /nfs/dbraw/zinc/46/67/65/643466765.db2.gz YWNBTCDIXRGZNZ-UHFFFAOYSA-N 1 0 267.369 2.146 20 10 CECDRO COC(=O)[C@@]1(C)C[N@H+](Cc2ccc(C)cc2O)C[C@@H]1C ZINC000877667228 650841960 /nfs/dbraw/zinc/84/19/60/650841960.db2.gz USMJBYOFDVWOPW-LRDDRELGSA-N 1 0 277.364 2.332 20 10 CECDRO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](C)O)ccc1N(C)C ZINC000852558042 643471516 /nfs/dbraw/zinc/47/15/16/643471516.db2.gz FBWMDUBUGQGQPQ-XJKSGUPXSA-N 1 0 262.397 2.406 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](O)C12CCOCC2 ZINC000923021210 643514936 /nfs/dbraw/zinc/51/49/36/643514936.db2.gz RLFJPOFTIZYJKP-KBPBESRZSA-N 1 0 297.782 2.065 20 10 CECDRO Cc1cccc(C[NH2+]CCOCC(=O)OC(C)(C)C)c1O ZINC000877674777 650845403 /nfs/dbraw/zinc/84/54/03/650845403.db2.gz LTIGZDRQNCALGH-UHFFFAOYSA-N 1 0 295.379 2.149 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@]1(C)CO ZINC000852701880 643517748 /nfs/dbraw/zinc/51/77/48/643517748.db2.gz GPJNPSRCEIZMJC-XJKSGUPXSA-N 1 0 262.397 2.203 20 10 CECDRO CCN(C(=O)C=C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000852805234 643559852 /nfs/dbraw/zinc/55/98/52/643559852.db2.gz SXECVIXLVWUFOX-UHFFFAOYSA-N 1 0 262.328 2.488 20 10 CECDRO C[C@@H]1CN(C(=O)C=C2CC[NH2+]CC2)c2ccccc2O1 ZINC000852838919 643571193 /nfs/dbraw/zinc/57/11/93/643571193.db2.gz RZDVFQMPODPVFG-GFCCVEGCSA-N 1 0 272.348 2.110 20 10 CECDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCCCSc1nccs1 ZINC000852840170 643572728 /nfs/dbraw/zinc/57/27/28/643572728.db2.gz KVCXSNXZPJNCIV-SNVBAGLBSA-N 1 0 299.465 2.130 20 10 CECDRO O=C(C=C1CC[NH2+]CC1)N1C[C@H]2CCCN2c2ccccc21 ZINC000852860151 643580590 /nfs/dbraw/zinc/58/05/90/643580590.db2.gz LFEIZYBLLJYPPV-OAHLLOKOSA-N 1 0 297.402 2.312 20 10 CECDRO CC[C@@]1(O)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000877691722 650852668 /nfs/dbraw/zinc/85/26/68/650852668.db2.gz UMHBSZAHRJJEAG-CQSZACIVSA-N 1 0 253.317 2.268 20 10 CECDRO O[C@H](C[NH2+]CCCSc1nccs1)c1ccccn1 ZINC000853097668 643652322 /nfs/dbraw/zinc/65/23/22/643652322.db2.gz AMLQATXTIYVPIE-GFCCVEGCSA-N 1 0 295.433 2.344 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853100591 643654876 /nfs/dbraw/zinc/65/48/76/643654876.db2.gz IWFXFIUAUHUAQS-KRWDZBQOSA-N 1 0 285.391 2.279 20 10 CECDRO COC(=O)C[C@@](C)([NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000877707591 650863778 /nfs/dbraw/zinc/86/37/78/650863778.db2.gz XKHIVCWYVRXSAT-OAHLLOKOSA-N 1 0 281.327 2.353 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)cc1C ZINC000853568300 643815732 /nfs/dbraw/zinc/81/57/32/643815732.db2.gz ZMHYKVINDNDPJR-HOCLYGCPSA-N 1 0 261.365 2.477 20 10 CECDRO CCOc1ccc(O)c(CN2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000877743567 650888862 /nfs/dbraw/zinc/88/88/62/650888862.db2.gz LDWKPFMVCQBOQU-BBRMVZONSA-N 1 0 290.407 2.317 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c(O)c1 ZINC000877752726 650896315 /nfs/dbraw/zinc/89/63/15/650896315.db2.gz JDARHPRBHSDFIG-ZDUSSCGKSA-N 1 0 279.380 2.384 20 10 CECDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)cc(C(C)=O)c1O ZINC000839197970 644191542 /nfs/dbraw/zinc/19/15/42/644191542.db2.gz FAPDAPMIQOKRIM-KGLIPLIRSA-N 1 0 281.327 2.391 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1O ZINC000877755951 650899419 /nfs/dbraw/zinc/89/94/19/650899419.db2.gz URGYJYUCXKWVKR-UPJWGTAASA-N 1 0 297.420 2.399 20 10 CECDRO [O-]c1cc(F)c(Cl)cc1CN1CCSC[C@H]1CO ZINC000877780390 650907980 /nfs/dbraw/zinc/90/79/80/650907980.db2.gz OWZDNYCFRKLOIU-SECBINFHSA-N 1 0 291.775 2.094 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@@H]3C[C@H]3C)CC2)cc1 ZINC000754099995 644324316 /nfs/dbraw/zinc/32/43/16/644324316.db2.gz FNJORMYIRKMSEB-KGLIPLIRSA-N 1 0 260.381 2.473 20 10 CECDRO COc1cc(C)cc(CN2CC[C@H]([NH+]3CCCC3)C2)c1O ZINC000754726138 644420963 /nfs/dbraw/zinc/42/09/63/644420963.db2.gz CDAJFJYVNULTDM-HNNXBMFYSA-N 1 0 290.407 2.379 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2CCCOC[C@@H]2C)c1O ZINC000754742082 644423535 /nfs/dbraw/zinc/42/35/35/644423535.db2.gz WYXBFUSLFLMFMO-LBPRGKRZSA-N 1 0 265.353 2.320 20 10 CECDRO CCOC(=O)[C@H](C)C1C[NH+](Cc2cc(C)ccc2O)C1 ZINC000877829357 650924281 /nfs/dbraw/zinc/92/42/81/650924281.db2.gz RKLUIUXBPSCYND-GFCCVEGCSA-N 1 0 277.364 2.332 20 10 CECDRO CCOC(=O)[C@@H](C)C1C[NH+](Cc2cccc(C)c2O)C1 ZINC000877830503 650925763 /nfs/dbraw/zinc/92/57/63/650925763.db2.gz MDWZZKRFGTXXHO-LBPRGKRZSA-N 1 0 277.364 2.332 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H](CO)CC(F)(F)F)c(O)c1 ZINC000756993442 644717077 /nfs/dbraw/zinc/71/70/77/644717077.db2.gz AQGKRYQIJUEUJT-SNVBAGLBSA-N 1 0 293.285 2.194 20 10 CECDRO C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1CO ZINC000857061650 644805842 /nfs/dbraw/zinc/80/58/42/644805842.db2.gz SVEUIABNSKDXOG-WDEREUQCSA-N 1 0 269.772 2.496 20 10 CECDRO CN(C)c1ccc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000857230143 644861060 /nfs/dbraw/zinc/86/10/60/644861060.db2.gz ODJANBKOLXDTOA-GOEBONIOSA-N 1 0 259.397 2.066 20 10 CECDRO C[C@H](Cn1ccnc1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858093562 645059294 /nfs/dbraw/zinc/05/92/94/645059294.db2.gz BHOXURUHGYHBQT-LLVKDONJSA-N 1 0 294.349 2.406 20 10 CECDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000858331225 645121170 /nfs/dbraw/zinc/12/11/70/645121170.db2.gz SVIWBKIFQUHHFE-BETUJISGSA-N 1 0 266.360 2.406 20 10 CECDRO Cc1n[nH]cc1CN(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223883 645259484 /nfs/dbraw/zinc/25/94/84/645259484.db2.gz UBJLJMMCMOBBNJ-UHFFFAOYSA-N 1 0 288.395 2.295 20 10 CECDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)CCOC1 ZINC000763573558 645558341 /nfs/dbraw/zinc/55/83/41/645558341.db2.gz SVTGFMIJMXBODD-CJNGLKHVSA-N 1 0 279.380 2.465 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000764607007 645663627 /nfs/dbraw/zinc/66/36/27/645663627.db2.gz CQGVNVXPYXOIDD-UKRRQHHQSA-N 1 0 290.407 2.471 20 10 CECDRO CC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768437837 646122118 /nfs/dbraw/zinc/12/21/18/646122118.db2.gz KFQFIQULKVHQDS-CQSZACIVSA-N 1 0 263.337 2.050 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCCCO1 ZINC000769032779 646194517 /nfs/dbraw/zinc/19/45/17/646194517.db2.gz GCSACLRMEXTMKA-GFCCVEGCSA-N 1 0 265.353 2.402 20 10 CECDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)Cc1ccccc1O ZINC000769281468 646235735 /nfs/dbraw/zinc/23/57/35/646235735.db2.gz DJJBKWJCIIGVAH-STQMWFEESA-N 1 0 276.380 2.223 20 10 CECDRO COc1cccc(C[N@H+](CCO)CC(C)(C)C)c1O ZINC000769338594 646248212 /nfs/dbraw/zinc/24/82/12/646248212.db2.gz RBWMNZDCOJFGQF-UHFFFAOYSA-N 1 0 267.369 2.241 20 10 CECDRO CC[N@@H+]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769381418 646256208 /nfs/dbraw/zinc/25/62/08/646256208.db2.gz OFVKSWACXIMHOA-CYBMUJFWSA-N 1 0 279.403 2.418 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000769710560 646305180 /nfs/dbraw/zinc/30/51/80/646305180.db2.gz NCEJNOWWMOYAQI-MNOVXSKESA-N 1 0 251.326 2.058 20 10 CECDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000769935725 646336974 /nfs/dbraw/zinc/33/69/74/646336974.db2.gz PZVCAEINNFBMQK-IHVVCDCBSA-N 1 0 266.360 2.308 20 10 CECDRO C[C@H](O)CC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862246636 646378582 /nfs/dbraw/zinc/37/85/82/646378582.db2.gz LSQGBFMRPWCNEF-JTQLQIEISA-N 1 0 272.339 2.234 20 10 CECDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862308448 646399587 /nfs/dbraw/zinc/39/95/87/646399587.db2.gz ARXJEYNXINPZKO-GHMZBOCLSA-N 1 0 284.350 2.234 20 10 CECDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(O)cccc1Br ZINC000862339378 646404774 /nfs/dbraw/zinc/40/47/74/646404774.db2.gz RMUWHPROXCMYSU-BDAKNGLRSA-N 1 0 286.169 2.110 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1F ZINC000862418257 646451967 /nfs/dbraw/zinc/45/19/67/646451967.db2.gz HRLAVEHNGAMZQG-YPMHNXCESA-N 1 0 296.361 2.499 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)CC2(C)COC2)c1 ZINC000862477226 646473752 /nfs/dbraw/zinc/47/37/52/646473752.db2.gz ILHAYAKPGNANQW-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO Cc1ccc(O)c(CNC(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000862757075 646557984 /nfs/dbraw/zinc/55/79/84/646557984.db2.gz GUMBOIBTHPOISV-UHFFFAOYSA-N 1 0 299.374 2.238 20 10 CECDRO CCOCc1cc(CN[C@H]2CC[C@H](C)[NH2+]C2)ccc1OC ZINC000863485018 646740693 /nfs/dbraw/zinc/74/06/93/646740693.db2.gz RMAWKRICZOOXKB-BBRMVZONSA-N 1 0 292.423 2.462 20 10 CECDRO CCN(C)c1ccc(C[NH+]2CCC(NC(C)=O)CC2)cc1 ZINC000773756048 646773524 /nfs/dbraw/zinc/77/35/24/646773524.db2.gz QAZHKGRLBNZJIQ-UHFFFAOYSA-N 1 0 289.423 2.243 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CC(N)=O)C(C)(C)C)cc1 ZINC000773765400 646774246 /nfs/dbraw/zinc/77/42/46/646774246.db2.gz JBVIVULDWLSGJG-UHFFFAOYSA-N 1 0 277.412 2.229 20 10 CECDRO CCN(C)c1ccc(C[NH2+][C@H](C(N)=O)C(C)(C)C)cc1 ZINC000773781714 646775469 /nfs/dbraw/zinc/77/54/69/646775469.db2.gz JNYILAPEKUFXIZ-CQSZACIVSA-N 1 0 277.412 2.132 20 10 CECDRO Cc1cc(Br)c(O)c(CN(C)C[C@H](C)[NH3+])c1 ZINC000863651378 646777192 /nfs/dbraw/zinc/77/71/92/646777192.db2.gz 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292.427 2.188 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCN(C3CC3)C(=O)C2)cc1C ZINC001172011609 815263426 /nfs/dbraw/zinc/26/34/26/815263426.db2.gz IENDHLFYUJLEIU-AWEZNQCLSA-N 1 0 288.391 2.247 20 10 CECDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(Br)cc1O ZINC000701016559 809379635 /nfs/dbraw/zinc/37/96/35/809379635.db2.gz WISMKHWSZKGNOG-LBPRGKRZSA-N 1 0 288.185 2.405 20 10 CECDRO C[C@H](O)CCC[NH2+]Cc1ccc(Br)cc1O ZINC000701013147 809379783 /nfs/dbraw/zinc/37/97/83/809379783.db2.gz BJDCYMRJWSUCDA-VIFPVBQESA-N 1 0 288.185 2.405 20 10 CECDRO C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CC[NH+](C)C1 ZINC000703499995 809652562 /nfs/dbraw/zinc/65/25/62/809652562.db2.gz BCPRRKWTBKFCCV-SNVBAGLBSA-N 1 0 270.323 2.054 20 10 CECDRO C[N@@H+](Cc1ccc(F)c(F)c1[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000703483344 809653133 /nfs/dbraw/zinc/65/31/33/809653133.db2.gz QCKJDQCGCBOJRM-LLVKDONJSA-N 1 0 284.350 2.444 20 10 CECDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000706512657 809829043 /nfs/dbraw/zinc/82/90/43/809829043.db2.gz RRJRISPTJRNGBO-XYPYZODXSA-N 1 0 286.169 2.422 20 10 CECDRO CCOC[C@H]1C[N@H+](Cc2cccc(CC)c2O)CCO1 ZINC000706615213 809841988 /nfs/dbraw/zinc/84/19/88/809841988.db2.gz PACYIOFZSWYGGH-OAHLLOKOSA-N 1 0 279.380 2.192 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)CO1 ZINC000706835613 809856398 /nfs/dbraw/zinc/85/63/98/809856398.db2.gz CEMZIDMGYNCVSM-BDAKNGLRSA-N 1 0 286.169 2.422 20 10 CECDRO CC[C@@](C)(CO)[NH2+]Cc1c(O)cccc1Br ZINC000706883145 809863889 /nfs/dbraw/zinc/86/38/89/809863889.db2.gz FJNGLWMCAYFGTF-LBPRGKRZSA-N 1 0 288.185 2.405 20 10 CECDRO CC[C@@]1(C)COCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000708281831 809926204 /nfs/dbraw/zinc/92/62/04/809926204.db2.gz MOAAUQVSCBJQLL-HNNXBMFYSA-N 1 0 265.353 2.402 20 10 CECDRO [NH3+][C@H]1CCCCCN(Cc2cc(F)ccc2O)C1 ZINC000708996696 809940068 /nfs/dbraw/zinc/94/00/68/809940068.db2.gz ZTSDLASBRHPXCY-ZDUSSCGKSA-N 1 0 252.333 2.235 20 10 CECDRO CCc1cccc(C[N@H+](C)[C@H](C)C[S@](C)=O)c1O ZINC000709309432 809959952 /nfs/dbraw/zinc/95/99/52/809959952.db2.gz UXZMZKNDDCWIPR-ZMZPIMSZSA-N 1 0 269.410 2.153 20 10 CECDRO COC[C@H](CC[NH2+][C@H]1CCc2cccc(O)c21)OC ZINC000710600978 810001658 /nfs/dbraw/zinc/00/16/58/810001658.db2.gz GJDQVOMEHJCDQS-STQMWFEESA-N 1 0 265.353 2.021 20 10 CECDRO C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1O ZINC000723547438 811022351 /nfs/dbraw/zinc/02/23/51/811022351.db2.gz HBPHMDKIZBQWIP-WDEREUQCSA-N 1 0 280.343 2.050 20 10 CECDRO [NH3+]Cc1ncc(C2=CCN(c3ccccc3)CC2)cn1 ZINC001241355457 811067784 /nfs/dbraw/zinc/06/77/84/811067784.db2.gz QNVVTIFMSYVBSE-UHFFFAOYSA-N 1 0 266.348 2.229 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@](C)(O)CSC)c1O ZINC000691499942 811958953 /nfs/dbraw/zinc/95/89/53/811958953.db2.gz KTWGZRPDURBLPO-CQSZACIVSA-N 1 0 269.410 2.158 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](C)CC[S@](C)=O)c1O ZINC000691499884 811959323 /nfs/dbraw/zinc/95/93/23/811959323.db2.gz JQYOKBSQRSUODL-VOJFVSQTSA-N 1 0 269.410 2.201 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H](C)CCCO)c1O ZINC000691523007 812001580 /nfs/dbraw/zinc/00/15/80/812001580.db2.gz NOXAHXMDQQJOGU-LBPRGKRZSA-N 1 0 251.370 2.453 20 10 CECDRO CN(C)Cc1c(F)cc(N(C)C(C)(C)C[NH3+])cc1F ZINC001170060942 812018366 /nfs/dbraw/zinc/01/83/66/812018366.db2.gz YGNPYOUGDXFYFK-UHFFFAOYSA-N 1 0 271.355 2.200 20 10 CECDRO CC(C)OC(=O)CC[C@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172745585 815501226 /nfs/dbraw/zinc/50/12/26/815501226.db2.gz GCFUJYBIXALYQC-LBPRGKRZSA-N 1 0 295.379 2.350 20 10 CECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)c(O)c2)CCO1 ZINC001170178956 812326408 /nfs/dbraw/zinc/32/64/08/812326408.db2.gz RVHLZODEAIWGIS-NWDGAFQWSA-N 1 0 251.326 2.145 20 10 CECDRO CN(Cc1cc(Br)ccc1O)C1(C[NH3+])CCC1 ZINC000385161046 813128832 /nfs/dbraw/zinc/12/88/32/813128832.db2.gz KBHBPWFHZLLDNG-UHFFFAOYSA-N 1 0 299.212 2.468 20 10 CECDRO CCOc1cccc(CN(C)C2(C[NH3+])CCC2)c1O ZINC000385423007 813138909 /nfs/dbraw/zinc/13/89/09/813138909.db2.gz BNACDYAEUWJUFJ-UHFFFAOYSA-N 1 0 264.369 2.104 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2ccc(=O)[nH]c2)cc1 ZINC000392682483 813306435 /nfs/dbraw/zinc/30/64/35/813306435.db2.gz ALTOMOJJNVTGDA-UHFFFAOYSA-N 1 0 257.337 2.143 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(C)(C)O ZINC000394010605 813334479 /nfs/dbraw/zinc/33/44/79/813334479.db2.gz DBKKQBFZXVCOQT-MRXNPFEDSA-N 1 0 292.423 2.162 20 10 CECDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000394102439 813338323 /nfs/dbraw/zinc/33/83/23/813338323.db2.gz DOIRHXCDPOXOTG-AWEZNQCLSA-N 1 0 250.386 2.107 20 10 CECDRO Cc1ccc(C)n1-c1ccc(N[C@H]2C[NH2+]C[C@H]2CO)cc1 ZINC001170780280 813343516 /nfs/dbraw/zinc/34/35/16/813343516.db2.gz LXGDFLSUWVYAQF-YOEHRIQHSA-N 1 0 285.391 2.086 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCOC2)c1 ZINC000397117934 813601691 /nfs/dbraw/zinc/60/16/91/813601691.db2.gz JYCGYJHRZLWNEQ-XHDPSFHLSA-N 1 0 265.353 2.478 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCC2(O)CCC2)c1O ZINC000397661924 813631467 /nfs/dbraw/zinc/63/14/67/813631467.db2.gz JHZWQRSNUPLZSA-UHFFFAOYSA-N 1 0 285.771 2.449 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CCC1(O)CCC1 ZINC000397848635 813642662 /nfs/dbraw/zinc/64/26/62/813642662.db2.gz REPOSLPTHAGNES-UHFFFAOYSA-N 1 0 255.745 2.440 20 10 CECDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)O1 ZINC000398093076 813656826 /nfs/dbraw/zinc/65/68/26/813656826.db2.gz STZMSSKAQBVMHY-RHSMWYFYSA-N 1 0 290.407 2.180 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCCOC[C@H]2C)c1 ZINC000398962105 813689488 /nfs/dbraw/zinc/68/94/88/813689488.db2.gz ZXAVOKYOEMOLRK-LLVKDONJSA-N 1 0 251.326 2.012 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)c(O)c1 ZINC001144508972 814096722 /nfs/dbraw/zinc/09/67/22/814096722.db2.gz FZSGDCMBPXRSCD-LBPRGKRZSA-N 1 0 286.331 2.188 20 10 CECDRO C[N@@H+]1CCN(C(=O)Nc2ccc(N)cc2)CCC1(C)C ZINC000712627900 814758223 /nfs/dbraw/zinc/75/82/23/814758223.db2.gz WPALYLLRABUEHN-UHFFFAOYSA-N 1 0 276.384 2.217 20 10 CECDRO C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccccc1O ZINC000714383940 814903545 /nfs/dbraw/zinc/90/35/45/814903545.db2.gz XBBBYUWWSPJBDU-NEPJUHHUSA-N 1 0 283.393 2.010 20 10 CECDRO COC(=O)CCCC[C@H](C)[NH2+]Cc1cccc(O)c1O ZINC001173441302 815718369 /nfs/dbraw/zinc/71/83/69/815718369.db2.gz NKKWVZNLDDKOGO-NSHDSACASA-N 1 0 281.352 2.309 20 10 CECDRO CC[N@H+](CCCC(=O)OC)Cc1cccc(F)c1[O-] ZINC001138122608 815731495 /nfs/dbraw/zinc/73/14/95/815731495.db2.gz PUZHYGHFXNKJOR-UHFFFAOYSA-N 1 0 269.316 2.306 20 10 CECDRO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001138129542 815733380 /nfs/dbraw/zinc/73/33/80/815733380.db2.gz JPTPRQXDKNIRGV-DRZSPHRISA-N 1 0 293.338 2.305 20 10 CECDRO C[NH+]1CC2(CN(Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001138222048 815750473 /nfs/dbraw/zinc/75/04/73/815750473.db2.gz DLCDTJIIYBCFSE-UHFFFAOYSA-N 1 0 285.435 2.424 20 10 CECDRO COC(=O)CC1C[NH+](Cc2c(C)n(C)c3ccccc23)C1 ZINC001138257080 815756712 /nfs/dbraw/zinc/75/67/12/815756712.db2.gz VAGWAADISYTNSU-UHFFFAOYSA-N 1 0 286.375 2.482 20 10 CECDRO C[C@H]1CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139409101 816019950 /nfs/dbraw/zinc/01/99/50/816019950.db2.gz WJDWWGVMORDICO-AWEZNQCLSA-N 1 0 259.397 2.033 20 10 CECDRO CC(=O)N1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H]1C ZINC001139673241 816076527 /nfs/dbraw/zinc/07/65/27/816076527.db2.gz FECYUWFYQYBUGK-AWEZNQCLSA-N 1 0 289.423 2.114 20 10 CECDRO CCC1(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)COC1 ZINC001202963654 816095271 /nfs/dbraw/zinc/09/52/71/816095271.db2.gz CYGIYJRTIFFREQ-UHFFFAOYSA-N 1 0 277.364 2.273 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)CC[C@H]1O ZINC001140058097 816181576 /nfs/dbraw/zinc/18/15/76/816181576.db2.gz SNKPMVFNJVSFGP-ZWNOBZJWSA-N 1 0 253.317 2.124 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2CCc3c(cnn3C)C2)c1O ZINC001140184077 816205755 /nfs/dbraw/zinc/20/57/55/816205755.db2.gz LYKJTKYFMGEUAU-UHFFFAOYSA-N 1 0 271.364 2.301 20 10 CECDRO COCCC[NH+]1CCN(Cc2c(O)cccc2Cl)CC1 ZINC001140341223 816238052 /nfs/dbraw/zinc/23/80/52/816238052.db2.gz DXZOIALOMSVEKQ-UHFFFAOYSA-N 1 0 298.814 2.200 20 10 CECDRO COC(=O)CC[N@H+](C)Cc1c(O)cccc1Cl ZINC001140342212 816238490 /nfs/dbraw/zinc/23/84/90/816238490.db2.gz YCXJGRNOEGMSGY-UHFFFAOYSA-N 1 0 257.717 2.041 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2ccncn2)cc1 ZINC001140351569 816244487 /nfs/dbraw/zinc/24/44/87/816244487.db2.gz ZJGOQLKWSGRRBG-UHFFFAOYSA-N 1 0 256.353 2.175 20 10 CECDRO CC[NH+](CC)CCN(C)Cc1cc(C)ccc1O ZINC001140617310 816304937 /nfs/dbraw/zinc/30/49/37/816304937.db2.gz MKNHOXHCUFSRJX-UHFFFAOYSA-N 1 0 250.386 2.474 20 10 CECDRO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001140660582 816315117 /nfs/dbraw/zinc/31/51/17/816315117.db2.gz WYSHRIGENMTSHO-OKILXGFUSA-N 1 0 276.355 2.114 20 10 CECDRO CO[C@H]1CCC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140742372 816339326 /nfs/dbraw/zinc/33/93/26/816339326.db2.gz LWYPUYDJGJWYQE-LBPRGKRZSA-N 1 0 251.326 2.017 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c1O ZINC001140744474 816339563 /nfs/dbraw/zinc/33/95/63/816339563.db2.gz YNZLMOYFXSASGD-BZNIZROVSA-N 1 0 279.380 2.389 20 10 CECDRO Cc1c(O)ccc(C[N@H+](C)C[C@H]2CCCCO2)c1O ZINC001140745290 816342128 /nfs/dbraw/zinc/34/21/28/816342128.db2.gz DDCIITROXUVSOT-CYBMUJFWSA-N 1 0 265.353 2.407 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](CC)C2COC2)c(O)c1 ZINC001140856334 816382770 /nfs/dbraw/zinc/38/27/70/816382770.db2.gz XYEARUJSKGDCHM-UHFFFAOYSA-N 1 0 278.396 2.459 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@H]2C)c(O)c1 ZINC001140850699 816383536 /nfs/dbraw/zinc/38/35/36/816383536.db2.gz RGMIVTOTLANXBN-CYBMUJFWSA-N 1 0 278.396 2.459 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001140850999 816383571 /nfs/dbraw/zinc/38/35/71/816383571.db2.gz XVYZZHCMUUPWTE-LSDHHAIUSA-N 1 0 296.386 2.143 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H]2COC)c(O)c1 ZINC001140856438 816383841 /nfs/dbraw/zinc/38/38/41/816383841.db2.gz KDMRLKJWMFYJGB-OAHLLOKOSA-N 1 0 278.396 2.459 20 10 CECDRO Cc1ccc(C[NH+]2CCC(n3cnnc3)CC2)c(O)c1 ZINC001140951132 816423251 /nfs/dbraw/zinc/42/32/51/816423251.db2.gz ZYBPUKWLEPZFCW-UHFFFAOYSA-N 1 0 272.352 2.129 20 10 CECDRO COc1cc(O)c(C[N@H+](CCCO)C(C)C)c(OC)c1 ZINC001141028122 816449548 /nfs/dbraw/zinc/44/95/48/816449548.db2.gz BYHWCGBHYSWKBK-UHFFFAOYSA-N 1 0 283.368 2.002 20 10 CECDRO COc1cc(O)c(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c(OC)c1 ZINC001141032398 816453139 /nfs/dbraw/zinc/45/31/39/816453139.db2.gz ANCNBGSBOKHKMZ-RYUDHWBXSA-N 1 0 295.379 2.409 20 10 CECDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141074736 816470810 /nfs/dbraw/zinc/47/08/10/816470810.db2.gz SHHVYMYHLYPWIX-DYVFJYSZSA-N 1 0 286.419 2.341 20 10 CECDRO CC[NH+](CC)CCN(C)Cc1ccc2c(c1)OCCN2C ZINC001141139549 816484032 /nfs/dbraw/zinc/48/40/32/816484032.db2.gz WYFWQHIAKZWHJR-UHFFFAOYSA-N 1 0 291.439 2.289 20 10 CECDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001141159225 816489837 /nfs/dbraw/zinc/48/98/37/816489837.db2.gz COUNXDCXQMSVRV-AWEZNQCLSA-N 1 0 271.320 2.225 20 10 CECDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141160794 816492417 /nfs/dbraw/zinc/49/24/17/816492417.db2.gz IYFGIVLFKBGYIF-CYBMUJFWSA-N 1 0 264.369 2.014 20 10 CECDRO CCOc1ccc(C[NH+]2CC(C)(COC)C2)c(O)c1 ZINC000839145700 816563539 /nfs/dbraw/zinc/56/35/39/816563539.db2.gz RRDITGASVHCVPW-UHFFFAOYSA-N 1 0 265.353 2.259 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CCCO1 ZINC001142508830 816676899 /nfs/dbraw/zinc/67/68/99/816676899.db2.gz NCFCVVATAHHWAZ-SECBINFHSA-N 1 0 257.280 2.281 20 10 CECDRO O=C(CC[NH+]1CCCCC1)N1CCc2cccc(O)c2C1 ZINC001142918347 816756737 /nfs/dbraw/zinc/75/67/37/816756737.db2.gz AHKQTBYUQUALDE-UHFFFAOYSA-N 1 0 288.391 2.153 20 10 CECDRO COc1ccc(C[NH2+][C@@H](C)CC[S@](C)=O)cc1C ZINC000125440391 365675782 /nfs/dbraw/zinc/67/57/82/365675782.db2.gz KJKXJVQYPUQIOI-KPZWWZAWSA-N 1 0 269.410 2.250 20 10 CECDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000038013799 361981878 /nfs/dbraw/zinc/98/18/78/361981878.db2.gz WBNQLECLHJQAIT-VXGBXAGGSA-N 1 0 264.369 2.348 20 10 CECDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000092971142 344208806 /nfs/dbraw/zinc/20/88/06/344208806.db2.gz QXEVBMPBHNAJEH-CJNGLKHVSA-N 1 0 262.397 2.488 20 10 CECDRO CCOc1ccc(O)c(C[NH+]2CCC([C@H](C)O)CC2)c1 ZINC000092970727 344209047 /nfs/dbraw/zinc/20/90/47/344209047.db2.gz BVTPPLOHSJYWIY-LBPRGKRZSA-N 1 0 279.380 2.384 20 10 CECDRO COc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1O ZINC000093482922 344225401 /nfs/dbraw/zinc/22/54/01/344225401.db2.gz NTZMHZATWDNPCR-YPMHNXCESA-N 1 0 265.353 2.136 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000092764802 344203105 /nfs/dbraw/zinc/20/31/05/344203105.db2.gz UQOBDTLNNCKDOU-HNNXBMFYSA-N 1 0 262.397 2.347 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H](CCO)C(C)(C)C)c1 ZINC000231073218 344574348 /nfs/dbraw/zinc/57/43/48/344574348.db2.gz NEGOJULONZPKGB-AWEZNQCLSA-N 1 0 267.369 2.288 20 10 CECDRO Cc1nnsc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297424944 282373526 /nfs/dbraw/zinc/37/35/26/282373526.db2.gz UXJTVGGXRBGMJP-SNVBAGLBSA-N 1 0 261.350 2.329 20 10 CECDRO Oc1ccccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000133877846 366264912 /nfs/dbraw/zinc/26/49/12/366264912.db2.gz DVUSJPLSBVCRAO-UHFFFAOYSA-N 1 0 260.381 2.452 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCCO[C@@H](C)C2)c1O ZINC000134159215 366292851 /nfs/dbraw/zinc/29/28/51/366292851.db2.gz FLNNXAHQNAQPFG-LBPRGKRZSA-N 1 0 265.353 2.402 20 10 CECDRO COc1ccc(O)c(C[NH2+]Cc2c(C)nn(C)c2C)c1 ZINC000078749256 363552955 /nfs/dbraw/zinc/55/29/55/363552955.db2.gz MGRLTCVMTIVDIO-UHFFFAOYSA-N 1 0 275.352 2.041 20 10 CECDRO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccccc1O ZINC000020120631 361579813 /nfs/dbraw/zinc/57/98/13/361579813.db2.gz POWRSMWVUPNNKJ-CYBMUJFWSA-N 1 0 278.396 2.154 20 10 CECDRO COc1cccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1O ZINC000156080227 366827422 /nfs/dbraw/zinc/82/74/22/366827422.db2.gz IQDIUBDCUUDTQD-CQSZACIVSA-N 1 0 276.380 2.071 20 10 CECDRO CN(C)c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000092756122 364104537 /nfs/dbraw/zinc/10/45/37/364104537.db2.gz HKWRQUBAWSLPHN-QGZVFWFLSA-N 1 0 273.424 2.423 20 10 CECDRO Oc1ccccc1CN1CCC([NH+]2CCCC2)CC1 ZINC000179556262 368341867 /nfs/dbraw/zinc/34/18/67/368341867.db2.gz QKJWOFAUCVWBOT-UHFFFAOYSA-N 1 0 260.381 2.452 20 10 CECDRO COC(=O)[C@@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000179661135 368346799 /nfs/dbraw/zinc/34/67/99/368346799.db2.gz BSPYDBYYVPSOMT-NSHDSACASA-N 1 0 269.728 2.183 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC)c1O ZINC000179891222 368357341 /nfs/dbraw/zinc/35/73/41/368357341.db2.gz SMQGFBAAOGQFCL-CYBMUJFWSA-N 1 0 293.363 2.318 20 10 CECDRO Oc1ccc(F)cc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000179913641 368358760 /nfs/dbraw/zinc/35/87/60/368358760.db2.gz YMNAKDYKHODXNX-FUNVUKJBSA-N 1 0 251.301 2.019 20 10 CECDRO CCN(C)C(=O)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000185188292 368763300 /nfs/dbraw/zinc/76/33/00/368763300.db2.gz XZSXMXFNEUXHLT-UHFFFAOYSA-N 1 0 289.423 2.245 20 10 CECDRO Cc1noc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)n1 ZINC000185972724 368896470 /nfs/dbraw/zinc/89/64/70/368896470.db2.gz WXBUDZUZNLRNQL-QMMMGPOBSA-N 1 0 265.288 2.116 20 10 CECDRO OCC[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccco1 ZINC000187528286 369172468 /nfs/dbraw/zinc/17/24/68/369172468.db2.gz UFTYXENGSRJBPU-LBPRGKRZSA-N 1 0 265.284 2.338 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c(O)c1 ZINC000189346638 369503394 /nfs/dbraw/zinc/50/33/94/369503394.db2.gz YXXVVGSRVMLFET-HUUCEWRRSA-N 1 0 279.380 2.430 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246477615 370966768 /nfs/dbraw/zinc/96/67/68/370966768.db2.gz OSMDVLATOFAECT-UKRRQHHQSA-N 1 0 279.405 2.407 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273570620 296145864 /nfs/dbraw/zinc/14/58/64/296145864.db2.gz KNGITJUFLHKYAE-WDEREUQCSA-N 1 0 281.356 2.291 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1O ZINC000189951056 369581975 /nfs/dbraw/zinc/58/19/75/369581975.db2.gz PJGPTFHBFWIAQV-YPMHNXCESA-N 1 0 265.353 2.042 20 10 CECDRO CCc1cccc2c1N(C(=O)C1=CC[C@H]([NH3+])C1)CC2 ZINC000637965491 370202743 /nfs/dbraw/zinc/20/27/43/370202743.db2.gz SJNMVGVXSVJCHN-AWEZNQCLSA-N 1 0 256.349 2.186 20 10 CECDRO OCCOCCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000227332114 370366012 /nfs/dbraw/zinc/36/60/12/370366012.db2.gz NUGXBYPHKAYLDX-UHFFFAOYSA-N 1 0 292.423 2.166 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3OCCC[C@H]3C1)OCO2 ZINC000247052913 371056516 /nfs/dbraw/zinc/05/65/16/371056516.db2.gz UIPHSDPSGPAAGP-SMDDNHRTSA-N 1 0 291.347 2.122 20 10 CECDRO Cc1cccc(CN2CC[NH+]([C@H]3CCSC3)CC2)c1O ZINC000362046136 372185804 /nfs/dbraw/zinc/18/58/04/372185804.db2.gz NEWIIFQORUAVPF-HNNXBMFYSA-N 1 0 292.448 2.324 20 10 CECDRO CC[N@H+](Cc1ccc(N(C)C)cc1)CC(C)(C)O ZINC000269540440 372483523 /nfs/dbraw/zinc/48/35/23/372483523.db2.gz VCBAVPCZNFLXAQ-UHFFFAOYSA-N 1 0 250.386 2.345 20 10 CECDRO CC[N@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000271020379 373069072 /nfs/dbraw/zinc/06/90/72/373069072.db2.gz TVTBEPILKUQRSR-UHFFFAOYSA-N 1 0 262.397 2.491 20 10 CECDRO NC(=O)C[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271189918 373170957 /nfs/dbraw/zinc/17/09/57/373170957.db2.gz PHXCAFRXPKTTSQ-SNVBAGLBSA-N 1 0 282.771 2.133 20 10 CECDRO Oc1ccccc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000271261153 373184837 /nfs/dbraw/zinc/18/48/37/373184837.db2.gz IPYIJNQLLIDNJM-JQWIXIFHSA-N 1 0 275.270 2.280 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H](C)C2)c1 ZINC000271315502 373186741 /nfs/dbraw/zinc/18/67/41/373186741.db2.gz XLSMQLXVARTJOZ-AAEUAGOBSA-N 1 0 265.353 2.448 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CCO[C@H](C)C2)cc1OC ZINC000271794265 373201443 /nfs/dbraw/zinc/20/14/43/373201443.db2.gz HQRSXLQFHNRNSX-PWSUYJOCSA-N 1 0 281.352 2.067 20 10 CECDRO C[N@H+](Cc1ccccn1)Cc1cc2c(cc1O)OCO2 ZINC000273406522 373754539 /nfs/dbraw/zinc/75/45/39/373754539.db2.gz NLRIECLTRXUWAE-UHFFFAOYSA-N 1 0 272.304 2.148 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cncn2)c(O)c1C ZINC000273549018 373762054 /nfs/dbraw/zinc/76/20/54/373762054.db2.gz FOFRBQRRQREMBV-DGCLKSJQSA-N 1 0 274.368 2.340 20 10 CECDRO Cc1cccc(C[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c1O ZINC000371425128 373877334 /nfs/dbraw/zinc/87/73/34/373877334.db2.gz RCQSJWPMAGRXDX-SNPRPXQTSA-N 1 0 288.391 2.319 20 10 CECDRO CCOC(=O)N1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000274592632 373975287 /nfs/dbraw/zinc/97/52/87/373975287.db2.gz NROYETQXYBKBGN-JTQLQIEISA-N 1 0 298.770 2.366 20 10 CECDRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000374674047 374627110 /nfs/dbraw/zinc/62/71/10/374627110.db2.gz AHRYVVHMKYSFJA-XJKSGUPXSA-N 1 0 275.348 2.167 20 10 CECDRO CC[C@@H]([NH2+][C@H](CO)CCOC)c1ccc(N(C)C)cc1 ZINC000281614517 375389922 /nfs/dbraw/zinc/38/99/22/375389922.db2.gz NHVGZGCTHAPXMN-GOEBONIOSA-N 1 0 280.412 2.191 20 10 CECDRO Cc1cc(O)c(C[NH2+]CC2([S@](C)=O)CC2)cc1C ZINC000282344927 375463040 /nfs/dbraw/zinc/46/30/40/375463040.db2.gz MLARUGWDJCKZSK-SFHVURJKSA-N 1 0 267.394 2.010 20 10 CECDRO CCCC[N@@H+](Cc1ccccc1O)CC1OCCO1 ZINC000282456406 375489942 /nfs/dbraw/zinc/48/99/42/375489942.db2.gz MGHUQHFTOKXSKL-UHFFFAOYSA-N 1 0 265.353 2.367 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c(O)c1 ZINC000284142258 375817075 /nfs/dbraw/zinc/81/70/75/375817075.db2.gz OUXQRIKYEVZOCE-STQMWFEESA-N 1 0 276.380 2.280 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c(O)c1 ZINC000285447657 375838925 /nfs/dbraw/zinc/83/89/25/375838925.db2.gz ZHXVNIJRWSBLMV-WOSRLPQWSA-N 1 0 279.380 2.200 20 10 CECDRO Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)ccc1N(C)C ZINC000294773585 378018745 /nfs/dbraw/zinc/01/87/45/378018745.db2.gz ZJSFYRZVJISFHY-HIFRSBDPSA-N 1 0 262.397 2.264 20 10 CECDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)[C@@H](O)C(F)F ZINC000295128602 378042871 /nfs/dbraw/zinc/04/28/71/378042871.db2.gz XROMJWSRHATHKA-CMPLNLGQSA-N 1 0 259.296 2.195 20 10 CECDRO COC[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCO1 ZINC000295308970 378098068 /nfs/dbraw/zinc/09/80/68/378098068.db2.gz KLPOJLKWQCWFGZ-SNVBAGLBSA-N 1 0 289.734 2.032 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)C2([NH3+])CCC2)cc1 ZINC000296119941 378423132 /nfs/dbraw/zinc/42/31/32/378423132.db2.gz SZIBIGZCODMKCG-UHFFFAOYSA-N 1 0 275.396 2.030 20 10 CECDRO COc1cccc(C[N@H+](CC(C)(C)O)C2CC2)c1O ZINC000189941213 295295125 /nfs/dbraw/zinc/29/51/25/295295125.db2.gz WGQDZTOZMKYKIQ-UHFFFAOYSA-N 1 0 265.353 2.136 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)[C@H](O)C(F)F ZINC000296551399 378571356 /nfs/dbraw/zinc/57/13/56/378571356.db2.gz RNSDKRSQFNXRKB-PEXQALLHSA-N 1 0 259.296 2.447 20 10 CECDRO COCCC1(C)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000297286293 378681020 /nfs/dbraw/zinc/68/10/20/378681020.db2.gz AOMWJGDAVZZHKK-UHFFFAOYSA-N 1 0 253.317 2.390 20 10 CECDRO Cc1cc(C[NH2+][C@](C)(C(N)=O)C(C)C)ccc1N(C)C ZINC000297829222 378689656 /nfs/dbraw/zinc/68/96/56/378689656.db2.gz ZOHLAZKKXRQNNQ-INIZCTEOSA-N 1 0 277.412 2.051 20 10 CECDRO CC(C)[C@H](C)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297744386 378689897 /nfs/dbraw/zinc/68/98/97/378689897.db2.gz DGRFOMRHCGCJNE-AWEZNQCLSA-N 1 0 291.439 2.345 20 10 CECDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1ccccc1O ZINC000299467894 379008358 /nfs/dbraw/zinc/00/83/58/379008358.db2.gz BYCWOZRMOJUODM-CYBMUJFWSA-N 1 0 291.395 2.066 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)c(O)c1 ZINC000527956745 379856805 /nfs/dbraw/zinc/85/68/05/379856805.db2.gz PMJBQZPGRMVPGS-CFVMTHIKSA-N 1 0 279.380 2.200 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+]CC12CC(C1)CO2 ZINC000529661797 380182283 /nfs/dbraw/zinc/18/22/83/380182283.db2.gz HOKYJOOLRJYXEP-UHFFFAOYSA-N 1 0 298.180 2.423 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]CCN1CCCC1 ZINC000227434925 394472313 /nfs/dbraw/zinc/47/23/13/394472313.db2.gz IDGUEEWNNGUDSE-UHFFFAOYSA-N 1 0 299.212 2.340 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000093612117 394668579 /nfs/dbraw/zinc/66/85/79/394668579.db2.gz LYLKOBVKXLAHRB-GFCCVEGCSA-N 1 0 275.270 2.200 20 10 CECDRO CCCN(CCC)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000109773466 394735041 /nfs/dbraw/zinc/73/50/41/394735041.db2.gz CTWBNYUBNOOPET-UHFFFAOYSA-N 1 0 278.396 2.473 20 10 CECDRO CC(=O)Nc1nc(CN(C)Cc2ccccc2O)cs1 ZINC000109770992 394735066 /nfs/dbraw/zinc/73/50/66/394735066.db2.gz UCVHISAUNLYBCQ-UHFFFAOYSA-N 1 0 291.376 2.439 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@]2(C)CCOC2)c(O)c1 ZINC000120150767 394775968 /nfs/dbraw/zinc/77/59/68/394775968.db2.gz YHPZWCMYYGFZAB-HNNXBMFYSA-N 1 0 265.353 2.450 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@H]1CSCCS1)OCO2 ZINC000125228103 394842863 /nfs/dbraw/zinc/84/28/63/394842863.db2.gz BQALFBQRSMMLBP-JTQLQIEISA-N 1 0 299.417 2.059 20 10 CECDRO Cc1cccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1O ZINC000362241839 394850791 /nfs/dbraw/zinc/85/07/91/394850791.db2.gz ZKLCOCOLUFBLDF-HNNXBMFYSA-N 1 0 298.390 2.249 20 10 CECDRO CCCOc1ccc(C[N@@H+](CC(N)=O)CC(C)C)c(O)c1 ZINC000132907436 394939384 /nfs/dbraw/zinc/93/93/84/394939384.db2.gz QQZIGKJHNGMOJN-UHFFFAOYSA-N 1 0 294.395 2.124 20 10 CECDRO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1O ZINC000374282962 395078865 /nfs/dbraw/zinc/07/88/65/395078865.db2.gz KCOIFDHMTJSNGG-BNOWGMLFSA-N 1 0 274.364 2.011 20 10 CECDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1(C)C ZINC000174137510 395120685 /nfs/dbraw/zinc/12/06/85/395120685.db2.gz ZUGLWJSAXKVUPF-HOCLYGCPSA-N 1 0 293.363 2.414 20 10 CECDRO Cc1cccc(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)c1O ZINC000375929785 395104579 /nfs/dbraw/zinc/10/45/79/395104579.db2.gz DJIQVVYAFOMNHW-SGTLLEGYSA-N 1 0 267.394 2.044 20 10 CECDRO C[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[S@@](=O)C1 ZINC000375950184 395105767 /nfs/dbraw/zinc/10/57/67/395105767.db2.gz ZWZBSUYJWDCDMM-MLCYQJTMSA-N 1 0 287.812 2.246 20 10 CECDRO CN(C)c1ccc(C[NH+]2CC([C@H]3CCOC3)C2)cc1 ZINC000376020726 395106836 /nfs/dbraw/zinc/10/68/36/395106836.db2.gz HMUYWBIECODUMY-AWEZNQCLSA-N 1 0 260.381 2.221 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000178711685 395172819 /nfs/dbraw/zinc/17/28/19/395172819.db2.gz LWBUNWZDHPBQRW-GJZGRUSLSA-N 1 0 289.423 2.276 20 10 CECDRO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H](C)CO ZINC000293435051 395234023 /nfs/dbraw/zinc/23/40/23/395234023.db2.gz BOBLSDMLQKHTSZ-CYBMUJFWSA-N 1 0 250.386 2.264 20 10 CECDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000183565293 395259370 /nfs/dbraw/zinc/25/93/70/395259370.db2.gz NAKMHBUUNRDXIB-NWDGAFQWSA-N 1 0 262.353 2.054 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1O ZINC000183613952 395261074 /nfs/dbraw/zinc/26/10/74/395261074.db2.gz HFQRZEQSBQQIEK-NEPJUHHUSA-N 1 0 276.380 2.442 20 10 CECDRO CN(CC[NH2+][C@H]1CCc2cccc(O)c21)CC(F)(F)F ZINC000297911657 395349799 /nfs/dbraw/zinc/34/97/99/395349799.db2.gz WRBBAELSPQDMRJ-NSHDSACASA-N 1 0 288.313 2.463 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](CC(C)C)N(C)C)c1 ZINC000020201876 171065956 /nfs/dbraw/zinc/06/59/56/171065956.db2.gz QNGZOFBMNMRIQQ-CQSZACIVSA-N 1 0 280.412 2.467 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)[C@H]2CCCO2)c1O ZINC000020206684 171071021 /nfs/dbraw/zinc/07/10/21/171071021.db2.gz BNZNDJYMDCJRCN-ZYHUDNBSSA-N 1 0 251.326 2.058 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1 ZINC000035628756 172308191 /nfs/dbraw/zinc/30/81/91/172308191.db2.gz AAZGADVOPWPRPZ-AWEZNQCLSA-N 1 0 292.423 2.462 20 10 CECDRO COC(=O)CCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000037416900 173193797 /nfs/dbraw/zinc/19/37/97/173193797.db2.gz IBSPRCDUNNOARY-SNVBAGLBSA-N 1 0 267.325 2.005 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCCO[C@H]1CCOC1 ZINC000153031614 261072446 /nfs/dbraw/zinc/07/24/46/261072446.db2.gz CUGOIKUPLQOODL-NSHDSACASA-N 1 0 285.771 2.331 20 10 CECDRO Oc1ccc(F)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000300415980 261199646 /nfs/dbraw/zinc/19/96/46/261199646.db2.gz BBPCVFZUAFWMDT-AWEZNQCLSA-N 1 0 264.344 2.201 20 10 CECDRO CCCNC(=O)C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184881865 262032601 /nfs/dbraw/zinc/03/26/01/262032601.db2.gz KGLFZWVBQMHLSE-LBPRGKRZSA-N 1 0 290.407 2.448 20 10 CECDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1cc(Cl)ccc1O ZINC000184982102 262035968 /nfs/dbraw/zinc/03/59/68/262035968.db2.gz MCLWOCXWDZAYEF-CABZTGNLSA-N 1 0 282.771 2.365 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCOC2=O)c1 ZINC000185332627 262050808 /nfs/dbraw/zinc/05/08/08/262050808.db2.gz HZFBSQNFHJGWHY-GFCCVEGCSA-N 1 0 278.352 2.194 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c1 ZINC000185504724 262057181 /nfs/dbraw/zinc/05/71/81/262057181.db2.gz GQSGABZFUCWGEE-HUUCEWRRSA-N 1 0 292.423 2.320 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1C ZINC000363264241 267082548 /nfs/dbraw/zinc/08/25/48/267082548.db2.gz KHQJIEBPCGZFHH-BPLDGKMQSA-N 1 0 288.391 2.108 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCOCC[C@@H]2C)c1 ZINC000367703892 267111149 /nfs/dbraw/zinc/11/11/49/267111149.db2.gz JPDBMLLOIDVVGF-LBPRGKRZSA-N 1 0 265.353 2.402 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 ZINC000368331503 267163178 /nfs/dbraw/zinc/16/31/78/267163178.db2.gz KALPXDXSFBDPDC-QVHKTLOISA-N 1 0 288.391 2.361 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC1(C)C ZINC000368593355 267190101 /nfs/dbraw/zinc/19/01/01/267190101.db2.gz SNMZDGDYIZAIJR-LBPRGKRZSA-N 1 0 281.327 2.162 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)[C@]12CCCO2 ZINC000368698220 267198830 /nfs/dbraw/zinc/19/88/30/267198830.db2.gz JUSAUTXFDFNCHY-ARFHVFGLSA-N 1 0 295.354 2.348 20 10 CECDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)cc1F ZINC000369953376 267278261 /nfs/dbraw/zinc/27/82/61/267278261.db2.gz AEWWXMGRCAIXNA-AWEZNQCLSA-N 1 0 293.386 2.040 20 10 CECDRO CC[C@H](O)C[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000371212393 267372930 /nfs/dbraw/zinc/37/29/30/267372930.db2.gz JXBKSPOVHWSTTE-INIZCTEOSA-N 1 0 292.423 2.367 20 10 CECDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000049095648 277249671 /nfs/dbraw/zinc/24/96/71/277249671.db2.gz XASOSKGQVRXRFS-MNOVXSKESA-N 1 0 272.348 2.331 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCOC1 ZINC000266189852 279491466 /nfs/dbraw/zinc/49/14/66/279491466.db2.gz YDSFSJJJVOPHJC-AAEUAGOBSA-N 1 0 266.360 2.406 20 10 CECDRO Cc1cnn(C)c1C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000285447230 281685066 /nfs/dbraw/zinc/68/50/66/281685066.db2.gz LWTFBHJROGFQFU-UHFFFAOYSA-N 1 0 276.359 2.223 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cc(Cl)ccc1O ZINC000527951506 297766769 /nfs/dbraw/zinc/76/67/69/297766769.db2.gz BSVLTYWCFHDANH-FZZIBODNSA-N 1 0 285.771 2.236 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@]2(CO)COc3ccccc3C2)c1 ZINC000527768498 313201145 /nfs/dbraw/zinc/20/11/45/313201145.db2.gz BLQZWBKAWUEROI-GOSISDBHSA-N 1 0 299.370 2.156 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]CCC(=O)N(C)C)cc1 ZINC000178293099 327793600 /nfs/dbraw/zinc/79/36/00/327793600.db2.gz JQVBVBZUKRTLKB-ZDUSSCGKSA-N 1 0 277.412 2.272 20 10 CECDRO CC[C@H]([NH2+]Cc1ccccc1O)[C@@H](O)C(F)(F)F ZINC000270973764 328194211 /nfs/dbraw/zinc/19/42/11/328194211.db2.gz KHRBLDQIFGBKJI-GXSJLCMTSA-N 1 0 263.259 2.184 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)[C@@H]1SC ZINC000298198594 326900452 /nfs/dbraw/zinc/90/04/52/326900452.db2.gz XQTMMHFBWKJNCI-LNSITVRQSA-N 1 0 297.420 2.399 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](O)[C@H]2C)c1O ZINC000296260175 327093760 /nfs/dbraw/zinc/09/37/60/327093760.db2.gz OBMZPLKYTFYXFN-YMTOWFKASA-N 1 0 281.327 2.079 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccccc1O ZINC000183618715 329251341 /nfs/dbraw/zinc/25/13/41/329251341.db2.gz VPSKQOYSNMYJQB-CMPLNLGQSA-N 1 0 257.337 2.323 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CC2COC2)c2c1c(F)ccc2O ZINC000528027496 330305170 /nfs/dbraw/zinc/30/51/70/330305170.db2.gz UHEQOVOCMINOIV-KWQFWETISA-N 1 0 251.301 2.316 20 10 CECDRO CC(C)[N@H+](C)CCCNCc1ccc2c(c1)CCO2 ZINC000226180762 333253378 /nfs/dbraw/zinc/25/33/78/333253378.db2.gz UJJMWMSLLBNUJO-UHFFFAOYSA-N 1 0 262.397 2.441 20 10 CECDRO Cc1c([C@H](C)[NH2+]Cc2cc(F)ccc2O)cnn1C ZINC000226584578 333265588 /nfs/dbraw/zinc/26/55/88/333265588.db2.gz FXXGIUWLVYKBKW-VIFPVBQESA-N 1 0 263.316 2.424 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000237758671 333381548 /nfs/dbraw/zinc/38/15/48/333381548.db2.gz QTWBZJLDGGXFIG-UHFFFAOYSA-N 1 0 298.390 2.249 20 10 CECDRO Cc1ccc(O)c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000245936159 334224776 /nfs/dbraw/zinc/22/47/76/334224776.db2.gz QCMPRORBXMTPCZ-HIFRSBDPSA-N 1 0 260.381 2.369 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000252811657 334394384 /nfs/dbraw/zinc/39/43/84/334394384.db2.gz OTCLOTOGXUKXHS-SRVKXCTJSA-N 1 0 265.353 2.355 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1O ZINC000295995771 334904837 /nfs/dbraw/zinc/90/48/37/334904837.db2.gz KNWPXLHBDMUFOW-JBLDHEPKSA-N 1 0 251.326 2.056 20 10 CECDRO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000102675116 520474145 /nfs/dbraw/zinc/47/41/45/520474145.db2.gz XCWMXUPPXRHRKH-UHFFFAOYSA-N 1 0 277.412 2.053 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000093645158 500767219 /nfs/dbraw/zinc/76/72/19/500767219.db2.gz QENJBRLUKCFZNA-INIZCTEOSA-N 1 0 260.381 2.363 20 10 CECDRO CCN(C)C(=O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299376197 520147240 /nfs/dbraw/zinc/14/72/40/520147240.db2.gz HYTXKCIBOLEUDD-UHFFFAOYSA-N 1 0 289.423 2.195 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCCNC2=O)cc1 ZINC000036976603 520910271 /nfs/dbraw/zinc/91/02/71/520910271.db2.gz NVPOBXIHFFCKMB-MRXNPFEDSA-N 1 0 289.423 2.291 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c1 ZINC000289376626 521144744 /nfs/dbraw/zinc/14/47/44/521144744.db2.gz MCKWBGGFAWECEB-XBXGTLAGSA-N 1 0 265.353 2.400 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@@H](COC)[C@@H]2CCCO2)c1 ZINC000278778412 521155937 /nfs/dbraw/zinc/15/59/37/521155937.db2.gz YVZORQQMIOGKKA-HOCLYGCPSA-N 1 0 295.379 2.075 20 10 CECDRO CCOc1cccc(C[NH2+]CC2([S@@](C)=O)CCC2)c1O ZINC000280616970 521361831 /nfs/dbraw/zinc/36/18/31/521361831.db2.gz KOXLYKZAGCQQSJ-HXUWFJFHSA-N 1 0 297.420 2.182 20 10 CECDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000035134367 521743619 /nfs/dbraw/zinc/74/36/19/521743619.db2.gz FLOZJWMSZCXZIE-CQSZACIVSA-N 1 0 289.423 2.291 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CCCCCO)c1O ZINC000076274282 522540244 /nfs/dbraw/zinc/54/02/44/522540244.db2.gz BHWPXKHURPAZGM-UHFFFAOYSA-N 1 0 273.760 2.306 20 10 CECDRO COC[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000279762518 522685551 /nfs/dbraw/zinc/68/55/51/522685551.db2.gz JGVQDUJHCXARNW-INIZCTEOSA-N 1 0 287.359 2.156 20 10 CECDRO CC[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(C)cc1O ZINC000280245551 522710432 /nfs/dbraw/zinc/71/04/32/522710432.db2.gz WGHBTXGVDRNHLL-GJZGRUSLSA-N 1 0 289.379 2.208 20 10 CECDRO CC[C@@H]([NH2+]CCN(C)CCOC)c1ccccc1O ZINC000061375158 522833132 /nfs/dbraw/zinc/83/31/32/522833132.db2.gz BFWMAMWBURYEPS-CQSZACIVSA-N 1 0 266.385 2.011 20 10 CECDRO COC(=O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298742260 523069087 /nfs/dbraw/zinc/06/90/87/523069087.db2.gz XSTNXMJJZDWKGJ-UHFFFAOYSA-N 1 0 276.380 2.280 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@H](COC)C1 ZINC000366696209 523105038 /nfs/dbraw/zinc/10/50/38/523105038.db2.gz YJXGHVMRJBNQOZ-JSGCOSHPSA-N 1 0 265.353 2.191 20 10 CECDRO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000274896523 523762499 /nfs/dbraw/zinc/76/24/99/523762499.db2.gz GAQCAXXALIPWGW-JSGCOSHPSA-N 1 0 277.364 2.474 20 10 CECDRO CO[C@](C)(C[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000291051802 524027604 /nfs/dbraw/zinc/02/76/04/524027604.db2.gz NDKSDEDEABERJK-CQSZACIVSA-N 1 0 253.317 2.436 20 10 CECDRO CNC(=O)CC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000129606073 524056204 /nfs/dbraw/zinc/05/62/04/524056204.db2.gz RHBPXLVXXQHBFP-UHFFFAOYSA-N 1 0 296.798 2.394 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)Cn2cccn2)cc1C ZINC000035272355 524088858 /nfs/dbraw/zinc/08/88/58/524088858.db2.gz NBQOLPBSRXWFNZ-CYBMUJFWSA-N 1 0 259.353 2.378 20 10 CECDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)c1ccco1 ZINC000266170348 525179543 /nfs/dbraw/zinc/17/95/43/525179543.db2.gz QVMXKZNLMPSALO-INIZCTEOSA-N 1 0 273.332 2.212 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCCOC[C@H]2CCCO2)c1 ZINC000071406650 525349481 /nfs/dbraw/zinc/34/94/81/525349481.db2.gz LTHPTWRPKXXSLK-OAHLLOKOSA-N 1 0 279.380 2.376 20 10 CECDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(N2CCOCC2)cc1 ZINC000278876903 525440872 /nfs/dbraw/zinc/44/08/72/525440872.db2.gz SFRBBHOMJYDPDM-LSDHHAIUSA-N 1 0 292.423 2.335 20 10 CECDRO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Cl)ccc1O ZINC000273536960 525542441 /nfs/dbraw/zinc/54/24/41/525542441.db2.gz XOEKHWIGISUDCH-ZANVPECISA-N 1 0 295.770 2.163 20 10 CECDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(F)ccc2O)o1 ZINC000272366171 525780184 /nfs/dbraw/zinc/78/01/84/525780184.db2.gz FXWOOCTVCDDYRT-ZDUSSCGKSA-N 1 0 265.284 2.256 20 10 CECDRO Cc1ccoc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000291662250 525804749 /nfs/dbraw/zinc/80/47/49/525804749.db2.gz FHDGRPDSPMDHOO-UHFFFAOYSA-N 1 0 261.277 2.312 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000290308264 526349497 /nfs/dbraw/zinc/34/94/97/526349497.db2.gz BXDBGYAJSKJAFA-UHFFFAOYSA-N 1 0 288.313 2.304 20 10 CECDRO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000036864740 526494965 /nfs/dbraw/zinc/49/49/65/526494965.db2.gz YBHKMHSYNCMONP-UHFFFAOYSA-N 1 0 258.369 2.382 20 10 CECDRO OC[C@@H](CC1CCC1)[NH2+]Cc1cc(F)ccc1O ZINC000279831104 527579311 /nfs/dbraw/zinc/57/93/11/527579311.db2.gz QHOZWJCCCMRCNH-CYBMUJFWSA-N 1 0 253.317 2.172 20 10 CECDRO CCC[N@H+](C)CC(=O)NCc1c(C)c2ccccc2n1C ZINC000352124291 527822362 /nfs/dbraw/zinc/82/23/62/527822362.db2.gz XGMUFAOXYOKZBJ-UHFFFAOYSA-N 1 0 287.407 2.445 20 10 CECDRO CCC[N@H+](C)CC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000730279020 574513326 /nfs/dbraw/zinc/51/33/26/574513326.db2.gz RWDGFQLMAKGAQJ-UHFFFAOYSA-N 1 0 291.439 2.491 20 10 CECDRO C[C@H](CNC(=O)C1=CC(=O)CS1)[NH+]1CCC(C)CC1 ZINC000731871420 574604560 /nfs/dbraw/zinc/60/45/60/574604560.db2.gz KBBUMTBZVLPFSN-LLVKDONJSA-N 1 0 282.409 2.304 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000753374252 575324951 /nfs/dbraw/zinc/32/49/51/575324951.db2.gz RMNXYMPLMLASPT-ZIAGYGMSSA-N 1 0 265.353 2.304 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCC(=O)Nc2ccccn2)c1 ZINC000733325597 574663945 /nfs/dbraw/zinc/66/39/45/574663945.db2.gz LZSJWPDGNVVNJU-UHFFFAOYSA-N 1 0 285.347 2.214 20 10 CECDRO COC[C@@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613499 574683066 /nfs/dbraw/zinc/68/30/66/574683066.db2.gz YZQZTTFXDXPHIA-HNNXBMFYSA-N 1 0 279.380 2.144 20 10 CECDRO C[C@H]([NH2+]Cc1ccccc1O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736135306 574776878 /nfs/dbraw/zinc/77/68/78/574776878.db2.gz PFICHPQYZPBLHG-NSHDSACASA-N 1 0 295.346 2.423 20 10 CECDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756576496 574821951 /nfs/dbraw/zinc/82/19/51/574821951.db2.gz NMHGRFZBHKLJLI-RNCFNFMXSA-N 1 0 273.760 2.094 20 10 CECDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000741254775 574979374 /nfs/dbraw/zinc/97/93/74/574979374.db2.gz CXTJOYCDNJSNNI-UHFFFAOYSA-N 1 0 282.359 2.323 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c(O)c1 ZINC000742374627 575017920 /nfs/dbraw/zinc/01/79/20/575017920.db2.gz AQWZPBLGNVLUPS-GXTWGEPZSA-N 1 0 278.396 2.363 20 10 CECDRO COc1cccc(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)c1O ZINC000753569066 575330332 /nfs/dbraw/zinc/33/03/32/575330332.db2.gz VXSCPUDXMRAHQL-UHFFFAOYSA-N 1 0 299.330 2.273 20 10 CECDRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1O ZINC000824616980 608457883 /nfs/dbraw/zinc/45/78/83/608457883.db2.gz BVUYCBAQIHOIDC-NSHDSACASA-N 1 0 295.346 2.423 20 10 CECDRO C[NH+]1CCC(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890760680 622931794 /nfs/dbraw/zinc/93/17/94/622931794.db2.gz VXSRCXBRHRMAFZ-UHFFFAOYSA-N 1 0 282.771 2.004 20 10 CECDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(O)c1O ZINC000804777719 622961480 /nfs/dbraw/zinc/96/14/80/622961480.db2.gz FBPSWVRPQZIJIS-LBPRGKRZSA-N 1 0 292.379 2.010 20 10 CECDRO CO[C@H](C)CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000313341655 623634590 /nfs/dbraw/zinc/63/45/90/623634590.db2.gz MPDCIGMZMPLBQL-CQSZACIVSA-N 1 0 278.396 2.038 20 10 CECDRO C[C@@H](NC(=O)N[C@H](C[NH3+])C1CCCC1)c1ccccc1O ZINC000892091710 624310873 /nfs/dbraw/zinc/31/08/73/624310873.db2.gz LTOSACNARJMZGM-BXUZGUMPSA-N 1 0 291.395 2.270 20 10 CECDRO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000045693390 624503748 /nfs/dbraw/zinc/50/37/48/624503748.db2.gz HXXHBKYQXVTORK-CYBMUJFWSA-N 1 0 262.397 2.441 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000051991987 624725677 /nfs/dbraw/zinc/72/56/77/624725677.db2.gz MKZZKCWSHOHZHN-DGCLKSJQSA-N 1 0 255.745 2.439 20 10 CECDRO OCC1([NH2+]Cc2cc(Cl)ccc2O)CCCC1 ZINC000053044658 625097746 /nfs/dbraw/zinc/09/77/46/625097746.db2.gz BIHSWGOMSPTYCQ-UHFFFAOYSA-N 1 0 255.745 2.440 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000725847434 625784125 /nfs/dbraw/zinc/78/41/25/625784125.db2.gz MGJPJGKQJGPSGQ-CYBMUJFWSA-N 1 0 299.374 2.146 20 10 CECDRO CCOc1cccc(C[NH2+]C2(CO)CCCC2)c1O ZINC000053044599 627323756 /nfs/dbraw/zinc/32/37/56/627323756.db2.gz QBILQESCNBIGDQ-UHFFFAOYSA-N 1 0 265.353 2.186 20 10 CECDRO Oc1ccccc1C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892790532 627774367 /nfs/dbraw/zinc/77/43/67/627774367.db2.gz DSTNVBURLKUAAC-CHWSQXEVSA-N 1 0 281.327 2.116 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)CC1([NH3+])CC1 ZINC000852824390 627895982 /nfs/dbraw/zinc/89/59/82/627895982.db2.gz AMMRZLWDXICUDR-UHFFFAOYSA-N 1 0 262.353 2.012 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c(O)c1OC ZINC000893125066 628021021 /nfs/dbraw/zinc/02/10/21/628021021.db2.gz AGUDSCKZQRKUKO-AULYBMBSSA-N 1 0 295.379 2.050 20 10 CECDRO COc1ccc(C[NH2+]C2(C)CCOCC2)c(O)c1OC ZINC000893188885 628107633 /nfs/dbraw/zinc/10/76/33/628107633.db2.gz IYVWBLKKILCFSE-UHFFFAOYSA-N 1 0 281.352 2.068 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092643775 628297345 /nfs/dbraw/zinc/29/73/45/628297345.db2.gz ZPBFUKOEFKZKQD-JTQLQIEISA-N 1 0 283.755 2.431 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000840909959 628376727 /nfs/dbraw/zinc/37/67/27/628376727.db2.gz NVAHAUYTUOODRR-UHFFFAOYSA-N 1 0 255.745 2.311 20 10 CECDRO C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1ccc(F)cc1O ZINC000902450624 634673432 /nfs/dbraw/zinc/67/34/32/634673432.db2.gz UJMNELXZUOHTHY-RNCFNFMXSA-N 1 0 252.333 2.180 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CC[C@H](C)C1 ZINC000840935677 628753174 /nfs/dbraw/zinc/75/31/74/628753174.db2.gz AADAPMAARJZXCL-AWEZNQCLSA-N 1 0 275.440 2.492 20 10 CECDRO CCN1C[C@@H]([NH2+]Cc2c(O)cc(C)cc2Cl)CC1=O ZINC000840950489 628846242 /nfs/dbraw/zinc/84/62/42/628846242.db2.gz KXQRURFOWFSYCR-JTQLQIEISA-N 1 0 282.771 2.064 20 10 CECDRO COCCOCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094616979 628929214 /nfs/dbraw/zinc/92/92/14/628929214.db2.gz HRSTZAINQGUQRK-NSHDSACASA-N 1 0 271.332 2.235 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+]Cc1cn[nH]c1 ZINC000236616232 628977398 /nfs/dbraw/zinc/97/73/98/628977398.db2.gz FAMBJZAUYVSZJK-UHFFFAOYSA-N 1 0 282.141 2.168 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](CO)C2)c1 ZINC000840979498 628988255 /nfs/dbraw/zinc/98/82/55/628988255.db2.gz SNBNACUPFKTNBY-OCCSQVGLSA-N 1 0 279.380 2.432 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCOC[C@H]1CC1CC1)OCO2 ZINC000902540092 634707061 /nfs/dbraw/zinc/70/70/61/634707061.db2.gz WBACYYNNWNHDPQ-CYBMUJFWSA-N 1 0 291.347 2.122 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000178711345 629133603 /nfs/dbraw/zinc/13/36/03/629133603.db2.gz ZDXZIKHCELQDOE-CVEARBPZSA-N 1 0 289.423 2.276 20 10 CECDRO CON1CCC([NH2+]Cc2ccc3c(c2)CCCN3C)CC1 ZINC000924869346 629134149 /nfs/dbraw/zinc/13/41/49/629134149.db2.gz GUODIZCGDVWNJR-UHFFFAOYSA-N 1 0 289.423 2.184 20 10 CECDRO COc1ccc(C[NH+]2CC(C(C)C)C2)c(O)c1OC ZINC000894134595 629158774 /nfs/dbraw/zinc/15/87/74/629158774.db2.gz NPYHQHNQKUACJZ-UHFFFAOYSA-N 1 0 265.353 2.497 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2c(C)nn(C)c2C)c1O ZINC000894221789 629234971 /nfs/dbraw/zinc/23/49/71/629234971.db2.gz WZHCFRYDRZTOJW-UHFFFAOYSA-N 1 0 289.379 2.349 20 10 CECDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000178900506 629265517 /nfs/dbraw/zinc/26/55/17/629265517.db2.gz NRGSMUZXPFSMJV-INIZCTEOSA-N 1 0 277.364 2.394 20 10 CECDRO CC[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(C)cc1O ZINC000794800022 629324235 /nfs/dbraw/zinc/32/42/35/629324235.db2.gz BFEMEYPHCDPTPZ-ZIAGYGMSSA-N 1 0 276.380 2.362 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(C)cc1O ZINC000794809081 629325047 /nfs/dbraw/zinc/32/50/47/629325047.db2.gz QGEFLXLYNCWPQD-GOEBONIOSA-N 1 0 292.423 2.462 20 10 CECDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)c1ccc(C)cc1O ZINC000794815301 629328685 /nfs/dbraw/zinc/32/86/85/629328685.db2.gz JTNGOXHZLIKEGC-YPMHNXCESA-N 1 0 264.369 2.218 20 10 CECDRO CCn1ncnc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000794840308 629333245 /nfs/dbraw/zinc/33/32/45/629333245.db2.gz IGJVUSMTZQPBFW-NSHDSACASA-N 1 0 260.341 2.163 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CSC[C@@H]2C)c(O)c1OC ZINC000894411926 629444449 /nfs/dbraw/zinc/44/44/49/629444449.db2.gz BTTSEUYOFIBFJL-ONGXEEELSA-N 1 0 283.393 2.251 20 10 CECDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894453543 629467776 /nfs/dbraw/zinc/46/77/76/629467776.db2.gz HLXUNLWBOCWVCU-NWDGAFQWSA-N 1 0 295.379 2.387 20 10 CECDRO CCOC(=O)C1(C[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894478645 629485224 /nfs/dbraw/zinc/48/52/24/629485224.db2.gz BCNUJINTXIOQEV-UHFFFAOYSA-N 1 0 293.363 2.142 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@@H]3C1)[C@@H](O)CO2 ZINC000902654439 634759206 /nfs/dbraw/zinc/75/92/06/634759206.db2.gz MIJNPPHXCUEMKI-RWSFTLGLSA-N 1 0 275.348 2.050 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CS[C@H](C)C2)c(O)c1OC ZINC000894903145 629743297 /nfs/dbraw/zinc/74/32/97/629743297.db2.gz KGTIZNKTMYGYIF-MWLCHTKSSA-N 1 0 283.393 2.393 20 10 CECDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2O)C1 ZINC000895004476 629789165 /nfs/dbraw/zinc/78/91/65/629789165.db2.gz QUHSPUTXCABPGV-GOSISDBHSA-N 1 0 296.370 2.021 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(O)c1OC ZINC000895031688 629811898 /nfs/dbraw/zinc/81/18/98/629811898.db2.gz MWCCBXPEOCQDDC-ZSBIGDGJSA-N 1 0 263.337 2.298 20 10 CECDRO CC[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)C(=O)OC ZINC000895121418 629925213 /nfs/dbraw/zinc/92/52/13/629925213.db2.gz QGIFJACYGWBRHE-CYBMUJFWSA-N 1 0 264.369 2.041 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCCCC[C@H]2CO)c1 ZINC000895150220 629964845 /nfs/dbraw/zinc/96/48/45/629964845.db2.gz ICYCFIZLZFWMRL-ZDUSSCGKSA-N 1 0 265.353 2.138 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@@H](CO)CC2CC2)c1O ZINC000895278553 630075375 /nfs/dbraw/zinc/07/53/75/630075375.db2.gz MPUOCOHZCYOJFW-ZDUSSCGKSA-N 1 0 279.380 2.207 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@H]2CC(C)=NO2)c1O ZINC000895309526 630097918 /nfs/dbraw/zinc/09/79/18/630097918.db2.gz CADHZWNGZABWIL-GFCCVEGCSA-N 1 0 264.325 2.045 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c(O)c1 ZINC000797070847 630124140 /nfs/dbraw/zinc/12/41/40/630124140.db2.gz NFVGBHOYDRCUAN-NEPJUHHUSA-N 1 0 297.420 2.317 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1O ZINC000797071300 630124327 /nfs/dbraw/zinc/12/43/27/630124327.db2.gz RFDUDFZXJYRDEU-AAEUAGOBSA-N 1 0 297.420 2.399 20 10 CECDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(OC)c2O)C1 ZINC000895347846 630128713 /nfs/dbraw/zinc/12/87/13/630128713.db2.gz SMTCJUANUBYZRY-HAQNSBGRSA-N 1 0 281.352 2.067 20 10 CECDRO COc1ccc(C[NH2+]CCc2ccoc2)c(O)c1OC ZINC000895372147 630146242 /nfs/dbraw/zinc/14/62/42/630146242.db2.gz AASXRAYMWSBOFC-UHFFFAOYSA-N 1 0 277.320 2.335 20 10 CECDRO Cc1cccc(C[N@@H+]2CCc3ncncc3C2)c1O ZINC000895722076 630314635 /nfs/dbraw/zinc/31/46/35/630314635.db2.gz CITYUADICUHIBB-UHFFFAOYSA-N 1 0 255.321 2.049 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1O ZINC000896409463 630556759 /nfs/dbraw/zinc/55/67/59/630556759.db2.gz NUDFSHPJUDHCQF-CJNGLKHVSA-N 1 0 277.364 2.366 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000896556675 630597719 /nfs/dbraw/zinc/59/77/19/630597719.db2.gz ZGXDXQUQPLFMTL-XJKSGUPXSA-N 1 0 261.413 2.243 20 10 CECDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000896961855 630845034 /nfs/dbraw/zinc/84/50/34/630845034.db2.gz GBGJRJNGMOWBBU-SNVBAGLBSA-N 1 0 283.755 2.431 20 10 CECDRO Cc1cccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c1O ZINC000897228072 631001500 /nfs/dbraw/zinc/00/15/00/631001500.db2.gz KEBPZYWIADIKAF-MRXNPFEDSA-N 1 0 290.407 2.044 20 10 CECDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000800224818 631099594 /nfs/dbraw/zinc/09/95/94/631099594.db2.gz OZXFHLDTWOXFCO-OAHLLOKOSA-N 1 0 292.423 2.426 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)c1O ZINC000800534162 631133394 /nfs/dbraw/zinc/13/33/94/631133394.db2.gz XHFNDGWBMWDILT-AWEZNQCLSA-N 1 0 297.420 2.100 20 10 CECDRO Cc1cccc(O)c1C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000897392336 631277078 /nfs/dbraw/zinc/27/70/78/631277078.db2.gz XSVIKFGHNDFRPX-UHFFFAOYSA-N 1 0 258.321 2.433 20 10 CECDRO CC[C@H](CO)[N@H+](C)Cc1c(O)cccc1Br ZINC000862381803 631334793 /nfs/dbraw/zinc/33/47/93/631334793.db2.gz HYNLMZSCNSHZHF-SECBINFHSA-N 1 0 288.185 2.357 20 10 CECDRO C[C@@H]1CC[C@H](NCc2c(O)cccc2Cl)C[NH2+]1 ZINC000863484210 631559703 /nfs/dbraw/zinc/55/97/03/631559703.db2.gz IAZRDDVBPQZZES-ZJUUUORDSA-N 1 0 254.761 2.276 20 10 CECDRO C[C@H](NC(=O)NCC[N@@H+]1CCC[C@H]1C)c1ccccc1O ZINC000897518234 631611967 /nfs/dbraw/zinc/61/19/67/631611967.db2.gz HVINPPGMCYLDJC-OLZOCXBDSA-N 1 0 291.395 2.237 20 10 CECDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(F)ccc1O ZINC000310981739 631663392 /nfs/dbraw/zinc/66/33/92/631663392.db2.gz RDOYJVOZTCVHEH-YMTOWFKASA-N 1 0 253.317 2.343 20 10 CECDRO Oc1ccc(Br)cc1CNC[C@@H]1CCCC[NH2+]1 ZINC000841032339 631820614 /nfs/dbraw/zinc/82/06/14/631820614.db2.gz CPXZDJQUHUWGEE-LBPRGKRZSA-N 1 0 299.212 2.386 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCCOC2)c(O)c1 ZINC000808436423 631963410 /nfs/dbraw/zinc/96/34/10/631963410.db2.gz WCYSXVTXEWJEKV-LBPRGKRZSA-N 1 0 251.326 2.060 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2COCCO2)c1O ZINC000808677839 631999203 /nfs/dbraw/zinc/99/92/03/631999203.db2.gz FJSGHTMVBSNPPA-ZYHUDNBSSA-N 1 0 285.771 2.420 20 10 CECDRO Oc1ccc(Cl)cc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898206083 632086276 /nfs/dbraw/zinc/08/62/76/632086276.db2.gz LMNGJEJPEMKWCF-CYBMUJFWSA-N 1 0 255.745 2.296 20 10 CECDRO COC(=O)CCCCC[NH2+]Cc1c(O)cccc1OC ZINC000809727586 632133731 /nfs/dbraw/zinc/13/37/31/632133731.db2.gz OXVMHLWBZXLYPW-UHFFFAOYSA-N 1 0 281.352 2.224 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)C2CCC(CO)CC2)c1 ZINC000809766138 632143756 /nfs/dbraw/zinc/14/37/56/632143756.db2.gz VKNJAXNZZBBXQB-UHFFFAOYSA-N 1 0 279.380 2.384 20 10 CECDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(OC)ccc2O)C1 ZINC000898481885 632508880 /nfs/dbraw/zinc/50/88/80/632508880.db2.gz VQFORXWMYXOXDA-YPMHNXCESA-N 1 0 293.363 2.222 20 10 CECDRO COc1cc(C)cc(C[NH+]2CCC(OC)CC2)c1O ZINC000813091976 632618639 /nfs/dbraw/zinc/61/86/39/632618639.db2.gz WWZWOLVVQXRNRN-UHFFFAOYSA-N 1 0 265.353 2.320 20 10 CECDRO C[N@@H+]1C[C@H]2CCN(Cc3cc(Cl)ccc3O)[C@@H]2C1 ZINC000814173229 632798926 /nfs/dbraw/zinc/79/89/26/632798926.db2.gz HZSCPGPUWAVGLY-ZWNOBZJWSA-N 1 0 266.772 2.182 20 10 CECDRO CCC[N@H+](CC(N)=O)Cc1ccc(N(CC)CC)cc1 ZINC000814177535 632800046 /nfs/dbraw/zinc/80/00/46/632800046.db2.gz GKEXQWZYJRGPKR-UHFFFAOYSA-N 1 0 277.412 2.230 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@H](CO)C2)ccc1N(C)C ZINC000815013797 632949318 /nfs/dbraw/zinc/94/93/18/632949318.db2.gz YPGTZISGHBSZAO-HNNXBMFYSA-N 1 0 262.397 2.265 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)cc1 ZINC000815106420 632960684 /nfs/dbraw/zinc/96/06/84/632960684.db2.gz ULNGXPYDTAFYEG-RHSMWYFYSA-N 1 0 292.423 2.114 20 10 CECDRO Oc1c(C[NH2+]C[C@H]2COCCO2)ccc2ccccc21 ZINC000816536769 633409058 /nfs/dbraw/zinc/40/90/58/633409058.db2.gz JMCSTHQTIJYNDB-AWEZNQCLSA-N 1 0 273.332 2.050 20 10 CECDRO CCCN1C[C@@H](C[NH2+]Cc2cc(C)c(C)cc2O)CC1=O ZINC000817410720 633649935 /nfs/dbraw/zinc/64/99/35/633649935.db2.gz GLHRNRRGUXAHRT-CQSZACIVSA-N 1 0 290.407 2.357 20 10 CECDRO CC[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2OC)CCO1 ZINC000817415369 633653866 /nfs/dbraw/zinc/65/38/66/633653866.db2.gz RZPSGRJTMFGDDQ-NEPJUHHUSA-N 1 0 265.353 2.448 20 10 CECDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc2c(c1)CCCN2C ZINC000817900432 633760848 /nfs/dbraw/zinc/76/08/48/633760848.db2.gz MTNMALYYXADGKL-BBRMVZONSA-N 1 0 273.424 2.157 20 10 CECDRO C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]2)c2c1c(F)ccc2O ZINC000817953227 633796955 /nfs/dbraw/zinc/79/69/55/633796955.db2.gz XQFBLEHEQPXQHG-JFGNBEQYSA-N 1 0 264.344 2.421 20 10 CECDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(N)cc2)[C@H]1C ZINC000817956784 633799358 /nfs/dbraw/zinc/79/93/58/633799358.db2.gz CXTNHIRFQWPODR-DUVNUKRYSA-N 1 0 290.407 2.379 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817959846 633801445 /nfs/dbraw/zinc/80/14/45/633801445.db2.gz JREXJMCJCDWLFS-MISXGVKJSA-N 1 0 293.367 2.469 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)cc1[O-] ZINC000817964547 633806818 /nfs/dbraw/zinc/80/68/18/633806818.db2.gz CHXNDYQYBPDYRH-CHWSQXEVSA-N 1 0 252.333 2.309 20 10 CECDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CN)c1O ZINC000817970416 633814175 /nfs/dbraw/zinc/81/41/75/633814175.db2.gz VBHDUXMXQCNFIH-DTWKUNHWSA-N 1 0 287.201 2.461 20 10 CECDRO C[C@@H](NC[C@@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1O ZINC000817981697 633824573 /nfs/dbraw/zinc/82/45/73/633824573.db2.gz MSAISSXMQUJVDJ-PWSUYJOCSA-N 1 0 284.787 2.075 20 10 CECDRO C[C@@H](NC[C@H]1C[NH2+]CCCO1)c1cc(Cl)ccc1O ZINC000817981698 633824856 /nfs/dbraw/zinc/82/48/56/633824856.db2.gz MSAISSXMQUJVDJ-ZYHUDNBSSA-N 1 0 284.787 2.075 20 10 CECDRO [NH3+][C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)C1CCC1 ZINC000817997775 633830870 /nfs/dbraw/zinc/83/08/70/633830870.db2.gz VYCQYFAPJHNSAO-MRXNPFEDSA-N 1 0 288.391 2.015 20 10 CECDRO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1cc(F)ccc1O ZINC000818350957 633914905 /nfs/dbraw/zinc/91/49/05/633914905.db2.gz NUDJRLHRUVZRGF-JTQLQIEISA-N 1 0 289.372 2.007 20 10 CECDRO Nc1ccc(CCNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000818545073 633942924 /nfs/dbraw/zinc/94/29/24/633942924.db2.gz FORCEQVLOUPZLK-CVEARBPZSA-N 1 0 289.423 2.225 20 10 CECDRO COc1ccc(N2CC[C@@H](C[NH2+]C3CSC3)C2)cc1 ZINC000822493760 634931344 /nfs/dbraw/zinc/93/13/44/634931344.db2.gz AGIUURNFODUTSX-LBPRGKRZSA-N 1 0 278.421 2.227 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1O ZINC000822504599 634932542 /nfs/dbraw/zinc/93/25/42/634932542.db2.gz WXSFTSIANICLDJ-AWEZNQCLSA-N 1 0 272.352 2.129 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2C)c1O ZINC000903300116 635047339 /nfs/dbraw/zinc/04/73/39/635047339.db2.gz GSTGLWZYBYJBGJ-DMDPSCGWSA-N 1 0 264.369 2.144 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc3n2CCOC3)c(O)c1 ZINC000903421064 635121963 /nfs/dbraw/zinc/12/19/63/635121963.db2.gz RIJQGYUAPXVVCC-LBPRGKRZSA-N 1 0 287.363 2.278 20 10 CECDRO Cc1cc(CN2CCC[C@]23CC[NH2+]C3)ccc1N(C)C ZINC000903872293 635321382 /nfs/dbraw/zinc/32/13/82/635321382.db2.gz YPKIESHXSJMPGX-QGZVFWFLSA-N 1 0 273.424 2.389 20 10 CECDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000824636290 635467382 /nfs/dbraw/zinc/46/73/82/635467382.db2.gz OGLQUGDAQQTOSJ-YPMHNXCESA-N 1 0 295.379 2.002 20 10 CECDRO CC(=O)NC1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824645378 635469727 /nfs/dbraw/zinc/46/97/27/635469727.db2.gz GXCABCYBWGCQMJ-UHFFFAOYSA-N 1 0 296.798 2.455 20 10 CECDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000824702027 635480997 /nfs/dbraw/zinc/48/09/97/635480997.db2.gz GYBVVYLCPDLZPU-NEPJUHHUSA-N 1 0 283.755 2.477 20 10 CECDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000824710447 635483607 /nfs/dbraw/zinc/48/36/07/635483607.db2.gz YWFQGPSIOVDLSU-QMTHXVAHSA-N 1 0 285.771 2.187 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1F ZINC000824726394 635485338 /nfs/dbraw/zinc/48/53/38/635485338.db2.gz LIMDSQJJNVSGTN-CQSZACIVSA-N 1 0 288.313 2.094 20 10 CECDRO COCCOCCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825064162 635557216 /nfs/dbraw/zinc/55/72/16/635557216.db2.gz IVZSQJQXBMXWSY-UHFFFAOYSA-N 1 0 287.787 2.497 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCC[C@@H]1CCOC1 ZINC000825134089 635576424 /nfs/dbraw/zinc/57/64/24/635576424.db2.gz UYQIKOVARYMCQZ-GFCCVEGCSA-N 1 0 265.353 2.307 20 10 CECDRO CN1C[C@@H]2C[N@H+](Cc3c(O)ccc4ccncc43)C[C@]2(C)C1 ZINC000904437444 635629984 /nfs/dbraw/zinc/62/99/84/635629984.db2.gz RYTNGSJZPRTROW-KDOFPFPSSA-N 1 0 297.402 2.324 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](C)N(C)C)cc1Cl ZINC000825425548 635636838 /nfs/dbraw/zinc/63/68/38/635636838.db2.gz BTFZGMROEJHVOG-JTQLQIEISA-N 1 0 256.777 2.394 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@@H]1C[NH2+]CC1(C)C ZINC000904460995 635644111 /nfs/dbraw/zinc/64/41/11/635644111.db2.gz DAFCHYPNFIRWHJ-OAHLLOKOSA-N 1 0 261.413 2.149 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2ccnn2C)cc1Cl ZINC000825519390 635651750 /nfs/dbraw/zinc/65/17/50/635651750.db2.gz DVFSLXVMHUTIHA-UHFFFAOYSA-N 1 0 279.771 2.420 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](CO)CCF)cc1Cl ZINC000826142535 635765595 /nfs/dbraw/zinc/76/55/95/635765595.db2.gz DUMFLMNRTGNOHB-JTQLQIEISA-N 1 0 261.724 2.164 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CO[C@H](C)C2)c1 ZINC000842775293 635775713 /nfs/dbraw/zinc/77/57/13/635775713.db2.gz LYAJEGROQJHUSB-ZYHUDNBSSA-N 1 0 251.326 2.058 20 10 CECDRO Cc1cccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1O ZINC000826785593 635846849 /nfs/dbraw/zinc/84/68/49/635846849.db2.gz YSHQJSSBEFAWMV-UHFFFAOYSA-N 1 0 272.348 2.070 20 10 CECDRO CCc1cccc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)c1O ZINC000826822176 635855405 /nfs/dbraw/zinc/85/54/05/635855405.db2.gz MLFYJXGZYMEYJF-GJZGRUSLSA-N 1 0 279.380 2.096 20 10 CECDRO CCc1cccc(C[NH2+][C@@H](COC)C2CCOCC2)c1O ZINC000826877351 635868678 /nfs/dbraw/zinc/86/86/78/635868678.db2.gz FGUMCCFYIDBSSE-INIZCTEOSA-N 1 0 293.407 2.486 20 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2.142 20 10 CECDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1COCCO1 ZINC000827442680 636322562 /nfs/dbraw/zinc/32/25/62/636322562.db2.gz PCBQINIBYDJGMA-QGZVFWFLSA-N 1 0 292.423 2.378 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]C2([C@H](C)O)CC2)c1O ZINC000827586024 636359568 /nfs/dbraw/zinc/35/95/68/636359568.db2.gz STNSURIEXVWJQU-QMMMGPOBSA-N 1 0 271.744 2.057 20 10 CECDRO Cc1cc(O)c(C[NH2+]C2([C@H](C)O)CC2)cc1Cl ZINC000827585230 636359828 /nfs/dbraw/zinc/35/98/28/636359828.db2.gz CQOYVOKYWBDTFG-VIFPVBQESA-N 1 0 255.745 2.357 20 10 CECDRO C[C@H](O)C1([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000827586599 636360930 /nfs/dbraw/zinc/36/09/30/636360930.db2.gz ZGDIRZKMUUAVIL-ZFDPJTLLSA-N 1 0 260.381 2.269 20 10 CECDRO Cc1cc(Cl)cc(C[NH2+]CCOCCF)c1O ZINC000827949880 636467243 /nfs/dbraw/zinc/46/72/43/636467243.db2.gz OQKNUEDMROPSIP-UHFFFAOYSA-N 1 0 261.724 2.430 20 10 CECDRO C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827960886 636470997 /nfs/dbraw/zinc/47/09/97/636470997.db2.gz YGNIEGWPDLIQTH-MNOVXSKESA-N 1 0 273.336 2.171 20 10 CECDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827978439 636478060 /nfs/dbraw/zinc/47/80/60/636478060.db2.gz TUHZYIGPAYGJJU-GXTWGEPZSA-N 1 0 276.380 2.444 20 10 CECDRO C[C@@H](CO)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121393589 637124583 /nfs/dbraw/zinc/12/45/83/637124583.db2.gz WUICVIPUOWCRAS-HIFRSBDPSA-N 1 0 279.380 2.002 20 10 CECDRO CC(C)SCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832299808 637537265 /nfs/dbraw/zinc/53/72/65/637537265.db2.gz JEVGGQFIDOQSFF-CQSZACIVSA-N 1 0 295.452 2.010 20 10 CECDRO Cc1cc(C[NH3+])oc1C(=O)N(C)Cc1ccccc1O ZINC000876605896 650356285 /nfs/dbraw/zinc/35/62/85/650356285.db2.gz QMKHQOGVOMHAFR-UHFFFAOYSA-N 1 0 274.320 2.025 20 10 CECDRO COC1CCN(CC[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000834616752 637890999 /nfs/dbraw/zinc/89/09/99/637890999.db2.gz QPEAZFXAEGUZHH-HNNXBMFYSA-N 1 0 290.407 2.080 20 10 CECDRO OC[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)Cc1ccco1 ZINC000834624025 637893777 /nfs/dbraw/zinc/89/37/77/637893777.db2.gz DWWBYTNRJDTDNB-DOMZBBRYSA-N 1 0 287.359 2.413 20 10 CECDRO O=C(C[NH2+][C@H]1CCc2cccc(O)c21)NC1CCCC1 ZINC000834645717 637902114 /nfs/dbraw/zinc/90/21/14/637902114.db2.gz JVWRQRBISBENIE-ZDUSSCGKSA-N 1 0 274.364 2.028 20 10 CECDRO CC1(C)OCC([NH2+][C@@H]2CCc3cccc(O)c32)CO1 ZINC000834764828 637944131 /nfs/dbraw/zinc/94/41/31/637944131.db2.gz HIHJCOUBNWOWJN-GFCCVEGCSA-N 1 0 263.337 2.121 20 10 CECDRO CCn1cccc(C[NH2+][C@H]2CCc3cccc(O)c32)c1=O ZINC000834786896 637952323 /nfs/dbraw/zinc/95/23/23/637952323.db2.gz DMTMQPKOTMNYHQ-AWEZNQCLSA-N 1 0 284.359 2.351 20 10 CECDRO COC[C@](C)(O)CC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000834844711 637968132 /nfs/dbraw/zinc/96/81/32/637968132.db2.gz UFGCVLNZOVFEGK-CZUORRHYSA-N 1 0 281.396 2.447 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2CCO)c(O)c1 ZINC000834850582 637970984 /nfs/dbraw/zinc/97/09/84/637970984.db2.gz NCWNNQVIZSXWPL-CABCVRRESA-N 1 0 292.423 2.198 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C(COC)COC)cc1 ZINC000834892179 637979971 /nfs/dbraw/zinc/97/99/71/637979971.db2.gz QLVQKGUEWMSHOV-CYBMUJFWSA-N 1 0 280.412 2.455 20 10 CECDRO CC[C@@H]([NH2+][C@H](CC)c1ccc(C)cc1O)C(=O)NC ZINC000834910886 637985836 /nfs/dbraw/zinc/98/58/36/637985836.db2.gz GJRLGWMITDSSSC-CHWSQXEVSA-N 1 0 264.369 2.266 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)NC ZINC000834911177 637986276 /nfs/dbraw/zinc/98/62/76/637986276.db2.gz HKYARGYONTXMQS-XHDPSFHLSA-N 1 0 290.407 2.446 20 10 CECDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(F)ccc1O ZINC000834911810 637986282 /nfs/dbraw/zinc/98/62/82/637986282.db2.gz BDONDGDUFBKQSI-VHRBIJSZSA-N 1 0 292.354 2.335 20 10 CECDRO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000835028851 638031008 /nfs/dbraw/zinc/03/10/08/638031008.db2.gz UFGYLHMIHKXBRE-ABCZVMIZSA-N 1 0 260.381 2.080 20 10 CECDRO CCn1cnnc1CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835033965 638031951 /nfs/dbraw/zinc/03/19/51/638031951.db2.gz YXLYXBCILYEOSD-WAYWQWQTSA-N 1 0 299.422 2.210 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@H+](C)CC(C)(C)O)cc1 ZINC000835030668 638032178 /nfs/dbraw/zinc/03/21/78/638032178.db2.gz YDTYUMMQSSDHBO-VOTSOKGWSA-N 1 0 262.397 2.469 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCn2cccn2)cc1 ZINC000835035481 638032789 /nfs/dbraw/zinc/03/27/89/638032789.db2.gz JDKGOYMRFAIKIE-HYXAFXHYSA-N 1 0 270.380 2.252 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)CO)cc1 ZINC000835040460 638033989 /nfs/dbraw/zinc/03/39/89/638033989.db2.gz CTZOVCCZYUQUSM-AATRIKPKSA-N 1 0 262.397 2.374 20 10 CECDRO CSC[C@@](C)(O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835040596 638035171 /nfs/dbraw/zinc/03/51/71/638035171.db2.gz QJJBGIGYEFAXSW-JFDDCEBESA-N 1 0 294.464 2.469 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@H+](C)C[C@H](O)C2CC2)cc1 ZINC000835054240 638040316 /nfs/dbraw/zinc/04/03/16/638040316.db2.gz TXAXTHTWRGPTFW-BDUNBXCCSA-N 1 0 274.408 2.469 20 10 CECDRO COC[C@@](C)(O)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835054030 638040643 /nfs/dbraw/zinc/04/06/43/638040643.db2.gz GVBQNNDEARNFNE-OSJSJHBBSA-N 1 0 292.423 2.143 20 10 CECDRO CCO[C@@H]1COC[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835053152 638040975 /nfs/dbraw/zinc/04/09/75/638040975.db2.gz BHSRIRQORCYBMT-MBZYTVFJSA-N 1 0 290.407 2.159 20 10 CECDRO CCOc1ccc(C[NH2+]C(C)(C)CN(C)C)c(O)c1 ZINC000835070635 638047754 /nfs/dbraw/zinc/04/77/54/638047754.db2.gz UIUOPMXPVNWPTM-UHFFFAOYSA-N 1 0 266.385 2.221 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H]2CCC[C@H]2O)ccc1OC ZINC000835080541 638051739 /nfs/dbraw/zinc/05/17/39/638051739.db2.gz UORQEQZWNDUNCK-HUUCEWRRSA-N 1 0 279.380 2.235 20 10 CECDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCOc2cc(F)ccc21 ZINC000876667493 650389572 /nfs/dbraw/zinc/38/95/72/650389572.db2.gz FAPRWPXUGHDAOV-RYBZSIHZSA-N 1 0 290.338 2.107 20 10 CECDRO Cc1cccc(O)c1C[N@@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000876692439 650402765 /nfs/dbraw/zinc/40/27/65/650402765.db2.gz SRBIZYLFMYBVGG-AWEZNQCLSA-N 1 0 260.381 2.369 20 10 CECDRO O=C(C1=CCC[NH2+]CC1)N1CCCc2ccccc21 ZINC000911891125 638456879 /nfs/dbraw/zinc/45/68/79/638456879.db2.gz CLVBSCJQUFCOFK-UHFFFAOYSA-N 1 0 256.349 2.276 20 10 CECDRO Cc1ccc(C[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c(O)c1 ZINC000876880615 650470618 /nfs/dbraw/zinc/47/06/18/650470618.db2.gz LGFVORBXXUBMNZ-MRXNPFEDSA-N 1 0 292.423 2.147 20 10 CECDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCCc2cccc(O)c21 ZINC000876875540 650468874 /nfs/dbraw/zinc/46/88/74/650468874.db2.gz VEFZINXNJUJDOA-YXVBKTCISA-N 1 0 286.375 2.227 20 10 CECDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCc2cccc(F)c21 ZINC000876893955 650476849 /nfs/dbraw/zinc/47/68/49/650476849.db2.gz KVZLOABRFSKFSL-NNNHXZLVSA-N 1 0 274.339 2.271 20 10 CECDRO Cc1cccc2c1N(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)CC2 ZINC000876885257 650472842 /nfs/dbraw/zinc/47/28/42/650472842.db2.gz KNLBVLRXMXAABC-DANTVBBOSA-N 1 0 270.376 2.440 20 10 CECDRO Cc1n[nH]cc1CCC[NH2+]Cc1ccc(C)cc1O ZINC000876922818 650487174 /nfs/dbraw/zinc/48/71/74/650487174.db2.gz MDEHVBKUSRYLET-UHFFFAOYSA-N 1 0 259.353 2.455 20 10 CECDRO Oc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000164233150 639355359 /nfs/dbraw/zinc/35/53/59/639355359.db2.gz BWSMVPALEOBBMB-JQWIXIFHSA-N 1 0 286.169 2.158 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000164272233 639356727 /nfs/dbraw/zinc/35/67/27/639356727.db2.gz RBOLAHWWCPFDQI-CQSZACIVSA-N 1 0 290.407 2.487 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(CCO)CC2)c1 ZINC000157485193 639492319 /nfs/dbraw/zinc/49/23/19/639492319.db2.gz KUGKXOMHGXTLPY-LLVKDONJSA-N 1 0 265.353 2.214 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](O)C(C)C)c(Cl)c1 ZINC000840899748 639577425 /nfs/dbraw/zinc/57/74/25/639577425.db2.gz YORBXEBYOLJNFC-ZDUSSCGKSA-N 1 0 257.761 2.461 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)Cc1cnn(C)c1 ZINC000840909832 639582679 /nfs/dbraw/zinc/58/26/79/639582679.db2.gz LCFYSXSVIZRPJQ-UHFFFAOYSA-N 1 0 272.396 2.427 20 10 CECDRO COC(=O)c1coc(C[NH2+]Cc2ccccc2O)c1 ZINC000168904907 639589854 /nfs/dbraw/zinc/58/98/54/639589854.db2.gz OENBHVZGZQDDDR-UHFFFAOYSA-N 1 0 261.277 2.062 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000840936157 639591201 /nfs/dbraw/zinc/59/12/01/639591201.db2.gz FPXAOTRLTVIQAR-UKRRQHHQSA-N 1 0 262.397 2.264 20 10 CECDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936269 639591441 /nfs/dbraw/zinc/59/14/41/639591441.db2.gz HYNJZFZFWNNGGL-KBPBESRZSA-N 1 0 291.439 2.454 20 10 CECDRO CC[C@@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840937435 639592337 /nfs/dbraw/zinc/59/23/37/639592337.db2.gz SWDXJGXYCPTKKF-OAHLLOKOSA-N 1 0 250.386 2.312 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCCCO ZINC000840942161 639595078 /nfs/dbraw/zinc/59/50/78/639595078.db2.gz UMAQUNMOIZXBSO-UHFFFAOYSA-N 1 0 250.386 2.265 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000840945732 639596415 /nfs/dbraw/zinc/59/64/15/639596415.db2.gz WMFTXBKKIXYHIJ-KRWDZBQOSA-N 1 0 294.439 2.279 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](O)C1(C)C ZINC000840948757 639597302 /nfs/dbraw/zinc/59/73/02/639597302.db2.gz XLYRZWCPXXIZSW-HNNXBMFYSA-N 1 0 262.397 2.406 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000840952038 639598747 /nfs/dbraw/zinc/59/87/47/639598747.db2.gz PTWDORODROKISK-GDBMZVCRSA-N 1 0 262.397 2.312 20 10 CECDRO COCC[C@H](C)C[NH2+]Cc1c(O)cccc1OC ZINC000840955090 639600013 /nfs/dbraw/zinc/60/00/13/639600013.db2.gz MPNMRBUGVUOEFN-NSHDSACASA-N 1 0 253.342 2.163 20 10 CECDRO COCC[C@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000840954710 639600508 /nfs/dbraw/zinc/60/05/08/639600508.db2.gz IROZAYYDDKMFLO-HNNXBMFYSA-N 1 0 292.423 2.285 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](C)C(=O)NC(C)C)cc1C ZINC000840974867 639607363 /nfs/dbraw/zinc/60/73/63/639607363.db2.gz PGQDRZDWBUGFPU-LBPRGKRZSA-N 1 0 264.369 2.012 20 10 CECDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000840975174 639607688 /nfs/dbraw/zinc/60/76/88/639607688.db2.gz MDISRAXANGTZHT-MRXNPFEDSA-N 1 0 277.364 2.476 20 10 CECDRO CN(C)c1ccc(/C=C\CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000841026685 639620575 /nfs/dbraw/zinc/62/05/75/639620575.db2.gz PAUYYZDDRCRGFJ-ODMBXXLQSA-N 1 0 285.435 2.450 20 10 CECDRO CCOc1ccc(CNC[C@H]2CCCC[NH2+]2)c(O)c1 ZINC000841033620 639626528 /nfs/dbraw/zinc/62/65/28/639626528.db2.gz XXIJLLUYCWBVPJ-CYBMUJFWSA-N 1 0 264.369 2.023 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CC[NH2+]1 ZINC000841061178 639636221 /nfs/dbraw/zinc/63/62/21/639636221.db2.gz FWGQDNUZVGBHAB-MWLCHTKSSA-N 1 0 254.761 2.276 20 10 CECDRO CN(C)c1ccc(/C=C\CN[C@H](CC[NH3+])C(F)F)cc1 ZINC000841074681 639644783 /nfs/dbraw/zinc/64/47/83/639644783.db2.gz QFYZEPCAKUHVLM-VQTKUKTRSA-N 1 0 283.366 2.338 20 10 CECDRO Cc1ccc(C[NH2+][C@@H](C)Cc2cnccn2)c(O)c1 ZINC000876975388 650514877 /nfs/dbraw/zinc/51/48/77/650514877.db2.gz FGHSHXKSOGVNSC-LBPRGKRZSA-N 1 0 257.337 2.211 20 10 CECDRO CCOc1cccc(CN[C@H]2CCCC[NH2+]C2)c1O ZINC000841091337 639654579 /nfs/dbraw/zinc/65/45/79/639654579.db2.gz VQDVKICDKYCHLY-ZDUSSCGKSA-N 1 0 264.369 2.023 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)C)c1ccccc1O ZINC000228929440 639665463 /nfs/dbraw/zinc/66/54/63/639665463.db2.gz RNHQNXFXQZONGU-WCQYABFASA-N 1 0 264.369 2.346 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)C)c(O)c1 ZINC000228931815 639665857 /nfs/dbraw/zinc/66/58/57/639665857.db2.gz XLHCPRRIQHBUKM-NWDGAFQWSA-N 1 0 264.369 2.264 20 10 CECDRO CN(C)c1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)cc1F ZINC000841105689 639676442 /nfs/dbraw/zinc/67/64/42/639676442.db2.gz ZLORESMPWAWIIF-MRXNPFEDSA-N 1 0 277.387 2.220 20 10 CECDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(N)cc1 ZINC000841300098 639733135 /nfs/dbraw/zinc/73/31/35/639733135.db2.gz NEPKJUQKDXRJSM-CYBMUJFWSA-N 1 0 276.384 2.265 20 10 CECDRO CCOc1cccc(C[NH2+]CC[C@H]2CCOC2)c1O ZINC000230163912 639744411 /nfs/dbraw/zinc/74/44/11/639744411.db2.gz LIYIPCKHHNMTAI-LBPRGKRZSA-N 1 0 265.353 2.307 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c1O ZINC000230670170 639778522 /nfs/dbraw/zinc/77/85/22/639778522.db2.gz BEOSBYUVAOYIMV-TZMCWYRMSA-N 1 0 279.380 2.432 20 10 CECDRO C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(F)cc1[O-] ZINC000062748445 639782915 /nfs/dbraw/zinc/78/29/15/639782915.db2.gz IRYCZULIEDQAHY-GCVQQVDUSA-N 1 0 252.333 2.452 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062895132 639793551 /nfs/dbraw/zinc/79/35/51/639793551.db2.gz ODUVQZXNWBACSZ-KRWDZBQOSA-N 1 0 289.423 2.101 20 10 CECDRO COc1ccc(O)c(CN2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000063191911 639837545 /nfs/dbraw/zinc/83/75/45/639837545.db2.gz PIVXBQGBGUSJLX-SMDDNHRTSA-N 1 0 264.369 2.103 20 10 CECDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000063191471 639837856 /nfs/dbraw/zinc/83/78/56/639837856.db2.gz SRSSVXUOTVFAAC-CJNGLKHVSA-N 1 0 261.413 2.454 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841745312 639856566 /nfs/dbraw/zinc/85/65/66/639856566.db2.gz XHHWYAKLABWUSS-IUCAKERBSA-N 1 0 270.760 2.221 20 10 CECDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841762980 639860336 /nfs/dbraw/zinc/86/03/36/639860336.db2.gz LFNJDBAZXOAWDZ-HUTHGQBESA-N 1 0 275.801 2.465 20 10 CECDRO O=C1COc2ccc(C[NH2+]Cc3ccccc3O)cc2N1 ZINC000231644815 639870399 /nfs/dbraw/zinc/87/03/99/639870399.db2.gz ZWUUVMLAGKWBLB-UHFFFAOYSA-N 1 0 284.315 2.013 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2C[C@@](C)(O)C2)cc1 ZINC000841892232 639901459 /nfs/dbraw/zinc/90/14/59/639901459.db2.gz ZTHMZKFUWAXLEO-UTSHHVCKSA-N 1 0 260.381 2.269 20 10 CECDRO CCC([NH3+])(CC)CNC(=O)N(C)Cc1ccccc1O ZINC000841951148 639910329 /nfs/dbraw/zinc/91/03/29/639910329.db2.gz FOTHFLVVTFKTBJ-UHFFFAOYSA-N 1 0 279.384 2.051 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@H](C)[NH3+] ZINC000841988210 639916410 /nfs/dbraw/zinc/91/64/10/639916410.db2.gz ZTPRWYSLYMFMJE-LBPRGKRZSA-N 1 0 279.384 2.051 20 10 CECDRO CN(Cc1ccccc1O)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000842007273 639918354 /nfs/dbraw/zinc/91/83/54/639918354.db2.gz XTKHETVFMJSJSE-AWEZNQCLSA-N 1 0 291.395 2.066 20 10 CECDRO CCC[N@H+](CCCNC(C)=O)Cc1ccccc1O ZINC000174372959 639919886 /nfs/dbraw/zinc/91/98/86/639919886.db2.gz SLKIYAIIWUTEFH-UHFFFAOYSA-N 1 0 264.369 2.130 20 10 CECDRO CC(=O)c1cc(F)cc(CN[C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1O ZINC000842476089 640074894 /nfs/dbraw/zinc/07/48/94/640074894.db2.gz GHKPCWVEZFYJPI-HFBDOXOYSA-N 1 0 294.370 2.210 20 10 CECDRO COc1ncncc1C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000842699166 640153962 /nfs/dbraw/zinc/15/39/62/640153962.db2.gz JBZOQXMOBNJYOK-LBPRGKRZSA-N 1 0 286.379 2.402 20 10 CECDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000842751871 640169655 /nfs/dbraw/zinc/16/96/55/640169655.db2.gz AGFJBNKHYOHORB-IAGOWNOFSA-N 1 0 290.407 2.180 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2CO[C@H](C)C2)ccc1OC ZINC000842774510 640177965 /nfs/dbraw/zinc/17/79/65/640177965.db2.gz IHCLPKBWTKZUCU-IUODEOHRSA-N 1 0 279.380 2.499 20 10 CECDRO CC(C)C[C@H](C[NH3+])CC(=O)N(C)c1ccc(N)cc1 ZINC000877074825 650560493 /nfs/dbraw/zinc/56/04/93/650560493.db2.gz SPTAQYIFNXFVGM-LBPRGKRZSA-N 1 0 263.385 2.243 20 10 CECDRO C[NH2+][C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000843044456 640249349 /nfs/dbraw/zinc/24/93/49/640249349.db2.gz CGKHSAWSZSTPTL-RGDDUWESSA-N 1 0 259.397 2.060 20 10 CECDRO Cc1cc(Br)cc(CN2CCC[C@H]([NH3+])C2)c1O ZINC000843043728 640249678 /nfs/dbraw/zinc/24/96/78/640249678.db2.gz FKMPKBJVXROJCH-LBPRGKRZSA-N 1 0 299.212 2.386 20 10 CECDRO CCN(CC)c1ccc(CN2CC[C@H]([NH3+])C2)cc1F ZINC000843046807 640251156 /nfs/dbraw/zinc/25/11/56/640251156.db2.gz CTPKZAGSXCAIEY-ZDUSSCGKSA-N 1 0 265.376 2.205 20 10 CECDRO CCOc1ccc(CN2CCC[C@@H](C)[C@H]2C[NH3+])c(O)c1 ZINC000843051955 640255303 /nfs/dbraw/zinc/25/53/03/640255303.db2.gz NDEPWYXZZKBUHU-IUODEOHRSA-N 1 0 278.396 2.350 20 10 CECDRO CCC[C@H]1C[NH2+]CCN1Cc1cc(OCC)ccc1O ZINC000843058656 640261106 /nfs/dbraw/zinc/26/11/06/640261106.db2.gz ZOSYJVMRTSRCBG-AWEZNQCLSA-N 1 0 278.396 2.365 20 10 CECDRO COc1cc(N(C)C[C@H]2CCC[NH2+]C2)cc(OC)c1OC ZINC000843065121 640265789 /nfs/dbraw/zinc/26/57/89/640265789.db2.gz DIFBTWAVULWSOT-LBPRGKRZSA-N 1 0 294.395 2.148 20 10 CECDRO Oc1ccc(F)cc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843123649 640290127 /nfs/dbraw/zinc/29/01/27/640290127.db2.gz MGACDMVUYKWFNK-HNNXBMFYSA-N 1 0 264.344 2.107 20 10 CECDRO C[C@H](c1cnccn1)N1CCCc2cc(C[NH3+])ccc21 ZINC000843350640 640399248 /nfs/dbraw/zinc/39/92/48/640399248.db2.gz RQILQZOMDYGFRC-GFCCVEGCSA-N 1 0 268.364 2.449 20 10 CECDRO CCC[C@H]1C[NH2+]CCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000843365847 640406745 /nfs/dbraw/zinc/40/67/45/640406745.db2.gz YNRZIKFGCZKZPC-AWEZNQCLSA-N 1 0 294.370 2.308 20 10 CECDRO CC[C@H]([NH3+])C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843486035 640440398 /nfs/dbraw/zinc/44/03/98/640440398.db2.gz OZORYBCGPACTDT-HNNXBMFYSA-N 1 0 277.412 2.227 20 10 CECDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@@H](O)C(F)(F)F ZINC000877126104 650583996 /nfs/dbraw/zinc/58/39/96/650583996.db2.gz FFGWCWVDCUYFCR-ZYHUDNBSSA-N 1 0 277.286 2.492 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)[C@]2(C)CCC[NH2+]2)cc1 ZINC000844173311 640624119 /nfs/dbraw/zinc/62/41/19/640624119.db2.gz TZSLMYWYUCDGBG-KRWDZBQOSA-N 1 0 289.423 2.291 20 10 CECDRO O=C(CCC[NH2+]Cc1cc(Cl)ccc1O)NC1CC1 ZINC000112017128 640806828 /nfs/dbraw/zinc/80/68/28/640806828.db2.gz ZHGATMAZTDQINW-UHFFFAOYSA-N 1 0 282.771 2.194 20 10 CECDRO Cc1cccc(C[NH+]2CCC(C3(O)CC3)CC2)c1O ZINC000846009249 641149322 /nfs/dbraw/zinc/14/93/22/641149322.db2.gz VYJSGMLDAPTXTQ-UHFFFAOYSA-N 1 0 261.365 2.438 20 10 CECDRO OC[C@@]1(C[NH2+]Cc2ccccc2O)CCc2ccccc21 ZINC000846011970 641152047 /nfs/dbraw/zinc/15/20/47/641152047.db2.gz RTWFINLMNDUGBU-SFHVURJKSA-N 1 0 283.371 2.358 20 10 CECDRO CCN1C[C@@H](C[NH2+]Cc2c(O)cccc2Cl)CC1=O ZINC000846094899 641178967 /nfs/dbraw/zinc/17/89/67/641178967.db2.gz UYXPGCANXPXUFD-SNVBAGLBSA-N 1 0 282.771 2.004 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846110815 641186038 /nfs/dbraw/zinc/18/60/38/641186038.db2.gz NZCPDRIXSPPWCA-AWEZNQCLSA-N 1 0 285.771 2.067 20 10 CECDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@H]1C1CC1 ZINC000846122395 641194038 /nfs/dbraw/zinc/19/40/38/641194038.db2.gz IMYMCTYXNPAWDE-LSDHHAIUSA-N 1 0 289.375 2.332 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1O ZINC000846138934 641197603 /nfs/dbraw/zinc/19/76/03/641197603.db2.gz XZDBSUMIARXOAK-MNOVXSKESA-N 1 0 251.326 2.230 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C2CCOCC2)c1O ZINC000846142251 641199481 /nfs/dbraw/zinc/19/94/81/641199481.db2.gz ZBRMUCQQBJKWBA-SNVBAGLBSA-N 1 0 251.326 2.230 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCOC2)c1O ZINC000846143579 641200934 /nfs/dbraw/zinc/20/09/34/641200934.db2.gz JPZBVYHWUHUFLD-VXGBXAGGSA-N 1 0 265.353 2.478 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC[C@H](C)OC)c1O ZINC000846143648 641201024 /nfs/dbraw/zinc/20/10/24/641201024.db2.gz FKXQNPBCDNNDFM-WDEREUQCSA-N 1 0 253.342 2.476 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CCCO)c1O ZINC000846150472 641202813 /nfs/dbraw/zinc/20/28/13/641202813.db2.gz POCPKWMVJCFMJZ-WDEREUQCSA-N 1 0 253.342 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](CCO)C2CC2)c1O ZINC000846152655 641204872 /nfs/dbraw/zinc/20/48/72/641204872.db2.gz BNCMGDGBDYIBSM-ZWNOBZJWSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CC2(OC)CCOCC2)c1O ZINC000846157819 641206513 /nfs/dbraw/zinc/20/65/13/641206513.db2.gz XOGOHHQGWJAEHY-GFCCVEGCSA-N 1 0 295.379 2.247 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](CO)CC(F)F)c1O ZINC000846164129 641209094 /nfs/dbraw/zinc/20/90/94/641209094.db2.gz FPEPPQLHZAGETC-IUCAKERBSA-N 1 0 275.295 2.068 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCc2cnc(C)cn2)c1O ZINC000846168101 641210523 /nfs/dbraw/zinc/21/05/23/641210523.db2.gz GVMLGCDLIWCJLP-LBPRGKRZSA-N 1 0 287.363 2.393 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CO[C@H](C)C2)c1O ZINC000846170714 641211874 /nfs/dbraw/zinc/21/18/74/641211874.db2.gz CKWOSEPATFWGNJ-VWYCJHECSA-N 1 0 251.326 2.229 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H](OC)C2CC2)c1O ZINC000846171457 641212903 /nfs/dbraw/zinc/21/29/03/641212903.db2.gz SUSNBBBUXMYOIB-YGRLFVJLSA-N 1 0 265.353 2.476 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CC[C@@]2(O)CCOC2)c2c1c(F)ccc2O ZINC000846191230 641217839 /nfs/dbraw/zinc/21/78/39/641217839.db2.gz AZCXFLXMQZNNOY-NSODJVPESA-N 1 0 295.354 2.211 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1O ZINC000846205509 641220712 /nfs/dbraw/zinc/22/07/12/641220712.db2.gz HTCFKGFJSBZDRU-NEPJUHHUSA-N 1 0 274.364 2.054 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCCC2=O)c(O)c1 ZINC000846207071 641221937 /nfs/dbraw/zinc/22/19/37/641221937.db2.gz XXTIRHYQWWDMNU-CYBMUJFWSA-N 1 0 276.380 2.282 20 10 CECDRO CCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000846209993 641223140 /nfs/dbraw/zinc/22/31/40/641223140.db2.gz VFSILPSFIRXPDK-UONOGXRCSA-N 1 0 289.423 2.272 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC[C@]2(O)CCCOC2)c(O)c1 ZINC000846212878 641224402 /nfs/dbraw/zinc/22/44/02/641224402.db2.gz NIASVGDXEBVLKQ-CZUORRHYSA-N 1 0 279.380 2.283 20 10 CECDRO COc1ccc(O)c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000179734025 641379785 /nfs/dbraw/zinc/37/97/85/641379785.db2.gz RNOMZMWUBXJFCM-ZDUSSCGKSA-N 1 0 278.396 2.174 20 10 CECDRO C[C@]1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCCS1 ZINC000126479213 650677889 /nfs/dbraw/zinc/67/78/89/650677889.db2.gz MLDOGUGCBDNUCU-CQSZACIVSA-N 1 0 281.377 2.496 20 10 CECDRO OCC1(C[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000184369664 641858949 /nfs/dbraw/zinc/85/89/49/641858949.db2.gz DIGGHTYQVZHOCR-UHFFFAOYSA-N 1 0 255.745 2.298 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000877404088 650708743 /nfs/dbraw/zinc/70/87/43/650708743.db2.gz YFGVUPBIXWHGNT-AWEZNQCLSA-N 1 0 279.380 2.326 20 10 CECDRO CO[C@@](C)(CO)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000848556423 642051688 /nfs/dbraw/zinc/05/16/88/642051688.db2.gz XNHGEMIJDDMGJW-TVQRCGJNSA-N 1 0 273.760 2.094 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccccc1O ZINC000848562235 642055001 /nfs/dbraw/zinc/05/50/01/642055001.db2.gz BNUWSBBYQJDHMQ-WCQYABFASA-N 1 0 286.379 2.119 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)c(O)c1 ZINC000848564419 642056180 /nfs/dbraw/zinc/05/61/80/642056180.db2.gz NDFNKNCBLHAHFJ-NEPJUHHUSA-N 1 0 286.379 2.037 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000848565745 642056557 /nfs/dbraw/zinc/05/65/57/642056557.db2.gz LICGWNUYEIAWTP-LLVKDONJSA-N 1 0 295.379 2.468 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)c1 ZINC000848565220 642057024 /nfs/dbraw/zinc/05/70/24/642057024.db2.gz VEYJTJQDHDLMPD-RYUDHWBXSA-N 1 0 286.379 2.037 20 10 CECDRO COc1cc(O)c(C[N@@H+]2C[C@@H](C)[C@@H]2C)cc1OC ZINC000816648691 642162237 /nfs/dbraw/zinc/16/22/37/642162237.db2.gz NOZVOTPBVISFNM-ZJUUUORDSA-N 1 0 251.326 2.250 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H]2CCCN2CCOC)c1O ZINC000848894946 642175885 /nfs/dbraw/zinc/17/58/85/642175885.db2.gz IPNDUSXXSLGZON-INIZCTEOSA-N 1 0 292.423 2.155 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)c1O ZINC000848897683 642176569 /nfs/dbraw/zinc/17/65/69/642176569.db2.gz SNFGTDKNLAHRDA-GXTWGEPZSA-N 1 0 276.380 2.088 20 10 CECDRO CCc1cccc(C[NH2+]CCN2CC[C@@H](C)C2)c1O ZINC000848899753 642178903 /nfs/dbraw/zinc/17/89/03/642178903.db2.gz JWPIODFXSKYCSN-CYBMUJFWSA-N 1 0 262.397 2.386 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)c1O ZINC000848904262 642181308 /nfs/dbraw/zinc/18/13/08/642181308.db2.gz OSBXTBHFYIUPQA-FZMZJTMJSA-N 1 0 276.380 2.040 20 10 CECDRO CCc1cccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1O ZINC000848918973 642192182 /nfs/dbraw/zinc/19/21/82/642192182.db2.gz CQKIJYVZLOKILL-KRWDZBQOSA-N 1 0 293.407 2.222 20 10 CECDRO NC(=O)C1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000083552746 642205737 /nfs/dbraw/zinc/20/57/37/642205737.db2.gz VBLMTPUYKPDIJW-UHFFFAOYSA-N 1 0 282.771 2.179 20 10 CECDRO CN(C)c1ccc(CNC(=[NH2+])NC2CCC2)cc1F ZINC000848998925 642217875 /nfs/dbraw/zinc/21/78/75/642217875.db2.gz HIRSUBNVSCDHKJ-UHFFFAOYSA-N 1 0 264.348 2.058 20 10 CECDRO CCN(CC)C(=[NH2+])NCc1cc(Cl)ccc1O ZINC000849050337 642258397 /nfs/dbraw/zinc/25/83/97/642258397.db2.gz ZVNJLVVULJTVIK-UHFFFAOYSA-N 1 0 255.749 2.412 20 10 CECDRO COc1ccc(CNC(=[NH2+])NCCc2ccccc2)c(O)c1 ZINC000849095308 642261551 /nfs/dbraw/zinc/26/15/51/642261551.db2.gz RNPUYDMCKDACPM-UHFFFAOYSA-N 1 0 299.374 2.257 20 10 CECDRO c1cc(N2CCCC2)ccc1CNC1=[NH+]CCCCN1 ZINC000849215604 642285991 /nfs/dbraw/zinc/28/59/91/642285991.db2.gz SQXSDTIDRDGUCB-UHFFFAOYSA-N 1 0 272.396 2.116 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c(O)c1 ZINC000186185436 642310241 /nfs/dbraw/zinc/31/02/41/642310241.db2.gz JCJYWDJYYXNYGW-GFCCVEGCSA-N 1 0 297.420 2.176 20 10 CECDRO COCC[C@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849321571 642327154 /nfs/dbraw/zinc/32/71/54/642327154.db2.gz IBSRQBPZOYQTFW-KBPBESRZSA-N 1 0 278.396 2.289 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000877492946 650749271 /nfs/dbraw/zinc/74/92/71/650749271.db2.gz YRDUUSKLNINFOR-KRWDZBQOSA-N 1 0 291.391 2.471 20 10 CECDRO CCOC(=O)C1(C)CC([NH2+]Cc2ccc(OC)cc2O)C1 ZINC000877494561 650750204 /nfs/dbraw/zinc/75/02/04/650750204.db2.gz YHCWXNWYTBAGRS-UHFFFAOYSA-N 1 0 293.363 2.222 20 10 CECDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877530925 650770565 /nfs/dbraw/zinc/77/05/65/650770565.db2.gz ZHXMNPPZZQTHBY-OAHLLOKOSA-N 1 0 290.407 2.439 20 10 CECDRO CO[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H]1CCOC1 ZINC000850342490 642673355 /nfs/dbraw/zinc/67/33/55/642673355.db2.gz KXOCBXMDPKXCTM-BBRMVZONSA-N 1 0 296.386 2.033 20 10 CECDRO CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)[C@H]1CCOC1 ZINC000850344527 642674174 /nfs/dbraw/zinc/67/41/74/642674174.db2.gz LSQGPMCNULBLMC-HZMBPMFUSA-N 1 0 285.771 2.187 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccn(C)c3)C2)cc1 ZINC000850347046 642675239 /nfs/dbraw/zinc/67/52/39/642675239.db2.gz MOMGKMXOGGOEBA-OAHLLOKOSA-N 1 0 285.391 2.402 20 10 CECDRO CC[C@@H](COCC1CC1)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000850350165 642676339 /nfs/dbraw/zinc/67/63/39/642676339.db2.gz PAUIRECFXDNKAT-ZDUSSCGKSA-N 1 0 293.363 2.416 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H]2Cc3ccccc3N(C)C2=O)c1 ZINC000850352677 642678736 /nfs/dbraw/zinc/67/87/36/642678736.db2.gz DYSDYZPCWXOROO-HNNXBMFYSA-N 1 0 296.370 2.378 20 10 CECDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000850356127 642679752 /nfs/dbraw/zinc/67/97/52/642679752.db2.gz NKIYFLVIUAACNS-AVYPCKFXSA-N 1 0 293.432 2.401 20 10 CECDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000850383133 642693024 /nfs/dbraw/zinc/69/30/24/642693024.db2.gz LFFJKAIVWFQKNN-TZMCWYRMSA-N 1 0 266.360 2.406 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](OC)[C@H]2CCOC2)c1 ZINC000850484215 642729113 /nfs/dbraw/zinc/72/91/13/642729113.db2.gz FIYNEEPBISZILD-MKBNYLNASA-N 1 0 295.379 2.103 20 10 CECDRO CO[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)[C@@H]1CCOC1 ZINC000850485098 642729202 /nfs/dbraw/zinc/72/92/02/642729202.db2.gz XESFUPZXZCFOKE-FIXISWKDSA-N 1 0 283.343 2.233 20 10 CECDRO COC[C@@H](CC[NH2+][C@H](C)c1cccc(OC)c1O)OC ZINC000850486310 642729982 /nfs/dbraw/zinc/72/99/82/642729982.db2.gz RWTAVMMPIZXING-VXGBXAGGSA-N 1 0 283.368 2.103 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](CO)C2CCC2)c1O ZINC000850487224 642730098 /nfs/dbraw/zinc/73/00/98/642730098.db2.gz GRLVGLBFOHHOPW-GXFFZTMASA-N 1 0 265.353 2.212 20 10 CECDRO C[C@@H]([NH2+]C/C=C\CO)c1ccc(Br)cc1O ZINC000850507910 642735198 /nfs/dbraw/zinc/73/51/98/642735198.db2.gz IXKQIKFBZNZGSM-PKRMOACSSA-N 1 0 286.169 2.354 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@H](O)C(F)F ZINC000877561176 650789523 /nfs/dbraw/zinc/78/95/23/650789523.db2.gz IICOKYDCMGLCEL-JQWIXIFHSA-N 1 0 259.296 2.195 20 10 CECDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(C)cc1O)C(C)C ZINC000877563242 650791232 /nfs/dbraw/zinc/79/12/32/650791232.db2.gz JCZPDDPWLNIJFJ-HNNXBMFYSA-N 1 0 278.396 2.293 20 10 CECDRO c1nc2c([nH]1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCCO3)CC2 ZINC000922140250 642902333 /nfs/dbraw/zinc/90/23/33/642902333.db2.gz VIETYSGFMXPGIU-AWEZNQCLSA-N 1 0 283.375 2.382 20 10 CECDRO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccccc1O ZINC000109769228 642925052 /nfs/dbraw/zinc/92/50/52/642925052.db2.gz RRFDOUKMRIGHEQ-LLVKDONJSA-N 1 0 264.369 2.127 20 10 CECDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCC2 ZINC000922249017 642980006 /nfs/dbraw/zinc/98/00/06/642980006.db2.gz MJQRSZLBYXPCSQ-JKSUJKDBSA-N 1 0 273.376 2.405 20 10 CECDRO COc1cc(C[NH2+]C[C@@H]2CCN2C)c(O)c(C(C)(C)C)c1 ZINC000922574702 643133025 /nfs/dbraw/zinc/13/30/25/643133025.db2.gz QAPZDBAXJCNTRF-ZDUSSCGKSA-N 1 0 292.423 2.492 20 10 CECDRO O=C1C[C@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)CN1 ZINC000851771602 643154112 /nfs/dbraw/zinc/15/41/12/643154112.db2.gz JZFJWXYFHLNHLL-ZDUSSCGKSA-N 1 0 288.391 2.273 20 10 CECDRO Cc1cc(CC[NH2+]Cc2cc(C)c(C)cc2O)nn1C ZINC000922687283 643203627 /nfs/dbraw/zinc/20/36/27/643203627.db2.gz AEDPNNWXMCTDNI-UHFFFAOYSA-N 1 0 273.380 2.383 20 10 CECDRO COCC1([NH2+]Cc2ccc(N(C)C)c(C)c2)CCOCC1 ZINC000852089075 643295526 /nfs/dbraw/zinc/29/55/26/643295526.db2.gz CDDPUUKLRIEIAG-UHFFFAOYSA-N 1 0 292.423 2.346 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2cncc(O)c2)cc1 ZINC000922976778 643492027 /nfs/dbraw/zinc/49/20/27/643492027.db2.gz GDWXFKJEEXFUCC-UHFFFAOYSA-N 1 0 257.337 2.143 20 10 CECDRO OC[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000923005146 643509606 /nfs/dbraw/zinc/50/96/06/643509606.db2.gz JUQOPXLZBQUTPO-KYZUINATSA-N 1 0 286.169 2.015 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)C=C1CC[NH2+]CC1 ZINC000852824657 643566732 /nfs/dbraw/zinc/56/67/32/643566732.db2.gz DGHBPLSMXUFRSN-UHFFFAOYSA-N 1 0 288.391 2.441 20 10 CECDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000852838553 643571248 /nfs/dbraw/zinc/57/12/48/643571248.db2.gz JWXAAGYRAFEZIP-CQSZACIVSA-N 1 0 289.423 2.048 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)CC2([NH3+])CC2)cc1F ZINC000852867496 643582643 /nfs/dbraw/zinc/58/26/43/643582643.db2.gz WIOBBAQQPPICPG-UHFFFAOYSA-N 1 0 293.386 2.170 20 10 CECDRO COC(=O)c1coc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877699502 650857347 /nfs/dbraw/zinc/85/73/47/650857347.db2.gz NAXDLXFZHKTDSZ-UHFFFAOYSA-N 1 0 275.304 2.370 20 10 CECDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(N(C)C)c(C)c1 ZINC000923295449 643647439 /nfs/dbraw/zinc/64/74/39/643647439.db2.gz WXUAQEXEPOIIOC-OAHLLOKOSA-N 1 0 261.413 2.245 20 10 CECDRO Cn1cc(CCC[N@@H+]2Cc3cccc(O)c3C2)cn1 ZINC000877703015 650859308 /nfs/dbraw/zinc/85/93/08/650859308.db2.gz OPNZHYGHIBELDE-UHFFFAOYSA-N 1 0 257.337 2.074 20 10 CECDRO COc1cc(O)c(C[N@H+](C)CC2=CCCOC2)cc1OC ZINC000853562246 643813051 /nfs/dbraw/zinc/81/30/51/643813051.db2.gz HOKVWCQNUITSBS-UHFFFAOYSA-N 1 0 293.363 2.188 20 10 CECDRO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000853586983 643824039 /nfs/dbraw/zinc/82/40/39/643824039.db2.gz CJVYXJKYQWTKRY-UONOGXRCSA-N 1 0 284.359 2.409 20 10 CECDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1c(C)cccc1O)C2 ZINC000877724983 650873131 /nfs/dbraw/zinc/87/31/31/650873131.db2.gz NTBCLYVVIMSVPA-WQGACYEGSA-N 1 0 275.348 2.132 20 10 CECDRO CCCN(Cc1cnn(CC)n1)c1ccc(C[NH3+])cc1 ZINC000839058411 644134290 /nfs/dbraw/zinc/13/42/90/644134290.db2.gz PATDDEBKCQBQSR-UHFFFAOYSA-N 1 0 273.384 2.173 20 10 CECDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000839147560 644157935 /nfs/dbraw/zinc/15/79/35/644157935.db2.gz NALVBGJXILKDAS-TXEJJXNPSA-N 1 0 279.336 2.167 20 10 CECDRO COc1ccc([C@@H](CO)C[NH2+]Cc2ccccc2O)cc1 ZINC000839185310 644182746 /nfs/dbraw/zinc/18/27/46/644182746.db2.gz SHUCDBWBDPBQCB-OAHLLOKOSA-N 1 0 287.359 2.267 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000839187828 644184032 /nfs/dbraw/zinc/18/40/32/644184032.db2.gz PFEXZBXSBYCHJX-DOMZBBRYSA-N 1 0 277.364 2.402 20 10 CECDRO C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000839495662 644240800 /nfs/dbraw/zinc/24/08/00/644240800.db2.gz UALSJOLRPLHLDJ-KGLIPLIRSA-N 1 0 289.423 2.099 20 10 CECDRO Oc1c(C[NH2+]C[C@H]2C[C@H](O)C2)ccc2ccccc21 ZINC000877811470 650918209 /nfs/dbraw/zinc/91/82/09/650918209.db2.gz LJKAEFAPFVAXQG-YEORSEQZSA-N 1 0 257.333 2.406 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c1 ZINC000877835286 650928123 /nfs/dbraw/zinc/92/81/23/650928123.db2.gz NNOUCKIYIREOIZ-CYBMUJFWSA-N 1 0 279.380 2.384 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCNc2cnccn2)c1 ZINC000756645142 644678152 /nfs/dbraw/zinc/67/81/52/644678152.db2.gz DUXHFEYFMCGRHS-GFCCVEGCSA-N 1 0 272.352 2.253 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H]2CN(C)CCO2)c1 ZINC000756757754 644689518 /nfs/dbraw/zinc/68/95/18/644689518.db2.gz DGCXRHKQJOHDKG-WOSRLPQWSA-N 1 0 278.396 2.070 20 10 CECDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2)c2c1c(F)ccc2O ZINC000756768102 644690484 /nfs/dbraw/zinc/69/04/84/644690484.db2.gz JKRBQEIVVNALIN-YWVKMMECSA-N 1 0 251.301 2.458 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CCN2CCC2)c2c1c(F)ccc2O ZINC000756769924 644690616 /nfs/dbraw/zinc/69/06/16/644690616.db2.gz RVRHNZKEOVTUJO-JQWIXIFHSA-N 1 0 264.344 2.375 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756782063 644691380 /nfs/dbraw/zinc/69/13/80/644691380.db2.gz MCNPKYNMZFZRJU-GXSJLCMTSA-N 1 0 294.370 2.441 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(N(C)C)n2)c1 ZINC000756787970 644692790 /nfs/dbraw/zinc/69/27/90/644692790.db2.gz ACXHHMRONNFFDE-LBPRGKRZSA-N 1 0 286.379 2.407 20 10 CECDRO Cc1cc(C[NH2+]Cc2cc(C)c(C)cc2O)ncn1 ZINC000756989749 644715855 /nfs/dbraw/zinc/71/58/55/644715855.db2.gz FXAIWWPKLLCOBU-UHFFFAOYSA-N 1 0 257.337 2.397 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCNC2=O)c(O)c1C ZINC000840825401 644764396 /nfs/dbraw/zinc/76/43/96/644764396.db2.gz GEZJQOZQZZGQKD-QWHCGFSZSA-N 1 0 276.380 2.186 20 10 CECDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000839672809 644780341 /nfs/dbraw/zinc/78/03/41/644780341.db2.gz HOXTWIPCUQONJA-HIFRSBDPSA-N 1 0 262.397 2.345 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C2CCOCC2)c(O)c1 ZINC000757660051 644832990 /nfs/dbraw/zinc/83/29/90/644832990.db2.gz ZFYCLKMMDBKIJW-SWLSCSKDSA-N 1 0 279.380 2.139 20 10 CECDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(OC)ccc1O ZINC000757918799 644856978 /nfs/dbraw/zinc/85/69/78/644856978.db2.gz GDGCSRFXRHNORV-HNNXBMFYSA-N 1 0 281.352 2.222 20 10 CECDRO CCOc1ccc(CN2C[C@H]3CCC[C@]3([NH3+])C2)c(O)c1 ZINC000857226740 644859663 /nfs/dbraw/zinc/85/96/63/644859663.db2.gz YJHPMFGYWLOCHZ-CJNGLKHVSA-N 1 0 276.380 2.104 20 10 CECDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858093565 645059188 /nfs/dbraw/zinc/05/91/88/645059188.db2.gz BHOXURUHGYHBQT-NSHDSACASA-N 1 0 294.349 2.406 20 10 CECDRO CN(C)c1cc(F)c(C[NH2+]CCn2cccn2)cc1F ZINC000858105134 645061853 /nfs/dbraw/zinc/06/18/53/645061853.db2.gz JWDFOGNETFUDDW-UHFFFAOYSA-N 1 0 280.322 2.017 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)C[C@H]2CCOC2)c1O ZINC000759836821 645081026 /nfs/dbraw/zinc/08/10/26/645081026.db2.gz KNKHPZKQBHZLJQ-VXGBXAGGSA-N 1 0 265.353 2.306 20 10 CECDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cc(C)ccc1O ZINC000858194675 645086298 /nfs/dbraw/zinc/08/62/98/645086298.db2.gz JOOGJCCSUGEPSO-CYBMUJFWSA-N 1 0 293.411 2.230 20 10 CECDRO COc1cc(C[NH2+]Cc2cnn[nH]2)c(O)c(C(C)(C)C)c1 ZINC000858196979 645086460 /nfs/dbraw/zinc/08/64/60/645086460.db2.gz AZKGRUNCISUROZ-UHFFFAOYSA-N 1 0 290.367 2.106 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2COCCN2C)c1O ZINC000858523784 645190887 /nfs/dbraw/zinc/19/08/87/645190887.db2.gz UYDFZGJFTHPRIQ-AAEUAGOBSA-N 1 0 298.814 2.335 20 10 CECDRO C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Cl)ccc1O ZINC000858522537 645191021 /nfs/dbraw/zinc/19/10/21/645191021.db2.gz FTRKZNCWEDNIHR-ZYHUDNBSSA-N 1 0 284.787 2.027 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)c2c1c(F)ccc2O ZINC000858545812 645197236 /nfs/dbraw/zinc/19/72/36/645197236.db2.gz VHCGOZYDJTZSCO-UXCLJVHYSA-N 1 0 265.328 2.440 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)c1O ZINC000858547242 645197319 /nfs/dbraw/zinc/19/73/19/645197319.db2.gz DWJFXHLMSOVNAZ-WCQYABFASA-N 1 0 298.814 2.071 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOC2CCOCC2)c1 ZINC000859232156 645432072 /nfs/dbraw/zinc/43/20/72/645432072.db2.gz FVHPAVYKJNQBIS-GFCCVEGCSA-N 1 0 295.379 2.247 20 10 CECDRO CN(C)c1ccc(CN2CC[NH+](CCCF)CC2)cc1 ZINC000860007782 645674169 /nfs/dbraw/zinc/67/41/69/645674169.db2.gz FVYZTWMRBQDDCY-UHFFFAOYSA-N 1 0 279.403 2.230 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1O ZINC000860129396 645707497 /nfs/dbraw/zinc/70/74/97/645707497.db2.gz PTYZZRKJJYLMBY-COLVAYQJSA-N 1 0 293.338 2.079 20 10 CECDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000765796072 645810572 /nfs/dbraw/zinc/81/05/72/645810572.db2.gz MLZXRRWJIJIUKC-UONOGXRCSA-N 1 0 276.380 2.013 20 10 CECDRO [NH2+]=C(NCc1cc(Cl)ccc1O)NCC1CC1 ZINC000887363388 645850547 /nfs/dbraw/zinc/85/05/47/645850547.db2.gz VNDIYYJEYJCRMN-UHFFFAOYSA-N 1 0 253.733 2.070 20 10 CECDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C(C1CC1)C1CC1 ZINC000768444646 646124171 /nfs/dbraw/zinc/12/41/71/646124171.db2.gz MUGAFHVWICFNIR-HNNXBMFYSA-N 1 0 289.375 2.438 20 10 CECDRO CCN(CC)c1ccc(CNC(=O)N(C)C[C@H](C)[NH3+])cc1 ZINC000861562089 646207473 /nfs/dbraw/zinc/20/74/73/646207473.db2.gz SGDBIZVYSQPMPK-ZDUSSCGKSA-N 1 0 292.427 2.021 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@@H](CO)Cc2ccco2)c1 ZINC000769420679 646264173 /nfs/dbraw/zinc/26/41/73/646264173.db2.gz STUQFBYYNJMGHS-ZDUSSCGKSA-N 1 0 275.348 2.234 20 10 CECDRO COc1cccc(O)c1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000769485396 646276426 /nfs/dbraw/zinc/27/64/26/646276426.db2.gz QMRCDDPAYMSTNH-CHWSQXEVSA-N 1 0 278.396 2.315 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000769517198 646281266 /nfs/dbraw/zinc/28/12/66/646281266.db2.gz ZXLJKGMAUNJUFW-CHWSQXEVSA-N 1 0 277.364 2.259 20 10 CECDRO COc1ccc(C[NH2+]Cc2nc(C)c(C)[nH]2)c(O)c1 ZINC000862353666 646408096 /nfs/dbraw/zinc/40/80/96/646408096.db2.gz WCQFELPVAQHHAE-UHFFFAOYSA-N 1 0 261.325 2.031 20 10 CECDRO CO[C@H](C)C[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862366524 646416603 /nfs/dbraw/zinc/41/66/03/646416603.db2.gz RTMCLWQJMSTRDK-SNVBAGLBSA-N 1 0 272.339 2.498 20 10 CECDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(N2CCOCC2)cc1 ZINC000862388259 646431118 /nfs/dbraw/zinc/43/11/18/646431118.db2.gz YPYYVUKWPIIELI-HNNXBMFYSA-N 1 0 292.423 2.116 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@H](O)c2cccnc2)cc1F ZINC000771981381 646580636 /nfs/dbraw/zinc/58/06/36/646580636.db2.gz VVNKTSDRZJKMGR-INIZCTEOSA-N 1 0 289.354 2.110 20 10 CECDRO CCOc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000772600557 646647656 /nfs/dbraw/zinc/64/76/56/646647656.db2.gz OOQQBHOWXUAIGF-VXGBXAGGSA-N 1 0 265.353 2.400 20 10 CECDRO CCOc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC000772600555 646648001 /nfs/dbraw/zinc/64/80/01/646648001.db2.gz OOQQBHOWXUAIGF-RYUDHWBXSA-N 1 0 265.353 2.400 20 10 CECDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(N(C)C)cc1 ZINC000773071998 646702882 /nfs/dbraw/zinc/70/28/82/646702882.db2.gz MRNNJCUXHWELQO-GRDNDAEWSA-N 1 0 291.439 2.122 20 10 CECDRO CCC[N@H+](CC(=O)N(C)C)Cc1ccc(N(C)CC)cc1 ZINC000773745371 646771965 /nfs/dbraw/zinc/77/19/65/646771965.db2.gz BGUOVMFPWLODNH-UHFFFAOYSA-N 1 0 291.439 2.443 20 10 CECDRO COC(=O)c1cccc(C[N@H+](C)Cc2ccccc2O)n1 ZINC000773775307 646775553 /nfs/dbraw/zinc/77/55/53/646775553.db2.gz YVNJOQRZEZHPRH-UHFFFAOYSA-N 1 0 286.331 2.206 20 10 CECDRO C[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccccc1O ZINC000775130650 646926017 /nfs/dbraw/zinc/92/60/17/646926017.db2.gz NPBPFTHKUUMYJL-LBPRGKRZSA-N 1 0 295.342 2.251 20 10 CECDRO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccccc1O ZINC000775137397 646926047 /nfs/dbraw/zinc/92/60/47/646926047.db2.gz UDGBMEDYBFVUQI-NSHDSACASA-N 1 0 262.353 2.102 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2OCCCO2)c1 ZINC000775372704 646946383 /nfs/dbraw/zinc/94/63/83/646946383.db2.gz GPFMSMCVTPMCQS-LLVKDONJSA-N 1 0 281.352 2.205 20 10 CECDRO C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(N(C)C)cc1 ZINC000775411236 646951783 /nfs/dbraw/zinc/95/17/83/646951783.db2.gz PPRLNJGGBUTUMT-ZDUSSCGKSA-N 1 0 289.423 2.272 20 10 CECDRO CC[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccccc1O ZINC000775501094 646960676 /nfs/dbraw/zinc/96/06/76/646960676.db2.gz BRXWFASMBSCOTI-UKRRQHHQSA-N 1 0 278.396 2.154 20 10 CECDRO CC[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccccc1O ZINC000775503359 646960910 /nfs/dbraw/zinc/96/09/10/646960910.db2.gz GHPDAMJJNXIOBG-DZGCQCFKSA-N 1 0 279.380 2.486 20 10 CECDRO CC[C@@H]([NH2+][C@@H](C)COCCOC)c1ccccc1O ZINC000775527213 646963012 /nfs/dbraw/zinc/96/30/12/646963012.db2.gz PCOVTIFEBZXSBY-GXTWGEPZSA-N 1 0 267.369 2.484 20 10 CECDRO CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000775586845 646969677 /nfs/dbraw/zinc/96/96/77/646969677.db2.gz PRTAFHCSDOPOCE-MWLCHTKSSA-N 1 0 280.343 2.148 20 10 CECDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000775642834 646974955 /nfs/dbraw/zinc/97/49/55/646974955.db2.gz PCYLUEANKFRXMR-AAEUAGOBSA-N 1 0 295.379 2.409 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC2(C)C)cc1OC ZINC000775703711 646982447 /nfs/dbraw/zinc/98/24/47/646982447.db2.gz VUPXNIOTIKUUJR-UHFFFAOYSA-N 1 0 251.326 2.394 20 10 CECDRO C[C@@H]([NH2+]CC(=O)NCC1CCC1)c1ccc(N(C)C)cc1 ZINC000775832016 646997294 /nfs/dbraw/zinc/99/72/94/646997294.db2.gz WHZLIWICJBHNMI-CYBMUJFWSA-N 1 0 289.423 2.320 20 10 CECDRO CCC(CC)NC(=[NH2+])NCc1cccc(OC)c1O ZINC000864457478 647012400 /nfs/dbraw/zinc/01/24/00/647012400.db2.gz TZXYBRNPCWIDKD-UHFFFAOYSA-N 1 0 265.357 2.203 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000775983065 647012791 /nfs/dbraw/zinc/01/27/91/647012791.db2.gz ARUCPGYTYIQZPG-QWHCGFSZSA-N 1 0 278.396 2.315 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)c(O)c1 ZINC000775981509 647012806 /nfs/dbraw/zinc/01/28/06/647012806.db2.gz QXZNMJNIKLRUMQ-STQMWFEESA-N 1 0 278.396 2.315 20 10 CECDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCc1cc(Br)ccc1O ZINC000864467959 647022083 /nfs/dbraw/zinc/02/20/83/647022083.db2.gz CTVOICJMDQRHMR-GMSGAONNSA-N 1 0 298.184 2.177 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)cc1OC ZINC000776231889 647040479 /nfs/dbraw/zinc/04/04/79/647040479.db2.gz PSBQBCSHOKBXAW-LSDHHAIUSA-N 1 0 295.379 2.313 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c(O)c1 ZINC000778216192 647211562 /nfs/dbraw/zinc/21/15/62/647211562.db2.gz KDVLONQKLHPRFG-IUODEOHRSA-N 1 0 279.380 2.432 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000778216488 647211832 /nfs/dbraw/zinc/21/18/32/647211832.db2.gz OSOQNJZAKWYOBM-AAEUAGOBSA-N 1 0 265.353 2.042 20 10 CECDRO CC(=O)NCC1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000865442586 647295423 /nfs/dbraw/zinc/29/54/23/647295423.db2.gz OUPZQRGFGPSLSP-UHFFFAOYSA-N 1 0 276.380 2.177 20 10 CECDRO C[C@H](CCO)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000779342835 647314469 /nfs/dbraw/zinc/31/44/69/647314469.db2.gz TUWMGVUZCRRLBS-CYBMUJFWSA-N 1 0 280.437 2.100 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccc(=O)[nH]c3)C2)cc1 ZINC000865621988 647392078 /nfs/dbraw/zinc/39/20/78/647392078.db2.gz IDSAVQIIKGNECU-CQSZACIVSA-N 1 0 299.374 2.164 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@@H](O)C(F)(F)F ZINC000865712468 647435222 /nfs/dbraw/zinc/43/52/22/647435222.db2.gz YHSMYVMMLVPYEX-PRHODGIISA-N 1 0 294.292 2.293 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c1O ZINC000865754667 647452963 /nfs/dbraw/zinc/45/29/63/647452963.db2.gz ZFNCYHCPWBABBR-RKDXNWHRSA-N 1 0 261.243 2.441 20 10 CECDRO COc1cc(C[N@@H+]2CCOCC3(CC3)C2)c(O)cc1C ZINC000782296576 647610126 /nfs/dbraw/zinc/61/01/26/647610126.db2.gz MUDRTVZYEOGKHB-UHFFFAOYSA-N 1 0 277.364 2.322 20 10 CECDRO OCC[N@H+](Cc1cc(Cl)ccc1O)C1CCOCC1 ZINC000783716784 647750669 /nfs/dbraw/zinc/75/06/69/647750669.db2.gz AWLMCYHFVWKLKV-UHFFFAOYSA-N 1 0 285.771 2.019 20 10 CECDRO C[C@@H]1OCC[C@@H]1CN1CCCc2cc(C[NH3+])ccc21 ZINC000866659936 647858691 /nfs/dbraw/zinc/85/86/91/647858691.db2.gz YGJPNOWMWWNNAY-SWLSCSKDSA-N 1 0 260.381 2.323 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000787421823 648107747 /nfs/dbraw/zinc/10/77/47/648107747.db2.gz XFPYCGRKSXQSCV-AAEUAGOBSA-N 1 0 294.370 2.275 20 10 CECDRO CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000788526317 648199313 /nfs/dbraw/zinc/19/93/13/648199313.db2.gz PQKYTTPMNVUAIT-INIZCTEOSA-N 1 0 299.422 2.447 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@]2(C)CO)cc1F ZINC000789557540 648316823 /nfs/dbraw/zinc/31/68/23/648316823.db2.gz KCBAPFIPRUPXSH-HNNXBMFYSA-N 1 0 266.360 2.239 20 10 CECDRO COc1cccc(O)c1C[NH2+]Cc1cnc2n1CCCC2 ZINC000790637079 648437021 /nfs/dbraw/zinc/43/70/21/648437021.db2.gz GWSUZERZFZSOGI-UHFFFAOYSA-N 1 0 287.363 2.223 20 10 CECDRO OCC1CCN(c2ccc(C[NH2+]CC3(F)CC3)cc2)CC1 ZINC000792929167 648689009 /nfs/dbraw/zinc/68/90/09/648689009.db2.gz ATIUYGJJNZENGA-UHFFFAOYSA-N 1 0 292.398 2.487 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]C[C@]2(OC)CCOC2)cc1 ZINC000122997820 648722011 /nfs/dbraw/zinc/72/20/11/648722011.db2.gz HAPOXFSVDVWTIK-QGZVFWFLSA-N 1 0 292.423 2.428 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)CCn2cccn2)c(O)c1 ZINC000793388511 648749219 /nfs/dbraw/zinc/74/92/19/648749219.db2.gz PFAMTCCWAAMACP-GFCCVEGCSA-N 1 0 275.352 2.166 20 10 CECDRO COc1ccc(C[NH2+]Cc2cccc3nccn32)c(O)c1 ZINC000793387161 648749449 /nfs/dbraw/zinc/74/94/49/648749449.db2.gz AELHHFBTKNKHGL-UHFFFAOYSA-N 1 0 283.331 2.338 20 10 CECDRO CC(C)([NH2+]Cc1cc(F)ccc1O)C(=O)N1CCCC1 ZINC000793396362 648750552 /nfs/dbraw/zinc/75/05/52/648750552.db2.gz XEPWIJXMWHPOMX-UHFFFAOYSA-N 1 0 280.343 2.022 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC2(OC)CCOCC2)c1 ZINC000123120451 648797600 /nfs/dbraw/zinc/79/76/00/648797600.db2.gz CIKUWJOJFIBNAY-UHFFFAOYSA-N 1 0 295.379 2.076 20 10 CECDRO C[C@@H](C(=O)N1Cc2cccc(O)c2C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000871200770 649030055 /nfs/dbraw/zinc/03/00/55/649030055.db2.gz IPBRDOJBFMDAEM-UPJWGTAASA-N 1 0 288.391 2.496 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2=O)c1O ZINC000872113168 649281821 /nfs/dbraw/zinc/28/18/21/649281821.db2.gz MSEUUERGRHHXIP-VXGBXAGGSA-N 1 0 293.363 2.395 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1O ZINC000872266163 649333750 /nfs/dbraw/zinc/33/37/50/649333750.db2.gz ALQMWJRSNAVHPP-TXEJJXNPSA-N 1 0 267.756 2.432 20 10 CECDRO CSC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000872627398 649444688 /nfs/dbraw/zinc/44/46/88/649444688.db2.gz BWLQDHRJLHYELM-CQSZACIVSA-N 1 0 295.404 2.145 20 10 CECDRO CSC1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000872627731 649444695 /nfs/dbraw/zinc/44/46/95/649444695.db2.gz WAKDAMOPFNIDKX-UHFFFAOYSA-N 1 0 281.377 2.448 20 10 CECDRO Oc1cc2c(cc1C[NH2+]C[C@@H]1C[C@H]3CCC[C@H]3O1)OCO2 ZINC000873156929 649574607 /nfs/dbraw/zinc/57/46/07/649574607.db2.gz OVIZPIVZNQJYQO-SCDSUCTJSA-N 1 0 291.347 2.168 20 10 CECDRO O=C1OCC[C@H]1CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000873162811 649576256 /nfs/dbraw/zinc/57/62/56/649576256.db2.gz OUYIJJHHHYOUHK-CYBMUJFWSA-N 1 0 275.348 2.054 20 10 CECDRO CCOc1cccc(CN[C@@]23CCC[C@H]2[NH2+]CC3)c1O ZINC000873230014 649601231 /nfs/dbraw/zinc/60/12/31/649601231.db2.gz KWGDYYVHESDAQA-GDBMZVCRSA-N 1 0 276.380 2.165 20 10 CECDRO CN(C)c1ccc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)cc1F ZINC000873230057 649601580 /nfs/dbraw/zinc/60/15/80/649601580.db2.gz LPTXTRAYQKUUQJ-JKSUJKDBSA-N 1 0 277.387 2.266 20 10 CECDRO C[C@@H]([NH2+]C[C@H]1CCc2ncnn21)c1ccc(N(C)C)cc1 ZINC000878454346 651100949 /nfs/dbraw/zinc/10/09/49/651100949.db2.gz CDMFWTQEPNEAHU-IUODEOHRSA-N 1 0 285.395 2.182 20 10 CECDRO C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccccc1O ZINC000879649456 651335184 /nfs/dbraw/zinc/33/51/84/651335184.db2.gz UHBPITKWCFLNLB-BDAKNGLRSA-N 1 0 263.259 2.356 20 10 CECDRO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649362 651335229 /nfs/dbraw/zinc/33/52/29/651335229.db2.gz RDYNGXPJHOKLML-NEPJUHHUSA-N 1 0 264.369 2.348 20 10 CECDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NC1CCCC1 ZINC000879648966 651335254 /nfs/dbraw/zinc/33/52/54/651335254.db2.gz HQTIRXZHCYGWGO-VXGBXAGGSA-N 1 0 276.380 2.490 20 10 CECDRO CN(Cc1c(O)cccc1Cl)CC(C)(C)C[NH3+] ZINC000128348232 651422354 /nfs/dbraw/zinc/42/23/54/651422354.db2.gz RZVDURYHBQPPAH-UHFFFAOYSA-N 1 0 256.777 2.462 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccc(N(C)C)cc1 ZINC000129855330 652186064 /nfs/dbraw/zinc/18/60/64/652186064.db2.gz DFLFUXDFKJEHOH-DYVFJYSZSA-N 1 0 292.423 2.191 20 10 CECDRO OC[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)Cc1ccoc1 ZINC000883276175 652421429 /nfs/dbraw/zinc/42/14/29/652421429.db2.gz HDFGNWVTHYNBPT-DZGCQCFKSA-N 1 0 287.359 2.413 20 10 CECDRO CCCC[N@H+](CC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000131880231 652475007 /nfs/dbraw/zinc/47/50/07/652475007.db2.gz WNHNXNDMHYWGPE-UHFFFAOYSA-N 1 0 291.439 2.491 20 10 CECDRO CC[NH+](CC)CCCOC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000800186186 652678705 /nfs/dbraw/zinc/67/87/05/652678705.db2.gz ASKQACFICQZIKC-VQHVLOKHSA-N 1 0 293.363 2.386 20 10 CECDRO CC[C@]1(C(=O)NCCCSc2nccs2)CCC[NH2+]1 ZINC000134499363 652847403 /nfs/dbraw/zinc/84/74/03/652847403.db2.gz PWEJDBHTHOGJLO-CYBMUJFWSA-N 1 0 299.465 2.274 20 10 CECDRO C[C@@]1([NH3+])CCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001204782465 805952397 /nfs/dbraw/zinc/95/23/97/805952397.db2.gz FJBZUAJJBSFFPT-GOSISDBHSA-N 1 0 285.435 2.309 20 10 CECDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(O)cc1O)C2 ZINC001168250010 806441458 /nfs/dbraw/zinc/44/14/58/806441458.db2.gz WOTKBIBCJJACHP-CQSZACIVSA-N 1 0 285.343 2.363 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](CO)C2)c1 ZINC000382327914 802632746 /nfs/dbraw/zinc/63/27/46/802632746.db2.gz WRQZPMPVKCYILS-WCQYABFASA-N 1 0 265.353 2.042 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(Br)cc1O ZINC000382327578 802632766 /nfs/dbraw/zinc/63/27/66/802632766.db2.gz VNASZFKZKGIVHR-WHGOUJPWSA-N 1 0 286.169 2.329 20 10 CECDRO C[C@]1([NH2+]Cc2c(O)cccc2Br)CCOC1 ZINC000706868317 802847159 /nfs/dbraw/zinc/84/71/59/802847159.db2.gz FADBNYHLLXNXIV-LBPRGKRZSA-N 1 0 286.169 2.423 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCO[C@H]1CC1(F)F)CC2 ZINC000690723685 802881073 /nfs/dbraw/zinc/88/10/73/802881073.db2.gz BFRBYWQWZNCAIV-PWSUYJOCSA-N 1 0 269.291 2.393 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)CNC(=O)CC2CC2)cc1C ZINC001266918319 802995209 /nfs/dbraw/zinc/99/52/09/802995209.db2.gz WGJZRVNJJCESRB-CYBMUJFWSA-N 1 0 290.407 2.398 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2O)[C@@H](C)CO1 ZINC000403831375 803127263 /nfs/dbraw/zinc/12/72/63/803127263.db2.gz QAYXRFAVTWUHGE-WCQYABFASA-N 1 0 265.353 2.400 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)[C@H]1CO ZINC001140582633 803178125 /nfs/dbraw/zinc/17/81/25/803178125.db2.gz KYJZTGISGSSQKK-ZANVPECISA-N 1 0 271.307 2.263 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c1 ZINC001140622855 803246047 /nfs/dbraw/zinc/24/60/47/803246047.db2.gz BZYOWZZVTVTQCR-MRXNPFEDSA-N 1 0 275.348 2.372 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc2ccccc2c1O ZINC000398338361 803315753 /nfs/dbraw/zinc/31/57/53/803315753.db2.gz JLCRFZYAPUBQCZ-NWDGAFQWSA-N 1 0 284.359 2.332 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c1O ZINC000724814556 803490810 /nfs/dbraw/zinc/49/08/10/803490810.db2.gz QYPKVPVOFYLABX-AAEUAGOBSA-N 1 0 263.337 2.012 20 10 CECDRO CCCO[C@H]1CC[N@H+](Cc2c(O)cc(OC)cc2OC)C1 ZINC001141028531 803666662 /nfs/dbraw/zinc/66/66/62/803666662.db2.gz SQRMZDDPEQRYRQ-LBPRGKRZSA-N 1 0 295.379 2.410 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)[C@H](C)C1 ZINC001141163298 803763259 /nfs/dbraw/zinc/76/32/59/803763259.db2.gz ZEUJPWCCUKBAHA-ZWNOBZJWSA-N 1 0 251.326 2.097 20 10 CECDRO CCOC(=O)N1CC[NH+](Cc2cc(C)cc(C)c2O)CC1 ZINC000125391247 804033335 /nfs/dbraw/zinc/03/33/35/804033335.db2.gz HDJNFRBDYOXUNQ-UHFFFAOYSA-N 1 0 292.379 2.283 20 10 CECDRO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000722295803 804232596 /nfs/dbraw/zinc/23/25/96/804232596.db2.gz VJXJLDQWGZKZMQ-WMLDXEAASA-N 1 0 273.424 2.327 20 10 CECDRO Cc1ccc(O)c(C[NH2+]C[C@]2(OC(C)C)CCOC2)c1 ZINC000722351385 804341358 /nfs/dbraw/zinc/34/13/58/804341358.db2.gz CPYJZFKOAWAFOO-MRXNPFEDSA-N 1 0 279.380 2.374 20 10 CECDRO C[N@H+](Cc1cn2ccncc2n1)Cc1ccccc1O ZINC001139699251 804488692 /nfs/dbraw/zinc/48/86/92/804488692.db2.gz QRUQGFQZZZMWLB-UHFFFAOYSA-N 1 0 268.320 2.067 20 10 CECDRO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCCCC1)c1ccccc1O ZINC001119241596 815078657 /nfs/dbraw/zinc/07/86/57/815078657.db2.gz HRVLHTYVUZUTFK-ABAIWWIYSA-N 1 0 276.380 2.477 20 10 CECDRO C[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)[C@@H]1CO ZINC001232260971 807237576 /nfs/dbraw/zinc/23/75/76/807237576.db2.gz ULCYTCBWUOBLME-JOYOIKCWSA-N 1 0 285.771 2.344 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(O)C(F)F)c1 ZINC000698571506 807247548 /nfs/dbraw/zinc/24/75/48/807247548.db2.gz UQCFHWCHGJOEHP-ISVAXAHUSA-N 1 0 275.295 2.068 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC([NH+](C)C)CC2)c1O ZINC000037328934 815143447 /nfs/dbraw/zinc/14/34/47/815143447.db2.gz XHAAUTBTHZRQLB-UHFFFAOYSA-N 1 0 294.370 2.260 20 10 CECDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cccc(OC)c1O ZINC000716915338 815159866 /nfs/dbraw/zinc/15/98/66/815159866.db2.gz KHHHHSAMTOLZBI-PWSUYJOCSA-N 1 0 253.342 2.040 20 10 CECDRO Cc1c(CN2CCC[C@@H]2C[NH3+])c2ccccc2n1C ZINC001236244858 808026327 /nfs/dbraw/zinc/02/63/27/808026327.db2.gz FXENEFYKWDIBCJ-CYBMUJFWSA-N 1 0 257.381 2.410 20 10 CECDRO [NH3+]CC[C@@H]1CN(c2nccc3c2NC(=O)C3)c2ccccc21 ZINC001168546646 808577351 /nfs/dbraw/zinc/57/73/51/808577351.db2.gz XMNPPWPMYVRXCJ-GFCCVEGCSA-N 1 0 294.358 2.160 20 10 CECDRO Cc1nnc(C2CC[NH+](Cc3ccccc3O)CC2)o1 ZINC001203558317 808725949 /nfs/dbraw/zinc/72/59/49/808725949.db2.gz DITHQSHVMDABNO-UHFFFAOYSA-N 1 0 273.336 2.463 20 10 CECDRO CCN1CC[C@H]([NH2+][C@H](C)c2ccccc2O)CC1=O ZINC001172027357 815272143 /nfs/dbraw/zinc/27/21/43/815272143.db2.gz VLDNXDVTZVUWNC-NEPJUHHUSA-N 1 0 262.353 2.054 20 10 CECDRO CCO[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000701661668 809448508 /nfs/dbraw/zinc/44/85/08/809448508.db2.gz OLUUJRWWLKPMJE-ZDUSSCGKSA-N 1 0 251.326 2.012 20 10 CECDRO CC[NH+](CC)CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703230106 809632123 /nfs/dbraw/zinc/63/21/23/809632123.db2.gz ONBSIOLUQMANJF-UHFFFAOYSA-N 1 0 272.339 2.492 20 10 CECDRO Oc1cccc(F)c1CN1CC[NH+](CC2CC2)CC1 ZINC001137837686 809781531 /nfs/dbraw/zinc/78/15/31/809781531.db2.gz QXDSKXNPKQPSRF-UHFFFAOYSA-N 1 0 264.344 2.059 20 10 CECDRO Nc1ccc(NC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC000705917689 809796875 /nfs/dbraw/zinc/79/68/75/809796875.db2.gz QDUZZPXKLLFRBF-UHFFFAOYSA-N 1 0 259.353 2.083 20 10 CECDRO CCc1cccc(C[N@H+]2CCN(CC)[C@H](C)C2)c1O ZINC000709290790 809959504 /nfs/dbraw/zinc/95/95/04/809959504.db2.gz PDPJWUZYTYCWSI-CYBMUJFWSA-N 1 0 262.397 2.481 20 10 CECDRO COc1ccc(N2CC[C@H]([NH3+])C2)c2ccc(C)nc12 ZINC001164281691 810339422 /nfs/dbraw/zinc/33/94/22/810339422.db2.gz KJVRBOXIWKKGJJ-NSHDSACASA-N 1 0 257.337 2.089 20 10 CECDRO C[NH2+]CCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001122037090 815380882 /nfs/dbraw/zinc/38/08/82/815380882.db2.gz XGOYBDDESXRKSY-UHFFFAOYSA-N 1 0 290.407 2.277 20 10 CECDRO Nc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC001122535713 815422895 /nfs/dbraw/zinc/42/28/95/815422895.db2.gz GAXIIUPTRSGWKP-IMJJTQAJSA-N 1 0 287.407 2.196 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000691430886 811662062 /nfs/dbraw/zinc/66/20/62/811662062.db2.gz UMNNKHHMFLZRSV-NSHDSACASA-N 1 0 286.169 2.423 20 10 CECDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC001172916646 815544844 /nfs/dbraw/zinc/54/48/44/815544844.db2.gz CDGLFLWRFQKIJJ-NWDGAFQWSA-N 1 0 251.326 2.145 20 10 CECDRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000383541103 813102740 /nfs/dbraw/zinc/10/27/40/813102740.db2.gz UIGVDAXCGJQKLQ-ZDUSSCGKSA-N 1 0 255.745 2.296 20 10 CECDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)C(C)(C)O ZINC000394023793 813334331 /nfs/dbraw/zinc/33/43/31/813334331.db2.gz XWDJTEJOGYLMDM-ZDUSSCGKSA-N 1 0 253.342 2.040 20 10 CECDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)sn1 ZINC000399308846 813707954 /nfs/dbraw/zinc/70/79/54/813707954.db2.gz LJFWQDFDTVKFRS-UHFFFAOYSA-N 1 0 264.350 2.456 20 10 CECDRO C[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1 ZINC001255633425 813819021 /nfs/dbraw/zinc/81/90/21/813819021.db2.gz RUIXQWGFDDYYTF-RDDDGLTNSA-N 1 0 279.258 2.062 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c(O)c1 ZINC001144499456 814089541 /nfs/dbraw/zinc/08/95/41/814089541.db2.gz GSHWZSVBZLTXCZ-LBPRGKRZSA-N 1 0 291.269 2.373 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c(O)c1 ZINC001144504474 814092189 /nfs/dbraw/zinc/09/21/89/814092189.db2.gz RJLMYCAXDSMTGB-QWRGUYRKSA-N 1 0 263.337 2.425 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(O)c1 ZINC001144508971 814096995 /nfs/dbraw/zinc/09/69/95/814096995.db2.gz FZSGDCMBPXRSCD-GFCCVEGCSA-N 1 0 286.331 2.188 20 10 CECDRO C[C@@H]1CCC[N@H+](Cc2c(O)cc(O)cc2O)[C@@H]1C ZINC001144509119 814097015 /nfs/dbraw/zinc/09/70/15/814097015.db2.gz LJMQNVHCAHUDHI-NXEZZACHSA-N 1 0 251.326 2.424 20 10 CECDRO C[N@H+](Cc1ccccc1O)Cc1c(O)cc(O)cc1O ZINC001144515381 814099594 /nfs/dbraw/zinc/09/95/94/814099594.db2.gz MCDQNBGPONMLFA-UHFFFAOYSA-N 1 0 275.304 2.141 20 10 CECDRO Cc1ncccc1C[N@@H+](C)Cc1c(O)cc(O)cc1O ZINC001144516060 814100505 /nfs/dbraw/zinc/10/05/05/814100505.db2.gz NZXQBWOLGCMPMQ-UHFFFAOYSA-N 1 0 274.320 2.139 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)c1 ZINC000714352753 814897729 /nfs/dbraw/zinc/89/77/29/814897729.db2.gz UZIQUGDHTZXEKY-CHWSQXEVSA-N 1 0 297.420 2.319 20 10 CECDRO COc1cccc(C[N@@H+]2CCc3cccc(O)c3C2)n1 ZINC001137534366 815644472 /nfs/dbraw/zinc/64/44/72/815644472.db2.gz TWIIZFSZEFVOLN-UHFFFAOYSA-N 1 0 270.332 2.354 20 10 CECDRO CC(C)[N@H+](C)[C@@H]1CCN(Cc2c(O)cccc2F)C1 ZINC001137839583 815695030 /nfs/dbraw/zinc/69/50/30/815695030.db2.gz DVXKJGBPHIWZLH-GFCCVEGCSA-N 1 0 266.360 2.446 20 10 CECDRO CC(=O)NC1CN(Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001137857441 815698756 /nfs/dbraw/zinc/69/87/56/815698756.db2.gz HOCBCWKGXPSDAX-UHFFFAOYSA-N 1 0 297.402 2.414 20 10 CECDRO COCCCC[NH+]1CCN(Cc2cccc(F)c2O)CC1 ZINC001138130950 815736253 /nfs/dbraw/zinc/73/62/53/815736253.db2.gz MCQHJSQDXAXGNQ-UHFFFAOYSA-N 1 0 296.386 2.076 20 10 CECDRO C[N@H+](CCF)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138341731 815771606 /nfs/dbraw/zinc/77/16/06/815771606.db2.gz VGIAMDGSQADYCM-UHFFFAOYSA-N 1 0 278.371 2.492 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccc3c(c2)CCCN3C)CC[C@H]1O ZINC001138354380 815772628 /nfs/dbraw/zinc/77/26/28/815772628.db2.gz HLQVRYUTXXFCHN-SUMWQHHRSA-N 1 0 274.408 2.272 20 10 CECDRO CN1CCCc2cc(C[N@@H+]3CC[C@](C)(O)C3)ccc21 ZINC001138354236 815772928 /nfs/dbraw/zinc/77/29/28/815772928.db2.gz BTQUXOJXEZTXGA-INIZCTEOSA-N 1 0 260.381 2.026 20 10 CECDRO CN1CCCc2cc(CN3CC[N@@H+]4CCC[C@@H]4C3)ccc21 ZINC001138357784 815774741 /nfs/dbraw/zinc/77/47/41/815774741.db2.gz KENRIQCMGYDJSF-QGZVFWFLSA-N 1 0 285.435 2.349 20 10 CECDRO CO[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354781 815775349 /nfs/dbraw/zinc/77/53/49/815775349.db2.gz URWQCJCRGWXQAY-OAHLLOKOSA-N 1 0 260.381 2.290 20 10 CECDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c(OC)c1 ZINC001138386494 815787043 /nfs/dbraw/zinc/78/70/43/815787043.db2.gz OJEDWTIADDMMFY-XJKSGUPXSA-N 1 0 292.423 2.354 20 10 CECDRO CC[N@H+](Cc1cnc(N)s1)Cc1ccccc1O ZINC001139230638 815993715 /nfs/dbraw/zinc/99/37/15/815993715.db2.gz DLZXSSQBUGKQBV-UHFFFAOYSA-N 1 0 263.366 2.453 20 10 CECDRO Cc1cc(C[N@@H+]2CCN3CCC2CC3)ccc1N(C)C ZINC001139673026 816075923 /nfs/dbraw/zinc/07/59/23/816075923.db2.gz OYWYINALLYEGGU-UHFFFAOYSA-N 1 0 273.424 2.341 20 10 CECDRO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139673199 816076287 /nfs/dbraw/zinc/07/62/87/816076287.db2.gz CGTRHMHJHYRKCC-INIZCTEOSA-N 1 0 289.423 2.114 20 10 CECDRO C[NH+]1CCC2(C[NH+](Cc3c(F)ccc(F)c3[O-])C2)CC1 ZINC001139686378 816083199 /nfs/dbraw/zinc/08/31/99/816083199.db2.gz WWCWOVGTOKKKPP-UHFFFAOYSA-N 1 0 282.334 2.198 20 10 CECDRO O=C1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H]12 ZINC001140056406 816179129 /nfs/dbraw/zinc/17/91/29/816179129.db2.gz VWLYPTIJRCPVEL-MFKMUULPSA-N 1 0 263.312 2.332 20 10 CECDRO COC(=O)CC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC001140063176 816182756 /nfs/dbraw/zinc/18/27/56/816182756.db2.gz MIFKCQHOWRRNBR-UHFFFAOYSA-N 1 0 281.327 2.306 20 10 CECDRO Cc1ccc(C)c(C[N@@H+](C)Cc2cnn(C)c2)c1O ZINC001140178348 816204254 /nfs/dbraw/zinc/20/42/54/816204254.db2.gz JDAXZVNRGGUETM-UHFFFAOYSA-N 1 0 259.353 2.375 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1O ZINC001140178590 816204263 /nfs/dbraw/zinc/20/42/63/816204263.db2.gz POIVYJQJNYQHSI-GFCCVEGCSA-N 1 0 285.334 2.459 20 10 CECDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140468436 816262950 /nfs/dbraw/zinc/26/29/50/816262950.db2.gz KVRYHFGJPPWQNP-LBPRGKRZSA-N 1 0 282.771 2.146 20 10 CECDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(C)ccc2O)C1 ZINC001140623671 816305848 /nfs/dbraw/zinc/30/58/48/816305848.db2.gz OUUXUULKHDAPJK-OAHLLOKOSA-N 1 0 276.380 2.143 20 10 CECDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[N@@H+]1Cc1cc(C)ccc1O ZINC001140624289 816307971 /nfs/dbraw/zinc/30/79/71/816307971.db2.gz OVXCMMPGXKKFPL-OSAQELSMSA-N 1 0 275.348 2.227 20 10 CECDRO Cc1c(O)ccc(C[N@H+](C)Cc2ccncc2)c1O ZINC001140742729 816339148 /nfs/dbraw/zinc/33/91/48/816339148.db2.gz WWLBPZDQBKDBLZ-UHFFFAOYSA-N 1 0 258.321 2.433 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCc3ncsc3C2)c1O ZINC001140748482 816343680 /nfs/dbraw/zinc/34/36/80/816343680.db2.gz HMWQIPRAOUHGKP-UHFFFAOYSA-N 1 0 276.361 2.421 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C2)c(O)c1 ZINC001140855012 816382716 /nfs/dbraw/zinc/38/27/16/816382716.db2.gz KAMFWSXHUMYTCZ-MRXNPFEDSA-N 1 0 291.439 2.374 20 10 CECDRO Cc1ccc(C[N@@H+]2CCC[C@](F)(CO)CC2)c(O)c1 ZINC001140948110 816422245 /nfs/dbraw/zinc/42/22/45/816422245.db2.gz UBJNPLKAPHNYSM-OAHLLOKOSA-N 1 0 267.344 2.387 20 10 CECDRO Cc1ccc(C[NH+]2CCN(c3cc(C)ncn3)CC2)c(O)c1 ZINC001140954692 816424424 /nfs/dbraw/zinc/42/44/24/816424424.db2.gz WHXDTPIGIOPJEO-UHFFFAOYSA-N 1 0 298.390 2.121 20 10 CECDRO COC[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCCN2C ZINC001141140057 816484402 /nfs/dbraw/zinc/48/44/02/816484402.db2.gz HTFQKIKJUCCJHM-CQSZACIVSA-N 1 0 276.380 2.126 20 10 CECDRO Cc1ccnc(N2CC[NH+](Cc3cc(O)ccc3O)CC2)c1 ZINC001141160171 816491529 /nfs/dbraw/zinc/49/15/29/816491529.db2.gz RVTOOQASFFHNSJ-UHFFFAOYSA-N 1 0 299.374 2.123 20 10 CECDRO C[C@@]1(C[NH3+])CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC001206304795 816568956 /nfs/dbraw/zinc/56/89/56/816568956.db2.gz PRSQXWISZCZCLA-OAHLLOKOSA-N 1 0 266.360 2.482 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COC[C@@H]2OC)cc1 ZINC000839193567 816569162 /nfs/dbraw/zinc/56/91/62/816569162.db2.gz SBPGNTXZLMMKTN-CVEARBPZSA-N 1 0 278.396 2.036 20 10 CECDRO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC001143102044 816785107 /nfs/dbraw/zinc/78/51/07/816785107.db2.gz VMPIDAJXESISQR-CYBMUJFWSA-N 1 0 290.407 2.387 20 10 CECDRO Cc1c2ccccc2n(C)c1C[NH2+]C1CC(CC(N)=O)C1 ZINC001179566157 816875607 /nfs/dbraw/zinc/87/56/07/816875607.db2.gz AOGVFLOBNMHEBI-UHFFFAOYSA-N 1 0 285.391 2.230 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccc(N(C)C)cc1 ZINC000090055582 344134713 /nfs/dbraw/zinc/13/47/13/344134713.db2.gz AXVMVFLNRDNYIE-GUYCJALGSA-N 1 0 292.423 2.191 20 10 CECDRO CCC1(CO)CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000093592230 344226999 /nfs/dbraw/zinc/22/69/99/344226999.db2.gz PMZZFRBDHLKPNS-UHFFFAOYSA-N 1 0 279.380 2.385 20 10 CECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCO1 ZINC000161794574 344465284 /nfs/dbraw/zinc/46/52/84/344465284.db2.gz JKVJEIUXEGUAFE-KRWDZBQOSA-N 1 0 290.407 2.134 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCN3CCCC[C@@H]3C2)c1 ZINC000156078931 366827648 /nfs/dbraw/zinc/82/76/48/366827648.db2.gz MLKJRYSOQBIJQZ-OAHLLOKOSA-N 1 0 260.381 2.371 20 10 CECDRO CN(C)c1ccc(C[NH2+]C2CCC(O)CC2)cc1F ZINC000113312049 364887780 /nfs/dbraw/zinc/88/77/80/364887780.db2.gz URLNGUCGRZMPAY-UHFFFAOYSA-N 1 0 266.360 2.285 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000113338320 364889321 /nfs/dbraw/zinc/88/93/21/364889321.db2.gz CZSUDSQLOSAXHF-OAHLLOKOSA-N 1 0 298.390 2.249 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1O ZINC000163076342 367216385 /nfs/dbraw/zinc/21/63/85/367216385.db2.gz QPLCXMDQVCOHQC-MWLCHTKSSA-N 1 0 281.327 2.249 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C[S@@](C)=O)cc1 ZINC000168215994 367349909 /nfs/dbraw/zinc/34/99/09/367349909.db2.gz GLUYKHMCAPUWFL-YJYMSZOUSA-N 1 0 282.453 2.389 20 10 CECDRO CC[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000178294333 368295630 /nfs/dbraw/zinc/29/56/30/368295630.db2.gz RJPIGPGUKYIEIR-OAHLLOKOSA-N 1 0 277.412 2.272 20 10 CECDRO CCC[N@H+](CC(=O)NC)Cc1cc(Cl)cc(C)c1O ZINC000179827443 368353589 /nfs/dbraw/zinc/35/35/89/368353589.db2.gz QTEZNZWKKYTQBY-UHFFFAOYSA-N 1 0 284.787 2.312 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCSC[C@H]2C)c1 ZINC000180246481 368375245 /nfs/dbraw/zinc/37/52/45/368375245.db2.gz CFUVVPDGOMTVAM-SNVBAGLBSA-N 1 0 253.367 2.338 20 10 CECDRO CC[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(N(C)C)cc1 ZINC000181290703 368440404 /nfs/dbraw/zinc/44/04/04/368440404.db2.gz QYXSHEHBVDVWSB-INIZCTEOSA-N 1 0 289.423 2.320 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c(O)c1 ZINC000185179561 368761990 /nfs/dbraw/zinc/76/19/90/368761990.db2.gz UKKIMWYERLKQOO-VIFPVBQESA-N 1 0 290.285 2.030 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375761 368799932 /nfs/dbraw/zinc/79/99/32/368799932.db2.gz XOCRHWQWKABQPJ-SOUVJXGZSA-N 1 0 292.423 2.460 20 10 CECDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000188045389 369282812 /nfs/dbraw/zinc/28/28/12/369282812.db2.gz IDLDYZRNTCGIPX-SNVBAGLBSA-N 1 0 284.787 2.310 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(OC)c2O)C[C@H]1C ZINC000188121855 369301174 /nfs/dbraw/zinc/30/11/74/369301174.db2.gz MZRWIYFWOFVVNW-YPMHNXCESA-N 1 0 293.363 2.032 20 10 CECDRO C[C@@H]([NH2+]CCOCC(F)F)c1ccc(F)cc1[O-] ZINC000188768440 369407025 /nfs/dbraw/zinc/40/70/25/369407025.db2.gz CTWMANAJBQWCLF-MRVPVSSYSA-N 1 0 263.259 2.464 20 10 CECDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1O ZINC000226609354 370348528 /nfs/dbraw/zinc/34/85/28/370348528.db2.gz MHVVCAMFGAEVOU-GFCCVEGCSA-N 1 0 255.333 2.418 20 10 CECDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000188502430 284302572 /nfs/dbraw/zinc/30/25/72/284302572.db2.gz BRYGQEDPEXJTRT-CHWSQXEVSA-N 1 0 277.412 2.270 20 10 CECDRO Cc1cccc(C[N@@H+]2CCc3ncnc(N(C)C)c3C2)c1O ZINC000362047424 372185367 /nfs/dbraw/zinc/18/53/67/372185367.db2.gz RNCCVIWWGUAWKC-UHFFFAOYSA-N 1 0 298.390 2.115 20 10 CECDRO CCOc1cccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000270547466 372836535 /nfs/dbraw/zinc/83/65/35/372836535.db2.gz LFTWNYQDCWDPLK-GFCCVEGCSA-N 1 0 293.285 2.194 20 10 CECDRO CCCC[N@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000270981284 373044164 /nfs/dbraw/zinc/04/41/64/373044164.db2.gz CYERQCHOXPSNJF-UHFFFAOYSA-N 1 0 250.386 2.347 20 10 CECDRO CCC1(O)CC[NH+](Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271091812 373115341 /nfs/dbraw/zinc/11/53/41/373115341.db2.gz LFPDYFQPGMEYQG-UHFFFAOYSA-N 1 0 295.379 2.146 20 10 CECDRO Cc1c[nH+]ccc1NCc1ccc2c(c1)CCN2C ZINC000366859865 373127374 /nfs/dbraw/zinc/12/73/74/373127374.db2.gz WRDHAQHSUGRLGH-UHFFFAOYSA-N 1 0 253.349 2.416 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000272609191 373580885 /nfs/dbraw/zinc/58/08/85/373580885.db2.gz KDYYAKKCWJXRPJ-CJNGLKHVSA-N 1 0 290.407 2.317 20 10 CECDRO COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCOC2)c1 ZINC000273412862 373754963 /nfs/dbraw/zinc/75/49/63/373754963.db2.gz QEVIAIVYXAHOBR-NEPJUHHUSA-N 1 0 293.363 2.256 20 10 CECDRO CC[C@@H](COC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273553349 373765366 /nfs/dbraw/zinc/76/53/66/373765366.db2.gz GJGVLHOXIAFZAH-PWSUYJOCSA-N 1 0 281.352 2.254 20 10 CECDRO COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273567924 373765481 /nfs/dbraw/zinc/76/54/81/373765481.db2.gz JYPVYINEVGVRGN-GJZGRUSLSA-N 1 0 292.423 2.380 20 10 CECDRO CN(C)c1ccc(CN2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000371489301 373900929 /nfs/dbraw/zinc/90/09/29/373900929.db2.gz OGRCSAHKSDTKAO-NVXWUHKLSA-N 1 0 273.424 2.279 20 10 CECDRO COCCOCCOCCC[NH2+][C@H](C)c1ccccc1O ZINC000274543490 373957289 /nfs/dbraw/zinc/95/72/89/373957289.db2.gz CQYYWIWCIWAPFI-CQSZACIVSA-N 1 0 297.395 2.113 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)c1O ZINC000375707275 374671962 /nfs/dbraw/zinc/67/19/62/374671962.db2.gz XYTMMMKUBNJNRS-UONOGXRCSA-N 1 0 277.364 2.402 20 10 CECDRO C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccccc1O ZINC000281125098 375356740 /nfs/dbraw/zinc/35/67/40/375356740.db2.gz SOPYOABRXSYZAR-ADLMAVQZSA-N 1 0 267.394 2.344 20 10 CECDRO CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2O)CCCO1 ZINC000281276183 375369220 /nfs/dbraw/zinc/36/92/20/375369220.db2.gz OCAFCQFGHSVBNS-CYBMUJFWSA-N 1 0 295.379 2.410 20 10 CECDRO CCCC[N@H+](CCN1CCOCC1)Cc1ccccc1O ZINC000282548911 375515240 /nfs/dbraw/zinc/51/52/40/375515240.db2.gz WWMOBZZFYRQCJC-UHFFFAOYSA-N 1 0 292.423 2.327 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)c1O ZINC000283061172 375647129 /nfs/dbraw/zinc/64/71/29/375647129.db2.gz TYUVPOQEHTVDCO-CYBMUJFWSA-N 1 0 287.363 2.302 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@@H]2CSC2(C)C)c1 ZINC000283126744 375660602 /nfs/dbraw/zinc/66/06/02/375660602.db2.gz VSWYILHWGLKAKR-GFCCVEGCSA-N 1 0 253.367 2.384 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCC1(O)CCC1 ZINC000284068204 375804514 /nfs/dbraw/zinc/80/45/14/375804514.db2.gz QHKXWVSOOUIGRY-UHFFFAOYSA-N 1 0 255.745 2.440 20 10 CECDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2c(C)cc(C)cc2O)n1 ZINC000285318670 375838729 /nfs/dbraw/zinc/83/87/29/375838729.db2.gz SWYKZULYURUOFL-NSHDSACASA-N 1 0 274.368 2.329 20 10 CECDRO COC(=O)c1cc(C[NH2+]Cc2ccccc2O)n(C)c1C ZINC000291103546 377071893 /nfs/dbraw/zinc/07/18/93/377071893.db2.gz BEKNQMWETRMOSB-UHFFFAOYSA-N 1 0 288.347 2.116 20 10 CECDRO CCC[C@@H](C[NH2+]Cc1cc(OC)ccc1O)OC ZINC000293823468 377774749 /nfs/dbraw/zinc/77/47/49/377774749.db2.gz ZXURKSJSDYYDIN-ZDUSSCGKSA-N 1 0 253.342 2.306 20 10 CECDRO Cc1cc(CN2CCOC[C@]23CCOC3)ccc1N(C)C ZINC000294278093 377964067 /nfs/dbraw/zinc/96/40/67/377964067.db2.gz VWMSAEXNBVJQFF-QGZVFWFLSA-N 1 0 290.407 2.052 20 10 CECDRO Cc1cc(C[N@@H+](C)[C@@H](C)C[S@@](C)=O)ccc1N(C)C ZINC000294751506 378017312 /nfs/dbraw/zinc/01/73/12/378017312.db2.gz XRDAQTIXPXUOCJ-ORAYPTAESA-N 1 0 282.453 2.260 20 10 CECDRO [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCOC1 ZINC000294480391 377990376 /nfs/dbraw/zinc/99/03/76/377990376.db2.gz ZYCAOZMLUNOCOW-QMMMGPOBSA-N 1 0 259.708 2.311 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1CO ZINC000294526151 377995186 /nfs/dbraw/zinc/99/51/86/377995186.db2.gz CXNLMKFWZJFXPW-SCZZXKLOSA-N 1 0 273.735 2.245 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)[C@H](O)C(F)F ZINC000294989579 378033973 /nfs/dbraw/zinc/03/39/73/378033973.db2.gz HIMCAUZCVNQYBX-PWSUYJOCSA-N 1 0 259.296 2.195 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CC)[C@H](O)C(F)F)c1O ZINC000295114503 378043091 /nfs/dbraw/zinc/04/30/91/378043091.db2.gz VMIRZGOQLDXSBO-GWCFXTLKSA-N 1 0 289.322 2.285 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCC(O)CC2)c(O)c1 ZINC000296092759 378415839 /nfs/dbraw/zinc/41/58/39/378415839.db2.gz YGWPYZQOKCIMNU-AWEZNQCLSA-N 1 0 292.423 2.116 20 10 CECDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000296258696 378468330 /nfs/dbraw/zinc/46/83/30/378468330.db2.gz BNUZYGDGHGSDHP-XQQFMLRXSA-N 1 0 275.348 2.311 20 10 CECDRO O=C1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C2(CCC2)N1 ZINC000296299595 378482945 /nfs/dbraw/zinc/48/29/45/378482945.db2.gz DOJKPZLYZKAWPW-OCCSQVGLSA-N 1 0 286.375 2.170 20 10 CECDRO C[C@@](O)(C[NH2+][C@@H]1CCc2cccc(O)c21)C(F)(F)F ZINC000296964110 378659949 /nfs/dbraw/zinc/65/99/49/378659949.db2.gz RFYNVYBQGPFQQR-BXKDBHETSA-N 1 0 275.270 2.282 20 10 CECDRO CC[C@@H](O)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000305175990 379673689 /nfs/dbraw/zinc/67/36/89/379673689.db2.gz VIGUJAJEYBAWFB-MRXNPFEDSA-N 1 0 292.423 2.415 20 10 CECDRO C[C@H]([NH2+]C[C@@H]1COCCN1)c1ccc2ccccc2c1O ZINC000530221798 380197463 /nfs/dbraw/zinc/19/74/63/380197463.db2.gz DJTSRTULJGBMSG-GXTWGEPZSA-N 1 0 286.375 2.184 20 10 CECDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)Cn2cccn2)c1O ZINC000228670940 394476422 /nfs/dbraw/zinc/47/64/22/394476422.db2.gz SPPVDJZQYBLEKM-JTQLQIEISA-N 1 0 295.770 2.429 20 10 CECDRO CCOC[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000265062959 394644458 /nfs/dbraw/zinc/64/44/58/394644458.db2.gz ZFQQMBOEDYVVFQ-KRWDZBQOSA-N 1 0 292.423 2.114 20 10 CECDRO Cc1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000109773398 394735479 /nfs/dbraw/zinc/73/54/79/394735479.db2.gz GUXPBHHRMCGSPV-UHFFFAOYSA-N 1 0 298.386 2.449 20 10 CECDRO CC(C)[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[NH+](C)C ZINC000106460897 394724962 /nfs/dbraw/zinc/72/49/62/394724962.db2.gz JIIXIUHFSUGNSF-OAHLLOKOSA-N 1 0 295.402 2.094 20 10 CECDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000120671403 394781909 /nfs/dbraw/zinc/78/19/09/394781909.db2.gz UYVQKPFRJRYYCI-AWEZNQCLSA-N 1 0 286.416 2.095 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCNC(C)=O)cc1 ZINC000121339411 394796133 /nfs/dbraw/zinc/79/61/33/394796133.db2.gz NUAPAUUNHYSZIB-CYBMUJFWSA-N 1 0 277.412 2.320 20 10 CECDRO CN(C)CC1([NH2+]Cc2ccc(N(C)C)c(F)c2)CCC1 ZINC000282334468 394917138 /nfs/dbraw/zinc/91/71/38/394917138.db2.gz UPIDHRMLZPCPTB-UHFFFAOYSA-N 1 0 279.403 2.466 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCC(n3cncn3)CC2)cc1C ZINC000152052110 394984878 /nfs/dbraw/zinc/98/48/78/394984878.db2.gz XDRZUUMFBZPNHH-UHFFFAOYSA-N 1 0 286.379 2.438 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1O ZINC000368134291 394979342 /nfs/dbraw/zinc/97/93/42/394979342.db2.gz LOZWOGXCEDREFR-ZDUSSCGKSA-N 1 0 287.363 2.124 20 10 CECDRO CCOCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000161920961 395066948 /nfs/dbraw/zinc/06/69/48/395066948.db2.gz DLRSAFGNAWYGMC-UHFFFAOYSA-N 1 0 278.396 2.290 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CCCSC2)c1 ZINC000164751967 395086101 /nfs/dbraw/zinc/08/61/01/395086101.db2.gz AHNMZCNCDCVGHJ-NSHDSACASA-N 1 0 253.367 2.386 20 10 CECDRO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158065077 395036743 /nfs/dbraw/zinc/03/67/43/395036743.db2.gz ATDCNNDJSJGMFQ-ZDUSSCGKSA-N 1 0 282.771 2.146 20 10 CECDRO CCOCc1cc(C[NH2+]C(C)(C)CCO)ccc1OC ZINC000174577890 395125151 /nfs/dbraw/zinc/12/51/51/395125151.db2.gz AGMPEBIBXOYNHF-UHFFFAOYSA-N 1 0 281.396 2.482 20 10 CECDRO Cc1cccc(C[N@H+]2CC[S@@](=O)CC[C@H]2C)c1O ZINC000375929786 395104946 /nfs/dbraw/zinc/10/49/46/395104946.db2.gz DJIQVVYAFOMNHW-XIKOKIGWSA-N 1 0 267.394 2.044 20 10 CECDRO CC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000177874436 395158654 /nfs/dbraw/zinc/15/86/54/395158654.db2.gz XQXTVNCGSRXIQD-CVEARBPZSA-N 1 0 289.423 2.462 20 10 CECDRO COC[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000293673618 395246942 /nfs/dbraw/zinc/24/69/42/395246942.db2.gz PAODTGVDFXEDGN-LLVKDONJSA-N 1 0 271.744 2.275 20 10 CECDRO Cc1csc(N2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000179557166 395195136 /nfs/dbraw/zinc/19/51/36/395195136.db2.gz WYEFDQZNIHGIRG-UHFFFAOYSA-N 1 0 289.404 2.479 20 10 CECDRO COC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000181569824 395220817 /nfs/dbraw/zinc/22/08/17/395220817.db2.gz LAQREFRCRIAAKW-CQSZACIVSA-N 1 0 281.327 2.249 20 10 CECDRO Cc1cc(C[N@@H+](C)[C@H](C)C[S@@](C)=O)ccc1N(C)C ZINC000294751494 395277600 /nfs/dbraw/zinc/27/76/00/395277600.db2.gz XRDAQTIXPXUOCJ-BFUOFWGJSA-N 1 0 282.453 2.260 20 10 CECDRO CCOc1cccc(C[NH+]2CC3(C2)CCOC3)c1O ZINC000293868231 395255233 /nfs/dbraw/zinc/25/52/33/395255233.db2.gz CKFDRQWRVDVJLV-UHFFFAOYSA-N 1 0 263.337 2.013 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1ccccc1O ZINC000183862854 395265106 /nfs/dbraw/zinc/26/51/06/395265106.db2.gz AKEGKOYMPMGIPQ-ZMNCSTGQSA-N 1 0 255.383 2.200 20 10 CECDRO C[C@H]([NH2+]CCCCO)c1ccc(N2CCOCC2)c(F)c1 ZINC000194223391 395428649 /nfs/dbraw/zinc/42/86/49/395428649.db2.gz SYPMOSNFLUTOMB-ZDUSSCGKSA-N 1 0 296.386 2.085 20 10 CECDRO c1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000218430580 400308619 /nfs/dbraw/zinc/30/86/19/400308619.db2.gz WRNHFEGCICMEFG-CVEARBPZSA-N 1 0 272.392 2.338 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCN2CCOCC2)c1 ZINC000035628870 172307765 /nfs/dbraw/zinc/30/77/65/172307765.db2.gz IDLOKMCWBDKNIF-AWEZNQCLSA-N 1 0 278.396 2.074 20 10 CECDRO COC(=O)CCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000037416898 173194168 /nfs/dbraw/zinc/19/41/68/173194168.db2.gz IBSPRCDUNNOARY-JTQLQIEISA-N 1 0 267.325 2.005 20 10 CECDRO Cc1c2ccccc2n(C)c1CNC(=O)C[N@@H+](C)C(C)C ZINC000352134798 228186895 /nfs/dbraw/zinc/18/68/95/228186895.db2.gz LIAVMVYIRNVFDX-UHFFFAOYSA-N 1 0 287.407 2.443 20 10 CECDRO COc1ccc(C[NH2+][C@H](C)[C@H](CO)SC)cc1C ZINC000219070658 419462852 /nfs/dbraw/zinc/46/28/52/419462852.db2.gz MJDOZKVMJSMPLJ-RISCZKNCSA-N 1 0 269.410 2.206 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1O ZINC000219906359 260068848 /nfs/dbraw/zinc/06/88/48/260068848.db2.gz BZXDEKKCUYKNKM-WCQYABFASA-N 1 0 265.353 2.448 20 10 CECDRO CC1(C)C[N@H+](Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000313237953 260270026 /nfs/dbraw/zinc/27/00/26/260270026.db2.gz UVJUPPWAIHFSNW-UHFFFAOYSA-N 1 0 279.336 2.122 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000092069549 260491401 /nfs/dbraw/zinc/49/14/01/260491401.db2.gz HNMPVMDCAKGFMG-MRXNPFEDSA-N 1 0 299.422 2.256 20 10 CECDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2nncn2C)c1 ZINC000093810314 260525562 /nfs/dbraw/zinc/52/55/62/260525562.db2.gz LQNOLTSCOYGHFB-CYBMUJFWSA-N 1 0 272.352 2.166 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)Cc2cnc3cnccn23)cc1 ZINC000156469890 261123933 /nfs/dbraw/zinc/12/39/33/261123933.db2.gz FDJAJGWNFOOUTE-UHFFFAOYSA-N 1 0 295.390 2.427 20 10 CECDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000361050585 261152821 /nfs/dbraw/zinc/15/28/21/261152821.db2.gz HRSKWOYHYXLUSD-RYUDHWBXSA-N 1 0 265.328 2.390 20 10 CECDRO COc1cc(O)c(C[N@H+]2CCC[C@H](OC)C2)cc1OC ZINC000160125510 261206198 /nfs/dbraw/zinc/20/61/98/261206198.db2.gz PSVCUJUWSIJMGK-LBPRGKRZSA-N 1 0 281.352 2.020 20 10 CECDRO COCCN1CCC([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185144791 262043484 /nfs/dbraw/zinc/04/34/84/262043484.db2.gz GLXROUHJKQIRHZ-AWEZNQCLSA-N 1 0 292.423 2.462 20 10 CECDRO CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2O)C1 ZINC000186109435 262080224 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ZINC000362035174 266920287 /nfs/dbraw/zinc/92/02/87/266920287.db2.gz ZOCZTKBQDHRTDN-IRXDYDNUSA-N 1 0 290.407 2.167 20 10 CECDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccccc3O)C2)cn1 ZINC000367440848 267089934 /nfs/dbraw/zinc/08/99/34/267089934.db2.gz LWEGPIUGHDRDBP-ZDUSSCGKSA-N 1 0 271.364 2.190 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CCOCC[C@H]2C)c1 ZINC000367703891 267110696 /nfs/dbraw/zinc/11/06/96/267110696.db2.gz JPDBMLLOIDVVGF-GFCCVEGCSA-N 1 0 265.353 2.402 20 10 CECDRO C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cc(F)ccc1O ZINC000368328704 267163294 /nfs/dbraw/zinc/16/32/94/267163294.db2.gz AFKYMBMTESSQJD-BQSGVUBFSA-N 1 0 292.354 2.191 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]3COC[C@H]32)cc1 ZINC000368520136 267179603 /nfs/dbraw/zinc/17/96/03/267179603.db2.gz STFKIRRVRGCMDC-GOEBONIOSA-N 1 0 260.381 2.363 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)cc1C ZINC000369227092 267228074 /nfs/dbraw/zinc/22/80/74/267228074.db2.gz XWROIYWJLRYCCN-LSDHHAIUSA-N 1 0 288.391 2.252 20 10 CECDRO CC[C@H](c1ccccc1O)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000369930737 267277093 /nfs/dbraw/zinc/27/70/93/267277093.db2.gz OOQCIIUEZZYISJ-CQSZACIVSA-N 1 0 288.391 2.445 20 10 CECDRO CC[C@@H](O)C[N@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000371212394 267372838 /nfs/dbraw/zinc/37/28/38/267372838.db2.gz JXBKSPOVHWSTTE-MRXNPFEDSA-N 1 0 292.423 2.367 20 10 CECDRO CCN(C)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000158786358 276071360 /nfs/dbraw/zinc/07/13/60/276071360.db2.gz AOCVBOOSVNUSAD-UHFFFAOYSA-N 1 0 291.439 2.205 20 10 CECDRO COc1cc(Cl)cc(CN[C@H]2CC[NH2+]C23CCC3)c1O ZINC000530179299 313280738 /nfs/dbraw/zinc/28/07/38/313280738.db2.gz SKKWZARDAMZDEE-ZDUSSCGKSA-N 1 0 296.798 2.428 20 10 CECDRO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000185028654 327836004 /nfs/dbraw/zinc/83/60/04/327836004.db2.gz JAUQQINCCNMSAX-NEPJUHHUSA-N 1 0 298.814 2.417 20 10 CECDRO C[C@@H]([NH2+][C@H](C)[C@@H](C)N1CCOCC1)c1cc(F)ccc1O ZINC000185376574 327839230 /nfs/dbraw/zinc/83/92/30/327839230.db2.gz YGBFPSJMJKAGQU-JHJVBQTASA-N 1 0 296.386 2.291 20 10 CECDRO CCC[C@H](C[NH2+]Cc1cccc(OC)c1O)OC ZINC000293537169 328101245 /nfs/dbraw/zinc/10/12/45/328101245.db2.gz AHTNWNXEWFMXTG-GFCCVEGCSA-N 1 0 253.342 2.306 20 10 CECDRO COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000268966082 328187570 /nfs/dbraw/zinc/18/75/70/328187570.db2.gz YMWHPEMLZUMHCZ-GOEBONIOSA-N 1 0 291.439 2.124 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCNC(=O)OC(C)(C)C)c1 ZINC000083454461 326936642 /nfs/dbraw/zinc/93/66/42/326936642.db2.gz HKUICPHOARYHEN-UHFFFAOYSA-N 1 0 280.368 2.315 20 10 CECDRO COc1cccc(C[NH2+][C@H](CO)C2CCCC2)c1O ZINC000289514142 327408685 /nfs/dbraw/zinc/40/86/85/327408685.db2.gz IGROEFQNQZZVPN-CYBMUJFWSA-N 1 0 265.353 2.042 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[S@](=O)CC[C@@H]2C)cc1C ZINC000377305709 329010669 /nfs/dbraw/zinc/01/06/69/329010669.db2.gz MPOZBEMUNUWVFF-ORAYPTAESA-N 1 0 281.421 2.352 20 10 CECDRO Cc1cccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1O ZINC000377706858 329026419 /nfs/dbraw/zinc/02/64/19/329026419.db2.gz 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/nfs/dbraw/zinc/06/36/79/329063679.db2.gz RWMWYSBMHKHQRO-LLVKDONJSA-N 1 0 273.760 2.161 20 10 CECDRO Cc1cccc(C[NH+]2CCC(n3cncn3)CC2)c1O ZINC000179902233 329213209 /nfs/dbraw/zinc/21/32/09/329213209.db2.gz MTXPPEGUHSNSRP-UHFFFAOYSA-N 1 0 272.352 2.129 20 10 CECDRO CCOc1ccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c(O)c1 ZINC000527765595 330281705 /nfs/dbraw/zinc/28/17/05/330281705.db2.gz JNEZVZNARJTOJX-WBMJQRKESA-N 1 0 277.364 2.448 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC[C@@H](C)CO)c1 ZINC000230669729 333320242 /nfs/dbraw/zinc/32/02/42/333320242.db2.gz FCCDDBYQABVROY-NEPJUHHUSA-N 1 0 267.369 2.460 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1cc(F)ccc1O ZINC000251791526 334369787 /nfs/dbraw/zinc/36/97/87/334369787.db2.gz VZBKCRZSEROYNE-UBHSHLNASA-N 1 0 294.370 2.045 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000252566747 334382714 /nfs/dbraw/zinc/38/27/14/334382714.db2.gz ZVOGOFMNQMJISF-SOUVJXGZSA-N 1 0 290.407 2.214 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H](C[NH+](C)C)C2)c1O ZINC000079435161 518287825 /nfs/dbraw/zinc/28/78/25/518287825.db2.gz LUIZXYUNMCOJOV-LBPRGKRZSA-N 1 0 294.370 2.117 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](CCO)CCCOC)cc1 ZINC000276034655 520892217 /nfs/dbraw/zinc/89/22/17/520892217.db2.gz RXUNMPIIFDZCHD-UHFFFAOYSA-N 1 0 294.439 2.364 20 10 CECDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000125926942 521139554 /nfs/dbraw/zinc/13/95/54/521139554.db2.gz HUTRSVTUVVPYGN-CABCVRRESA-N 1 0 289.375 2.443 20 10 CECDRO CCOc1ccc(O)c(C[NH2+]CC[C@@H](C)OC)c1 ZINC000263844101 521152570 /nfs/dbraw/zinc/15/25/70/521152570.db2.gz ZGYNEWUOZHLULQ-LLVKDONJSA-N 1 0 253.342 2.306 20 10 CECDRO CCOc1cccc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1O ZINC000141908268 521346472 /nfs/dbraw/zinc/34/64/72/521346472.db2.gz QCOWIXQYAGAYRH-BETUJISGSA-N 1 0 278.396 2.315 20 10 CECDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1O ZINC000275019773 521354916 /nfs/dbraw/zinc/35/49/16/521354916.db2.gz ZUXKWVZICGEBHY-NSHDSACASA-N 1 0 264.369 2.175 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)[C@H](C)OC)c1O ZINC000289799756 521374110 /nfs/dbraw/zinc/37/41/10/521374110.db2.gz MCSIHBVNVZINBQ-MNOVXSKESA-N 1 0 253.342 2.304 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](C)[C@@H](C)OC)c1O ZINC000289799755 521374843 /nfs/dbraw/zinc/37/48/43/521374843.db2.gz MCSIHBVNVZINBQ-GHMZBOCLSA-N 1 0 253.342 2.304 20 10 CECDRO CCOc1cccc(C[NH2+][C@H](COC)[C@H]2CCCO2)c1O ZINC000278604507 521376378 /nfs/dbraw/zinc/37/63/78/521376378.db2.gz ICLJSEJQRKOOQR-ZIAGYGMSSA-N 1 0 295.379 2.075 20 10 CECDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273392034 521743661 /nfs/dbraw/zinc/74/36/61/521743661.db2.gz LBFPGJGANNTBTL-VXGBXAGGSA-N 1 0 290.407 2.446 20 10 CECDRO COC(=O)c1ccc(C[NH2+]Cc2cc(C)ccc2O)o1 ZINC000265189396 522033217 /nfs/dbraw/zinc/03/32/17/522033217.db2.gz OHRNFEBANPNHBQ-UHFFFAOYSA-N 1 0 275.304 2.370 20 10 CECDRO CN(C)c1ccc(C[N@H+](C)CCCCO)cc1F ZINC000276742123 522168315 /nfs/dbraw/zinc/16/83/15/522168315.db2.gz ZIQPHENRPBGYOK-UHFFFAOYSA-N 1 0 254.349 2.096 20 10 CECDRO CN(C)c1ccc(CNC(=O)C[N@H+](C)C2CCCC2)cc1 ZINC000280371137 522187970 /nfs/dbraw/zinc/18/79/70/522187970.db2.gz UULJBRIWUGGLJL-UHFFFAOYSA-N 1 0 289.423 2.243 20 10 CECDRO CC[C@H]([NH2+]CCS(=O)(=O)CC)c1ccc(C)cc1O ZINC000280089831 522596569 /nfs/dbraw/zinc/59/65/69/522596569.db2.gz MGZATEOEHAZFKE-ZDUSSCGKSA-N 1 0 285.409 2.176 20 10 CECDRO C[N@H+](Cc1cc(-c2ccccc2)ccc1O)[C@@H]1COC[C@H]1O ZINC000289832161 523158946 /nfs/dbraw/zinc/15/89/46/523158946.db2.gz UIBRYUNGWOBKEL-SJLPKXTDSA-N 1 0 299.370 2.251 20 10 CECDRO COCCOCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000044694088 524011301 /nfs/dbraw/zinc/01/13/01/524011301.db2.gz NZBVENKEQZHFFI-GFCCVEGCSA-N 1 0 253.342 2.014 20 10 CECDRO C[C@@H](C(=O)NCc1ccccc1O)[NH+]1[C@H](C)CC[C@H]1C ZINC000263696158 524216472 /nfs/dbraw/zinc/21/64/72/524216472.db2.gz NLOMJAQNUFAERQ-UPJWGTAASA-N 1 0 276.380 2.270 20 10 CECDRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1ccccc1O ZINC000252819196 524228253 /nfs/dbraw/zinc/22/82/53/524228253.db2.gz MTLSXTRHMBKFLG-AGKHESDQSA-N 1 0 255.383 2.200 20 10 CECDRO COc1ccc(N2CCC([NH2+]C[C@@H]3CCCO3)CC2)cc1 ZINC000153098311 524404136 /nfs/dbraw/zinc/40/41/36/524404136.db2.gz WEQXMFIHPCPXJM-KRWDZBQOSA-N 1 0 290.407 2.433 20 10 CECDRO COc1ccc(O)c(C[N@H+](C(C)C)[C@@H]2CCOC2)c1 ZINC000291334932 524732363 /nfs/dbraw/zinc/73/23/63/524732363.db2.gz VCZPZUHOWAAFHV-CYBMUJFWSA-N 1 0 265.353 2.400 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2(O)CCCCC2)c1 ZINC000087016963 524749602 /nfs/dbraw/zinc/74/96/02/524749602.db2.gz UXLIHNNCNFZKBI-UHFFFAOYSA-N 1 0 265.353 2.186 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000278677242 524751943 /nfs/dbraw/zinc/75/19/43/524751943.db2.gz LZWRBJWVXUZUFT-INIZCTEOSA-N 1 0 291.322 2.363 20 10 CECDRO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(F)ccc1O)C[C@@H](C)O2 ZINC000280358008 525059416 /nfs/dbraw/zinc/05/94/16/525059416.db2.gz CJWQGBYLMDNNLE-HSMVNMDESA-N 1 0 295.354 2.300 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)cc1C ZINC000277808545 525317920 /nfs/dbraw/zinc/31/79/20/525317920.db2.gz YBHUHZBFPKGCLP-YJYMSZOUSA-N 1 0 281.421 2.352 20 10 CECDRO Cc1ccc(O)c(C[N@H+](C)CCN2CCOC(C)(C)C2)c1 ZINC000279327213 525340516 /nfs/dbraw/zinc/34/05/16/525340516.db2.gz CSZPBAGPFOJYOC-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291028388 525340739 /nfs/dbraw/zinc/34/07/39/525340739.db2.gz BBDTXAPKIAGHQU-GFCCVEGCSA-N 1 0 271.307 2.150 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000044495342 525446756 /nfs/dbraw/zinc/44/67/56/525446756.db2.gz NRFKHBXXEQWOAV-LBPRGKRZSA-N 1 0 258.369 2.337 20 10 CECDRO C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(F)ccc1O ZINC000297368734 525608744 /nfs/dbraw/zinc/60/87/44/525608744.db2.gz QJWOIDKDPUYRDD-JSGCOSHPSA-N 1 0 296.386 2.029 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000037282685 525633751 /nfs/dbraw/zinc/63/37/51/525633751.db2.gz VPZRJARNOYWIMO-IUODEOHRSA-N 1 0 275.396 2.072 20 10 CECDRO COc1cccc(C[N@@H+]2CCC23CCOCC3)c1O ZINC000365830922 525935429 /nfs/dbraw/zinc/93/54/29/525935429.db2.gz KXXIFAMNWSQEAQ-UHFFFAOYSA-N 1 0 263.337 2.156 20 10 CECDRO Cc1cc(C(=O)N2CC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC000237698039 526255190 /nfs/dbraw/zinc/25/51/90/526255190.db2.gz ATZIQUAZJUJRRY-UHFFFAOYSA-N 1 0 283.375 2.140 20 10 CECDRO Oc1ccccc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000020146614 526371491 /nfs/dbraw/zinc/37/14/91/526371491.db2.gz CASDELMNIAESFV-AWEZNQCLSA-N 1 0 265.353 2.068 20 10 CECDRO CCC[NH+]1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000731866203 574604272 /nfs/dbraw/zinc/60/42/72/574604272.db2.gz ZZPQVPJSWRDRFU-UHFFFAOYSA-N 1 0 268.382 2.058 20 10 CECDRO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000732287668 574617982 /nfs/dbraw/zinc/61/79/82/574617982.db2.gz ZKHPNKYEMJUOML-RISCZKNCSA-N 1 0 292.379 2.062 20 10 CECDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000733326121 574664388 /nfs/dbraw/zinc/66/43/88/574664388.db2.gz KAYZHHRSSIONDG-GFCCVEGCSA-N 1 0 288.370 2.403 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CCOC[C@@H]1CCOC1 ZINC000733328396 574664479 /nfs/dbraw/zinc/66/44/79/574664479.db2.gz SZNNJLAGFFAVPL-LLVKDONJSA-N 1 0 285.771 2.188 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H](CO)C2CC2)ccc1OC ZINC000734165438 574704408 /nfs/dbraw/zinc/70/44/08/574704408.db2.gz ZVKYTEBYMFBJPC-HNNXBMFYSA-N 1 0 279.380 2.092 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)C(C)(C)O ZINC000734841317 574731225 /nfs/dbraw/zinc/73/12/25/574731225.db2.gz LIQUXBRKWYJPJZ-SNVBAGLBSA-N 1 0 254.349 2.141 20 10 CECDRO CCOc1ccc(C[NH2+]C(CC)(CC)CO)c(O)c1 ZINC000734843222 574731667 /nfs/dbraw/zinc/73/16/67/574731667.db2.gz HCWOGZRQERCKMR-UHFFFAOYSA-N 1 0 267.369 2.432 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)C)cc1 ZINC000741678370 574993858 /nfs/dbraw/zinc/99/38/58/574993858.db2.gz PIWLYAVFZMPANK-CQSZACIVSA-N 1 0 291.439 2.441 20 10 CECDRO CCC(=O)N1CCC([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000742218796 575011535 /nfs/dbraw/zinc/01/15/35/575011535.db2.gz ILXQNSQVZCBZDK-UHFFFAOYSA-N 1 0 276.380 2.191 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@](C)(O)c2ccco2)c(O)c1 ZINC000742375770 575017852 /nfs/dbraw/zinc/01/78/52/575017852.db2.gz VVYPBHATWNOSKE-INIZCTEOSA-N 1 0 291.347 2.381 20 10 CECDRO C[C@H](O)C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743510947 575105576 /nfs/dbraw/zinc/10/55/76/575105576.db2.gz BFYVODTZIYWFHS-LBPRGKRZSA-N 1 0 293.367 2.056 20 10 CECDRO C[C@@H]1CCN(CC[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000744450294 575121707 /nfs/dbraw/zinc/12/17/07/575121707.db2.gz QOECRTRKBLBUHQ-LLVKDONJSA-N 1 0 268.788 2.477 20 10 CECDRO COC1CCC(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000749923699 575240199 /nfs/dbraw/zinc/24/01/99/575240199.db2.gz ZEJQAJGTCRGOSL-UHFFFAOYSA-N 1 0 293.363 2.416 20 10 CECDRO CN(C)c1cc[nH+]c(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000753012858 575317855 /nfs/dbraw/zinc/31/78/55/575317855.db2.gz BLEVMGULWQUGQN-XQRVVYSFSA-N 1 0 299.330 2.211 20 10 CECDRO C[NH2+]C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000310341898 625481073 /nfs/dbraw/zinc/48/10/73/625481073.db2.gz ODMXJPLTPUDXJL-UHFFFAOYSA-N 1 0 254.761 2.229 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccccc2O)cc1O ZINC000083431963 623218846 /nfs/dbraw/zinc/21/88/46/623218846.db2.gz ANTHRNWYOWOEIF-UHFFFAOYSA-N 1 0 259.305 2.396 20 10 CECDRO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000049948960 623271789 /nfs/dbraw/zinc/27/17/89/623271789.db2.gz TYDFCUXKKHEICF-DLBZAZTESA-N 1 0 290.407 2.180 20 10 CECDRO CN(C)c1ccc([C@@H](CNC(=O)C(C)(F)F)[NH+](C)C)cc1 ZINC000891250225 623327441 /nfs/dbraw/zinc/32/74/41/623327441.db2.gz VJLUJFMEWUYVNN-CYBMUJFWSA-N 1 0 299.365 2.127 20 10 CECDRO COC[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000307783673 623359345 /nfs/dbraw/zinc/35/93/45/623359345.db2.gz QXQYHBATLLVWHD-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(OC)ccc2O)[C@H]1OC ZINC000290301183 623647205 /nfs/dbraw/zinc/64/72/05/623647205.db2.gz HWTZHRWBDJEIMG-UCDYDWOKSA-N 1 0 295.379 2.244 20 10 CECDRO COc1cccc2c1OC[C@H]([NH2+]Cc1ccccc1O)C2 ZINC000077412392 623680527 /nfs/dbraw/zinc/68/05/27/623680527.db2.gz MAUBMUCCGMATLG-CQSZACIVSA-N 1 0 285.343 2.494 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)cc1C ZINC000161020460 623714833 /nfs/dbraw/zinc/71/48/33/623714833.db2.gz QTXHFBVHWUDGTK-UHFFFAOYSA-N 1 0 299.436 2.264 20 10 CECDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc(Cl)ccc1O ZINC000083407787 623856168 /nfs/dbraw/zinc/85/61/68/623856168.db2.gz VJFTZCWYIRDLBS-VHSXEESVSA-N 1 0 254.761 2.228 20 10 CECDRO COc1cccc(C[NH2+]C(C)(C)CN2CCCC2)c1O ZINC000308641399 623929760 /nfs/dbraw/zinc/92/97/60/623929760.db2.gz JZMJLHMRDWZJPD-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](C)c1ccccc1O ZINC000892037922 624266720 /nfs/dbraw/zinc/26/67/20/624266720.db2.gz PBBYBOUDMBJUKF-RYUDHWBXSA-N 1 0 279.384 2.126 20 10 CECDRO COc1ccc(C[N@@H+]2CCOC(C)(C)[C@H]2C)c(O)c1OC ZINC000892068844 624292215 /nfs/dbraw/zinc/29/22/15/624292215.db2.gz UTPVJMMOSMFHEY-LLVKDONJSA-N 1 0 295.379 2.409 20 10 CECDRO C[C@H](NC(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000892159225 624368387 /nfs/dbraw/zinc/36/83/87/624368387.db2.gz ORQLTBKOIRZQCS-STQMWFEESA-N 1 0 291.395 2.285 20 10 CECDRO Cc1c(C[NH2+]Cc2cc(Cl)ccc2O)cnn1C ZINC000156551653 624934925 /nfs/dbraw/zinc/93/49/25/624934925.db2.gz HMVCPHZQMRJRQS-UHFFFAOYSA-N 1 0 265.744 2.377 20 10 CECDRO OC[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000310711647 625905260 /nfs/dbraw/zinc/90/52/60/625905260.db2.gz CTSJFYXOSZBHFK-GXFFZTMASA-N 1 0 253.317 2.172 20 10 CECDRO CC(=O)OC[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000892732716 627737073 /nfs/dbraw/zinc/73/70/73/627737073.db2.gz JPSZBLGUYOLABF-LBPRGKRZSA-N 1 0 276.380 2.110 20 10 CECDRO CCn1cc(C[NH2+]CCCSc2nccs2)nn1 ZINC000893045266 627965303 /nfs/dbraw/zinc/96/53/03/627965303.db2.gz OMGNHEJIGVBLCD-UHFFFAOYSA-N 1 0 283.426 2.027 20 10 CECDRO CCc1ncc(C[NH2+]Cc2cc(OC)ccc2O)cn1 ZINC000840899412 628163925 /nfs/dbraw/zinc/16/39/25/628163925.db2.gz WVIJXDIGEQWBAX-UHFFFAOYSA-N 1 0 273.336 2.043 20 10 CECDRO C[C@H](CC(=O)NCc1ccccc1O)[C@H]1CCC[NH2+]C1 ZINC000228423537 628187130 /nfs/dbraw/zinc/18/71/30/628187130.db2.gz ZQGSEDRNSQLXEA-OLZOCXBDSA-N 1 0 276.380 2.034 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)c1 ZINC000185790528 628238836 /nfs/dbraw/zinc/23/88/36/628238836.db2.gz IUADWTQVBIBVQW-VXGBXAGGSA-N 1 0 285.409 2.174 20 10 CECDRO COc1ccc(C[NH2+]CC(C)(C)CCCO)c(O)c1OC ZINC000893287027 628248362 /nfs/dbraw/zinc/24/83/62/628248362.db2.gz XYJCUHBBJDPEIT-UHFFFAOYSA-N 1 0 297.395 2.298 20 10 CECDRO C[C@@H]([NH2+]CCCON)c1ccc2ccccc2c1O ZINC000902426575 634648296 /nfs/dbraw/zinc/64/82/96/634648296.db2.gz VIQOJHFUGYTWQE-LLVKDONJSA-N 1 0 260.337 2.476 20 10 CECDRO C[C@H](N)[C@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1 ZINC000925692501 628510142 /nfs/dbraw/zinc/51/01/42/628510142.db2.gz LPCYNFBNMXSUTP-GUYCJALGSA-N 1 0 269.392 2.489 20 10 CECDRO C[C@@H](N)[C@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1 ZINC000925692500 628510579 /nfs/dbraw/zinc/51/05/79/628510579.db2.gz LPCYNFBNMXSUTP-DYVFJYSZSA-N 1 0 269.392 2.489 20 10 CECDRO C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1ccc(N(C)C)cc1 ZINC000902448064 634671193 /nfs/dbraw/zinc/67/11/93/634671193.db2.gz XNAGISPLYRTMEW-DOMZBBRYSA-N 1 0 261.413 2.401 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C(C)(C)O ZINC000840933123 628750440 /nfs/dbraw/zinc/75/04/40/628750440.db2.gz LVYUGVYUWKXJAX-LBPRGKRZSA-N 1 0 250.386 2.310 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)[C@@H]1C ZINC000840942214 628791055 /nfs/dbraw/zinc/79/10/55/628791055.db2.gz VPAOFGRSNZJORA-CZUORRHYSA-N 1 0 290.407 2.444 20 10 CECDRO CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000925788129 628828609 /nfs/dbraw/zinc/82/86/09/628828609.db2.gz YJMTTZJCKYNJAA-UHOFOFEASA-N 1 0 261.413 2.401 20 10 CECDRO COCC[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840948522 628837285 /nfs/dbraw/zinc/83/72/85/628837285.db2.gz UZFAGIZYWPKYPV-QGZVFWFLSA-N 1 0 292.423 2.298 20 10 CECDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000841692513 628922118 /nfs/dbraw/zinc/92/21/18/628922118.db2.gz RRWQGVNHONOLIZ-RSQPEXBXSA-N 1 0 277.364 2.294 20 10 CECDRO Cc1cccc(O)c1CN1CC(OCC(F)F)C1 ZINC000877581052 629203899 /nfs/dbraw/zinc/20/38/99/629203899.db2.gz WYZDJZWIBYFAIY-UHFFFAOYSA-N 1 0 257.280 2.167 20 10 CECDRO COc1cc(C)cc(C[N@H+]2CCC[C@@H](OC)C2)c1O ZINC000178886439 629234244 /nfs/dbraw/zinc/23/42/44/629234244.db2.gz GMAKEAQJXHLLHM-CYBMUJFWSA-N 1 0 265.353 2.320 20 10 CECDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894253470 629261865 /nfs/dbraw/zinc/26/18/65/629261865.db2.gz CHGLTRJFMNKKDX-OAHLLOKOSA-N 1 0 267.369 2.350 20 10 CECDRO CCC[C@](C)(O)C[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894253469 629261884 /nfs/dbraw/zinc/26/18/84/629261884.db2.gz CHGLTRJFMNKKDX-HNNXBMFYSA-N 1 0 267.369 2.350 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(C)cc1O ZINC000794798812 629323149 /nfs/dbraw/zinc/32/31/49/629323149.db2.gz YTKPCXNXOGTBKN-OCCSQVGLSA-N 1 0 265.353 2.157 20 10 CECDRO CC[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(C)cc1O ZINC000794809084 629326386 /nfs/dbraw/zinc/32/63/86/629326386.db2.gz QGEFLXLYNCWPQD-ZBFHGGJFSA-N 1 0 292.423 2.462 20 10 CECDRO CC1(C)C[N@H+](Cc2cc(F)cc(F)c2[O-])CC[C@@H]1O ZINC000894533890 629516930 /nfs/dbraw/zinc/51/69/30/629516930.db2.gz KHMMHYJNIWAGKI-LBPRGKRZSA-N 1 0 271.307 2.263 20 10 CECDRO COc1ccc(C[NH+]2CC(C3CC3)C2)c(O)c1OC ZINC000894564470 629535206 /nfs/dbraw/zinc/53/52/06/629535206.db2.gz BRDRFRRVVDHXBZ-UHFFFAOYSA-N 1 0 263.337 2.251 20 10 CECDRO COc1ccc(C[NH2+]CC[C@H](C)F)c(O)c1OC ZINC000894622758 629562665 /nfs/dbraw/zinc/56/26/65/629562665.db2.gz BZHDKMIRGNGDNQ-VIFPVBQESA-N 1 0 257.305 2.247 20 10 CECDRO COCC[C@H](CO)[NH2+]Cc1ccc2ccccc2c1O ZINC000894656660 629577563 /nfs/dbraw/zinc/57/75/63/629577563.db2.gz UBIHVXHNSRTKIP-CQSZACIVSA-N 1 0 275.348 2.032 20 10 CECDRO COc1cc(C)cc(C[NH2+]Cc2cc(C)nn2C)c1O ZINC000894687700 629589180 /nfs/dbraw/zinc/58/91/80/629589180.db2.gz RHVIKGZECWNKMS-UHFFFAOYSA-N 1 0 275.352 2.041 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@@H](SC)C2)c(O)c1OC ZINC000894691862 629590093 /nfs/dbraw/zinc/59/00/93/629590093.db2.gz IQEUKXKVAIGXNS-LLVKDONJSA-N 1 0 283.393 2.347 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1O ZINC000894783026 629639827 /nfs/dbraw/zinc/63/98/27/629639827.db2.gz PGQHMPMGMBHOGV-ZFWWWQNUSA-N 1 0 292.423 2.481 20 10 CECDRO CC[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)[C@@H](O)C(F)F ZINC000894882029 629716237 /nfs/dbraw/zinc/71/62/37/629716237.db2.gz UEWVQMCDYFHVBG-ZWNOBZJWSA-N 1 0 289.322 2.203 20 10 CECDRO Cc1nnc([C@@H]2CC[N@H+](Cc3cc(C)c(C)cc3O)C2)[nH]1 ZINC000895007931 629800518 /nfs/dbraw/zinc/80/05/18/629800518.db2.gz PTDRKZAJVFSMSS-CYBMUJFWSA-N 1 0 286.379 2.425 20 10 CECDRO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000067382635 629837990 /nfs/dbraw/zinc/83/79/90/629837990.db2.gz MZLZQJGBBDMULN-OAHLLOKOSA-N 1 0 290.407 2.357 20 10 CECDRO CCCC[C@](C)(CO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895105710 629904567 /nfs/dbraw/zinc/90/45/67/629904567.db2.gz BUVSLWXPIYQNGN-MRXNPFEDSA-N 1 0 297.395 2.440 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1O ZINC000895440511 630191080 /nfs/dbraw/zinc/19/10/80/630191080.db2.gz SEHIIHQZCIBNCJ-UODUUCHISA-N 1 0 289.375 2.222 20 10 CECDRO COc1ccc(C[NH2+]C[C@@H]2CCOC2(C)C)c(O)c1OC ZINC000895455698 630198797 /nfs/dbraw/zinc/19/87/97/630198797.db2.gz CJIVLQVSPTWLNQ-LBPRGKRZSA-N 1 0 295.379 2.314 20 10 CECDRO COc1cc(C)cc(C[NH2+][C@H](C)c2ccnn2C)c1O ZINC000895461815 630203267 /nfs/dbraw/zinc/20/32/67/630203267.db2.gz BLQROBLSMONBCY-LLVKDONJSA-N 1 0 275.352 2.294 20 10 CECDRO CCOc1cccc(CNCc2nc(C(F)F)no2)c1O ZINC000895727834 630317808 /nfs/dbraw/zinc/31/78/08/630317808.db2.gz UWIQZILRUQBGFU-UHFFFAOYSA-N 1 0 299.277 2.401 20 10 CECDRO Oc1cccc2c1C[N@@H+]([C@@H]1CCC3(C[C@@H]1F)OCCO3)C2 ZINC000895785424 630343788 /nfs/dbraw/zinc/34/37/88/630343788.db2.gz QJMZHMLGYULMBX-UONOGXRCSA-N 1 0 293.338 2.342 20 10 CECDRO CCc1cccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)c1O ZINC000896125526 630474195 /nfs/dbraw/zinc/47/41/95/630474195.db2.gz JQAIHOIVRGQAJV-GXTWGEPZSA-N 1 0 277.364 2.386 20 10 CECDRO COc1cc(C)cc(C[NH2+]C[C@]2(OC)CCSC2)c1O ZINC000896566127 630600022 /nfs/dbraw/zinc/60/00/22/630600022.db2.gz ACOIDPIXAKMDHH-OAHLLOKOSA-N 1 0 297.420 2.321 20 10 CECDRO CCOc1ccc(C[NH2+]CC2=CCOCC2)c(O)c1 ZINC000824597837 635459964 /nfs/dbraw/zinc/45/99/64/635459964.db2.gz XSJUFTUAKBNSIS-UHFFFAOYSA-N 1 0 263.337 2.227 20 10 CECDRO OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1ccccc1O ZINC000897173555 630970567 /nfs/dbraw/zinc/97/05/67/630970567.db2.gz WYAIVXIGDJKDSX-OAHLLOKOSA-N 1 0 291.391 2.146 20 10 CECDRO Cc1cc(O)c(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000824948766 635529702 /nfs/dbraw/zinc/52/97/02/635529702.db2.gz GZDDCABDAKFLHE-TXEJJXNPSA-N 1 0 266.772 2.005 20 10 CECDRO Cc1cccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1O ZINC000897260943 631025783 /nfs/dbraw/zinc/02/57/83/631025783.db2.gz TUFJVOYNJMNDAT-OAHLLOKOSA-N 1 0 291.391 2.207 20 10 CECDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ccc(C)cc1O ZINC000897342133 631146191 /nfs/dbraw/zinc/14/61/91/631146191.db2.gz SAEBDZOPDXIVBN-AWEZNQCLSA-N 1 0 276.380 2.095 20 10 CECDRO C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000843130010 631772202 /nfs/dbraw/zinc/77/22/02/631772202.db2.gz WODOWBATUACDEZ-SFYZADRCSA-N 1 0 287.747 2.169 20 10 CECDRO C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000807141089 631810681 /nfs/dbraw/zinc/81/06/81/631810681.db2.gz QDZLLFHODXZFKY-QWHCGFSZSA-N 1 0 292.427 2.063 20 10 CECDRO Cc1cc(O)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1C ZINC000897621509 631825560 /nfs/dbraw/zinc/82/55/60/631825560.db2.gz FKXVBDSBBCGEDS-WBVHZDCISA-N 1 0 274.408 2.393 20 10 CECDRO CN(C)c1ccc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1F ZINC000897621579 631825728 /nfs/dbraw/zinc/82/57/28/631825728.db2.gz JGECZOVOFDWDOL-WMLDXEAASA-N 1 0 291.414 2.275 20 10 CECDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1=CC(=O)CS1 ZINC000807694567 631862834 /nfs/dbraw/zinc/86/28/34/631862834.db2.gz MUTWFBFRGYSXIJ-WDEREUQCSA-N 1 0 280.393 2.153 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1)CCCC2 ZINC000840116834 631871732 /nfs/dbraw/zinc/87/17/32/631871732.db2.gz FEQKIEKSRRTHJY-INIZCTEOSA-N 1 0 297.345 2.473 20 10 CECDRO C[C@@H]1CC2(CC([NH2+]Cc3cc4c(cc3O)OCO4)C2)CO1 ZINC000897781307 631913351 /nfs/dbraw/zinc/91/33/51/631913351.db2.gz UWBWYSGQCSYEPB-WCVRRQIGSA-N 1 0 291.347 2.168 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CC3)C1)[C@H](O)CO2 ZINC000808230837 631938319 /nfs/dbraw/zinc/93/83/19/631938319.db2.gz RBAQYQOZOGFQKZ-MLGOLLRUSA-N 1 0 289.375 2.440 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](CO)c2cccnc2)cc1C ZINC000808429973 631962641 /nfs/dbraw/zinc/96/26/41/631962641.db2.gz AKFITDRNYHGFLQ-INIZCTEOSA-N 1 0 286.375 2.270 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]Cc2cn(C)cn2)c1O ZINC000898043444 632035328 /nfs/dbraw/zinc/03/53/28/632035328.db2.gz PCUIADVMJMFDIG-UHFFFAOYSA-N 1 0 281.743 2.078 20 10 CECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCOC23CCOCC3)c1 ZINC000898116101 632056278 /nfs/dbraw/zinc/05/62/78/632056278.db2.gz MLRVPCWBQUHZML-HNNXBMFYSA-N 1 0 277.364 2.128 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CC[C@@H](O)C2CC2)c1O ZINC000898202422 632083663 /nfs/dbraw/zinc/08/36/63/632083663.db2.gz BDTXVPJQXFNHKF-GFCCVEGCSA-N 1 0 285.771 2.305 20 10 CECDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000809693232 632129010 /nfs/dbraw/zinc/12/90/10/632129010.db2.gz QVOPNDKWTPUJNP-CALCHBBNSA-N 1 0 290.407 2.132 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2CSC[C@H]2C)cc1OC ZINC000809702968 632130453 /nfs/dbraw/zinc/13/04/53/632130453.db2.gz KUKPTVQOXKQUQH-KOLCDFICSA-N 1 0 283.393 2.251 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000809723640 632133673 /nfs/dbraw/zinc/13/36/73/632133673.db2.gz ZHFLZJGSZQMACO-HNNXBMFYSA-N 1 0 287.359 2.094 20 10 CECDRO c1nc2n(c1C[NH2+]Cc1ccc3c(c1)CCCO3)CCOC2 ZINC000898263492 632134034 /nfs/dbraw/zinc/13/40/34/632134034.db2.gz IDIHDLDTBPJGMS-UHFFFAOYSA-N 1 0 299.374 2.028 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)CO)cc1 ZINC000809746134 632139214 /nfs/dbraw/zinc/13/92/14/632139214.db2.gz QKLYJIHNRMRMNM-CYBMUJFWSA-N 1 0 250.386 2.345 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2CC3(C2)OCCO3)c1 ZINC000927000223 632412175 /nfs/dbraw/zinc/41/21/75/632412175.db2.gz GJKKFXFCSAGZEI-NSHDSACASA-N 1 0 293.363 2.205 20 10 CECDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000041681711 632444700 /nfs/dbraw/zinc/44/47/00/632444700.db2.gz WWONZGFXQJCUMB-NSHDSACASA-N 1 0 264.373 2.121 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2ccnn2C)c(O)c1 ZINC000927128227 632482024 /nfs/dbraw/zinc/48/20/24/632482024.db2.gz GSGJOHZPEBNGBA-WFASDCNBSA-N 1 0 289.379 2.127 20 10 CECDRO COc1cc(O)c(C[NH2+]C/C=C/Cl)cc1OC ZINC000898434296 632495958 /nfs/dbraw/zinc/49/59/58/632495958.db2.gz VCUNLUKKQFMHQU-ONEGZZNKSA-N 1 0 257.717 2.252 20 10 CECDRO COc1cc(O)c(C[NH2+]C[C@@](C)(OC)C2CC2)cc1OC ZINC000812772242 632574995 /nfs/dbraw/zinc/57/49/95/632574995.db2.gz BTMVNSVLUZDLKY-MRXNPFEDSA-N 1 0 295.379 2.314 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCO[C@H]2CCCCO2)cc1 ZINC000813333210 632671702 /nfs/dbraw/zinc/67/17/02/632671702.db2.gz KQZMAMHVADILOY-INIZCTEOSA-N 1 0 278.396 2.385 20 10 CECDRO Cc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)ccc1N(C)C ZINC000815037332 632951137 /nfs/dbraw/zinc/95/11/37/632951137.db2.gz IAHLZBTUZUFCLK-UKRRQHHQSA-N 1 0 289.423 2.147 20 10 CECDRO Cc1cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)ccc1N(C)C ZINC000815037768 632951667 /nfs/dbraw/zinc/95/16/67/632951667.db2.gz VHCKBVWTYUJUSV-HNNXBMFYSA-N 1 0 289.423 2.291 20 10 CECDRO CCN(C)c1ccc(C[N@H+](CCOC)[C@H]2CCOC2)cc1 ZINC000815104522 632960395 /nfs/dbraw/zinc/96/03/95/632960395.db2.gz MTPJBEVTSVPZRL-KRWDZBQOSA-N 1 0 292.423 2.380 20 10 CECDRO CCc1nocc1C[NH2+]Cc1cc(OC)ccc1O ZINC000815125935 632964907 /nfs/dbraw/zinc/96/49/07/632964907.db2.gz DCCRTPVNOMFRCN-UHFFFAOYSA-N 1 0 262.309 2.241 20 10 CECDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc(F)ccc2O)C1 ZINC000826901930 635877035 /nfs/dbraw/zinc/87/70/35/635877035.db2.gz DWBNOXZEHFPZCC-GLQYFDAESA-N 1 0 297.370 2.187 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2ccccc2c1O)C(=O)NCCF ZINC000816600378 633420617 /nfs/dbraw/zinc/42/06/17/633420617.db2.gz VLFYDDISOJPOGX-LLVKDONJSA-N 1 0 290.338 2.109 20 10 CECDRO C[N@@H+]1C[C@@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])[C@@H]2C1 ZINC000816617217 633450821 /nfs/dbraw/zinc/45/08/21/633450821.db2.gz RCXMKXBJBWTQFZ-TVQRCGJNSA-N 1 0 284.762 2.321 20 10 CECDRO CN(C)C(=O)OC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000816654770 633458013 /nfs/dbraw/zinc/45/80/13/633458013.db2.gz XLTUZWIURIWMCQ-UHFFFAOYSA-N 1 0 296.342 2.194 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCN(C)C[C@H]2CC)c(O)c1 ZINC000816660949 633458434 /nfs/dbraw/zinc/45/84/34/633458434.db2.gz VZYLODATEWVLOF-CQSZACIVSA-N 1 0 278.396 2.317 20 10 CECDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)CC1=O ZINC000817410315 633649475 /nfs/dbraw/zinc/64/94/75/633649475.db2.gz AIQZESXDZKZCLX-OAHLLOKOSA-N 1 0 290.407 2.352 20 10 CECDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000817415546 633654376 /nfs/dbraw/zinc/65/43/76/633654376.db2.gz UXMPSTKBCWZIKS-NWDGAFQWSA-N 1 0 279.336 2.168 20 10 CECDRO [NH3+][C@@H]1CCC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000817897881 633759465 /nfs/dbraw/zinc/75/94/65/633759465.db2.gz CXUXBGIUCJHDMD-CVEARBPZSA-N 1 0 259.397 2.256 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1cnccc1N ZINC000817902838 633763727 /nfs/dbraw/zinc/76/37/27/633763727.db2.gz ZDFQMUQPOCPGFO-LLVKDONJSA-N 1 0 269.348 2.280 20 10 CECDRO C[C@@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCCC[NH2+]1 ZINC000817902847 633764164 /nfs/dbraw/zinc/76/41/64/633764164.db2.gz ZKQSRGFBQONGEZ-DOMZBBRYSA-N 1 0 260.381 2.242 20 10 CECDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)[C@H]1C[C@H]1C ZINC000817940885 633789768 /nfs/dbraw/zinc/78/97/68/633789768.db2.gz LWGVLZUMHYQXIA-GUYJKWIASA-N 1 0 261.413 2.387 20 10 CECDRO Cc1cc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)no1 ZINC000817944316 633791430 /nfs/dbraw/zinc/79/14/30/633791430.db2.gz ZCLSPZQGXWHMER-IUODEOHRSA-N 1 0 288.395 2.400 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCC[NH2+]C1 ZINC000817948297 633795180 /nfs/dbraw/zinc/79/51/80/633795180.db2.gz WUMKMQKYRGQTAD-WOPDTQHZSA-N 1 0 293.367 2.339 20 10 CECDRO CC[NH2+]CCN[C@@H](C)c1cc(Br)ccc1O ZINC000817952167 633796323 /nfs/dbraw/zinc/79/63/23/633796323.db2.gz OJFPKPNZPDZVLO-VIFPVBQESA-N 1 0 287.201 2.415 20 10 CECDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCc1ccc(N)cc1 ZINC000817956290 633800211 /nfs/dbraw/zinc/80/02/11/633800211.db2.gz VTPTWLCECGGTKR-HNNXBMFYSA-N 1 0 270.380 2.212 20 10 CECDRO C[C@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)c2c1c(F)ccc2O ZINC000817969572 633811335 /nfs/dbraw/zinc/81/13/35/633811335.db2.gz XMPJMWMKSLIYNG-HOSYDEDBSA-N 1 0 264.344 2.421 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817969900 633811663 /nfs/dbraw/zinc/81/16/63/633811663.db2.gz HWOLFWQFFVUMIG-GARJFASQSA-N 1 0 279.340 2.221 20 10 CECDRO C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(F)cc1[O-] ZINC000817972629 633815284 /nfs/dbraw/zinc/81/52/84/633815284.db2.gz YUPWLFSBZGQKLI-NRUUGDAUSA-N 1 0 252.333 2.180 20 10 CECDRO C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cc(F)cc(F)c1[O-] ZINC000817976583 633820034 /nfs/dbraw/zinc/82/00/34/633820034.db2.gz OGDVTOLMXNWHRQ-ZANVPECISA-N 1 0 282.334 2.463 20 10 CECDRO Cc1ccc([C@H](C)N[C@@H]2C[NH2+]CCC2(F)F)c(O)c1 ZINC000817979438 633821567 /nfs/dbraw/zinc/82/15/67/633821567.db2.gz BBGMKUDDHHZALO-GXFFZTMASA-N 1 0 270.323 2.348 20 10 CECDRO O=C(NCc1ccccc1O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901125509 633955517 /nfs/dbraw/zinc/95/55/17/633955517.db2.gz YESIKYUBAGGYHU-KGLIPLIRSA-N 1 0 274.364 2.025 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cn2)cc1 ZINC000818941008 634011914 /nfs/dbraw/zinc/01/19/14/634011914.db2.gz AUGCAIJWVSEMLY-MRXNPFEDSA-N 1 0 289.354 2.110 20 10 CECDRO CC[C@@H](O)C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000818963984 634019060 /nfs/dbraw/zinc/01/90/60/634019060.db2.gz HJKMNWLRFUCEOW-OAHLLOKOSA-N 1 0 280.437 2.100 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822504296 634932915 /nfs/dbraw/zinc/93/29/15/634932915.db2.gz RBMQPJHVXJTHPB-QGZVFWFLSA-N 1 0 299.422 2.490 20 10 CECDRO Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000822503342 634933267 /nfs/dbraw/zinc/93/32/67/634933267.db2.gz GKINBRQFBMKPDC-NSHDSACASA-N 1 0 292.770 2.474 20 10 CECDRO Cc1cccc(C[N@H+]2CCC[C@H]3CN(C)C[C@H]32)c1O ZINC000822521200 634936053 /nfs/dbraw/zinc/93/60/53/634936053.db2.gz YDFBVHXCYISKCM-DZGCQCFKSA-N 1 0 260.381 2.227 20 10 CECDRO CC[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(N(C)C)cc1 ZINC000903321427 635054848 /nfs/dbraw/zinc/05/48/48/635054848.db2.gz FCRDFGGLGADUSA-HOTGVXAUSA-N 1 0 261.413 2.497 20 10 CECDRO CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C)cc1 ZINC000903321694 635055985 /nfs/dbraw/zinc/05/59/85/635055985.db2.gz HYTIDNREJRJHIP-CZUORRHYSA-N 1 0 261.413 2.497 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3n2CCOC3)c(O)c1 ZINC000903421063 635121978 /nfs/dbraw/zinc/12/19/78/635121978.db2.gz RIJQGYUAPXVVCC-GFCCVEGCSA-N 1 0 287.363 2.278 20 10 CECDRO Cc1cc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)ccc1N(C)C ZINC000823468332 635188552 /nfs/dbraw/zinc/18/85/52/635188552.db2.gz FUXONKNYFAIYKB-MRXNPFEDSA-N 1 0 299.422 2.490 20 10 CECDRO COc1ccc(N(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903763430 635257707 /nfs/dbraw/zinc/25/77/07/635257707.db2.gz JTQQMJZEGHZJQO-INIZCTEOSA-N 1 0 290.407 2.290 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@@H]3CC[C@]32C[NH3+])c1O ZINC000903853977 635305258 /nfs/dbraw/zinc/30/52/58/635305258.db2.gz IDCUYGKVVHMFAO-LRDDRELGSA-N 1 0 292.354 2.047 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CC[C@H]3CC[C@@]32C[NH3+])c1O ZINC000903853979 635305470 /nfs/dbraw/zinc/30/54/70/635305470.db2.gz IDCUYGKVVHMFAO-MLGOLLRUSA-N 1 0 292.354 2.047 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@]23CC[NH2+]C3)c1O ZINC000903864454 635313864 /nfs/dbraw/zinc/31/38/64/635313864.db2.gz VCJRNQADCHAGNN-MRXNPFEDSA-N 1 0 292.354 2.062 20 10 CECDRO CC(C)([NH3+])CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000903938900 635357160 /nfs/dbraw/zinc/35/71/60/635357160.db2.gz PKBJSLQFTGXMKD-UHFFFAOYSA-N 1 0 260.740 2.402 20 10 CECDRO CC[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2O)CCO1 ZINC000824383922 635417738 /nfs/dbraw/zinc/41/77/38/635417738.db2.gz WMCRKCJNSVSJNL-CHWSQXEVSA-N 1 0 265.353 2.448 20 10 CECDRO CC[C@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2O)CCO1 ZINC000824383928 635417763 /nfs/dbraw/zinc/41/77/63/635417763.db2.gz WMCRKCJNSVSJNL-STQMWFEESA-N 1 0 265.353 2.448 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](O)C2)cc1Cl ZINC000824491845 635435263 /nfs/dbraw/zinc/43/52/63/635435263.db2.gz XMJGZJGIWOROFA-NSHDSACASA-N 1 0 255.745 2.311 20 10 CECDRO CC[C@H](CO)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000824533866 635444597 /nfs/dbraw/zinc/44/45/97/635444597.db2.gz RHIWEWCVVGVQKU-GFCCVEGCSA-N 1 0 254.349 2.094 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccccc1O ZINC000824584264 635457702 /nfs/dbraw/zinc/45/77/02/635457702.db2.gz ZROUTIIPSNWWEM-GOEBONIOSA-N 1 0 292.423 2.280 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2CCOC2(C)C)c(O)c1 ZINC000824626017 635464371 /nfs/dbraw/zinc/46/43/71/635464371.db2.gz RUPDJYPURBWESJ-CQSZACIVSA-N 1 0 265.353 2.448 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H](C)CCCCO ZINC000824655680 635470923 /nfs/dbraw/zinc/47/09/23/635470923.db2.gz YTUXBNXDVGDEPH-LLVKDONJSA-N 1 0 253.342 2.042 20 10 CECDRO COc1cccc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1O ZINC000824846237 635510849 /nfs/dbraw/zinc/51/08/49/635510849.db2.gz QIQIZGJKTNUVOE-GDBMZVCRSA-N 1 0 291.391 2.288 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000825297378 635607976 /nfs/dbraw/zinc/60/79/76/635607976.db2.gz DDMDXVOBUWJONJ-CMPLNLGQSA-N 1 0 296.798 2.488 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H]2CN(C)CCO2)cc1Cl ZINC000825357518 635624475 /nfs/dbraw/zinc/62/44/75/635624475.db2.gz GJJADXAFSATVMF-ABAIWWIYSA-N 1 0 298.814 2.163 20 10 CECDRO CC1(C)C[NH2+]C[C@H]1NCc1cc(Br)ccc1O ZINC000904465329 635636357 /nfs/dbraw/zinc/63/63/57/635636357.db2.gz ZJUMZGVTTZLGIX-GFCCVEGCSA-N 1 0 299.212 2.242 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)C[S@@](C)=O)cc1Cl ZINC000825498104 635646819 /nfs/dbraw/zinc/64/68/19/635646819.db2.gz VJEXKPKCKMDXFQ-VVVCHXIZSA-N 1 0 275.801 2.211 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)C2CC2)cc1Cl ZINC000825916601 635731904 /nfs/dbraw/zinc/73/19/04/635731904.db2.gz QNNRWSBPMMLOQT-CYBMUJFWSA-N 1 0 255.745 2.215 20 10 CECDRO CC[C@H](CO)[N@H+](C)Cc1ccc(Br)cc1O ZINC000826030048 635741998 /nfs/dbraw/zinc/74/19/98/635741998.db2.gz NNWUVWMPHNOXBR-LLVKDONJSA-N 1 0 288.185 2.357 20 10 CECDRO C[C@H](CCO)[N@H+](C)Cc1ccc(Br)cc1O ZINC000826142667 635765530 /nfs/dbraw/zinc/76/55/30/635765530.db2.gz HRBCAKUSTVUBQI-SECBINFHSA-N 1 0 288.185 2.357 20 10 CECDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc(F)ccc2O)C1 ZINC000826901928 635876559 /nfs/dbraw/zinc/87/65/59/635876559.db2.gz DWBNOXZEHFPZCC-DFBGVHRSSA-N 1 0 297.370 2.187 20 10 CECDRO CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c(O)c1 ZINC000827152046 636237292 /nfs/dbraw/zinc/23/72/92/636237292.db2.gz PQHZXBHNKWSJOA-ATCWAGBWSA-N 1 0 279.380 2.240 20 10 CECDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(C)c(C)cc2O)C1 ZINC000827500780 636338588 /nfs/dbraw/zinc/33/85/88/636338588.db2.gz JVYNXHTZIRIHQB-BJHJDKERSA-N 1 0 263.337 2.050 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2OC)C[C@@H]1C ZINC000827545070 636349450 /nfs/dbraw/zinc/34/94/50/636349450.db2.gz SDQGNIMEJPXEQE-NWDGAFQWSA-N 1 0 293.363 2.032 20 10 CECDRO CC(C)(C[NH2+]Cc1cc(F)ccc1O)[C@@]1(O)CCCOC1 ZINC000827595183 636361539 /nfs/dbraw/zinc/36/15/39/636361539.db2.gz MDZWPFIMJXLQMD-MRXNPFEDSA-N 1 0 297.370 2.189 20 10 CECDRO Cc1cccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c1O ZINC000827593716 636361879 /nfs/dbraw/zinc/36/18/79/636361879.db2.gz ATWGNSOMQYCISH-QGZVFWFLSA-N 1 0 293.407 2.358 20 10 CECDRO CCOc1ccc(C[N@@H+]2CCC3(COC3)C2)c(O)c1 ZINC000827644802 636374693 /nfs/dbraw/zinc/37/46/93/636374693.db2.gz RQZJPUIQEVQWHF-UHFFFAOYSA-N 1 0 263.337 2.013 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCC(N3CCOC3=O)CC2)c1 ZINC000827740593 636408382 /nfs/dbraw/zinc/40/83/82/636408382.db2.gz CUBOGRVPBBGOCP-UHFFFAOYSA-N 1 0 290.363 2.117 20 10 CECDRO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1O ZINC000827946246 636466136 /nfs/dbraw/zinc/46/61/36/636466136.db2.gz BGXCZECCBAPCME-XQQFMLRXSA-N 1 0 276.380 2.300 20 10 CECDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827977903 636476506 /nfs/dbraw/zinc/47/65/06/636476506.db2.gz BMZVQVKHJXGZCJ-JSGCOSHPSA-N 1 0 276.380 2.444 20 10 CECDRO CCC[C@](C)([NH3+])C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000828668210 636651165 /nfs/dbraw/zinc/65/11/65/636651165.db2.gz ZKYHZOXIQTVMEW-BMIGLBTASA-N 1 0 280.368 2.096 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)cc1C ZINC000829764059 636924217 /nfs/dbraw/zinc/92/42/17/636924217.db2.gz FJQNKNOTAYJFGB-CVEARBPZSA-N 1 0 289.423 2.065 20 10 CECDRO [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000841084950 637256829 /nfs/dbraw/zinc/25/68/29/637256829.db2.gz QTDLUFHCWMKKCP-LDYMZIIASA-N 1 0 299.758 2.171 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCC2CCC2)cc1 ZINC000832267387 637529121 /nfs/dbraw/zinc/52/91/21/637529121.db2.gz RKVAYJHNWRLGDV-INIZCTEOSA-N 1 0 289.423 2.449 20 10 CECDRO Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)o1 ZINC000832284616 637533212 /nfs/dbraw/zinc/53/32/12/637533212.db2.gz KWFPGZPYEBKHFV-CQSZACIVSA-N 1 0 287.363 2.084 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCOC[C@@H]1CCCO1)CC2 ZINC000834588330 637882784 /nfs/dbraw/zinc/88/27/84/637882784.db2.gz AXOJEIMKPIMJRZ-KBPBESRZSA-N 1 0 277.364 2.165 20 10 CECDRO CC[C@@H]([NH2+]C(COC)COC)c1ccc(C)cc1O ZINC000834890551 637978876 /nfs/dbraw/zinc/97/88/76/637978876.db2.gz LAAJTQMAKRFLKY-CQSZACIVSA-N 1 0 267.369 2.403 20 10 CECDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834897827 637981282 /nfs/dbraw/zinc/98/12/82/637981282.db2.gz WALZAWALRLJZGL-SMDDNHRTSA-N 1 0 271.364 2.334 20 10 CECDRO COC[C@@](C)(CCO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835041423 638035163 /nfs/dbraw/zinc/03/51/63/638035163.db2.gz CBWLXXFYFCUXBU-FUTAKVPZSA-N 1 0 292.423 2.143 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CCNc2cnccn2)cc1 ZINC000835043649 638035241 /nfs/dbraw/zinc/03/52/41/638035241.db2.gz UASUAZSKKHFKIT-ARJAWSKDSA-N 1 0 297.406 2.258 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]C2(CC(N)=O)CCC2)cc1 ZINC000835046646 638037839 /nfs/dbraw/zinc/03/78/39/638037839.db2.gz LQHQKIBXHZQTCO-HYXAFXHYSA-N 1 0 287.407 2.154 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cc1C ZINC000835073093 638048909 /nfs/dbraw/zinc/04/89/09/638048909.db2.gz KYJJEDBYRVMRGV-CABCVRRESA-N 1 0 288.391 2.252 20 10 CECDRO Cc1cccc(O)c1C[N@H+](CCO)Cc1cccnc1 ZINC000876690455 650401948 /nfs/dbraw/zinc/40/19/48/650401948.db2.gz VRBCWHVQGJDREX-UHFFFAOYSA-N 1 0 272.348 2.090 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCN(C2CCC2)CC1 ZINC000876733917 650413543 /nfs/dbraw/zinc/41/35/43/650413543.db2.gz KQINYYPCPFCFRT-UHFFFAOYSA-N 1 0 260.381 2.371 20 10 CECDRO Nc1ccc(CCNC(=O)[C@H]([NH3+])C2CCCCCC2)cc1 ZINC000911782994 638407568 /nfs/dbraw/zinc/40/75/68/638407568.db2.gz NOBREBCISQTLEV-MRXNPFEDSA-N 1 0 289.423 2.225 20 10 CECDRO CN1CCCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000876769275 650426150 /nfs/dbraw/zinc/42/61/50/650426150.db2.gz QJIVPRQAFSZADW-KVPUOBJLSA-N 1 0 299.418 2.415 20 10 CECDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2O)C1 ZINC000876815239 650443750 /nfs/dbraw/zinc/44/37/50/650443750.db2.gz OPMWTMXSIUCCPD-AWEZNQCLSA-N 1 0 276.380 2.001 20 10 CECDRO O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCNc2ccccc21 ZINC000876851785 650458844 /nfs/dbraw/zinc/45/88/44/650458844.db2.gz NZTVOTFADRPGOR-WSROAFLRSA-N 1 0 271.364 2.001 20 10 CECDRO Cc1nn(C)cc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000156469509 639359105 /nfs/dbraw/zinc/35/91/05/639359105.db2.gz HBCGAAUKUFTEJB-UHFFFAOYSA-N 1 0 272.396 2.427 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000226582553 639554791 /nfs/dbraw/zinc/55/47/91/639554791.db2.gz DAZLYYQZOURPFP-HNNXBMFYSA-N 1 0 261.296 2.355 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCC(=O)NC(C)C)c(Cl)c1 ZINC000840876616 639569210 /nfs/dbraw/zinc/56/92/10/639569210.db2.gz XQWPIRXDRIMJMM-UHFFFAOYSA-N 1 0 284.787 2.358 20 10 CECDRO CC(C)(CC[NH2+][C@H]1CCc2cccc(O)c21)S(C)(=O)=O ZINC000840876858 639569383 /nfs/dbraw/zinc/56/93/83/639569383.db2.gz PNAQLMWXQAYKAJ-LBPRGKRZSA-N 1 0 297.420 2.182 20 10 CECDRO Cc1cc(O)c(C[NH2+]C[C@H](C)CCO)c(Cl)c1 ZINC000840901386 639578924 /nfs/dbraw/zinc/57/89/24/639578924.db2.gz JAGUMRRLMVBWBS-SECBINFHSA-N 1 0 257.761 2.462 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)CC(=O)NC(C)C ZINC000840910243 639582759 /nfs/dbraw/zinc/58/27/59/639582759.db2.gz OWRVEWPATROCGI-UHFFFAOYSA-N 1 0 277.412 2.017 20 10 CECDRO CCCC[N@H+](CC(N)=O)Cc1ccc(N(C)C)cc1C ZINC000840909982 639582993 /nfs/dbraw/zinc/58/29/93/639582993.db2.gz DBWCWXINRXQDQE-UHFFFAOYSA-N 1 0 277.412 2.148 20 10 CECDRO CC[C@H](CCO)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000168794426 639585013 /nfs/dbraw/zinc/58/50/13/639585013.db2.gz OWHDWTFQVZGVMS-GHMZBOCLSA-N 1 0 253.342 2.212 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc2ccccc2c1O ZINC000168829777 639586301 /nfs/dbraw/zinc/58/63/01/639586301.db2.gz AJWOOUTWBJPOIL-WDEREUQCSA-N 1 0 272.348 2.460 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840936562 639591521 /nfs/dbraw/zinc/59/15/21/639591521.db2.gz LGKIURFSIRLYQI-HZPDHXFCSA-N 1 0 289.423 2.065 20 10 CECDRO COC[C@@H](C[NH2+]Cc1c(O)cc(C)cc1Cl)OC ZINC000840937656 639592553 /nfs/dbraw/zinc/59/25/53/639592553.db2.gz UDEYHEBBOAUDSJ-SNVBAGLBSA-N 1 0 273.760 2.105 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000840942202 639595223 /nfs/dbraw/zinc/59/52/23/639595223.db2.gz VMQDFZVGCXSLPN-BBRMVZONSA-N 1 0 262.397 2.312 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCc1nccnc1C ZINC000840948235 639597738 /nfs/dbraw/zinc/59/77/38/639597738.db2.gz CXJDQENPHGMMRQ-UHFFFAOYSA-N 1 0 284.407 2.492 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000840953007 639598952 /nfs/dbraw/zinc/59/89/52/639598952.db2.gz KHNWRQIZRJBALF-VXGBXAGGSA-N 1 0 255.745 2.357 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000840951871 639599104 /nfs/dbraw/zinc/59/91/04/639599104.db2.gz KTGDSPSVJIGWCP-MRXNPFEDSA-N 1 0 262.397 2.312 20 10 CECDRO COC[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)OC ZINC000227704578 639602243 /nfs/dbraw/zinc/60/22/43/639602243.db2.gz AMHNECBFGATFAD-KRWDZBQOSA-N 1 0 292.423 2.428 20 10 CECDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](O)C(C)C ZINC000840968133 639604742 /nfs/dbraw/zinc/60/47/42/639604742.db2.gz VTOWULYUKAARKP-OCCSQVGLSA-N 1 0 267.369 2.286 20 10 CECDRO CCN(CC)c1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000841043659 639630898 /nfs/dbraw/zinc/63/08/98/639630898.db2.gz UUKMHSCAZSIUPE-OAHLLOKOSA-N 1 0 261.413 2.374 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CC[NH2+]1 ZINC000841061177 639637096 /nfs/dbraw/zinc/63/70/96/639637096.db2.gz FWGQDNUZVGBHAB-KOLCDFICSA-N 1 0 254.761 2.276 20 10 CECDRO COC[C@@]1(CNCc2cc(Cl)cc(C)c2O)CCC[NH2+]1 ZINC000841068178 639642222 /nfs/dbraw/zinc/64/22/22/639642222.db2.gz WVFHDRNEEMCPJF-HNNXBMFYSA-N 1 0 298.814 2.212 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)C)c1ccccc1O ZINC000228929452 639665287 /nfs/dbraw/zinc/66/52/87/639665287.db2.gz RNHQNXFXQZONGU-AAEUAGOBSA-N 1 0 264.369 2.346 20 10 CECDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2cccc(F)c2O)C1 ZINC000841107066 639683165 /nfs/dbraw/zinc/68/31/65/639683165.db2.gz USLXXAPJMMVVBX-CYBMUJFWSA-N 1 0 272.323 2.421 20 10 CECDRO CC[C@@H]([NH2+]CCc1ccn(C)n1)c1ccccc1O ZINC000229578678 639708297 /nfs/dbraw/zinc/70/82/97/639708297.db2.gz DDKCLFLKVUVEJH-CQSZACIVSA-N 1 0 259.353 2.409 20 10 CECDRO COc1cccc(C[NH2+][C@]2(C)CCO[C@@H]2C)c1O ZINC000230154037 639742802 /nfs/dbraw/zinc/74/28/02/639742802.db2.gz WPKFLCTWONQEEX-QMTHXVAHSA-N 1 0 251.326 2.058 20 10 CECDRO O[C@H]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000230666714 639776808 /nfs/dbraw/zinc/77/68/08/639776808.db2.gz AEVQLIIHGPPYIQ-WFASDCNBSA-N 1 0 261.365 2.262 20 10 CECDRO CC(C)[C@H](C)NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801627 639785065 /nfs/dbraw/zinc/78/50/65/639785065.db2.gz MOVLBUQHPIGSPL-ZDUSSCGKSA-N 1 0 289.423 2.059 20 10 CECDRO C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccc(N(C)C)cc1 ZINC000230898443 639805476 /nfs/dbraw/zinc/80/54/76/639805476.db2.gz FHSRXIRGMOEOEO-CYBMUJFWSA-N 1 0 272.396 2.379 20 10 CECDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841745308 639855495 /nfs/dbraw/zinc/85/54/95/639855495.db2.gz XHHWYAKLABWUSS-BDAKNGLRSA-N 1 0 270.760 2.221 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)[C@@H]1CN(C)CCO1 ZINC000841747807 639857332 /nfs/dbraw/zinc/85/73/32/639857332.db2.gz DPLLQRQHFYGNDX-RWSFTLGLSA-N 1 0 298.814 2.415 20 10 CECDRO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)[NH3+] ZINC000841988209 639916316 /nfs/dbraw/zinc/91/63/16/639916316.db2.gz ZTPRWYSLYMFMJE-GFCCVEGCSA-N 1 0 279.384 2.051 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CC[S@](=O)C(C)(C)C ZINC000877056949 650551860 /nfs/dbraw/zinc/55/18/60/650551860.db2.gz XXANVYOABIYWSM-SFHVURJKSA-N 1 0 269.410 2.337 20 10 CECDRO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CO[C@@H](C)C3)C2)cc1 ZINC000842713892 640157962 /nfs/dbraw/zinc/15/79/62/640157962.db2.gz JYQPDLKOCCQTQD-ZNMIVQPWSA-N 1 0 290.407 2.289 20 10 CECDRO Cc1ccc([C@H](C)[NH2+]CCCc2ncn(C)n2)c(O)c1C ZINC000842905320 640218234 /nfs/dbraw/zinc/21/82/34/640218234.db2.gz XSEXHGGFRHEGAG-ZDUSSCGKSA-N 1 0 288.395 2.421 20 10 CECDRO CC(C)(C[NH2+][C@H]1CCc2cccc(O)c21)[C@@]1(O)CCOC1 ZINC000842920953 640221112 /nfs/dbraw/zinc/22/11/12/640221112.db2.gz UKQTUCQXFLRAEZ-SUMWQHHRSA-N 1 0 291.391 2.147 20 10 CECDRO CCOc1ccc(O)c(CN2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000843044651 640249733 /nfs/dbraw/zinc/24/97/33/640249733.db2.gz DOROVGJFKBZZIP-SWLSCSKDSA-N 1 0 278.396 2.493 20 10 CECDRO [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843047789 640253006 /nfs/dbraw/zinc/25/30/06/640253006.db2.gz VGTMKOIJZZQGSI-SNVBAGLBSA-N 1 0 254.761 2.216 20 10 CECDRO C[NH2+][C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000843048593 640253756 /nfs/dbraw/zinc/25/37/56/640253756.db2.gz JIGRADKGQISKMD-CYBMUJFWSA-N 1 0 265.376 2.076 20 10 CECDRO CCOc1ccc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])c(O)c1 ZINC000843051954 640254702 /nfs/dbraw/zinc/25/47/02/640254702.db2.gz NDEPWYXZZKBUHU-DOMZBBRYSA-N 1 0 278.396 2.350 20 10 CECDRO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1[NH3+] ZINC000843052025 640255103 /nfs/dbraw/zinc/25/51/03/640255103.db2.gz OROTUMJYBITVGJ-BXKDBHETSA-N 1 0 254.761 2.215 20 10 CECDRO COc1cc(Cl)cc(CN(C2CC2)[C@H]2CC[NH2+]C2)c1O ZINC000843055397 640257351 /nfs/dbraw/zinc/25/73/51/640257351.db2.gz ISLMQZWIGTYICF-ZDUSSCGKSA-N 1 0 296.798 2.381 20 10 CECDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000843054986 640257485 /nfs/dbraw/zinc/25/74/85/640257485.db2.gz BRHFXBAGRAECCE-CYBMUJFWSA-N 1 0 265.376 2.076 20 10 CECDRO CN(C)c1ccc(CN2CC[NH2+]CC2(C)C)cc1F ZINC000843054247 640257732 /nfs/dbraw/zinc/25/77/32/640257732.db2.gz HLYBFWHABXYBFB-UHFFFAOYSA-N 1 0 265.376 2.076 20 10 CECDRO CCOc1ccc(O)c(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000843056333 640258117 /nfs/dbraw/zinc/25/81/17/640258117.db2.gz YHOQCXPVLNFCJD-CQSZACIVSA-N 1 0 276.380 2.117 20 10 CECDRO C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000843057874 640259687 /nfs/dbraw/zinc/25/96/87/640259687.db2.gz NFFQESDXLDGPEL-VHSXEESVSA-N 1 0 299.212 2.324 20 10 CECDRO C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000843058522 640261089 /nfs/dbraw/zinc/26/10/89/640261089.db2.gz VBMSODVKMFUOCS-VHSXEESVSA-N 1 0 254.761 2.215 20 10 CECDRO Oc1c(F)cccc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000843129005 640295569 /nfs/dbraw/zinc/29/55/69/640295569.db2.gz OEHMMUHQRXLMQQ-ZDUSSCGKSA-N 1 0 264.344 2.296 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000877093078 650569199 /nfs/dbraw/zinc/56/91/99/650569199.db2.gz NNTNQJPJDYCABQ-CYBMUJFWSA-N 1 0 275.348 2.234 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1F ZINC000152988681 640379402 /nfs/dbraw/zinc/37/94/02/640379402.db2.gz QGDQJVVYWWFWNK-KYOSRNDESA-N 1 0 264.344 2.301 20 10 CECDRO CC(C)Cn1ncnc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000843352268 640400814 /nfs/dbraw/zinc/40/08/14/640400814.db2.gz WWDNETATGQLWIL-UHFFFAOYSA-N 1 0 299.422 2.346 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000843418029 640421779 /nfs/dbraw/zinc/42/17/79/640421779.db2.gz NTFRTGXJUYSRAF-HNNXBMFYSA-N 1 0 295.404 2.109 20 10 CECDRO CCCC[C@@](C)(CO)[NH2+]Cc1cc(OC)ccc1O ZINC000843426346 640425895 /nfs/dbraw/zinc/42/58/95/640425895.db2.gz UBSGVCSBOGGUHG-HNNXBMFYSA-N 1 0 267.369 2.432 20 10 CECDRO Cc1ccc(C[NH2+]Cc2cccc(N(C)C)n2)c(O)c1 ZINC000877117737 650579928 /nfs/dbraw/zinc/57/99/28/650579928.db2.gz SKADSVLZLMKXGG-UHFFFAOYSA-N 1 0 271.364 2.451 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000844186650 640626362 /nfs/dbraw/zinc/62/63/62/640626362.db2.gz MGOXMMIYTQOJIP-WBMJQRKESA-N 1 0 289.423 2.065 20 10 CECDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(C)cc1O ZINC000877149921 650596009 /nfs/dbraw/zinc/59/60/09/650596009.db2.gz VJHFYHVPZSHLSV-UHFFFAOYSA-N 1 0 251.326 2.132 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCC(=O)N2)cc1 ZINC000844272100 640650252 /nfs/dbraw/zinc/65/02/52/640650252.db2.gz UBSYVTLMSOUIOD-HNNXBMFYSA-N 1 0 289.423 2.243 20 10 CECDRO C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000844922926 640867349 /nfs/dbraw/zinc/86/73/49/640867349.db2.gz DFCFEGGCQWGVSA-LLVKDONJSA-N 1 0 293.367 2.341 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1OC ZINC000154419596 640892225 /nfs/dbraw/zinc/89/22/25/640892225.db2.gz IUDRXFYHFCUNIM-HNNXBMFYSA-N 1 0 295.379 2.145 20 10 CECDRO CCn1nccc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000845971931 641142053 /nfs/dbraw/zinc/14/20/53/641142053.db2.gz OFUINVHULBAWQJ-NSHDSACASA-N 1 0 275.352 2.468 20 10 CECDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1ccccc1O ZINC000846096361 641179766 /nfs/dbraw/zinc/17/97/66/641179766.db2.gz GWODYRQELKZHGG-OCCSQVGLSA-N 1 0 276.380 2.301 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000846106565 641184630 /nfs/dbraw/zinc/18/46/30/641184630.db2.gz CLLCNNMTHOFEMY-KRWDZBQOSA-N 1 0 292.423 2.082 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCCO2)c1O ZINC000846138935 641198058 /nfs/dbraw/zinc/19/80/58/641198058.db2.gz XZDBSUMIARXOAK-QWRGUYRKSA-N 1 0 251.326 2.230 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)c1O ZINC000846156546 641206038 /nfs/dbraw/zinc/20/60/38/641206038.db2.gz FYDOUQYCNLUUFC-PRHODGIISA-N 1 0 293.285 2.365 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H](CO)CC2CC2)c1O ZINC000846157376 641207069 /nfs/dbraw/zinc/20/70/69/641207069.db2.gz MARSSZCLNNVSBG-CMPLNLGQSA-N 1 0 265.353 2.212 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H](C)C[C@H](C)O)c1O ZINC000846163037 641209452 /nfs/dbraw/zinc/20/94/52/641209452.db2.gz KGXWMBKHWIZUAI-VWYCJHECSA-N 1 0 253.342 2.211 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]CCC2(O)CCC2)c1O ZINC000846172661 641211633 /nfs/dbraw/zinc/21/16/33/641211633.db2.gz OBPABRCDBOYZAD-LLVKDONJSA-N 1 0 265.353 2.357 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000846190566 641217370 /nfs/dbraw/zinc/21/73/70/641217370.db2.gz RFWZVQIAAVBPCA-FPMFFAJLSA-N 1 0 275.396 2.057 20 10 CECDRO C[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)c2c1c(F)ccc2O ZINC000846205109 641220422 /nfs/dbraw/zinc/22/04/22/641220422.db2.gz FAVAIJPBWWLUNQ-CMPLNLGQSA-N 1 0 292.354 2.292 20 10 CECDRO CCN1C[C@H](C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1=O ZINC000846207499 641221454 /nfs/dbraw/zinc/22/14/54/641221454.db2.gz CFUZFEQEIJLQCJ-QWRGUYRKSA-N 1 0 280.343 2.050 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CCF)c(O)c1C ZINC000846209333 641222846 /nfs/dbraw/zinc/22/28/46/641222846.db2.gz QJEANJRWWPHIRQ-NEPJUHHUSA-N 1 0 255.333 2.380 20 10 CECDRO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc(N)cc1 ZINC000846310635 641268339 /nfs/dbraw/zinc/26/83/39/641268339.db2.gz OKELFJTXYGBHMM-UHFFFAOYSA-N 1 0 278.400 2.368 20 10 CECDRO C[C@H](NC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1O ZINC000877256127 650644442 /nfs/dbraw/zinc/64/44/42/650644442.db2.gz NVYAITMEBNGQMX-YVEFUNNKSA-N 1 0 296.370 2.456 20 10 CECDRO Cn1cncc1CCC(=O)NCc1cc(Cl)ccc1O ZINC000846474622 641312362 /nfs/dbraw/zinc/31/23/62/641312362.db2.gz XJADGXWRMPQZMV-UHFFFAOYSA-N 1 0 293.754 2.028 20 10 CECDRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000179873540 641388563 /nfs/dbraw/zinc/38/85/63/641388563.db2.gz JRLLXVLDAGLQHK-STQMWFEESA-N 1 0 267.369 2.076 20 10 CECDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877323474 650676376 /nfs/dbraw/zinc/67/63/76/650676376.db2.gz PHEITDSTJSQNEF-VXGBXAGGSA-N 1 0 265.353 2.378 20 10 CECDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877322713 650675365 /nfs/dbraw/zinc/67/53/65/650675365.db2.gz CCHBKYJHWDKALZ-NEPJUHHUSA-N 1 0 265.353 2.378 20 10 CECDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000182431053 641658260 /nfs/dbraw/zinc/65/82/60/641658260.db2.gz WVAFCWFNBOYPBC-KBPBESRZSA-N 1 0 278.396 2.209 20 10 CECDRO C[C@H]1CC[N@H+](CC(=O)NCCCSc2nccs2)C1 ZINC000847488455 641673404 /nfs/dbraw/zinc/67/34/04/641673404.db2.gz YAADQPOIAMVVIJ-NSHDSACASA-N 1 0 299.465 2.083 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCC(C)C)c(O)c1 ZINC000185117387 641938213 /nfs/dbraw/zinc/93/82/13/641938213.db2.gz ADBVXONTKMSKIY-ZIAGYGMSSA-N 1 0 281.396 2.385 20 10 CECDRO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185329588 641965001 /nfs/dbraw/zinc/96/50/01/641965001.db2.gz JXCLECFNURCZFZ-LSDHHAIUSA-N 1 0 292.423 2.462 20 10 CECDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185530979 641989477 /nfs/dbraw/zinc/98/94/77/641989477.db2.gz KVNLZPVSELAXLC-ONGXEEELSA-N 1 0 273.373 2.296 20 10 CECDRO CO[C@](C)(CO)C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000848559905 642053537 /nfs/dbraw/zinc/05/35/37/642053537.db2.gz VUXDZRXDWIVJDM-DOMZBBRYSA-N 1 0 267.369 2.057 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000769532501 642136566 /nfs/dbraw/zinc/13/65/66/642136566.db2.gz KFHUVPPNHUGXPS-HNNXBMFYSA-N 1 0 263.337 2.013 20 10 CECDRO CCC[C@H]1C(=O)NCC[N@H+]1Cc1cccc(CC)c1O ZINC000848891278 642174844 /nfs/dbraw/zinc/17/48/44/642174844.db2.gz YHLLBPSABNMWIQ-AWEZNQCLSA-N 1 0 276.380 2.055 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@H]2CCCN(C(C)=O)C2)c1O ZINC000848908546 642185099 /nfs/dbraw/zinc/18/50/99/642185099.db2.gz XCERSLHXAUPQRT-AWEZNQCLSA-N 1 0 290.407 2.303 20 10 CECDRO CCOC(=O)[C@H](F)C1C[NH+](Cc2cccc(CC)c2O)C1 ZINC000848913774 642187515 /nfs/dbraw/zinc/18/75/15/642187515.db2.gz DRECXEHGJMUVDP-CQSZACIVSA-N 1 0 295.354 2.288 20 10 CECDRO CCc1cccc(C[NH2+]C2(CC(=O)OC)CC2)c1O ZINC000848919105 642192022 /nfs/dbraw/zinc/19/20/22/642192022.db2.gz FKUHROSHLWQFPD-UHFFFAOYSA-N 1 0 263.337 2.140 20 10 CECDRO C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccccc1O ZINC000848919389 642192086 /nfs/dbraw/zinc/19/20/86/642192086.db2.gz KHFYGQDKJAMMIR-HIFRSBDPSA-N 1 0 290.407 2.296 20 10 CECDRO CO[C@](C)(CO)C[NH2+]Cc1ccc2ccccc2c1O ZINC000848922305 642194515 /nfs/dbraw/zinc/19/45/15/642194515.db2.gz QMMZNDMOCBAZEJ-INIZCTEOSA-N 1 0 275.348 2.032 20 10 CECDRO COc1ccc(C[NH2+]CC2CCN(C(C)=O)CC2)cc1C ZINC000997456702 642265642 /nfs/dbraw/zinc/26/56/42/642265642.db2.gz VWULSRNJPZIASZ-UHFFFAOYSA-N 1 0 290.407 2.352 20 10 CECDRO Cc1ccc(C[N@H+](C)CCN2CCOC(C)(C)C2)c(O)c1 ZINC000877485487 650744830 /nfs/dbraw/zinc/74/48/30/650744830.db2.gz WBNQDEPOWIVAPG-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000877485876 650744846 /nfs/dbraw/zinc/74/48/46/650744846.db2.gz BMROHJBTOVITQN-CZUORRHYSA-N 1 0 277.364 2.080 20 10 CECDRO COc1ccc(C[NH2+]Cc2cncc(OC)c2C)c(O)c1 ZINC000877493916 650749691 /nfs/dbraw/zinc/74/96/91/650749691.db2.gz QRBDESBQGBGPOU-UHFFFAOYSA-N 1 0 288.347 2.403 20 10 CECDRO Cc1ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)c(O)c1 ZINC000877526526 650766917 /nfs/dbraw/zinc/76/69/17/650766917.db2.gz JYQVIJKQXSMQBO-LLVKDONJSA-N 1 0 263.259 2.104 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O)cc1 ZINC000773104983 642567559 /nfs/dbraw/zinc/56/75/59/642567559.db2.gz PMHJKATVJIKPPW-STQMWFEESA-N 1 0 298.452 2.226 20 10 CECDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000850355442 642679553 /nfs/dbraw/zinc/67/95/53/642679553.db2.gz IRNGHHUXORTRME-VFVRVIDISA-N 1 0 267.394 2.172 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1C ZINC000850388372 642695714 /nfs/dbraw/zinc/69/57/14/642695714.db2.gz LVIXMJIIORILOE-HUUCEWRRSA-N 1 0 261.365 2.397 20 10 CECDRO COC(=O)N(C)CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000850389823 642696892 /nfs/dbraw/zinc/69/68/92/642696892.db2.gz IQSIWCAASTXQQI-WAYWQWQTSA-N 1 0 291.395 2.054 20 10 CECDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921831465 642706258 /nfs/dbraw/zinc/70/62/58/642706258.db2.gz WIYVHAMWXUXNGI-BUXKBTBVSA-N 1 0 281.421 2.258 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@@H](CO)C2CCC2)c1O ZINC000850487226 642729821 /nfs/dbraw/zinc/72/98/21/642729821.db2.gz GRLVGLBFOHHOPW-MFKMUULPSA-N 1 0 265.353 2.212 20 10 CECDRO COC[C@H]([NH2+][C@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 ZINC000850489976 642730826 /nfs/dbraw/zinc/73/08/26/642730826.db2.gz ZGDRAMIUHPMDLE-YOEHRIQHSA-N 1 0 290.407 2.289 20 10 CECDRO CCOC[C@H](C)[NH2+][C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850489957 642730917 /nfs/dbraw/zinc/73/09/17/642730917.db2.gz YWXYTHJGVNDUAK-KBPBESRZSA-N 1 0 278.396 2.289 20 10 CECDRO C[C@@H](CF)[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877548695 650780847 /nfs/dbraw/zinc/78/08/47/650780847.db2.gz RKOVAHWHODLMMW-LBPRGKRZSA-N 1 0 266.360 2.095 20 10 CECDRO Cc1cccc(O)c1C[NH2+]CCc1nccnc1C ZINC000877552039 650782890 /nfs/dbraw/zinc/78/28/90/650782890.db2.gz JSTJFWONUKIAJZ-UHFFFAOYSA-N 1 0 257.337 2.131 20 10 CECDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922007770 642838949 /nfs/dbraw/zinc/83/89/49/642838949.db2.gz FYDLFPZBLBDROL-MPNWYJEXSA-N 1 0 261.365 2.428 20 10 CECDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C12CCC2 ZINC000922249015 642979720 /nfs/dbraw/zinc/97/97/20/642979720.db2.gz MJQRSZLBYXPCSQ-HZPDHXFCSA-N 1 0 273.376 2.405 20 10 CECDRO COC[C@H](C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1)OC ZINC000851732252 643132236 /nfs/dbraw/zinc/13/22/36/643132236.db2.gz MXZCKCJHHUOAPW-KRWDZBQOSA-N 1 0 292.423 2.378 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000877620983 650817584 /nfs/dbraw/zinc/81/75/84/650817584.db2.gz OPRPZXBABLVTOO-WMLDXEAASA-N 1 0 290.407 2.433 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000877620984 650817634 /nfs/dbraw/zinc/81/76/34/650817634.db2.gz OPRPZXBABLVTOO-YOEHRIQHSA-N 1 0 290.407 2.433 20 10 CECDRO CCOCc1cc(C[NH2+][C@@H]2COC[C@@H]2C)ccc1OC ZINC000922643501 643175665 /nfs/dbraw/zinc/17/56/65/643175665.db2.gz QQXBAHNJZYLDGS-SWLSCSKDSA-N 1 0 279.380 2.356 20 10 CECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCO)c1O ZINC000186912823 643358267 /nfs/dbraw/zinc/35/82/67/643358267.db2.gz ZGXVEGROUCDTEX-SECBINFHSA-N 1 0 288.185 2.496 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)CC2(CO)CC2)cc1 ZINC000773887901 643364235 /nfs/dbraw/zinc/36/42/35/643364235.db2.gz JHDZYYXPNIZFJL-UHFFFAOYSA-N 1 0 262.397 2.347 20 10 CECDRO COC(=O)[C@@]1(C)C[N@H+](Cc2c(C)cccc2O)C[C@@H]1C ZINC000877666311 650840472 /nfs/dbraw/zinc/84/04/72/650840472.db2.gz FUBHRYRWCJGMJA-LRDDRELGSA-N 1 0 277.364 2.332 20 10 CECDRO COc1cccc(O)c1C[NH2+]CCNc1ccc(C)cn1 ZINC000922926749 643455937 /nfs/dbraw/zinc/45/59/37/643455937.db2.gz WYXLITQXZRLBBB-UHFFFAOYSA-N 1 0 287.363 2.306 20 10 CECDRO COC[C@@H](C[NH2+]Cc1cc2c(cc1O)OCO2)C(C)C ZINC000922949511 643474747 /nfs/dbraw/zinc/47/47/47/643474747.db2.gz HWRAGDRDLIOSSC-GFCCVEGCSA-N 1 0 281.352 2.129 20 10 CECDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000852665060 643503578 /nfs/dbraw/zinc/50/35/78/643503578.db2.gz FYJZIIXQANOKOM-GJZGRUSLSA-N 1 0 260.381 2.221 20 10 CECDRO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877673384 650844829 /nfs/dbraw/zinc/84/48/29/650844829.db2.gz FMFAHFUYPGCSLG-OAHLLOKOSA-N 1 0 276.380 2.191 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@@H](O)C(F)F ZINC000877677420 650845868 /nfs/dbraw/zinc/84/58/68/650845868.db2.gz VGCGJNTUQCWOEI-CYBMUJFWSA-N 1 0 272.339 2.167 20 10 CECDRO Cc1cccc2c1CCN2C(=O)C=C1CC[NH2+]CC1 ZINC000852825240 643566340 /nfs/dbraw/zinc/56/63/40/643566340.db2.gz ICSZKZLOTALQNP-UHFFFAOYSA-N 1 0 256.349 2.194 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000852857308 643580582 /nfs/dbraw/zinc/58/05/82/643580582.db2.gz OXFGNSAVCBWMOI-SHTZXODSSA-N 1 0 289.423 2.229 20 10 CECDRO CCOCc1cc(C[NH2+]C2(C)COC2)ccc1OC ZINC000877691251 650852872 /nfs/dbraw/zinc/85/28/72/650852872.db2.gz LXEHVMMTUYMBRX-UHFFFAOYSA-N 1 0 265.353 2.110 20 10 CECDRO Cc1ccc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c(O)c1 ZINC000877693716 650853963 /nfs/dbraw/zinc/85/39/63/650853963.db2.gz ORERKHVRBOMMLE-KCJUWKMLSA-N 1 0 263.259 2.102 20 10 CECDRO C[NH2+]CCN(Cc1ccc(N(C)C)c(C)c1)C(C)C ZINC000923433543 643711097 /nfs/dbraw/zinc/71/10/97/643711097.db2.gz UTSVDSONLNYSFP-UHFFFAOYSA-N 1 0 263.429 2.491 20 10 CECDRO C[NH2+]C[C@H](C)NCc1cc(C)cc(Br)c1O ZINC000853248637 643722046 /nfs/dbraw/zinc/72/20/46/643722046.db2.gz HZGAVYPUPKEPBF-VIFPVBQESA-N 1 0 287.201 2.161 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000853554675 643811673 /nfs/dbraw/zinc/81/16/73/643811673.db2.gz BZTJFXHPTFKPNY-UKRRQHHQSA-N 1 0 288.391 2.110 20 10 CECDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000853584610 643823562 /nfs/dbraw/zinc/82/35/62/643823562.db2.gz AFZKRDUWTDMXBO-UKRRQHHQSA-N 1 0 261.365 2.477 20 10 CECDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C[C@@H]1CC1(C)C ZINC000853628031 643837289 /nfs/dbraw/zinc/83/72/89/643837289.db2.gz LTVMIQXMYVUHIE-SMDDNHRTSA-N 1 0 277.364 2.296 20 10 CECDRO COc1nccc(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000877758259 650899990 /nfs/dbraw/zinc/89/99/90/650899990.db2.gz PMTOYCZZLBRARN-JTQLQIEISA-N 1 0 259.309 2.042 20 10 CECDRO O=C1NCCC12CC[NH+](Cc1c(O)cccc1Cl)CC2 ZINC000877783143 650908816 /nfs/dbraw/zinc/90/88/16/650908816.db2.gz GBFZXQONVAKFBO-UHFFFAOYSA-N 1 0 294.782 2.148 20 10 CECDRO CCCNC(=O)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756355043 644634283 /nfs/dbraw/zinc/63/42/83/644634283.db2.gz GDHSMFFWUYPHNJ-GXSJLCMTSA-N 1 0 280.343 2.195 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CCC(=O)N(C)C)c2c1c(F)ccc2O ZINC000756517981 644657673 /nfs/dbraw/zinc/65/76/73/644657673.db2.gz RTYPBTQUGIEZLX-KOLCDFICSA-N 1 0 280.343 2.148 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756555116 644664459 /nfs/dbraw/zinc/66/44/59/644664459.db2.gz RGWZWFNTZXZMAK-NWDGAFQWSA-N 1 0 293.367 2.293 20 10 CECDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000756578588 644671335 /nfs/dbraw/zinc/67/13/35/644671335.db2.gz WXZYXXLMUYNJBH-WFASDCNBSA-N 1 0 267.369 2.057 20 10 CECDRO COC[C@](C)(O)C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756579495 644671533 /nfs/dbraw/zinc/67/15/33/644671533.db2.gz ZZNPZBKCOPVONT-SJKOYZFVSA-N 1 0 293.407 2.319 20 10 CECDRO COC1CCN(CC[NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000756641115 644678069 /nfs/dbraw/zinc/67/80/69/644678069.db2.gz GHASVLXQUOCYAY-CQSZACIVSA-N 1 0 292.423 2.462 20 10 CECDRO C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1cc(Cl)ccc1O ZINC000756760221 644690581 /nfs/dbraw/zinc/69/05/81/644690581.db2.gz POJOTZQAJKFVPR-ZIBATOQPSA-N 1 0 298.814 2.415 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H](CO)CC(F)(F)F)cc1C ZINC000756993453 644717144 /nfs/dbraw/zinc/71/71/44/644717144.db2.gz AZIUGLAZXXIFBW-LLVKDONJSA-N 1 0 277.286 2.412 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1O ZINC000839668897 644763837 /nfs/dbraw/zinc/76/38/37/644763837.db2.gz JZVFRRIFDSJDPF-ZYHUDNBSSA-N 1 0 295.354 2.327 20 10 CECDRO CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c(O)c1 ZINC000857060667 644806144 /nfs/dbraw/zinc/80/61/44/644806144.db2.gz DIFABNXPOYCYPV-OCCSQVGLSA-N 1 0 279.380 2.241 20 10 CECDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2O)C1 ZINC000857083977 644812117 /nfs/dbraw/zinc/81/21/17/644812117.db2.gz DYBNFDCOIJNGNG-BXKDBHETSA-N 1 0 282.771 2.317 20 10 CECDRO C[C@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)c2c1c(F)ccc2O ZINC000757630969 644827252 /nfs/dbraw/zinc/82/72/52/644827252.db2.gz AZUVSIXVRSFAPJ-CABZTGNLSA-N 1 0 292.354 2.195 20 10 CECDRO C[C@@H]([NH2+]Cc1cn(C)nn1)c1cc2c(cc1O)CCCC2 ZINC000757658102 644832422 /nfs/dbraw/zinc/83/24/22/644832422.db2.gz UWWBVXHYGAJUFN-LLVKDONJSA-N 1 0 286.379 2.250 20 10 CECDRO CCOc1ccc(O)c(CN2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000857226301 644858366 /nfs/dbraw/zinc/85/83/66/644858366.db2.gz KISNRORGNISBMM-CJNGLKHVSA-N 1 0 276.380 2.104 20 10 CECDRO CSCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858087168 645055752 /nfs/dbraw/zinc/05/57/52/645055752.db2.gz LTKHLQDKIFLVLZ-UHFFFAOYSA-N 1 0 260.353 2.483 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](CO)c2ccnn2C)c(O)c1 ZINC000858435368 645158914 /nfs/dbraw/zinc/15/89/14/645158914.db2.gz GRIYFCXEQNROFE-STQMWFEESA-N 1 0 289.379 2.127 20 10 CECDRO COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2O)C1 ZINC000858471141 645172615 /nfs/dbraw/zinc/17/26/15/645172615.db2.gz BLCSYDFCTUXCDC-ZYHUDNBSSA-N 1 0 291.347 2.313 20 10 CECDRO C[C@@H]([NH2+]CCN(C)CC(F)F)c1ccccc1O ZINC000858597623 645216836 /nfs/dbraw/zinc/21/68/36/645216836.db2.gz SGMANHPNAROBAW-SNVBAGLBSA-N 1 0 258.312 2.240 20 10 CECDRO Cc1cc(O)c(C[NH2+]C2(CCO)CCOCC2)cc1C ZINC000761989952 645347156 /nfs/dbraw/zinc/34/71/56/645347156.db2.gz CFCOWWZTDOKYKL-UHFFFAOYSA-N 1 0 279.380 2.030 20 10 CECDRO C[C@H]([NH2+]CCOC1CCOCC1)c1ccccc1O ZINC000859229051 645429965 /nfs/dbraw/zinc/42/99/65/645429965.db2.gz HTAIECQGQUKAMF-LBPRGKRZSA-N 1 0 265.353 2.238 20 10 CECDRO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccccc1O ZINC000763558444 645557749 /nfs/dbraw/zinc/55/77/49/645557749.db2.gz PNICNWADXJXHPG-SWLSCSKDSA-N 1 0 279.380 2.220 20 10 CECDRO C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000765898625 645820164 /nfs/dbraw/zinc/82/01/64/645820164.db2.gz IPILAPGGFYNFKZ-LSDHHAIUSA-N 1 0 292.423 2.456 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@](C)(O)COC)cc1 ZINC000765934744 645823725 /nfs/dbraw/zinc/82/37/25/645823725.db2.gz CRLDIFBROSLOKD-BBRMVZONSA-N 1 0 280.412 2.191 20 10 CECDRO CC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768440120 646122532 /nfs/dbraw/zinc/12/25/32/646122532.db2.gz SQUNGPIHHUTTGV-XHDPSFHLSA-N 1 0 277.364 2.440 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCc3ccccc3C1)[C@@H](O)CO2 ZINC000768437753 646122896 /nfs/dbraw/zinc/12/28/96/646122896.db2.gz FXOCUWCPZVTGIE-KRWDZBQOSA-N 1 0 297.354 2.376 20 10 CECDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC1CCCC1 ZINC000768439438 646122996 /nfs/dbraw/zinc/12/29/96/646122996.db2.gz HMKJOERLRYLHAO-HNNXBMFYSA-N 1 0 277.364 2.440 20 10 CECDRO C[C@@H]1SCC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1C ZINC000768447249 646124271 /nfs/dbraw/zinc/12/42/71/646124271.db2.gz NSLHLZGKBNIORS-BHDSKKPTSA-N 1 0 295.404 2.144 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CC1)[C@H](O)CO2 ZINC000768452751 646125532 /nfs/dbraw/zinc/12/55/32/646125532.db2.gz SJDYXEHMSAXQGJ-DZGCQCFKSA-N 1 0 275.348 2.192 20 10 CECDRO CC[N@@H+](Cc1cccc(OC)c1O)C[C@H]1CCOC1 ZINC000768522101 646134967 /nfs/dbraw/zinc/13/49/67/646134967.db2.gz YPRMLNZOHCJMIM-GFCCVEGCSA-N 1 0 265.353 2.259 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCCO[C@H](C)C1 ZINC000769318097 646243720 /nfs/dbraw/zinc/24/37/20/646243720.db2.gz INRCQAYWEVZYMC-LLVKDONJSA-N 1 0 251.326 2.012 20 10 CECDRO COc1cccc(O)c1CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000769326844 646246098 /nfs/dbraw/zinc/24/60/98/646246098.db2.gz PUJLPGUWNSUJAW-CYBMUJFWSA-N 1 0 276.380 2.069 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)c(O)c1 ZINC000769709734 646305016 /nfs/dbraw/zinc/30/50/16/646305016.db2.gz JKALBZAACSABLZ-YPMHNXCESA-N 1 0 265.353 2.448 20 10 CECDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(OCC)cc1O ZINC000769937163 646336423 /nfs/dbraw/zinc/33/64/23/646336423.db2.gz NJBJYWJGKHXANV-HSBHDXMMSA-N 1 0 265.353 2.208 20 10 CECDRO OCC[C@H]1CSCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000770308078 646378458 /nfs/dbraw/zinc/37/84/58/646378458.db2.gz YGVKURCDSIGFRE-LBPRGKRZSA-N 1 0 287.812 2.345 20 10 CECDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(O)cccc2Cl)C1 ZINC000770384866 646384848 /nfs/dbraw/zinc/38/48/48/646384848.db2.gz ZNOVOADSEZANCH-LBPRGKRZSA-N 1 0 296.798 2.346 20 10 CECDRO CC[C@@]1(O)CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862334090 646403037 /nfs/dbraw/zinc/40/30/37/646403037.db2.gz YLSYKXCRGBZUNH-OAHLLOKOSA-N 1 0 284.350 2.378 20 10 CECDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)cc1C ZINC000862428176 646456137 /nfs/dbraw/zinc/45/61/37/646456137.db2.gz MNOITPLHNDEEGH-CQSZACIVSA-N 1 0 276.380 2.062 20 10 CECDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccccc2O)n1 ZINC000862433025 646457651 /nfs/dbraw/zinc/45/76/51/646457651.db2.gz SFRPLYXTVJXBFQ-UHFFFAOYSA-N 1 0 273.336 2.221 20 10 CECDRO COc1ccc(N2CCC(N[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000863487896 646741289 /nfs/dbraw/zinc/74/12/89/646741289.db2.gz YABUQIPFBAKEJA-SUMWQHHRSA-N 1 0 289.423 2.004 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(F)cc1O ZINC000863542021 646752114 /nfs/dbraw/zinc/75/21/14/646752114.db2.gz DJUWHNZCQOTFOF-TVYUQYBPSA-N 1 0 252.333 2.322 20 10 CECDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H](O)C2CC2)cc1 ZINC000773757557 646773454 /nfs/dbraw/zinc/77/34/54/646773454.db2.gz ZVWAZFCVGHSFAL-MRXNPFEDSA-N 1 0 262.397 2.345 20 10 CECDRO CCN(C)c1ccc(CN2CC[NH+](C3CC3)CC2)cc1 ZINC000773754303 646773536 /nfs/dbraw/zinc/77/35/36/646773536.db2.gz WFGSZNATKPUHKK-UHFFFAOYSA-N 1 0 273.424 2.423 20 10 CECDRO C[C@@H]1CC[C@H](NC/C=C/c2ccc(N(C)C)cc2)C[NH2+]1 ZINC000863650593 646777380 /nfs/dbraw/zinc/77/73/80/646777380.db2.gz WASOWMFZVSCUTO-SBAHZNLJSA-N 1 0 273.424 2.496 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000773857877 646781471 /nfs/dbraw/zinc/78/14/71/646781471.db2.gz MHYXSOKZQWAUIU-QGZVFWFLSA-N 1 0 290.407 2.134 20 10 CECDRO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000775408617 646951169 /nfs/dbraw/zinc/95/11/69/646951169.db2.gz AGCFGMLXKPLZEL-ZDUSSCGKSA-N 1 0 289.423 2.414 20 10 CECDRO CC[C@H]([NH2+]C[C@@](C)(O)COC)c1cc(Cl)ccc1O ZINC000775504283 646960485 /nfs/dbraw/zinc/96/04/85/646960485.db2.gz XHFFVYLNBHNNHP-GXTWGEPZSA-N 1 0 287.787 2.484 20 10 CECDRO CC[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccccc1O ZINC000775503361 646960894 /nfs/dbraw/zinc/96/08/94/646960894.db2.gz GHPDAMJJNXIOBG-UKRRQHHQSA-N 1 0 279.380 2.486 20 10 CECDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCc1ccc2c(c1)CCCN2C ZINC000864457809 647012320 /nfs/dbraw/zinc/01/23/20/647012320.db2.gz UZCSHDRFYJGLAO-FZMZJTMJSA-N 1 0 272.396 2.091 20 10 CECDRO CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2OC)c(O)c1 ZINC000775979193 647012399 /nfs/dbraw/zinc/01/23/99/647012399.db2.gz RQKSQTJWRXBGJA-BMFZPTHFSA-N 1 0 295.379 2.073 20 10 CECDRO [NH2+]=C(NCCC1CC1)NCc1ccc(N2CC=CC2)cc1 ZINC000864461048 647015994 /nfs/dbraw/zinc/01/59/94/647015994.db2.gz LPMUPIWKIHTEGJ-UHFFFAOYSA-N 1 0 284.407 2.477 20 10 CECDRO CO[C@@H](C[NH2+]Cc1cccc(C)c1O)C(F)(F)F ZINC000776175103 647031733 /nfs/dbraw/zinc/03/17/33/647031733.db2.gz UWQWUQJYFSJGKX-JTQLQIEISA-N 1 0 263.259 2.368 20 10 CECDRO Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000777506784 647142627 /nfs/dbraw/zinc/14/26/27/647142627.db2.gz QCKHZMUNGZMPNU-UHFFFAOYSA-N 1 0 286.379 2.347 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCn3ccnc3C2)cc1C ZINC000778187893 647207056 /nfs/dbraw/zinc/20/70/56/647207056.db2.gz NDWNSUSYDIXPOT-AWEZNQCLSA-N 1 0 271.364 2.305 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000778216500 647211313 /nfs/dbraw/zinc/21/13/13/647211313.db2.gz OSOQNJZAKWYOBM-YPMHNXCESA-N 1 0 265.353 2.042 20 10 CECDRO CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)c(O)c1 ZINC000778214598 647211751 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647424728 /nfs/dbraw/zinc/42/47/28/647424728.db2.gz LNJFEAYISYEESK-COPLHBTASA-N 1 0 265.353 2.446 20 10 CECDRO CN(C)c1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1F ZINC000865691706 647425492 /nfs/dbraw/zinc/42/54/92/647425492.db2.gz DSLLCPIQHMCJHY-CMSWKTDVSA-N 1 0 290.382 2.405 20 10 CECDRO C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](O)C(F)(F)F ZINC000865712470 647435028 /nfs/dbraw/zinc/43/50/28/647435028.db2.gz YHSMYVMMLVPYEX-UFBFGSQYSA-N 1 0 294.292 2.293 20 10 CECDRO COc1cccc(C[NH2+]Cc2nn(C)cc2C(F)F)c1O ZINC000865809615 647473074 /nfs/dbraw/zinc/47/30/74/647473074.db2.gz ZRUDCWCONNICSJ-UHFFFAOYSA-N 1 0 297.305 2.362 20 10 CECDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000780891918 647477735 /nfs/dbraw/zinc/47/77/35/647477735.db2.gz CNROCUNZDTVTPT-UKRRQHHQSA-N 1 0 262.397 2.345 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1 ZINC000866412308 647777761 /nfs/dbraw/zinc/77/77/61/647777761.db2.gz HAXBEYJBTCPYPH-KGLIPLIRSA-N 1 0 292.423 2.196 20 10 CECDRO CCOc1ccc(N(CC2CC2)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000866673077 647863902 /nfs/dbraw/zinc/86/39/02/647863902.db2.gz QNOZDGRZMXJVLV-KRWDZBQOSA-N 1 0 290.407 2.290 20 10 CECDRO CCOc1ccc(C[NH2+]CC[C@@H]2CCOC2)c(O)c1 ZINC000784663823 647872750 /nfs/dbraw/zinc/87/27/50/647872750.db2.gz NCJWRZPULWTRJO-GFCCVEGCSA-N 1 0 265.353 2.307 20 10 CECDRO CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](COC)C2)c(O)c1 ZINC000784666886 647873852 /nfs/dbraw/zinc/87/38/52/647873852.db2.gz CASHMWALOQFWDR-IUODEOHRSA-N 1 0 295.379 2.027 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(C)c2O)[C@@H]1C ZINC000787420886 648107876 /nfs/dbraw/zinc/10/78/76/648107876.db2.gz LZZBEXWNEDRLAL-YPMHNXCESA-N 1 0 263.337 2.084 20 10 CECDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)[C@@H]1C ZINC000787420628 648107955 /nfs/dbraw/zinc/10/79/55/648107955.db2.gz JRIPXIHIUUBXCV-NXEZZACHSA-N 1 0 283.755 2.429 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)[C@@H]1C ZINC000787420631 648108002 /nfs/dbraw/zinc/10/80/02/648108002.db2.gz JRIPXIHIUUBXCV-ZJUUUORDSA-N 1 0 283.755 2.429 20 10 CECDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868622424 648199595 /nfs/dbraw/zinc/19/95/95/648199595.db2.gz IWMVKWVUDRHGKZ-QWHCGFSZSA-N 1 0 293.411 2.481 20 10 CECDRO COC[C@H]([NH2+]Cc1cc(Cl)ccc1O)[C@@H]1CCCO1 ZINC000788535243 648200013 /nfs/dbraw/zinc/20/00/13/648200013.db2.gz LDYMXEWHRVILTE-JSGCOSHPSA-N 1 0 285.771 2.329 20 10 CECDRO Cc1c(C[N@H+](C)Cc2cc(F)ccc2O)cnn1C ZINC000790937841 648463021 /nfs/dbraw/zinc/46/30/21/648463021.db2.gz HFONEFVATWIBBU-UHFFFAOYSA-N 1 0 263.316 2.205 20 10 CECDRO COc1cccc(O)c1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000793215941 648724945 /nfs/dbraw/zinc/72/49/45/648724945.db2.gz YPQWQWZQVATBHI-ZBEGNZNMSA-N 1 0 277.364 2.400 20 10 CECDRO COc1cccc(C[NH2+]Cc2cccnc2F)c1O ZINC000793282390 648736423 /nfs/dbraw/zinc/73/64/23/648736423.db2.gz VMANCDVGRRXBPZ-UHFFFAOYSA-N 1 0 262.284 2.225 20 10 CECDRO COCCC1([NH2+]Cc2cc3c(cc2O)OCO3)CCC1 ZINC000793329221 648744003 /nfs/dbraw/zinc/74/40/03/648744003.db2.gz LIQZWDALFVIAMH-UHFFFAOYSA-N 1 0 279.336 2.170 20 10 CECDRO COCCC1([NH2+]Cc2cc(OC)ccc2O)CCC1 ZINC000793329620 648744070 /nfs/dbraw/zinc/74/40/70/648744070.db2.gz PRZGKSOGZCPJMG-UHFFFAOYSA-N 1 0 265.353 2.450 20 10 CECDRO COc1ccc(C[NH2+]C(C)(C)C(=O)N2CCCC2)cc1C ZINC000793394568 648749756 /nfs/dbraw/zinc/74/97/56/648749756.db2.gz DXOAVDUAWKQBLN-UHFFFAOYSA-N 1 0 290.407 2.494 20 10 CECDRO CO[C@@]1(C[NH2+][C@H](C)c2cc(C)ccc2O)CCOC1 ZINC000123156177 648825740 /nfs/dbraw/zinc/82/57/40/648825740.db2.gz ONORRWYVXNLKIO-IUODEOHRSA-N 1 0 265.353 2.157 20 10 CECDRO CC(=O)NC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000123263016 648877536 /nfs/dbraw/zinc/87/75/36/648877536.db2.gz PCXBDEJCVVRTKW-UHFFFAOYSA-N 1 0 282.771 2.146 20 10 CECDRO CC[C@@H](C(=O)N1Cc2cccc(O)c2C1)[NH+](CC)CC ZINC000871202411 649030332 /nfs/dbraw/zinc/03/03/32/649030332.db2.gz GUOBTLMFZWLXGN-AWEZNQCLSA-N 1 0 276.380 2.355 20 10 CECDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200957 649030778 /nfs/dbraw/zinc/03/07/78/649030778.db2.gz ODUSKRWRVIFZJV-CQSZACIVSA-N 1 0 274.364 2.109 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872256200 649330919 /nfs/dbraw/zinc/33/09/19/649330919.db2.gz QLWXRPOYHBKMOU-ZDUSSCGKSA-N 1 0 287.306 2.257 20 10 CECDRO C[C@H](NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1O ZINC000872311024 649353396 /nfs/dbraw/zinc/35/33/96/649353396.db2.gz WATMVTXXUOVHAY-YUTCNCBUSA-N 1 0 276.380 2.477 20 10 CECDRO CC1(F)CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000872692015 649457587 /nfs/dbraw/zinc/45/75/87/649457587.db2.gz VAQXYZYQGDINHH-ZDUSSCGKSA-N 1 0 281.327 2.142 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3CSC[C@H]3C1)OCO2 ZINC000872723531 649468955 /nfs/dbraw/zinc/46/89/55/649468955.db2.gz ZOWNJQTVXGAXIB-CMPLNLGQSA-N 1 0 293.388 2.306 20 10 CECDRO CCCOc1ccc(C[NH2+]CCN2CCOCC2)cc1C ZINC000873006534 649529852 /nfs/dbraw/zinc/52/98/52/649529852.db2.gz KJTDKCOVTDATNH-UHFFFAOYSA-N 1 0 292.423 2.206 20 10 CECDRO CCCOc1ccc(C[NH2+]C[C@@H]2COCCN2C)cc1C ZINC000873144733 649568895 /nfs/dbraw/zinc/56/88/95/649568895.db2.gz XIXNTZJMFITXBE-MRXNPFEDSA-N 1 0 292.423 2.204 20 10 CECDRO CCCOc1ccc(C[NH2+][C@@H](C)C(=O)N(C)OC)cc1C ZINC000873145202 649569228 /nfs/dbraw/zinc/56/92/28/649569228.db2.gz IYJUVCLLPZJBJI-ZDUSSCGKSA-N 1 0 294.395 2.282 20 10 CECDRO O=C1OCC[C@H]1CCC[NH2+]Cc1c(O)cccc1Cl ZINC000873160448 649575109 /nfs/dbraw/zinc/57/51/09/649575109.db2.gz CDUGNDRQQKLKQP-SNVBAGLBSA-N 1 0 283.755 2.479 20 10 CECDRO COc1ccc(CN[C@@]23CCC[C@H]2[NH2+]CC3)cc1C ZINC000873230230 649601643 /nfs/dbraw/zinc/60/16/43/649601643.db2.gz NSKWETAAYFZRQB-HZPDHXFCSA-N 1 0 260.381 2.378 20 10 CECDRO COc1cc(Cl)cc(CN[C@]23CCC[C@@H]2[NH2+]CC3)c1O ZINC000873230756 649602796 /nfs/dbraw/zinc/60/27/96/649602796.db2.gz XRMAKNAPTKPZFV-ZFWWWQNUSA-N 1 0 296.798 2.428 20 10 CECDRO C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124812309 649746722 /nfs/dbraw/zinc/74/67/22/649746722.db2.gz HDAAJOFFMWLHLE-LLVKDONJSA-N 1 0 268.788 2.477 20 10 CECDRO C[C@@H]([NH2+]CCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000879649318 651335194 /nfs/dbraw/zinc/33/51/94/651335194.db2.gz NCICXCDKOFQFGR-MELADBBJSA-N 1 0 278.396 2.152 20 10 CECDRO C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O)c1ccccc1O ZINC000879648828 651335445 /nfs/dbraw/zinc/33/54/45/651335445.db2.gz BIDHWXKDJJIONL-PAPYEOQZSA-N 1 0 288.391 2.490 20 10 CECDRO C[C@H]([NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccccc1O ZINC000879650408 651335607 /nfs/dbraw/zinc/33/56/07/651335607.db2.gz ZYAHQMPHQMNQQS-KBPBESRZSA-N 1 0 293.407 2.489 20 10 CECDRO COc1coc(C[NH2+][C@@H](C)c2ccccc2O)cc1=O ZINC000879651328 651335616 /nfs/dbraw/zinc/33/56/16/651335616.db2.gz RHBHPBQVFZTWCP-JTQLQIEISA-N 1 0 275.304 2.205 20 10 CECDRO C[C@@H]([NH2+]C[C@H](O)CC1(O)CCCC1)c1ccccc1O ZINC000879650353 651335704 /nfs/dbraw/zinc/33/57/04/651335704.db2.gz WOKPIVNGZWZQCT-CHWSQXEVSA-N 1 0 279.380 2.099 20 10 CECDRO C[C@@H]([NH2+]CCC(=O)NC1CCCC1)c1ccccc1O ZINC000879650057 651335767 /nfs/dbraw/zinc/33/57/67/651335767.db2.gz ZHFQKXCSKQITMN-GFCCVEGCSA-N 1 0 276.380 2.492 20 10 CECDRO C[C@H]([NH2+]C[C@H](O)CC1(CO)CCCC1)c1ccccc1O ZINC000879650218 651335826 /nfs/dbraw/zinc/33/58/26/651335826.db2.gz PZKBAANYHMVHOY-UONOGXRCSA-N 1 0 293.407 2.347 20 10 CECDRO C[NH2+][C@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000128321330 651417077 /nfs/dbraw/zinc/41/70/77/651417077.db2.gz IYWLRWRXAJPHRV-JTQLQIEISA-N 1 0 254.761 2.229 20 10 CECDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CCOCC3)cc2)C1 ZINC000883264561 652417911 /nfs/dbraw/zinc/41/79/11/652417911.db2.gz FAZTUCAPJIOFQK-JCNLHEQBSA-N 1 0 290.407 2.038 20 10 CECDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCC[C@]13CCCO3)OCO2 ZINC000883370513 652446932 /nfs/dbraw/zinc/44/69/32/652446932.db2.gz NGENSVMIVJKVSO-CVEARBPZSA-N 1 0 291.347 2.312 20 10 CECDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000132101415 652495340 /nfs/dbraw/zinc/49/53/40/652495340.db2.gz QHRPATLVMCVIOE-ZFWWWQNUSA-N 1 0 260.381 2.269 20 10 CECDRO O=C(/C=C/c1ccc(O)c(O)c1)OCCC[NH+]1CCCC1 ZINC000800186653 652678963 /nfs/dbraw/zinc/67/89/63/652678963.db2.gz GKYGLNXBVZWBMM-FNORWQNLSA-N 1 0 291.347 2.140 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884113678 652713300 /nfs/dbraw/zinc/71/33/00/652713300.db2.gz XLXIBJMMMSXEMS-AWEZNQCLSA-N 1 0 290.407 2.376 20 10 CECDRO C[C@@]1([NH3+])CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204772669 805811592 /nfs/dbraw/zinc/81/15/92/805811592.db2.gz XRFOFTBPQLCPEH-MRXNPFEDSA-N 1 0 259.397 2.210 20 10 CECDRO [O-]c1c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc(F)c1F ZINC000703349672 809643416 /nfs/dbraw/zinc/64/34/16/809643416.db2.gz ZDNOIEFEEYKRGM-NEPJUHHUSA-N 1 0 282.334 2.387 20 10 CECDRO Oc1cc(Br)ccc1C[NH2+]C1CSC1 ZINC000706453445 802728475 /nfs/dbraw/zinc/72/84/75/802728475.db2.gz YXPDNFRWQFDHJQ-UHFFFAOYSA-N 1 0 274.183 2.360 20 10 CECDRO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@]2(C)CO)c1O ZINC000723023308 802786243 /nfs/dbraw/zinc/78/62/43/802786243.db2.gz RMPAYJBJSRMIBV-OAHLLOKOSA-N 1 0 281.327 2.081 20 10 CECDRO C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccccc1O ZINC000690724258 802880537 /nfs/dbraw/zinc/88/05/37/802880537.db2.gz DQSFWHOYFDLCGS-SKDRFNHKSA-N 1 0 257.280 2.467 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H]2CC(=O)N(C)C2)c1 ZINC000723546092 802884314 /nfs/dbraw/zinc/88/43/14/802884314.db2.gz MUIZNEKOEHCHOE-QWHCGFSZSA-N 1 0 276.380 2.220 20 10 CECDRO CC(=O)N1CCC2(C[NH+](Cc3ccc(Cl)cc3O)C2)C1 ZINC001140465096 802947474 /nfs/dbraw/zinc/94/74/74/802947474.db2.gz IALMDDCDIURDJI-UHFFFAOYSA-N 1 0 294.782 2.100 20 10 CECDRO Cc1cn(C)nc1CN1CCCc2cc(C[NH3+])ccc21 ZINC000723976802 802981714 /nfs/dbraw/zinc/98/17/14/802981714.db2.gz QCNVHMLFEDKFEF-UHFFFAOYSA-N 1 0 270.380 2.140 20 10 CECDRO COc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(O)c1 ZINC000724814322 803489654 /nfs/dbraw/zinc/48/96/54/803489654.db2.gz NAKPKNHEBWDAEK-SWLSCSKDSA-N 1 0 263.337 2.012 20 10 CECDRO COc1ccc2c(c1)CCCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000695722528 803756119 /nfs/dbraw/zinc/75/61/19/803756119.db2.gz VHSMCXOKQKOKME-ZDUSSCGKSA-N 1 0 272.348 2.022 20 10 CECDRO COc1ccc(O)c(C[NH2+]CCCOC(F)F)c1 ZINC000398121476 803850635 /nfs/dbraw/zinc/85/06/35/803850635.db2.gz IPYZMCYKUHBNLF-UHFFFAOYSA-N 1 0 261.268 2.120 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCCC23OCCO3)cc1C ZINC000715600456 814977254 /nfs/dbraw/zinc/97/72/54/814977254.db2.gz XSOVCCKDUVVFLB-OAHLLOKOSA-N 1 0 277.364 2.389 20 10 CECDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2O)C1 ZINC000092456368 804038431 /nfs/dbraw/zinc/03/84/31/804038431.db2.gz ABSFSCYXNODILF-CYBMUJFWSA-N 1 0 293.363 2.176 20 10 CECDRO CC[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccccc1O ZINC000037152343 815018229 /nfs/dbraw/zinc/01/82/29/815018229.db2.gz HYIZDNUBKFDPQW-YIZWMMSDSA-N 1 0 276.380 2.477 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCCc2ncn(C)n2)cc1Cl ZINC001118577132 815026831 /nfs/dbraw/zinc/02/68/31/815026831.db2.gz JVAPCYZJLMPVOM-UHFFFAOYSA-N 1 0 294.786 2.205 20 10 CECDRO CCN(CC)c1ccc(C[NH2+]CC2OCCCO2)cc1 ZINC000716351380 815118073 /nfs/dbraw/zinc/11/80/73/815118073.db2.gz QQFDHOJURSQRLK-UHFFFAOYSA-N 1 0 278.396 2.385 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](O)C(F)F)c1 ZINC000716697635 815143415 /nfs/dbraw/zinc/14/34/15/815143415.db2.gz GSODKLXGZVHGPX-PELKAZGASA-N 1 0 275.295 2.068 20 10 CECDRO CC[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccccc1O ZINC000716775027 815146630 /nfs/dbraw/zinc/14/66/30/815146630.db2.gz PSNRITTVXIRHTF-CMPLNLGQSA-N 1 0 259.296 2.449 20 10 CECDRO Cc1cccc(O)c1CN1CCCC[C@@]12CC[NH2+]C2 ZINC001235130328 807779489 /nfs/dbraw/zinc/77/94/89/807779489.db2.gz STMGFYUTYZSAQP-INIZCTEOSA-N 1 0 260.381 2.419 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CC)C[C@H](C)O)c1O ZINC000716798676 815147793 /nfs/dbraw/zinc/14/77/93/815147793.db2.gz JJEIUTLLOLYURA-AAEUAGOBSA-N 1 0 267.369 2.430 20 10 CECDRO CCc1ccc(C[N@H+](C)C2CCN(C)CC2)c(O)c1 ZINC001236784689 808165786 /nfs/dbraw/zinc/16/57/86/808165786.db2.gz YKCHQNHPSBVUKE-UHFFFAOYSA-N 1 0 262.397 2.481 20 10 CECDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(N)cc1)CC2 ZINC001120370803 815217726 /nfs/dbraw/zinc/21/77/26/815217726.db2.gz FTOLZAXHNBPLGE-HZPDHXFCSA-N 1 0 290.407 2.021 20 10 CECDRO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186223617 808696962 /nfs/dbraw/zinc/69/69/62/808696962.db2.gz JUCZDWFYCRSGJI-NSHDSACASA-N 1 0 264.369 2.123 20 10 CECDRO Cc1c(C[NH2+]Cc2ccc3c(c2)CCCO3)cnn1C ZINC000921933858 808989328 /nfs/dbraw/zinc/98/93/28/808989328.db2.gz AOZGLFMMNMVAHW-UHFFFAOYSA-N 1 0 271.364 2.343 20 10 CECDRO Cc1ccc(C)c(C[N@H+]2CCC[C@@]23CCN(C)C3=O)c1O ZINC001273049018 809182048 /nfs/dbraw/zinc/18/20/48/809182048.db2.gz ICSKVFFUTOKGIM-KRWDZBQOSA-N 1 0 288.391 2.206 20 10 CECDRO COC[C@@H](C)[NH2+]Cc1ccc(Br)cc1O ZINC000701016171 809379461 /nfs/dbraw/zinc/37/94/61/809379461.db2.gz VCFMRJQJDZXFIE-MRVPVSSYSA-N 1 0 274.158 2.279 20 10 CECDRO CC[N@H+](CCC[NH+](C)C)Cc1ccc(F)c(F)c1[O-] ZINC000703563483 809668935 /nfs/dbraw/zinc/66/89/35/809668935.db2.gz NIOGQEUJWZJSMW-UHFFFAOYSA-N 1 0 272.339 2.444 20 10 CECDRO C[C@H](O)CC[NH2+]Cc1c(O)cccc1Br ZINC000706828531 809855487 /nfs/dbraw/zinc/85/54/87/809855487.db2.gz GQMNVDBWHWKGBA-QMMMGPOBSA-N 1 0 274.158 2.015 20 10 CECDRO COC[C@H](CC[NH2+][C@@H](C)c1cc(F)ccc1O)OC ZINC000710667686 810002871 /nfs/dbraw/zinc/00/28/71/810002871.db2.gz IGGUZHYUNHPWFQ-JQWIXIFHSA-N 1 0 271.332 2.233 20 10 CECDRO COC(C)(C)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000711903086 810103377 /nfs/dbraw/zinc/10/33/77/810103377.db2.gz GVXFWRSFESOGJE-UHFFFAOYSA-N 1 0 267.325 2.026 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381332409 810328609 /nfs/dbraw/zinc/32/86/09/810328609.db2.gz BTZNKBSPVGNBTI-MFKMUULPSA-N 1 0 266.772 2.229 20 10 CECDRO CC[C@H](C)C[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1C ZINC001122003724 815376257 /nfs/dbraw/zinc/37/62/57/815376257.db2.gz GBTDTSCCOGKYKE-LRDDRELGSA-N 1 0 291.439 2.441 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+]CCc1nnc3ccccn31)CC2 ZINC000390126105 810744041 /nfs/dbraw/zinc/74/40/41/810744041.db2.gz GHRAQHYKIQDONU-CYBMUJFWSA-N 1 0 294.358 2.255 20 10 CECDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC001122536360 815422918 /nfs/dbraw/zinc/42/29/18/815422918.db2.gz ZPKJSZCWGCFJFE-OAHLLOKOSA-N 1 0 275.396 2.150 20 10 CECDRO CC(C)COCC[C@@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001172465750 815448887 /nfs/dbraw/zinc/44/88/87/815448887.db2.gz XQQQNJBLWBWEAN-GFCCVEGCSA-N 1 0 295.379 2.321 20 10 CECDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2O)CO1 ZINC001169335225 811489290 /nfs/dbraw/zinc/48/92/90/811489290.db2.gz QSHUHPGLZRGEAM-XUJVJEKNSA-N 1 0 293.363 2.154 20 10 CECDRO C[C@@H](CCCO)[NH2+]Cc1ccc(Br)cc1O ZINC000691453598 811858801 /nfs/dbraw/zinc/85/88/01/811858801.db2.gz IUGMLSWREJQOEJ-VIFPVBQESA-N 1 0 288.185 2.405 20 10 CECDRO CCc1cccc(C[NH2+]CCc2cnccn2)c1O ZINC000691456126 811861564 /nfs/dbraw/zinc/86/15/64/811861564.db2.gz VEQSMXZTERPSPB-UHFFFAOYSA-N 1 0 257.337 2.077 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1O ZINC000691461646 811863700 /nfs/dbraw/zinc/86/37/00/811863700.db2.gz JVALWFIJOUZTDA-TZMCWYRMSA-N 1 0 263.337 2.058 20 10 CECDRO CCc1cccc(C[NH2+]C[C@@](C)(O)C(C)C)c1O ZINC000691494839 811960397 /nfs/dbraw/zinc/96/03/97/811960397.db2.gz PDZPJYLJPMDEDA-OAHLLOKOSA-N 1 0 251.370 2.451 20 10 CECDRO CC(C)C[NH+]1CCC(C(=O)NCc2ccccc2O)CC1 ZINC001137471528 813064759 /nfs/dbraw/zinc/06/47/59/813064759.db2.gz PFQNNUNBUZUKIW-UHFFFAOYSA-N 1 0 290.407 2.376 20 10 CECDRO CC1(C)[C@@H]2C[C@H]([NH2+]CC(=O)c3ccc(O)c(O)c3)C[C@@H]21 ZINC001170726295 813205770 /nfs/dbraw/zinc/20/57/70/813205770.db2.gz DCUQYCXKGADLAN-ZSBIGDGJSA-N 1 0 275.348 2.305 20 10 CECDRO CO[C@H]([C@@H](C)[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000388278597 813235629 /nfs/dbraw/zinc/23/56/29/813235629.db2.gz KNCIOTGZYAIBOL-YMTOWFKASA-N 1 0 253.317 2.434 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CCc2cnccn2)c(O)c1 ZINC000390105347 813259726 /nfs/dbraw/zinc/25/97/26/813259726.db2.gz ITQQEMZHCSOBIV-GFCCVEGCSA-N 1 0 257.337 2.384 20 10 CECDRO CSC[C@@](C)(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000217866438 813435789 /nfs/dbraw/zinc/43/57/89/813435789.db2.gz CPEQPRFNWGTKQK-LBPRGKRZSA-N 1 0 275.801 2.249 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CCNC(=O)CC2)cc1 ZINC000396704322 813581292 /nfs/dbraw/zinc/58/12/92/813581292.db2.gz KBFDDQXHCRLDCT-HNNXBMFYSA-N 1 0 289.423 2.291 20 10 CECDRO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397654329 813631652 /nfs/dbraw/zinc/63/16/52/813631652.db2.gz GFUBLHIZVBSCSA-MUJYYYPQSA-N 1 0 272.392 2.411 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]CC1=CCOCC1 ZINC000397858434 813642205 /nfs/dbraw/zinc/64/22/05/813642205.db2.gz WEYCPDQKLHZJSL-UHFFFAOYSA-N 1 0 253.729 2.482 20 10 CECDRO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000398013611 813651725 /nfs/dbraw/zinc/65/17/25/813651725.db2.gz ZUCUDBKOCSZQFV-CYBMUJFWSA-N 1 0 261.413 2.497 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCCOC[C@H]2C)c1O ZINC000398910760 813688158 /nfs/dbraw/zinc/68/81/58/813688158.db2.gz HSRTXDQFDOKQKH-GFCCVEGCSA-N 1 0 265.353 2.402 20 10 CECDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](F)CC2)c(O)c1 ZINC001144499423 814089292 /nfs/dbraw/zinc/08/92/92/814089292.db2.gz GIQMFALTVLLOOK-VIFPVBQESA-N 1 0 255.289 2.127 20 10 CECDRO CN1CCC([N@H+](C)Cc2cc(F)ccc2O)CC1 ZINC000234326357 814414173 /nfs/dbraw/zinc/41/41/73/814414173.db2.gz RJHUYQYHLKWJSN-UHFFFAOYSA-N 1 0 252.333 2.057 20 10 CECDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000712541342 814764357 /nfs/dbraw/zinc/76/43/57/814764357.db2.gz DPKFGAYMTDJWEP-PWSUYJOCSA-N 1 0 252.333 2.276 20 10 CECDRO Oc1ccc(CC[NH2+][C@@H]2CCc3ncsc3C2)cc1O ZINC001173123231 815588230 /nfs/dbraw/zinc/58/82/30/815588230.db2.gz BCHHAFVZNLJENL-LLVKDONJSA-N 1 0 290.388 2.244 20 10 CECDRO [NH3+][C@H]1CCN(Cc2c(O)ccc(F)c2Cl)CC[C@@H]1F ZINC001206197248 815639429 /nfs/dbraw/zinc/63/94/29/815639429.db2.gz HAXGCVLAWVXRIA-ONGXEEELSA-N 1 0 290.741 2.446 20 10 CECDRO CCSC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001173288916 815671557 /nfs/dbraw/zinc/67/15/57/815671557.db2.gz QTODYTZVAOODSK-VIFPVBQESA-N 1 0 271.382 2.077 20 10 CECDRO Oc1cccc(F)c1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001137837652 815693140 /nfs/dbraw/zinc/69/31/40/815693140.db2.gz PUOMZYIPPVUCAS-LBPRGKRZSA-N 1 0 264.344 2.201 20 10 CECDRO CC[NH+](CC)C[C@@H]1CN(Cc2cccc(F)c2O)CCO1 ZINC001138130931 815736540 /nfs/dbraw/zinc/73/65/40/815736540.db2.gz LSUMBDGVODZHKR-CQSZACIVSA-N 1 0 296.386 2.074 20 10 CECDRO Cc1c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c2ccccc2n1C ZINC001138252911 815754740 /nfs/dbraw/zinc/75/47/40/815754740.db2.gz XMFOAPVGMGYOJZ-ZBEGNZNMSA-N 1 0 258.365 2.299 20 10 CECDRO CC[N@@H+]1CCN(Cc2cc(F)ccc2O)C(C)(C)C1 ZINC001140055963 816179752 /nfs/dbraw/zinc/17/97/52/816179752.db2.gz BROZSWQWLPMFIS-UHFFFAOYSA-N 1 0 266.360 2.447 20 10 CECDRO C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1ccccc1O ZINC001175419264 816195544 /nfs/dbraw/zinc/19/55/44/816195544.db2.gz USTHUCAVEJBCJL-SECBINFHSA-N 1 0 277.349 2.138 20 10 CECDRO COC(=O)[C@H]1CCC[N@H+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178831 816203939 /nfs/dbraw/zinc/20/39/39/816203939.db2.gz ZESGVOLCAYREPQ-ZDUSSCGKSA-N 1 0 277.364 2.394 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCN3CCC2CC3)c1O ZINC001140184022 816206380 /nfs/dbraw/zinc/20/63/80/816206380.db2.gz KEMAFDLNJVWWAJ-UHFFFAOYSA-N 1 0 260.381 2.289 20 10 CECDRO Cc1ccc(C)c(CN2CCn3nccc3C2)c1O ZINC001140185494 816207035 /nfs/dbraw/zinc/20/70/35/816207035.db2.gz XIGFAHJHPLIIIB-UHFFFAOYSA-N 1 0 257.337 2.221 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)c1O ZINC001140185415 816207372 /nfs/dbraw/zinc/20/73/72/816207372.db2.gz UYUVIAMNVJIJNO-CQSZACIVSA-N 1 0 288.391 2.206 20 10 CECDRO Cc1ccc(C)c(C[N@@H+]2CC(=O)NC3(CCCC3)C2)c1O ZINC001140184973 816207425 /nfs/dbraw/zinc/20/74/25/816207425.db2.gz MRNVBGBOINIKHG-UHFFFAOYSA-N 1 0 288.391 2.254 20 10 CECDRO OC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140461045 816258650 /nfs/dbraw/zinc/25/86/50/816258650.db2.gz CIALUHRQQUCHOK-SNVBAGLBSA-N 1 0 255.745 2.250 20 10 CECDRO Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001140464574 816259980 /nfs/dbraw/zinc/25/99/80/816259980.db2.gz VVUFQAWBKWEDGC-ZDUSSCGKSA-N 1 0 292.770 2.474 20 10 CECDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(Cl)cc2O)C1 ZINC001140464626 816260223 /nfs/dbraw/zinc/26/02/23/816260223.db2.gz XYEVQGZWVZKKGD-AWEZNQCLSA-N 1 0 296.798 2.488 20 10 CECDRO [O-]c1cc(F)cc(F)c1C[N@H+]1CCCC[C@@H]1CO ZINC001140579937 816289449 /nfs/dbraw/zinc/28/94/49/816289449.db2.gz NCKYOYLNUIINSK-SNVBAGLBSA-N 1 0 257.280 2.017 20 10 CECDRO COc1ncnc2c1CC[N@H+](Cc1cc(C)ccc1O)CC2 ZINC001140620708 816305789 /nfs/dbraw/zinc/30/57/89/816305789.db2.gz YPORPWSQLNPDNL-UHFFFAOYSA-N 1 0 299.374 2.100 20 10 CECDRO Cc1ccc(O)c(C[NH+]2CCN(C(=O)C3CCC3)CC2)c1 ZINC001140623536 816306857 /nfs/dbraw/zinc/30/68/57/816306857.db2.gz UBFOOUSUBQHRPC-UHFFFAOYSA-N 1 0 288.391 2.145 20 10 CECDRO CC[N@H+](Cc1ccc(CO)o1)Cc1ccccc1O ZINC001140683172 816319188 /nfs/dbraw/zinc/31/91/88/816319188.db2.gz TXZVCPWKEKXYRJ-UHFFFAOYSA-N 1 0 261.321 2.500 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c1O ZINC001140744476 816339577 /nfs/dbraw/zinc/33/95/77/816339577.db2.gz YNZLMOYFXSASGD-ZBEGNZNMSA-N 1 0 279.380 2.389 20 10 CECDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)c1O ZINC001140743954 816339665 /nfs/dbraw/zinc/33/96/65/816339665.db2.gz 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CC[C@]1(C)CN(Cc2cc3c(cc2O)OCO3)CCO1 ZINC000190330288 369614517 /nfs/dbraw/zinc/61/45/17/369614517.db2.gz AFUXYMHLDNGSSE-OAHLLOKOSA-N 1 0 279.336 2.122 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCCCN3C[C@@H]2C)c1 ZINC000217909409 370202679 /nfs/dbraw/zinc/20/26/79/370202679.db2.gz OFIFKXZWESHERD-ZFWWWQNUSA-N 1 0 290.407 2.459 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCCO)c1 ZINC000223738823 370270121 /nfs/dbraw/zinc/27/01/21/370270121.db2.gz KVUQWDAJAAKXGS-LLVKDONJSA-N 1 0 253.342 2.214 20 10 CECDRO Cc1cccc2c1N(C1CC1)CCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638318356 370443194 /nfs/dbraw/zinc/44/31/94/370443194.db2.gz VDIHGJBPBWRUOM-AWEZNQCLSA-N 1 0 297.402 2.358 20 10 CECDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000236549284 370592018 /nfs/dbraw/zinc/59/20/18/370592018.db2.gz DYGGNQYNPIVWDG-VHSXEESVSA-N 1 0 255.745 2.296 20 10 CECDRO CCCOc1ccc(C[N@H+](CCC)CCO)c(O)c1 ZINC000161223132 261241500 /nfs/dbraw/zinc/24/15/00/261241500.db2.gz KRHIEYREANMFIO-UHFFFAOYSA-N 1 0 267.369 2.385 20 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UDFIUZFAPCPMAT-HNNXBMFYSA-N 1 0 263.337 2.156 20 10 CECDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000367309721 373147606 /nfs/dbraw/zinc/14/76/06/373147606.db2.gz YJFCXCDQKUBHQG-AWEZNQCLSA-N 1 0 276.380 2.398 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1O ZINC000271380868 373188697 /nfs/dbraw/zinc/18/86/97/373188697.db2.gz DJKHFBDQHBCCFZ-CYBMUJFWSA-N 1 0 293.363 2.176 20 10 CECDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2O)OCO3)CCO1 ZINC000271464229 373193506 /nfs/dbraw/zinc/19/35/06/373193506.db2.gz GNCIECKXRJVTSX-OCCSQVGLSA-N 1 0 293.363 2.414 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000271780385 373201191 /nfs/dbraw/zinc/20/11/91/373201191.db2.gz HQNCEQJOCRLJAK-KRWDZBQOSA-N 1 0 299.370 2.493 20 10 CECDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)c2ccc(C)o2)c1 ZINC000271798461 373201796 /nfs/dbraw/zinc/20/17/96/373201796.db2.gz IJUXMQDYVFKPQH-CQSZACIVSA-N 1 0 277.320 2.125 20 10 CECDRO CC(=O)N1CCN(Cc2cc(Cl)cc(C)c2O)[C@@H](C)C1 ZINC000271817209 373204953 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ZINC000285660351 375842291 /nfs/dbraw/zinc/84/22/91/375842291.db2.gz ZASKZDIIARUXJL-UHFFFAOYSA-N 1 0 265.353 2.380 20 10 CECDRO CC[C@H]([NH2+]CC(C)(C)OCCO)c1ccccc1O ZINC000287520123 376250510 /nfs/dbraw/zinc/25/05/10/376250510.db2.gz ZOYPTLLSENGVSP-ZDUSSCGKSA-N 1 0 267.369 2.220 20 10 CECDRO CCC(CC)(C[NH2+]Cc1cc2c(cc1O)OCO2)OC ZINC000291753916 377209176 /nfs/dbraw/zinc/20/91/76/377209176.db2.gz QNGZOUCMAPHRDA-UHFFFAOYSA-N 1 0 281.352 2.416 20 10 CECDRO Cc1ncsc1CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000295047394 378036589 /nfs/dbraw/zinc/03/65/89/378036589.db2.gz PDVGWSIGNBMZHI-UHFFFAOYSA-N 1 0 292.360 2.218 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@H](OC(=O)N(C)C)C2)cc1C ZINC000295183598 378046067 /nfs/dbraw/zinc/04/60/67/378046067.db2.gz WEZOVKKNGUCWAN-AWEZNQCLSA-N 1 0 292.379 2.282 20 10 CECDRO CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000295181775 378046398 /nfs/dbraw/zinc/04/63/98/378046398.db2.gz VVLRQUAMYFEKKC-OAHLLOKOSA-N 1 0 291.395 2.025 20 10 CECDRO CC[C@H](CO)[N@H+](C)Cc1cc(Br)ccc1O ZINC000295210026 378052952 /nfs/dbraw/zinc/05/29/52/378052952.db2.gz ZYWMEYNDBIOWRI-LLVKDONJSA-N 1 0 288.185 2.357 20 10 CECDRO CCCC[N@H+](CC(N)=O)Cc1cc(Cl)c(F)cc1[O-] ZINC000295246512 378068560 /nfs/dbraw/zinc/06/85/60/378068560.db2.gz FMZBEGHOOWXAGB-UHFFFAOYSA-N 1 0 288.750 2.272 20 10 CECDRO COC1CCN(c2ccc(C[N@H+](C)CCCO)cc2)CC1 ZINC000295387344 378133206 /nfs/dbraw/zinc/13/32/06/378133206.db2.gz QQLSTIOKZBIIJZ-UHFFFAOYSA-N 1 0 292.423 2.116 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCOC2)c1 ZINC000109543445 394733901 /nfs/dbraw/zinc/73/39/01/394733901.db2.gz SHKJFJVIAQSZNN-QWRGUYRKSA-N 1 0 251.326 2.230 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H]2CCCOC2)c1O ZINC000109543547 394734270 /nfs/dbraw/zinc/73/42/70/394734270.db2.gz CJQDNBDXFJUZHX-GFCCVEGCSA-N 1 0 251.326 2.060 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCCOC2)c1O ZINC000109543550 394734380 /nfs/dbraw/zinc/73/43/80/394734380.db2.gz CJQDNBDXFJUZHX-LBPRGKRZSA-N 1 0 251.326 2.060 20 10 CECDRO COCCn1cc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cn1 ZINC000281945975 394883115 /nfs/dbraw/zinc/88/31/15/394883115.db2.gz BTCSVEQMPNECPX-ZDUSSCGKSA-N 1 0 289.379 2.394 20 10 CECDRO CC[C@H]1CO[C@@H](C)CN1Cc1cc2c(cc1O)OCO2 ZINC000131514258 394912880 /nfs/dbraw/zinc/91/28/80/394912880.db2.gz SKQACKSKQZDFOL-JQWIXIFHSA-N 1 0 279.336 2.120 20 10 CECDRO COc1cccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)c1O ZINC000132192297 394926122 /nfs/dbraw/zinc/92/61/22/394926122.db2.gz UHXZMTLMWQZGOA-GHMZBOCLSA-N 1 0 251.326 2.010 20 10 CECDRO COc1cccc(C[N@H+](C)C[C@H]2CCCCO2)c1O ZINC000132605686 394933884 /nfs/dbraw/zinc/93/38/84/394933884.db2.gz QLURWXKZCXQAMH-CYBMUJFWSA-N 1 0 265.353 2.402 20 10 CECDRO CC(C)NC(=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000135103658 394963518 /nfs/dbraw/zinc/96/35/18/394963518.db2.gz AAHIOQYFTXSDHY-CYBMUJFWSA-N 1 0 277.412 2.318 20 10 CECDRO CSC[C@@H](O)C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372922651 395049264 /nfs/dbraw/zinc/04/92/64/395049264.db2.gz JCCLMZVOXZUCNA-INIZCTEOSA-N 1 0 292.448 2.176 20 10 CECDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cc(F)ccc1O)C2 ZINC000373121953 395055414 /nfs/dbraw/zinc/05/54/14/395055414.db2.gz DHFZKASJRQEMFL-AWEZNQCLSA-N 1 0 287.338 2.277 20 10 CECDRO CCOc1cccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1O ZINC000373321606 395058713 /nfs/dbraw/zinc/05/87/13/395058713.db2.gz GLKZITBUBQLQKD-INIZCTEOSA-N 1 0 277.364 2.138 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1C ZINC000373318600 395058920 /nfs/dbraw/zinc/05/89/20/395058920.db2.gz MBVZYXGQJTYSKM-INIZCTEOSA-N 1 0 261.365 2.356 20 10 CECDRO C[C@@H](CCn1cccn1)[NH2+]Cc1ccc2c(c1)CCN2C ZINC000372419988 395041783 /nfs/dbraw/zinc/04/17/83/395041783.db2.gz FMYWJXOHKWARNM-AWEZNQCLSA-N 1 0 284.407 2.444 20 10 CECDRO C[C@@H]1C[C@H](NCc2ccc(N(C)C)c(F)c2)CC[N@@H+]1C ZINC000174514713 395125213 /nfs/dbraw/zinc/12/52/13/395125213.db2.gz WBWVGKFYQJODSP-TZMCWYRMSA-N 1 0 279.403 2.464 20 10 CECDRO C[C@H]([NH2+]CCCN1CCOC1=O)c1ccc(N(C)C)cc1 ZINC000178586823 395170246 /nfs/dbraw/zinc/17/02/46/395170246.db2.gz SKVMSVDLCBFUAN-ZDUSSCGKSA-N 1 0 291.395 2.246 20 10 CECDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293490057 395236446 /nfs/dbraw/zinc/23/64/46/395236446.db2.gz ANGJQGKKWDAVBM-RKDXNWHRSA-N 1 0 273.735 2.387 20 10 CECDRO Cc1noc(C2CC[NH+](Cc3ccccc3O)CC2)n1 ZINC000179562743 395195096 /nfs/dbraw/zinc/19/50/96/395195096.db2.gz KEDOLKLVNYPETB-UHFFFAOYSA-N 1 0 273.336 2.463 20 10 CECDRO CCOC(=O)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000183463710 395257506 /nfs/dbraw/zinc/25/75/06/395257506.db2.gz DLHGDFSRZXNQPC-UHFFFAOYSA-N 1 0 293.363 2.176 20 10 CECDRO COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1O ZINC000020206672 171071193 /nfs/dbraw/zinc/07/11/93/171071193.db2.gz BNZNDJYMDCJRCN-JQWIXIFHSA-N 1 0 251.326 2.058 20 10 CECDRO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1O ZINC000035601310 172290272 /nfs/dbraw/zinc/29/02/72/172290272.db2.gz CKEKXRPSXALJQJ-CQSZACIVSA-N 1 0 273.332 2.224 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCOCC2)c1 ZINC000035628869 172308240 /nfs/dbraw/zinc/30/82/40/172308240.db2.gz IDLOKMCWBDKNIF-CQSZACIVSA-N 1 0 278.396 2.074 20 10 CECDRO c1cc(C[NH2+]C2CCN(C3CC3)CC2)cc2c1OCC2 ZINC000037363538 260094621 /nfs/dbraw/zinc/09/46/21/260094621.db2.gz CDVDQJKLSZWVMH-UHFFFAOYSA-N 1 0 272.392 2.338 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2cc(C(N)=O)cs2)cc1 ZINC000093685452 260300742 /nfs/dbraw/zinc/30/07/42/260300742.db2.gz LETBFGXLKUILNF-UHFFFAOYSA-N 1 0 289.404 2.203 20 10 CECDRO COc1cc(Cl)cc(C[NH+]2CCC(C)(O)CC2)c1O ZINC000184695024 262026124 /nfs/dbraw/zinc/02/61/24/262026124.db2.gz SOHFUSOREJJSIR-UHFFFAOYSA-N 1 0 285.771 2.401 20 10 CECDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)cc1O)CC2 ZINC000185317991 262051116 /nfs/dbraw/zinc/05/11/16/262051116.db2.gz PXPFIGTYLHINSK-YPMHNXCESA-N 1 0 286.379 2.266 20 10 CECDRO C[C@@H]([NH2+]CCCC(=O)N(C)C)c1cc(F)ccc1O ZINC000185194579 262301785 /nfs/dbraw/zinc/30/17/85/262301785.db2.gz HKWUJPVJGVOZDQ-SNVBAGLBSA-N 1 0 268.332 2.050 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CN1C1CC1 ZINC000122328349 262347609 /nfs/dbraw/zinc/34/76/09/262347609.db2.gz DVCJRSVYSXVPTC-HIFRSBDPSA-N 1 0 273.424 2.467 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]2COC)c1 ZINC000293738925 263148772 /nfs/dbraw/zinc/14/87/72/263148772.db2.gz VODJXMVIOXLBJL-LBPRGKRZSA-N 1 0 251.326 2.012 20 10 CECDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297944510 263212762 /nfs/dbraw/zinc/21/27/62/263212762.db2.gz YIKIVNRQKBWCEV-KWCYVHTRSA-N 1 0 277.364 2.163 20 10 CECDRO Oc1ccc(Cl)cc1CN1CC[NH+]2CCC1CC2 ZINC000368039297 267140081 /nfs/dbraw/zinc/14/00/81/267140081.db2.gz FMSSUCIPBIVZEO-UHFFFAOYSA-N 1 0 266.772 2.326 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c(O)c1 ZINC000368334610 267163703 /nfs/dbraw/zinc/16/37/03/267163703.db2.gz WEOLCEVXZKTLFZ-UKRRQHHQSA-N 1 0 290.407 2.214 20 10 CECDRO COc1cccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1O ZINC000369683984 267259379 /nfs/dbraw/zinc/25/93/79/267259379.db2.gz QYPKVPVOFYLABX-WCQYABFASA-N 1 0 263.337 2.012 20 10 CECDRO CN(C)c1ccc(C2=CC[N@@H+]([C@@H]3CCOC3)C2)cc1 ZINC000370743258 267344219 /nfs/dbraw/zinc/34/42/19/267344219.db2.gz UYVXZIVJWVAWKH-MRXNPFEDSA-N 1 0 258.365 2.241 20 10 CECDRO CNC(=O)C1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297823676 277223250 /nfs/dbraw/zinc/22/32/50/277223250.db2.gz RNIJQXXIACUQJE-JXQTWKCFSA-N 1 0 288.391 2.274 20 10 CECDRO Cc1cc(C[N@H+](C)CCn2cccn2)ccc1N(C)C ZINC000292974893 301271029 /nfs/dbraw/zinc/27/10/29/301271029.db2.gz DTFMMWMRFPGCAL-UHFFFAOYSA-N 1 0 272.396 2.390 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc(Cl)ccc1O ZINC000185028670 327835998 /nfs/dbraw/zinc/83/59/98/327835998.db2.gz JAUQQINCCNMSAX-NWDGAFQWSA-N 1 0 298.814 2.417 20 10 CECDRO C/C=C/C[C@H](CO)[NH2+]Cc1cccc(OCC)c1O ZINC000185828531 327846837 /nfs/dbraw/zinc/84/68/37/327846837.db2.gz IOKSJAKINQZJBD-MASHWEEQSA-N 1 0 265.353 2.208 20 10 CECDRO COc1ccc(N2CC[NH+](C[C@@H]3CC[C@H](C)O3)CC2)cc1 ZINC000188535340 327864663 /nfs/dbraw/zinc/86/46/63/327864663.db2.gz NOIMNTOFLLAMJY-YOEHRIQHSA-N 1 0 290.407 2.385 20 10 CECDRO C[C@H]([NH2+]Cc1cncn1C)c1ccc(N(C)C)cc1 ZINC000274725916 328005944 /nfs/dbraw/zinc/00/59/44/328005944.db2.gz ACXLSRREFXMWSB-LBPRGKRZSA-N 1 0 258.369 2.337 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000271842457 328197967 /nfs/dbraw/zinc/19/79/67/328197967.db2.gz RDZBTHDBFOTLBM-NEPJUHHUSA-N 1 0 265.353 2.306 20 10 CECDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1O ZINC000377283295 329009816 /nfs/dbraw/zinc/00/98/16/329009816.db2.gz OKBUAUDGAZUHKK-CYBMUJFWSA-N 1 0 292.770 2.393 20 10 CECDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000377696421 329025274 /nfs/dbraw/zinc/02/52/74/329025274.db2.gz NJODHJQWPWVPPU-ZDUSSCGKSA-N 1 0 298.390 2.283 20 10 CECDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc(F)ccc3O)C[C@H]21 ZINC000378493529 329052761 /nfs/dbraw/zinc/05/27/61/329052761.db2.gz IKTORLKYUDAGKQ-BXUZGUMPSA-N 1 0 264.344 2.057 20 10 CECDRO COc1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1O ZINC000190335021 329395034 /nfs/dbraw/zinc/39/50/34/329395034.db2.gz KXVLDTDJDGXJJF-YRGRVCCFSA-N 1 0 263.337 2.058 20 10 CECDRO COc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1O ZINC000228144228 333295653 /nfs/dbraw/zinc/29/56/53/333295653.db2.gz YHKJPXVBHSRNLB-CHWSQXEVSA-N 1 0 263.337 2.154 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN2CCSCC2)c1 ZINC000230661627 333320031 /nfs/dbraw/zinc/32/00/31/333320031.db2.gz ZKOJGQVFYWJKMJ-ZDUSSCGKSA-N 1 0 280.437 2.400 20 10 CECDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cc(F)ccc1O ZINC000529643992 333503326 /nfs/dbraw/zinc/50/33/26/333503326.db2.gz LFPCWFJROPCPDE-YGRLFVJLSA-N 1 0 251.301 2.188 20 10 CECDRO C[C@@](O)(C[NH2+]Cc1ccccc1O)c1ccccc1 ZINC000134650527 334099293 /nfs/dbraw/zinc/09/92/93/334099293.db2.gz BQELPOWFSPLSDT-MRXNPFEDSA-N 1 0 257.333 2.390 20 10 CECDRO CC(=O)c1cc(F)cc(C[NH2+][C@H]2CCOC[C@@H]2C)c1O ZINC000277373049 518287623 /nfs/dbraw/zinc/28/76/23/518287623.db2.gz HIJNXESVGXGRSI-XPTSAGLGSA-N 1 0 281.327 2.249 20 10 CECDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000040773103 519223122 /nfs/dbraw/zinc/22/31/22/519223122.db2.gz JBZSXVYEJXEQFB-AWEZNQCLSA-N 1 0 250.386 2.249 20 10 CECDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C1 ZINC000279781614 519537470 /nfs/dbraw/zinc/53/74/70/519537470.db2.gz LIBAFQJVTSMUCR-LBPRGKRZSA-N 1 0 296.798 2.394 20 10 CECDRO CC(C)[NH+]1CCC(NC(=O)NCc2ccccc2O)CC1 ZINC000299471175 519671516 /nfs/dbraw/zinc/67/15/16/519671516.db2.gz DBEITJVDGVVROF-UHFFFAOYSA-N 1 0 291.395 2.064 20 10 CECDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1OC ZINC000274846219 520367657 /nfs/dbraw/zinc/36/76/57/520367657.db2.gz AGZSXSAASOBENG-FVQBIDKESA-N 1 0 279.380 2.286 20 10 CECDRO CCCCN(C)C[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000290013982 520415301 /nfs/dbraw/zinc/41/53/01/520415301.db2.gz ZCAQLNPFXUZLJV-GFCCVEGCSA-N 1 0 294.395 2.331 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1OC ZINC000274846221 520429924 /nfs/dbraw/zinc/42/99/24/520429924.db2.gz AGZSXSAASOBENG-IMJJTQAJSA-N 1 0 279.380 2.286 20 10 CECDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2O)C1 ZINC000125978987 521139997 /nfs/dbraw/zinc/13/99/97/521139997.db2.gz JFTOIGHAUSTYTO-YPMHNXCESA-N 1 0 293.363 2.222 20 10 CECDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000277911701 521153514 /nfs/dbraw/zinc/15/35/14/521153514.db2.gz PMJYBSHARPNMHC-RISCZKNCSA-N 1 0 265.353 2.306 20 10 CECDRO CCOc1cccc(C[NH2+]CCN2CC=CCC2)c1O ZINC000279654740 521363243 /nfs/dbraw/zinc/36/32/43/521363243.db2.gz FMRFEBXAIJVGCE-UHFFFAOYSA-N 1 0 276.380 2.142 20 10 CECDRO CCOc1cccc(C[NH2+]Cc2cccnc2)c1O ZINC000020140830 521367305 /nfs/dbraw/zinc/36/73/05/521367305.db2.gz YRCMYWCCYPZPTB-UHFFFAOYSA-N 1 0 258.321 2.476 20 10 CECDRO CCC[N@H+](CC(=O)NC(C)C)Cc1ccccc1O ZINC000069009942 521541799 /nfs/dbraw/zinc/54/17/99/521541799.db2.gz WJJRARUDAAVMQC-UHFFFAOYSA-N 1 0 264.369 2.129 20 10 CECDRO CCCN(CC)C[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000289446063 521611483 /nfs/dbraw/zinc/61/14/83/521611483.db2.gz BEGKZJSFLUMQJB-GFCCVEGCSA-N 1 0 294.395 2.331 20 10 CECDRO CC[C@H](CCO)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000094949091 522144020 /nfs/dbraw/zinc/14/40/20/522144020.db2.gz QBDJLLZTJFWWQA-CYBMUJFWSA-N 1 0 250.386 2.251 20 10 CECDRO CN(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cc1 ZINC000126509905 522183372 /nfs/dbraw/zinc/18/33/72/522183372.db2.gz MONORFNWOXZCRQ-XYPWUTKMSA-N 1 0 260.381 2.240 20 10 CECDRO CC[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)OC ZINC000289795107 522198577 /nfs/dbraw/zinc/19/85/77/522198577.db2.gz LTLXLMMCJAXAAM-GFCCVEGCSA-N 1 0 254.349 2.406 20 10 CECDRO CN(C)c1ccc(C[NH2+]C[C@](C)(O)c2ccco2)cc1 ZINC000266162939 522209578 /nfs/dbraw/zinc/20/95/78/522209578.db2.gz OHGROBSDCFOARB-INIZCTEOSA-N 1 0 274.364 2.343 20 10 CECDRO CN(C)c1ccc(C[NH2+]Cc2c[nH]c3nccnc23)cc1 ZINC000290929342 522209820 /nfs/dbraw/zinc/20/98/20/522209820.db2.gz RSVXLTJNBWSRBJ-UHFFFAOYSA-N 1 0 281.363 2.314 20 10 CECDRO CC[C@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(C)cc1O ZINC000280032656 522688052 /nfs/dbraw/zinc/68/80/52/522688052.db2.gz IHKLIWWUVRIUKA-HOCLYGCPSA-N 1 0 292.423 2.462 20 10 CECDRO CC[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(C)cc1O ZINC000280239238 522853491 /nfs/dbraw/zinc/85/34/91/522853491.db2.gz VWYHDBWPDXSFIW-GDBMZVCRSA-N 1 0 289.379 2.208 20 10 CECDRO COCCC1(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000151222658 523063271 /nfs/dbraw/zinc/06/32/71/523063271.db2.gz BCDYCNCMFCFBRI-UHFFFAOYSA-N 1 0 279.336 2.027 20 10 CECDRO CO[C@H](C)C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000289591475 523879201 /nfs/dbraw/zinc/87/92/01/523879201.db2.gz KMITUAPIKZGEFU-LLVKDONJSA-N 1 0 254.349 2.358 20 10 CECDRO C[NH+](C)C/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000264645726 524033535 /nfs/dbraw/zinc/03/35/35/524033535.db2.gz RMCKPTNFRJMSLA-AATRIKPKSA-N 1 0 287.407 2.021 20 10 CECDRO Cc1cccc(C[N@@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000279607291 524402317 /nfs/dbraw/zinc/40/23/17/524402317.db2.gz FFYMFZSTCKQPPT-CZUORRHYSA-N 1 0 277.364 2.080 20 10 CECDRO COc1ccc(O)c(C[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000279387747 524750080 /nfs/dbraw/zinc/75/00/80/524750080.db2.gz LCZWFGMBSYPAQD-UHFFFAOYSA-N 1 0 291.391 2.433 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1 ZINC000281071295 524762958 /nfs/dbraw/zinc/76/29/58/524762958.db2.gz OGOCLBCPEJUQGK-BIBXISHDSA-N 1 0 297.420 2.353 20 10 CECDRO C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccccc1O ZINC000281125100 525322015 /nfs/dbraw/zinc/32/20/15/525322015.db2.gz SOPYOABRXSYZAR-VOJFVSQTSA-N 1 0 267.394 2.344 20 10 CECDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000044495343 525525553 /nfs/dbraw/zinc/52/55/53/525525553.db2.gz NRFKHBXXEQWOAV-GFCCVEGCSA-N 1 0 258.369 2.337 20 10 CECDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(C)ccc2O)o1 ZINC000265985892 525780112 /nfs/dbraw/zinc/78/01/12/525780112.db2.gz NFWJROHFYCBVLC-AWEZNQCLSA-N 1 0 261.321 2.425 20 10 CECDRO c1cncc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000020141290 526546513 /nfs/dbraw/zinc/54/65/13/526546513.db2.gz KPCPKVOEMRQLBC-UHFFFAOYSA-N 1 0 283.375 2.208 20 10 CECDRO COC(=O)C1CCC([NH2+]Cc2ccc(OC)cc2O)CC1 ZINC000730107481 574501909 /nfs/dbraw/zinc/50/19/09/574501909.db2.gz LKKCYDMISHCIAP-UHFFFAOYSA-N 1 0 293.363 2.222 20 10 CECDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(OCC)cc1O ZINC000751501880 575290605 /nfs/dbraw/zinc/29/06/05/575290605.db2.gz RUGUGPNTUNLLHX-HNNXBMFYSA-N 1 0 267.369 2.432 20 10 CECDRO OC[C@H]([NH2+]Cc1ccccc1O)c1ccc(F)cc1 ZINC000734851057 574732109 /nfs/dbraw/zinc/73/21/09/574732109.db2.gz SUNXBFFLOZTBAW-AWEZNQCLSA-N 1 0 261.296 2.355 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)c1ccc(C)o1 ZINC000741260617 574979763 /nfs/dbraw/zinc/97/97/63/574979763.db2.gz IJXCXGNIAQKXGL-CYBMUJFWSA-N 1 0 277.320 2.125 20 10 CECDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CN1CCCC1 ZINC000743869826 575111683 /nfs/dbraw/zinc/11/16/83/575111683.db2.gz BRROQKFUYWNFOL-INIZCTEOSA-N 1 0 292.423 2.061 20 10 CECDRO C[C@@H](CNC(=O)NCc1ccccc1O)[NH+]1CCCCC1 ZINC000748460325 575187228 /nfs/dbraw/zinc/18/72/28/575187228.db2.gz NYNCATRWJNDKAM-ZDUSSCGKSA-N 1 0 291.395 2.066 20 10 CECDRO C[C@@H](CC[NH+](C)C)NC(=O)NCc1cccc(Cl)c1O ZINC000892431673 625392962 /nfs/dbraw/zinc/39/29/62/625392962.db2.gz VXWHHVRGTXSYHF-JTQLQIEISA-N 1 0 299.802 2.185 20 10 CECDRO COc1ccc(N2CCC([NH2+][C@@H](C)[C@H](C)O)CC2)cc1 ZINC000806171230 622912224 /nfs/dbraw/zinc/91/22/24/622912224.db2.gz XAYGCHINXLBFFG-STQMWFEESA-N 1 0 278.396 2.023 20 10 CECDRO C[NH2+][C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000843348650 622941135 /nfs/dbraw/zinc/94/11/35/622941135.db2.gz VUUWURCYAOXPOD-CYBMUJFWSA-N 1 0 296.798 2.432 20 10 CECDRO COC[C@H]1CCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000160357333 623248013 /nfs/dbraw/zinc/24/80/13/623248013.db2.gz FLYHMRUXDIWSQJ-GFCCVEGCSA-N 1 0 281.352 2.020 20 10 CECDRO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)F)[NH+](C)C)cc1 ZINC000891249560 623325909 /nfs/dbraw/zinc/32/59/09/623325909.db2.gz UQYKIQHVIADVHY-CQSZACIVSA-N 1 0 295.402 2.220 20 10 CECDRO COC[C@H](C)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050286962 623385573 /nfs/dbraw/zinc/38/55/73/623385573.db2.gz UPJGILJQKBQVEP-CYBMUJFWSA-N 1 0 262.397 2.441 20 10 CECDRO COC[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050286961 623385665 /nfs/dbraw/zinc/38/56/65/623385665.db2.gz UPJGILJQKBQVEP-ZDUSSCGKSA-N 1 0 262.397 2.441 20 10 CECDRO CC[C@@]1(CO)CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000779216165 623399142 /nfs/dbraw/zinc/39/91/42/623399142.db2.gz ALYMVAMQEWGOCS-MRXNPFEDSA-N 1 0 279.380 2.385 20 10 CECDRO COc1ccc(O)c(C[NH2+]C(C)(C)CN2CCCC2)c1 ZINC000308641735 623707028 /nfs/dbraw/zinc/70/70/28/623707028.db2.gz MWWSOIMIPYYPIG-UHFFFAOYSA-N 1 0 278.396 2.365 20 10 CECDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCCO2)c(O)c1OC ZINC000891787250 623968852 /nfs/dbraw/zinc/96/88/52/623968852.db2.gz SGFYQQZUKZAHCI-ZDUSSCGKSA-N 1 0 295.379 2.410 20 10 CECDRO COc1cccc(C[NH2+]C[C@]2(C)CCCO2)c1O ZINC000094797973 624153836 /nfs/dbraw/zinc/15/38/36/624153836.db2.gz KCGGKRUAOXAREH-AWEZNQCLSA-N 1 0 251.326 2.060 20 10 CECDRO CC(C)(C)NC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000849048600 624735745 /nfs/dbraw/zinc/73/57/45/624735745.db2.gz JRQCTNDBTZGXEH-UHFFFAOYSA-N 1 0 255.749 2.458 20 10 CECDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(F)ccc1O ZINC000829208207 624839753 /nfs/dbraw/zinc/83/97/53/624839753.db2.gz GYGCUPPLXLMMQJ-ZJUUUORDSA-N 1 0 253.317 2.343 20 10 CECDRO CCOc1ccc(C[NH2+]CCCn2ccnc2C)c(O)c1 ZINC000725846684 625768290 /nfs/dbraw/zinc/76/82/90/625768290.db2.gz KYVBXDSNARBFCS-UHFFFAOYSA-N 1 0 289.379 2.476 20 10 CECDRO CC[N@H+](Cc1cccc(OC)c1O)[C@@H]1CCOC1 ZINC000311098783 627366646 /nfs/dbraw/zinc/36/66/46/627366646.db2.gz BYPHKTYCEDWJAR-GFCCVEGCSA-N 1 0 251.326 2.012 20 10 CECDRO CCOc1cccc(C[NH2+][C@H]2CCOC[C@H]2C)c1O ZINC000311520585 627674795 /nfs/dbraw/zinc/67/47/95/627674795.db2.gz VLSHYDNGTZJHOM-YPMHNXCESA-N 1 0 265.353 2.306 20 10 CECDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893120169 628018926 /nfs/dbraw/zinc/01/89/26/628018926.db2.gz VQZSANAEJITRIX-HNNXBMFYSA-N 1 0 283.368 2.050 20 10 CECDRO COc1ccc(C[NH2+]CCCCCCO)c(O)c1OC ZINC000893303738 628277912 /nfs/dbraw/zinc/27/79/12/628277912.db2.gz UGFZLAADMFLLCS-UHFFFAOYSA-N 1 0 283.368 2.052 20 10 CECDRO COc1ccc(C[NH2+]C2(C)CCC2)c(O)c1OC ZINC000893384230 628543302 /nfs/dbraw/zinc/54/33/02/628543302.db2.gz MNSSJMPFNLWYIL-UHFFFAOYSA-N 1 0 251.326 2.442 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2cn(C)cn2)c1 ZINC000313261423 628585849 /nfs/dbraw/zinc/58/58/49/628585849.db2.gz AKKSTXTUCBUJSK-GFCCVEGCSA-N 1 0 259.353 2.327 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)Cn1ccnc1 ZINC000840928770 628733890 /nfs/dbraw/zinc/73/38/90/628733890.db2.gz IYCQGXJNNRZOPH-CQSZACIVSA-N 1 0 272.396 2.436 20 10 CECDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)c(O)c1OC ZINC000893721540 628987856 /nfs/dbraw/zinc/98/78/56/628987856.db2.gz SVWPEPUMAUCUKR-AAEUAGOBSA-N 1 0 295.379 2.050 20 10 CECDRO C[N@H+](CCO)Cc1cc(Cl)cc(Br)c1[O-] ZINC000893871035 629023501 /nfs/dbraw/zinc/02/35/01/629023501.db2.gz JURXBTSXNFCENY-UHFFFAOYSA-N 1 0 294.576 2.232 20 10 CECDRO C[NH+](C)C1(C(=O)NCCCSc2nccs2)CCC1 ZINC000158871993 629237695 /nfs/dbraw/zinc/23/76/95/629237695.db2.gz LXDNUINOJLOWCX-UHFFFAOYSA-N 1 0 299.465 2.226 20 10 CECDRO COc1ccc(C[NH2+]CCCOC(F)F)c(O)c1OC ZINC000894270814 629287535 /nfs/dbraw/zinc/28/75/35/629287535.db2.gz ITJKTXFKOOBLRX-UHFFFAOYSA-N 1 0 291.294 2.128 20 10 CECDRO COC(=O)CC1([NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC000894374277 629405966 /nfs/dbraw/zinc/40/59/66/629405966.db2.gz HHTAZYOXPSGHIZ-UHFFFAOYSA-N 1 0 285.290 2.246 20 10 CECDRO COc1cc(C)cc(C[NH2+]CC2(CO)CCCC2)c1O ZINC000894480724 629486691 /nfs/dbraw/zinc/48/66/91/629486691.db2.gz RGROQFXSOHYKAZ-UHFFFAOYSA-N 1 0 279.380 2.352 20 10 CECDRO CC[C@@]1(O)CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000894502962 629498778 /nfs/dbraw/zinc/49/87/78/629498778.db2.gz DHEHMKWQEADENY-OAHLLOKOSA-N 1 0 265.353 2.056 20 10 CECDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H]2C)c(O)c1OC ZINC000894627535 629562277 /nfs/dbraw/zinc/56/22/77/629562277.db2.gz IXBKSJXYWAJFLY-VHSXEESVSA-N 1 0 251.326 2.250 20 10 CECDRO COc1cccc(C[NH2+][C@H](C)c2cnccn2)c1O ZINC000894764275 629631251 /nfs/dbraw/zinc/63/12/51/629631251.db2.gz GSAAIUVGRNRKLB-SNVBAGLBSA-N 1 0 259.309 2.042 20 10 CECDRO Cc1ccc(O)c(C[NH2+]CCO[C@H]2CCCCO2)c1 ZINC000894798749 629646658 /nfs/dbraw/zinc/64/66/58/629646658.db2.gz HWCYIJXKUNLVMK-HNNXBMFYSA-N 1 0 265.353 2.333 20 10 CECDRO COc1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c(O)c1OC ZINC000894862782 629701773 /nfs/dbraw/zinc/70/17/73/629701773.db2.gz JRKSANVBAACGHG-OLZOCXBDSA-N 1 0 293.363 2.020 20 10 CECDRO CC(C)[N@H+](Cc1cc(F)cc(F)c1[O-])C1COC1 ZINC000894868874 629707317 /nfs/dbraw/zinc/70/73/17/629707317.db2.gz KEEKKPQFAZIPDT-UHFFFAOYSA-N 1 0 257.280 2.280 20 10 CECDRO COc1cc(O)c(C[N@@H+](C)[C@@H]2CC[C@@H]2OC)cc1OC ZINC000902639813 634758396 /nfs/dbraw/zinc/75/83/96/634758396.db2.gz XXULVLRRUZQNFQ-YPMHNXCESA-N 1 0 281.352 2.019 20 10 CECDRO COc1cc(C)cc(C[N@@H+](C)C2CCN(OC)CC2)c1O ZINC000894969804 629773502 /nfs/dbraw/zinc/77/35/02/629773502.db2.gz MGEKJWYENJUBRE-UHFFFAOYSA-N 1 0 294.395 2.167 20 10 CECDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(OC)c2O)C1 ZINC000894983903 629784413 /nfs/dbraw/zinc/78/44/13/629784413.db2.gz TYCYUKKXQHAXJQ-BETUJISGSA-N 1 0 265.353 2.366 20 10 CECDRO COc1cc(C)cc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1O ZINC000895033195 629805348 /nfs/dbraw/zinc/80/53/48/629805348.db2.gz GYSZGFZUNXHJQR-STQMWFEESA-N 1 0 279.380 2.160 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@@H](CC)C(=O)OC)c(O)c1 ZINC000895119886 629922282 /nfs/dbraw/zinc/92/22/82/629922282.db2.gz IQSQURPJSGPWJR-LLVKDONJSA-N 1 0 281.352 2.080 20 10 CECDRO CC[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)OC ZINC000895128417 629933906 /nfs/dbraw/zinc/93/39/06/629933906.db2.gz SZIVMZJOZKZXRX-QMMMGPOBSA-N 1 0 289.734 2.474 20 10 CECDRO COc1cc(O)c(C[N@@H+]2CCCCC[C@H]2CO)cc1OC ZINC000895150306 629964786 /nfs/dbraw/zinc/96/47/86/629964786.db2.gz JSHHSJCLCQMMNL-ZDUSSCGKSA-N 1 0 295.379 2.146 20 10 CECDRO Cc1cc(Cl)cc(CN[C@H](CC[NH3+])C(F)F)c1O ZINC000841074062 634785130 /nfs/dbraw/zinc/78/51/30/634785130.db2.gz LKOAIIJKJYHQNT-SNVBAGLBSA-N 1 0 278.730 2.426 20 10 CECDRO COc1ccc(C[NH2+][C@H]2COC(C)(C)C2)c(O)c1OC ZINC000895306440 630092978 /nfs/dbraw/zinc/09/29/78/630092978.db2.gz JZMUFWDBDWBVIU-LLVKDONJSA-N 1 0 281.352 2.067 20 10 CECDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841299618 630217485 /nfs/dbraw/zinc/21/74/85/630217485.db2.gz LNDKCTQRFHWYGR-IUODEOHRSA-N 1 0 288.395 2.359 20 10 CECDRO Cc1ccc(C[NH+]2CCC3(CC2)COCCO3)c(O)c1 ZINC000895698197 630310249 /nfs/dbraw/zinc/31/02/49/630310249.db2.gz CQXNWWSKBVHBOI-UHFFFAOYSA-N 1 0 277.364 2.082 20 10 CECDRO COC(=O)C[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@H]1C ZINC000896471902 630569582 /nfs/dbraw/zinc/56/95/82/630569582.db2.gz GWSFHOUMLSQKNW-CHWSQXEVSA-N 1 0 277.364 2.332 20 10 CECDRO CCOC(=O)[C@H]1CC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000896962347 630847220 /nfs/dbraw/zinc/84/72/20/630847220.db2.gz MIJKYCQZZSEREL-ZDUSSCGKSA-N 1 0 293.363 2.176 20 10 CECDRO CSCCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000799159166 630987432 /nfs/dbraw/zinc/98/74/32/630987432.db2.gz DQPNDBXDJVSIST-CYBMUJFWSA-N 1 0 283.393 2.003 20 10 CECDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](C)O ZINC000824921539 635525915 /nfs/dbraw/zinc/52/59/15/635525915.db2.gz MWDYVWIDAYRIJF-GWCFXTLKSA-N 1 0 254.349 2.141 20 10 CECDRO COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2OC)c1O ZINC000799352424 631019606 /nfs/dbraw/zinc/01/96/06/631019606.db2.gz UCBSMDQGDHMWTA-STQMWFEESA-N 1 0 265.353 2.448 20 10 CECDRO CC[C@H]([NH2+][C@H]1CCC(=O)NC1(C)C)c1ccccc1O ZINC000802313016 631424131 /nfs/dbraw/zinc/42/41/31/631424131.db2.gz DTXYONVFOSDFSA-JSGCOSHPSA-N 1 0 276.380 2.490 20 10 CECDRO CCC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC000987676468 631443771 /nfs/dbraw/zinc/44/37/71/631443771.db2.gz ZTBSDMGQWWSTNG-DZGCQCFKSA-N 1 0 290.407 2.493 20 10 CECDRO Oc1ccc(F)cc1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897528507 631662450 /nfs/dbraw/zinc/66/24/50/631662450.db2.gz JFCHHFJZXCECEP-UHFFFAOYSA-N 1 0 265.328 2.316 20 10 CECDRO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1O)C(=O)NCCF ZINC000841752258 631676221 /nfs/dbraw/zinc/67/62/21/631676221.db2.gz NWCHLJFMBKOEHT-IUCAKERBSA-N 1 0 288.750 2.170 20 10 CECDRO C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C[NH2+]1 ZINC000843120076 631728651 /nfs/dbraw/zinc/72/86/51/631728651.db2.gz UKUVOLBLIZZSTL-RYUDHWBXSA-N 1 0 265.376 2.074 20 10 CECDRO CC(C)C[C@@H]([NH3+])CN1CCOc2cc(N(C)C)ccc21 ZINC000841011928 631736055 /nfs/dbraw/zinc/73/60/55/631736055.db2.gz SOQIJTODQJXLCL-CYBMUJFWSA-N 1 0 277.412 2.325 20 10 CECDRO COC[C@@H]1CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000840084581 631809895 /nfs/dbraw/zinc/80/98/95/631809895.db2.gz UNROUXIZXALRLZ-LBPRGKRZSA-N 1 0 258.321 2.161 20 10 CECDRO C[C@@H]([NH2+]Cc1cccc(F)c1[O-])[C@H]1CCC[NH2+]C1 ZINC000841032708 631820057 /nfs/dbraw/zinc/82/00/57/631820057.db2.gz FNZLQYLFLNTKFS-MNOVXSKESA-N 1 0 252.333 2.009 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@](O)(C(F)F)C1)CCC2 ZINC000840114284 631868347 /nfs/dbraw/zinc/86/83/47/631868347.db2.gz JBGCXRCBDRRLEJ-HNNXBMFYSA-N 1 0 283.318 2.083 20 10 CECDRO Cc1cccc(C[NH2+]Cc2cnn(CCF)c2)c1O ZINC000897737579 631908098 /nfs/dbraw/zinc/90/80/98/631908098.db2.gz NYMHUHXCKQGBNB-UHFFFAOYSA-N 1 0 263.316 2.156 20 10 CECDRO COc1cccc(O)c1C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897781094 631913421 /nfs/dbraw/zinc/91/34/21/631913421.db2.gz OXKLQZZBLRYUTP-OPGSHWCFSA-N 1 0 277.364 2.448 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CC23CC(O)C3)cc1 ZINC000897843949 631941684 /nfs/dbraw/zinc/94/16/84/631941684.db2.gz KBXHXAWYORUKFS-YCZKOUEWSA-N 1 0 272.392 2.269 20 10 CECDRO COC(=O)C[C@@H]([NH2+]Cc1cc(OC)ccc1O)C(C)(C)C ZINC000897889628 631963013 /nfs/dbraw/zinc/96/30/13/631963013.db2.gz WCHBZPQDHCTBDZ-CQSZACIVSA-N 1 0 295.379 2.468 20 10 CECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1O ZINC000808689172 632001422 /nfs/dbraw/zinc/00/14/22/632001422.db2.gz ZLTFJSLXCLUFBV-ONGXEEELSA-N 1 0 282.771 2.235 20 10 CECDRO Cc1cc(O)c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1Cl ZINC000825720746 635702893 /nfs/dbraw/zinc/70/28/93/635702893.db2.gz KEPASKMWKQWNRX-BETUJISGSA-N 1 0 280.799 2.347 20 10 CECDRO Cc1cc(O)c(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)cc1Cl ZINC000825732066 635703913 /nfs/dbraw/zinc/70/39/13/635703913.db2.gz OCQAPBRWFBNEIN-HNNXBMFYSA-N 1 0 294.782 2.066 20 10 CECDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](CO)COC(C)C)c1 ZINC000809768773 632143890 /nfs/dbraw/zinc/14/38/90/632143890.db2.gz WOOWJMOPJZLJAM-AWEZNQCLSA-N 1 0 297.395 2.009 20 10 CECDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCC3)C1)[C@H](O)CO2 ZINC000840188839 632157104 /nfs/dbraw/zinc/15/71/04/632157104.db2.gz MXZHIUGLPBOUNY-MLGOLLRUSA-N 1 0 289.375 2.440 20 10 CECDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000810173040 632188806 /nfs/dbraw/zinc/18/88/06/632188806.db2.gz VUQGOPWJGMMCCR-OAHLLOKOSA-N 1 0 268.376 2.388 20 10 CECDRO CCOc1ccc(C[NH2+]C[C@H](CC)OC)c(O)c1 ZINC000810176840 632191801 /nfs/dbraw/zinc/19/18/01/632191801.db2.gz ZJLXULBVUMUIHY-LBPRGKRZSA-N 1 0 253.342 2.306 20 10 CECDRO CCO[C@H](C[NH2+][C@@H](CC)c1ccccc1O)CN(C)C ZINC000926958247 632385945 /nfs/dbraw/zinc/38/59/45/632385945.db2.gz FIBNYHLDSLSSCY-HIFRSBDPSA-N 1 0 280.412 2.400 20 10 CECDRO CC[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccccc1O ZINC000927080448 632448706 /nfs/dbraw/zinc/44/87/06/632448706.db2.gz KVJZACDLWWFPJK-TZMCWYRMSA-N 1 0 265.353 2.238 20 10 CECDRO CC[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccccc1O ZINC000927080422 632448829 /nfs/dbraw/zinc/44/88/29/632448829.db2.gz KVJZACDLWWFPJK-GXTWGEPZSA-N 1 0 265.353 2.238 20 10 CECDRO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCCOC2)N(C)C)cc1 ZINC000898449703 632499215 /nfs/dbraw/zinc/49/92/15/632499215.db2.gz JJFVQNCWQPKDFW-NVXWUHKLSA-N 1 0 291.439 2.124 20 10 CECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]C2COCCOC2)c1O ZINC000813879487 632751938 /nfs/dbraw/zinc/75/19/38/632751938.db2.gz MOAALSXHMFXQLJ-SNVBAGLBSA-N 1 0 285.771 2.420 20 10 CECDRO COCC1([NH2+]Cc2ccc(N(C)C)c(F)c2)CCOCC1 ZINC000814302024 632822082 /nfs/dbraw/zinc/82/20/82/632822082.db2.gz NBWBGLJXZQLIOX-UHFFFAOYSA-N 1 0 296.386 2.177 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826853532 635862155 /nfs/dbraw/zinc/86/21/55/635862155.db2.gz VYZVEGRHKQBVSV-HNNXBMFYSA-N 1 0 299.422 2.175 20 10 CECDRO Cc1cc(C[N@@H+]2CCCC[C@H]2CO)ccc1N(C)C ZINC000815017722 632950627 /nfs/dbraw/zinc/95/06/27/632950627.db2.gz UGKMLNBQBOGGJQ-HNNXBMFYSA-N 1 0 262.397 2.408 20 10 CECDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)[C@H]1C ZINC000815100768 632959990 /nfs/dbraw/zinc/95/99/90/632959990.db2.gz UPTBBQKQUNYUAN-ZFWWWQNUSA-N 1 0 290.407 2.444 20 10 CECDRO CCCN1C[C@@H](C[NH2+]Cc2c(O)cccc2Cl)CC1=O ZINC000817411775 633650930 /nfs/dbraw/zinc/65/09/30/633650930.db2.gz YXQLAASCZSQDGR-LLVKDONJSA-N 1 0 296.798 2.394 20 10 CECDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)c1 ZINC000817586430 633702949 /nfs/dbraw/zinc/70/29/49/633702949.db2.gz OHURZPNDUHJIPN-LLVKDONJSA-N 1 0 262.353 2.007 20 10 CECDRO C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000817939169 633788497 /nfs/dbraw/zinc/78/84/97/633788497.db2.gz AAPDPVRLNKBLQB-SUMWQHHRSA-N 1 0 284.407 2.498 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]C[C@H](N)c2ccc(N(C)C)cc2)[C@H]1C ZINC000817943279 633790650 /nfs/dbraw/zinc/79/06/50/633790650.db2.gz TYDOUMUGTXORHW-KNPMLCFXSA-N 1 0 261.413 2.387 20 10 CECDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817945224 633792083 /nfs/dbraw/zinc/79/20/83/633792083.db2.gz XMXIMGCVTGDOJT-RISCZKNCSA-N 1 0 260.381 2.284 20 10 CECDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817945225 633792350 /nfs/dbraw/zinc/79/23/50/633792350.db2.gz XMXIMGCVTGDOJT-SMDDNHRTSA-N 1 0 260.381 2.284 20 10 CECDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)c2nccn21 ZINC000817957796 633799930 /nfs/dbraw/zinc/79/99/30/633799930.db2.gz PGFAYDPOPIXJAG-BXUZGUMPSA-N 1 0 256.353 2.303 20 10 CECDRO C[C@@H](NCC(C)(C)[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817961026 633802515 /nfs/dbraw/zinc/80/25/15/633802515.db2.gz WJZDJZFJOLZDNE-GFCCVEGCSA-N 1 0 295.402 2.050 20 10 CECDRO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1cc(F)ccc1O ZINC000817967852 633810543 /nfs/dbraw/zinc/81/05/43/633810543.db2.gz CUQOZQLSCURHAT-GBIKHYSHSA-N 1 0 252.333 2.180 20 10 CECDRO C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817969760 633812330 /nfs/dbraw/zinc/81/23/30/633812330.db2.gz ZLZQUPNUVPISOF-CMPLNLGQSA-N 1 0 252.333 2.324 20 10 CECDRO CC[C@@H](NC[C@]1(COC)CCC[NH2+]1)c1ccccc1O ZINC000817973369 633817297 /nfs/dbraw/zinc/81/72/97/633817297.db2.gz DSFRTBPRJLBPTI-ZBFHGGJFSA-N 1 0 278.396 2.202 20 10 CECDRO C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817977254 633820025 /nfs/dbraw/zinc/82/00/25/633820025.db2.gz FQCVEMUFUAJRFJ-IUCAKERBSA-N 1 0 258.312 2.448 20 10 CECDRO C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1[O-] ZINC000817976852 633820645 /nfs/dbraw/zinc/82/06/45/633820645.db2.gz VMJRDQGTOOGJOC-YGRLFVJLSA-N 1 0 264.344 2.324 20 10 CECDRO Cc1ccc(O)c([C@@H](C)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000817981370 633825162 /nfs/dbraw/zinc/82/51/62/633825162.db2.gz RPTGRJQQUFUTSJ-MFKMUULPSA-N 1 0 270.323 2.348 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c1 ZINC000817996428 633829315 /nfs/dbraw/zinc/82/93/15/633829315.db2.gz FFTIYWKOCAIGRS-ZETOZRRWSA-N 1 0 294.395 2.197 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])c1 ZINC000817996427 633830157 /nfs/dbraw/zinc/83/01/57/633830157.db2.gz FFTIYWKOCAIGRS-PGUXBMHVSA-N 1 0 294.395 2.197 20 10 CECDRO [NH3+]CC1(CC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000817997779 633831270 /nfs/dbraw/zinc/83/12/70/633831270.db2.gz WFQALELBXMHJQU-UHFFFAOYSA-N 1 0 288.391 2.016 20 10 CECDRO CC(C)OC[C@H](O)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818953470 634015307 /nfs/dbraw/zinc/01/53/07/634015307.db2.gz HVBWICSKZWHUFJ-QGZVFWFLSA-N 1 0 292.423 2.162 20 10 CECDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]CC1(O)CCC1 ZINC000819377732 634162198 /nfs/dbraw/zinc/16/21/98/634162198.db2.gz UELDRMSFBXFWSC-CQSZACIVSA-N 1 0 276.424 2.497 20 10 CECDRO Cc1cc(C)c([C@H](C)[NH2+]CCN2CCCOCC2)c(O)c1 ZINC000903228964 635027876 /nfs/dbraw/zinc/02/78/76/635027876.db2.gz URBFFEGSBJHACZ-HNNXBMFYSA-N 1 0 292.423 2.382 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cnn(CCF)c1)CC2 ZINC000903274710 635040867 /nfs/dbraw/zinc/04/08/67/635040867.db2.gz RAFJZWOVMGIYLF-ZDUSSCGKSA-N 1 0 275.327 2.335 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2COC[C@H]2C)c1O ZINC000903393587 635090135 /nfs/dbraw/zinc/09/01/35/635090135.db2.gz PQQDTCRKZLSGNI-SCVCMEIPSA-N 1 0 251.326 2.086 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2COC[C@@H]2C2CC2)c1O ZINC000903440578 635119675 /nfs/dbraw/zinc/11/96/75/635119675.db2.gz QTWWYSSJJCJCCC-GDLCADMTSA-N 1 0 277.364 2.476 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)CC2 ZINC000903441169 635120796 /nfs/dbraw/zinc/12/07/96/635120796.db2.gz YJMAWVJKXLDFIG-MJBXVCDLSA-N 1 0 259.349 2.394 20 10 CECDRO CCN(CC)c1ccc(CN[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903960756 635370682 /nfs/dbraw/zinc/37/06/82/635370682.db2.gz YBUPHYYSYSKEIR-CZUORRHYSA-N 1 0 261.413 2.230 20 10 CECDRO Oc1cccc(Cl)c1CNC[C@@H]1C[NH2+]CCC1(F)F ZINC000903955843 635389177 /nfs/dbraw/zinc/38/91/77/635389177.db2.gz ZYTJRVXNANESDN-VIFPVBQESA-N 1 0 290.741 2.380 20 10 CECDRO Cc1cc(O)c(C[NH+]2CCC(CC(N)=O)CC2)cc1Cl ZINC000824575976 635455505 /nfs/dbraw/zinc/45/55/05/635455505.db2.gz WEKITRMXFDDMPK-UHFFFAOYSA-N 1 0 296.798 2.441 20 10 CECDRO CCOc1ccc(C[NH2+][C@H](CC)[C@H](O)C(F)F)c(O)c1 ZINC000824635310 635467368 /nfs/dbraw/zinc/46/73/68/635467368.db2.gz GPYFTJCSQSHIQL-YPMHNXCESA-N 1 0 289.322 2.285 20 10 CECDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000824636289 635467437 /nfs/dbraw/zinc/46/74/37/635467437.db2.gz OGLQUGDAQQTOSJ-WCQYABFASA-N 1 0 295.379 2.002 20 10 CECDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CO)[C@H]2CC)c1 ZINC000824636526 635468433 /nfs/dbraw/zinc/46/84/33/635468433.db2.gz RPRDIJPATWRPTN-IUODEOHRSA-N 1 0 279.380 2.384 20 10 CECDRO Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1O ZINC000824653944 635470984 /nfs/dbraw/zinc/47/09/84/635470984.db2.gz JSDVBNNLCRPBMJ-OAGGEKHMSA-N 1 0 291.391 2.062 20 10 CECDRO OC[C@H]([C@H]([NH2+]Cc1cc(F)ccc1O)C1CC1)C1CC1 ZINC000824846436 635510812 /nfs/dbraw/zinc/51/08/12/635510812.db2.gz SCGIWWTUMNMUOO-GOEBONIOSA-N 1 0 279.355 2.418 20 10 CECDRO COc1ccc(O)c(C[N@H+](CCO)C2CCSCC2)c1 ZINC000825133697 635575902 /nfs/dbraw/zinc/57/59/02/635575902.db2.gz KUZRCYCELMXDMF-UHFFFAOYSA-N 1 0 297.420 2.091 20 10 CECDRO COc1cccnc1C[NH2+]Cc1cccc(C)c1O ZINC000825249325 635599147 /nfs/dbraw/zinc/59/91/47/635599147.db2.gz BWMCLETWMYCGHC-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO Nc1cc[nH+]c(CNCc2ccc3c(c2)CCCO3)c1 ZINC000904385981 635608243 /nfs/dbraw/zinc/60/82/43/635608243.db2.gz MBNACXWHXAVPGA-UHFFFAOYSA-N 1 0 269.348 2.279 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@@H]2CCCN(C)C2=O)cc1Cl ZINC000825331724 635618451 /nfs/dbraw/zinc/61/84/51/635618451.db2.gz RHNIBEPUXRZRMJ-GFCCVEGCSA-N 1 0 282.771 2.064 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCNc2cnccn2)cc1Cl ZINC000825337055 635620169 /nfs/dbraw/zinc/62/01/69/635620169.db2.gz HGDZANVTUAKCMH-UHFFFAOYSA-N 1 0 292.770 2.346 20 10 CECDRO C[N@H+](CC(=O)N1Cc2cccc(O)c2C1)CC(C)(C)C ZINC000825356024 635624759 /nfs/dbraw/zinc/62/47/59/635624759.db2.gz HEAGUBTZMRASSR-UHFFFAOYSA-N 1 0 276.380 2.212 20 10 CECDRO COc1ccc(C[NH2+]Cc2nccn2C(C)C)c(O)c1 ZINC000825753701 635706860 /nfs/dbraw/zinc/70/68/60/635706860.db2.gz UMARFPSOHZIFNM-UHFFFAOYSA-N 1 0 275.352 2.468 20 10 CECDRO Cc1cc(O)c(CN2CC[C@H]([NH+](C)C)C2)cc1Cl ZINC000825916062 635731355 /nfs/dbraw/zinc/73/13/55/635731355.db2.gz IPXOOLZTKUZBNP-LBPRGKRZSA-N 1 0 268.788 2.490 20 10 CECDRO Cc1cc(O)c(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1Cl ZINC000825968820 635740052 /nfs/dbraw/zinc/74/00/52/635740052.db2.gz ZFHAINPOWDPWPP-BXUZGUMPSA-N 1 0 280.799 2.490 20 10 CECDRO CCN(CC)c1ccc(CN(C)C(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000826020025 635747145 /nfs/dbraw/zinc/74/71/45/635747145.db2.gz NXIDUDDCDOMRQQ-MRXNPFEDSA-N 1 0 291.439 2.475 20 10 CECDRO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c1O ZINC000826889209 635871831 /nfs/dbraw/zinc/87/18/31/635871831.db2.gz RTFXOTZRKOAFJS-ZYHUDNBSSA-N 1 0 258.325 2.088 20 10 CECDRO CO[C@]1(CO)CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000826952801 636170564 /nfs/dbraw/zinc/17/05/64/636170564.db2.gz TTYZTMFYNDSSSK-CQSZACIVSA-N 1 0 285.771 2.019 20 10 CECDRO [NH3+]CC1(CC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000827008448 636187687 /nfs/dbraw/zinc/18/76/87/636187687.db2.gz OUUYKLBNADSVBM-UHFFFAOYSA-N 1 0 287.407 2.032 20 10 CECDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c1 ZINC000827151933 636238046 /nfs/dbraw/zinc/23/80/46/636238046.db2.gz NJOQWTAJGKUOSJ-INIZCTEOSA-N 1 0 277.364 2.138 20 10 CECDRO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@H](C)[C@H]1O ZINC000827152368 636239752 /nfs/dbraw/zinc/23/97/52/636239752.db2.gz SRARPGWYUVENPS-ATCWAGBWSA-N 1 0 280.387 2.340 20 10 CECDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000827205402 636256466 /nfs/dbraw/zinc/25/64/66/636256466.db2.gz MINDJSGTBYRCKT-XJKSGUPXSA-N 1 0 276.380 2.258 20 10 CECDRO CCc1cccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c1O ZINC000827283050 636279803 /nfs/dbraw/zinc/27/98/03/636279803.db2.gz OTFLNVLFVNPMRN-GOEBONIOSA-N 1 0 261.365 2.423 20 10 CECDRO C[C@H](O)CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000827441944 636320736 /nfs/dbraw/zinc/32/07/36/636320736.db2.gz GQLQTKRJCKEBDB-ZDUSSCGKSA-N 1 0 262.397 2.488 20 10 CECDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2O)C1 ZINC000827501366 636338555 /nfs/dbraw/zinc/33/85/55/636338555.db2.gz WIYRNAZWYPOEHH-WVSHTKLVSA-N 1 0 283.755 2.395 20 10 CECDRO COc1cc(O)c(C[NH2+]CC2CCC(O)CC2)cc1OC ZINC000827516199 636342214 /nfs/dbraw/zinc/34/22/14/636342214.db2.gz XSYQLXHNAWFTLX-UHFFFAOYSA-N 1 0 295.379 2.050 20 10 CECDRO C[C@@H](O)C1([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000827586598 636360264 /nfs/dbraw/zinc/36/02/64/636360264.db2.gz ZGDIRZKMUUAVIL-MUBLQREKSA-N 1 0 260.381 2.269 20 10 CECDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccccc1O ZINC000828015776 636487087 /nfs/dbraw/zinc/48/70/87/636487087.db2.gz MPLCFSFCLHDDLU-KBPBESRZSA-N 1 0 276.380 2.306 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)CCCCCC[NH3+])c1 ZINC000828667451 636651115 /nfs/dbraw/zinc/65/11/15/636651115.db2.gz PYTNOYNHLLDDBY-LBPRGKRZSA-N 1 0 294.395 2.487 20 10 CECDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000829528620 636874808 /nfs/dbraw/zinc/87/48/08/636874808.db2.gz UFACECIGFJDNMQ-QWRGUYRKSA-N 1 0 299.465 2.130 20 10 CECDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000831150169 637239662 /nfs/dbraw/zinc/23/96/62/637239662.db2.gz HDADPTWZZRHCNC-XQQFMLRXSA-N 1 0 292.427 2.239 20 10 CECDRO C[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccc(N(C)C)cc1 ZINC000831150167 637239969 /nfs/dbraw/zinc/23/99/69/637239969.db2.gz HDADPTWZZRHCNC-RWMBFGLXSA-N 1 0 292.427 2.239 20 10 CECDRO Cc1cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)ccc1N(C)C ZINC000831181533 637247190 /nfs/dbraw/zinc/24/71/90/637247190.db2.gz OLHKVMTWBAZERE-OAHLLOKOSA-N 1 0 284.350 2.263 20 10 CECDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCc2ccccc21 ZINC000876547673 650318906 /nfs/dbraw/zinc/31/89/06/650318906.db2.gz GMMASCGZASPCIN-MEJMFZKBSA-N 1 0 256.349 2.132 20 10 CECDRO Cc1cccc(O)c1C[N@H+](C)CC(=O)NC(C)(C)C ZINC000876548390 650319692 /nfs/dbraw/zinc/31/96/92/650319692.db2.gz FLMDZVRQUBQXDG-UHFFFAOYSA-N 1 0 264.369 2.047 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C)CCC2)cc1 ZINC000832265909 637528898 /nfs/dbraw/zinc/52/88/98/637528898.db2.gz BGZZNRSYDXDMHN-AWEZNQCLSA-N 1 0 275.396 2.059 20 10 CECDRO [O-]c1c(F)cccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000841089348 637710116 /nfs/dbraw/zinc/71/01/16/637710116.db2.gz LSVCGJRMGSKCHG-LBPRGKRZSA-N 1 0 264.344 2.296 20 10 CECDRO Cc1ccc2c(c1)N(C(=O)/C=C/[C@@H]1CCC[NH2+]C1)CC2 ZINC000876630880 650367406 /nfs/dbraw/zinc/36/74/06/650367406.db2.gz MXMWCDIHKAVJRK-DYLGSBMWSA-N 1 0 270.376 2.440 20 10 CECDRO COc1ccc2c(c1)CCN2C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876630792 650367505 /nfs/dbraw/zinc/36/75/05/650367505.db2.gz KUTYWPAGVHMOLO-WXJAXGNASA-N 1 0 286.375 2.140 20 10 CECDRO COC1([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)CCOCC1 ZINC000834555531 637864830 /nfs/dbraw/zinc/86/48/30/637864830.db2.gz ZOTDJFJGLIWYRT-CYBMUJFWSA-N 1 0 291.391 2.295 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+]CCOC[C@H]1CCCO1)CC2 ZINC000834588332 637883133 /nfs/dbraw/zinc/88/31/33/637883133.db2.gz AXOJEIMKPIMJRZ-KGLIPLIRSA-N 1 0 277.364 2.165 20 10 CECDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCc3nc[nH]c3C1)CC2 ZINC000834808232 637956783 /nfs/dbraw/zinc/95/67/83/637956783.db2.gz YPFPJXSCJCUKFI-AAEUAGOBSA-N 1 0 269.348 2.250 20 10 CECDRO COCC(COC)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000834894081 637980258 /nfs/dbraw/zinc/98/02/58/637980258.db2.gz YYJMFGCWXPDMHJ-BXKDBHETSA-N 1 0 283.343 2.331 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1ccccc1O ZINC000834914460 637987061 /nfs/dbraw/zinc/98/70/61/637987061.db2.gz MYJZJDUSCFAFFX-SCRDCRAPSA-N 1 0 274.364 2.196 20 10 CECDRO COCC[NH+](C/C=C/c1ccc(N(C)C)cc1)CCOC ZINC000835024967 638029074 /nfs/dbraw/zinc/02/90/74/638029074.db2.gz FCSSZKYCXHYDGU-AATRIKPKSA-N 1 0 292.423 2.361 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CC[NH2+]C(C)(C)C2)cc1 ZINC000835024891 638029779 /nfs/dbraw/zinc/02/97/79/638029779.db2.gz ALWIYYTUAMRMLF-AATRIKPKSA-N 1 0 273.424 2.450 20 10 CECDRO CN(C)c1ccc(/C=C/C[NH2+]CCn2cccn2)cc1 ZINC000835035478 638032899 /nfs/dbraw/zinc/03/28/99/638032899.db2.gz JDKGOYMRFAIKIE-HWKANZROSA-N 1 0 270.380 2.252 20 10 CECDRO CC(C)[C@@H](O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835039785 638033953 /nfs/dbraw/zinc/03/39/53/638033953.db2.gz LMCXQXREDIOFEL-JFDDCEBESA-N 1 0 262.397 2.372 20 10 CECDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)CO)cc1 ZINC000835040462 638034239 /nfs/dbraw/zinc/03/42/39/638034239.db2.gz CTZOVCCZYUQUSM-WAYWQWQTSA-N 1 0 262.397 2.374 20 10 CECDRO C[C@H](C[S@](C)=O)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835047271 638037868 /nfs/dbraw/zinc/03/78/68/638037868.db2.gz FBHKTHQIYNADRF-KLVXCFKBSA-N 1 0 294.464 2.465 20 10 CECDRO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1 ZINC000835053109 638040850 /nfs/dbraw/zinc/04/08/50/638040850.db2.gz BCQIUEOFUJYESF-QDLOVBKTSA-N 1 0 296.361 2.468 20 10 CECDRO CN(C)c1ccc(/C=C/CN2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000835057053 638042029 /nfs/dbraw/zinc/04/20/29/638042029.db2.gz XTSHHAKRGKWEFO-NCWIEVAOSA-N 1 0 285.435 2.402 20 10 CECDRO COC[C@H]1CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835056952 638042390 /nfs/dbraw/zinc/04/23/90/638042390.db2.gz WYXWJDHLQZSSKA-DWTRPJMMSA-N 1 0 260.381 2.487 20 10 CECDRO COc1ccc(C[NH2+]CCc2cnc(C)cn2)cc1C ZINC000835062959 638044251 /nfs/dbraw/zinc/04/42/51/638044251.db2.gz GZGJIDNYUMVVBN-UHFFFAOYSA-N 1 0 271.364 2.434 20 10 CECDRO O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2O)C[C@@H]2CCCCN12 ZINC000835074285 638048488 /nfs/dbraw/zinc/04/84/88/638048488.db2.gz RIRYXUHCRIWKOR-QWHCGFSZSA-N 1 0 294.782 2.289 20 10 CECDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC1C[NH2+]C1 ZINC000876873299 650467155 /nfs/dbraw/zinc/46/71/55/650467155.db2.gz BUTIJQMQUHLSDI-UHFFFAOYSA-N 1 0 289.423 2.101 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]([NH3+])CCC(C)C)c1 ZINC000876878734 650469617 /nfs/dbraw/zinc/46/96/17/650469617.db2.gz JTGSRCXDJOOZKG-FZMZJTMJSA-N 1 0 294.395 2.342 20 10 CECDRO Cc1nn(C)c(C)c1CC[NH2+]Cc1ccc(C)cc1O ZINC000876906779 650481600 /nfs/dbraw/zinc/48/16/00/650481600.db2.gz HWEBLHPDWVKDTB-UHFFFAOYSA-N 1 0 273.380 2.383 20 10 CECDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000876918965 650486162 /nfs/dbraw/zinc/48/61/62/650486162.db2.gz PVTOUCZBNHFZGH-AWEZNQCLSA-N 1 0 287.359 2.230 20 10 CECDRO COc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1C ZINC000044686972 639350276 /nfs/dbraw/zinc/35/02/76/639350276.db2.gz DJEOMFAWAYRWFM-CQSZACIVSA-N 1 0 260.381 2.330 20 10 CECDRO CC[NH+](CC)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000057550222 639451453 /nfs/dbraw/zinc/45/14/53/639451453.db2.gz SPVCZACCUQEDCY-UHFFFAOYSA-N 1 0 289.423 2.027 20 10 CECDRO Cc1cc(O)c(C[N@H+](CCO)C2CC2)c(Cl)c1 ZINC000840911261 639582412 /nfs/dbraw/zinc/58/24/12/639582412.db2.gz ZOIGCYWAKWESEK-UHFFFAOYSA-N 1 0 255.745 2.311 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH+]1CCC(C)(O)CC1 ZINC000840916306 639584920 /nfs/dbraw/zinc/58/49/20/639584920.db2.gz ZIXWBOJLKJYIMA-UHFFFAOYSA-N 1 0 262.397 2.408 20 10 CECDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840922097 639586554 /nfs/dbraw/zinc/58/65/54/639586554.db2.gz HZTUPCDAPUJQRC-SNVBAGLBSA-N 1 0 284.787 2.168 20 10 CECDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840928516 639589482 /nfs/dbraw/zinc/58/94/82/639589482.db2.gz XACZBYDMCPHCMY-UHFFFAOYSA-N 1 0 278.396 2.350 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CN1CCCC1=O ZINC000840929960 639589495 /nfs/dbraw/zinc/58/94/95/639589495.db2.gz RNZNHSZUAVQBCO-AWEZNQCLSA-N 1 0 289.423 2.162 20 10 CECDRO CN1CCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000227440364 639590705 /nfs/dbraw/zinc/59/07/05/639590705.db2.gz IZJBHNMCOACHHM-GFCCVEGCSA-N 1 0 299.212 2.339 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]CCNC(=O)C(C)(C)C ZINC000840934927 639591005 /nfs/dbraw/zinc/59/10/05/639591005.db2.gz ZSYZZGCUNWKOLK-UHFFFAOYSA-N 1 0 291.439 2.313 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CCO)C1CC1 ZINC000840934885 639591188 /nfs/dbraw/zinc/59/11/88/639591188.db2.gz XIYGFKVIKBPNQX-INIZCTEOSA-N 1 0 262.397 2.312 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CO)CC(F)(F)F ZINC000840938038 639592355 /nfs/dbraw/zinc/59/23/55/639592355.db2.gz YUUYPJPARQHVBU-LBPRGKRZSA-N 1 0 290.329 2.464 20 10 CECDRO COCC[C@]1([NH2+]Cc2ccc(N(C)C)cc2C)CCOC1 ZINC000840940871 639593717 /nfs/dbraw/zinc/59/37/17/639593717.db2.gz MYNZDGYPPHLYKY-KRWDZBQOSA-N 1 0 292.423 2.346 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCc2ccnn2C)c(Cl)c1 ZINC000840940290 639594604 /nfs/dbraw/zinc/59/46/04/639594604.db2.gz YKYYVNONTJBHPP-UHFFFAOYSA-N 1 0 279.771 2.420 20 10 CECDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000840942205 639595299 /nfs/dbraw/zinc/59/52/99/639595299.db2.gz VMQDFZVGCXSLPN-XJKSGUPXSA-N 1 0 262.397 2.312 20 10 CECDRO COc1cccc(C[NH2+]CC2CCC(O)CC2)c1O ZINC000227630682 639598375 /nfs/dbraw/zinc/59/83/75/639598375.db2.gz NVMQMWDLZLXBQP-UHFFFAOYSA-N 1 0 265.353 2.042 20 10 CECDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c(Cl)c1 ZINC000840957142 639601532 /nfs/dbraw/zinc/60/15/32/639601532.db2.gz GBDMVURMVGTDFC-LLVKDONJSA-N 1 0 296.798 2.264 20 10 CECDRO [NH3+]CCc1ccc(C[NH2+]Cc2cccc(F)c2[O-])cc1 ZINC000841032594 639625243 /nfs/dbraw/zinc/62/52/43/639625243.db2.gz UIHRIIHEBPYMJR-UHFFFAOYSA-N 1 0 274.339 2.322 20 10 CECDRO [O-]c1c(Br)cccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841036405 639628050 /nfs/dbraw/zinc/62/80/50/639628050.db2.gz MTVKMIAQNAVLEA-JTQLQIEISA-N 1 0 299.212 2.244 20 10 CECDRO CN(C)c1ccc([C@H](N)C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000841046260 639630745 /nfs/dbraw/zinc/63/07/45/639630745.db2.gz YQKPPYSBDZGIAR-SWLSCSKDSA-N 1 0 279.453 2.095 20 10 CECDRO COc1cc(Cl)cc(C[NH2+]CC2([NH3+])CCC2)c1O ZINC000841048382 639632280 /nfs/dbraw/zinc/63/22/80/639632280.db2.gz IFTMCWZMYHDWGO-UHFFFAOYSA-N 1 0 270.760 2.025 20 10 CECDRO [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000841058865 639636546 /nfs/dbraw/zinc/63/65/46/639636546.db2.gz WPIPDIFDATYRJN-NSHDSACASA-N 1 0 254.761 2.277 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH2+]1 ZINC000841060719 639636576 /nfs/dbraw/zinc/63/65/76/639636576.db2.gz BLOIJMGDTSCYFY-LDYMZIIASA-N 1 0 299.758 2.184 20 10 CECDRO Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000841077074 639647532 /nfs/dbraw/zinc/64/75/32/639647532.db2.gz YDHXWYIZBWMPLZ-RKDXNWHRSA-N 1 0 287.201 2.288 20 10 CECDRO CCOCc1cc(CN[C@H](C)[C@@H](C)[NH3+])ccc1OC ZINC000841079557 639648827 /nfs/dbraw/zinc/64/88/27/639648827.db2.gz KUXUJAQRNYQZTG-VXGBXAGGSA-N 1 0 266.385 2.057 20 10 CECDRO [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000841084653 639650255 /nfs/dbraw/zinc/65/02/55/639650255.db2.gz MNQSMHHSVMEDJH-KWQFWETISA-N 1 0 272.751 2.402 20 10 CECDRO [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000841085224 639650869 /nfs/dbraw/zinc/65/08/69/639650869.db2.gz XBVLPBPKDYZOFL-RKDXNWHRSA-N 1 0 272.751 2.402 20 10 CECDRO CC1(C)[NH2+]CC[C@@H]1NCc1cc(Cl)ccc1O ZINC000841085657 639651755 /nfs/dbraw/zinc/65/17/55/639651755.db2.gz JHRAAZWPUDGIGW-LBPRGKRZSA-N 1 0 254.761 2.276 20 10 CECDRO CN(C)c1ccc(CN[C@@H](C[NH3+])C2CCCC2)cc1F ZINC000841088401 639652110 /nfs/dbraw/zinc/65/21/10/639652110.db2.gz VOAKGEIMBIVIIO-HNNXBMFYSA-N 1 0 279.403 2.499 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)c(O)c1 ZINC000228931837 639665886 /nfs/dbraw/zinc/66/58/86/639665886.db2.gz XLHCPRRIQHBUKM-VXGBXAGGSA-N 1 0 264.369 2.264 20 10 CECDRO COc1cc(Cl)cc(CN2CC[C@H]([NH3+])C[C@@H]2C)c1O ZINC000229104730 639676521 /nfs/dbraw/zinc/67/65/21/639676521.db2.gz LZNIGIMYPJFGHQ-CABZTGNLSA-N 1 0 284.787 2.366 20 10 CECDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(N)cc2)C[C@H]1C ZINC000841297846 639731788 /nfs/dbraw/zinc/73/17/88/639731788.db2.gz IYEHVIURNQXSRK-NEPJUHHUSA-N 1 0 276.384 2.215 20 10 CECDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(N)cc2)C1 ZINC000841299746 639731860 /nfs/dbraw/zinc/73/18/60/639731860.db2.gz JLMLYKZHBBTUQL-CYBMUJFWSA-N 1 0 290.411 2.368 20 10 CECDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc(N)cc1 ZINC000841299988 639732636 /nfs/dbraw/zinc/73/26/36/639732636.db2.gz PSDACFVRJOAKHV-SWLSCSKDSA-N 1 0 288.395 2.359 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2COC(C)(C)O2)c1 ZINC000230206465 639746747 /nfs/dbraw/zinc/74/67/47/639746747.db2.gz RBGIZOVBYZLWAR-JQWIXIFHSA-N 1 0 281.352 2.203 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2CCOC2)c1 ZINC000230672491 639778643 /nfs/dbraw/zinc/77/86/43/639778643.db2.gz AWKNSDHXVJRQOJ-VXGBXAGGSA-N 1 0 265.353 2.478 20 10 CECDRO Cn1nccc1CC[NH2+]Cc1cc(Cl)ccc1O ZINC000231033257 639822181 /nfs/dbraw/zinc/82/21/81/639822181.db2.gz QDQYSGMYGYGSTA-UHFFFAOYSA-N 1 0 265.744 2.111 20 10 CECDRO CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841748641 639857394 /nfs/dbraw/zinc/85/73/94/639857394.db2.gz XWUJVBCKGYRMFQ-VIFPVBQESA-N 1 0 291.800 2.131 20 10 CECDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841753908 639858713 /nfs/dbraw/zinc/85/87/13/639858713.db2.gz OJGAGXNEKLHNTM-KSRUKNBBSA-N 1 0 275.801 2.463 20 10 CECDRO COc1cc(C[NH2+]Cc2ccc(C)cc2O)ccn1 ZINC000877015482 650531966 /nfs/dbraw/zinc/53/19/66/650531966.db2.gz RFQXRWKPNWWNJQ-UHFFFAOYSA-N 1 0 258.321 2.394 20 10 CECDRO C[NH+](C)CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000173668673 639869899 /nfs/dbraw/zinc/86/98/99/639869899.db2.gz YVRSVEHQRBDUEX-UHFFFAOYSA-N 1 0 288.347 2.076 20 10 CECDRO CN(Cc1ccccc1O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000841988938 639916557 /nfs/dbraw/zinc/91/65/57/639916557.db2.gz VXFFAMBUYBLIRM-AWEZNQCLSA-N 1 0 291.395 2.051 20 10 CECDRO CCCN(CCC)c1ccc(C[NH2+][C@H](CO)[C@@H](C)O)cc1 ZINC000842220925 639978194 /nfs/dbraw/zinc/97/81/94/639978194.db2.gz KEVBYBJUHOVICM-RHSMWYFYSA-N 1 0 294.439 2.144 20 10 CECDRO CCOc1cccc(C[N@@H+]2CCN(C)C(C)(C)C2)c1O ZINC000211467421 640140427 /nfs/dbraw/zinc/14/04/27/640140427.db2.gz GLEXVLUIPZTXDZ-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO Cc1ccc(C[NH2+]CCCOC[C@@H]2CCOC2)c(O)c1 ZINC000877060479 650554499 /nfs/dbraw/zinc/55/44/99/650554499.db2.gz YOBXUJCCBQCTRZ-AWEZNQCLSA-N 1 0 279.380 2.233 20 10 CECDRO CCN(CC)c1ccc(C[NH2+][C@@H]2COC[C@H]2OC)cc1 ZINC000842752719 640169353 /nfs/dbraw/zinc/16/93/53/640169353.db2.gz SBPGNTXZLMMKTN-HZPDHXFCSA-N 1 0 278.396 2.036 20 10 CECDRO COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000313168037 640188108 /nfs/dbraw/zinc/18/81/08/640188108.db2.gz IUEUIXYZUZUHMK-RYUDHWBXSA-N 1 0 283.368 2.103 20 10 CECDRO C[C@@H]([NH2+]CCc1cn(C)cn1)c1cc(F)ccc1O ZINC000313251096 640194625 /nfs/dbraw/zinc/19/46/25/640194625.db2.gz HZMACTUTAASJFA-SNVBAGLBSA-N 1 0 263.316 2.158 20 10 CECDRO Cc1cc(Br)cc(CN2CCC[C@@H]([NH3+])C2)c1O ZINC000843043726 640249534 /nfs/dbraw/zinc/24/95/34/640249534.db2.gz FKMPKBJVXROJCH-GFCCVEGCSA-N 1 0 299.212 2.386 20 10 CECDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cccc(F)c1O ZINC000843045892 640251426 /nfs/dbraw/zinc/25/14/26/640251426.db2.gz LMRPJZBWUYTYPX-MFKMUULPSA-N 1 0 252.333 2.233 20 10 CECDRO Cc1cc(Br)cc(CN2CC[NH2+]C[C@@H]2C)c1O ZINC000843047768 640252083 /nfs/dbraw/zinc/25/20/83/640252083.db2.gz SWVWGEMDHWZDDJ-JTQLQIEISA-N 1 0 299.212 2.257 20 10 CECDRO C[C@H]([NH3+])C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000843048636 640253827 /nfs/dbraw/zinc/25/38/27/640253827.db2.gz MLXGEJNUPFEBLJ-JTQLQIEISA-N 1 0 252.333 2.091 20 10 CECDRO CCCN(Cc1cccc(F)c1O)[C@H]1CC[NH2+]C1 ZINC000843051625 640254252 /nfs/dbraw/zinc/25/42/52/640254252.db2.gz AHIIHKCSQYMGTG-LBPRGKRZSA-N 1 0 252.333 2.105 20 10 CECDRO [NH3+][C@@H]1CN(Cc2cccc(F)c2O)C[C@H]1c1ccccc1 ZINC000843116575 640287304 /nfs/dbraw/zinc/28/73/04/640287304.db2.gz ZYUJVRRIEQWYAO-GOEBONIOSA-N 1 0 286.350 2.458 20 10 CECDRO C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)[C@H](C)C[NH2+]1 ZINC000843119734 640288089 /nfs/dbraw/zinc/28/80/89/640288089.db2.gz GDAPQARGVFIRII-XEVLESSRSA-N 1 0 273.424 2.448 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843127709 640294446 /nfs/dbraw/zinc/29/44/46/640294446.db2.gz SIYWXYIARAGREP-GXFFZTMASA-N 1 0 266.772 2.229 20 10 CECDRO [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000843127711 640294719 /nfs/dbraw/zinc/29/47/19/640294719.db2.gz SIYWXYIARAGREP-MFKMUULPSA-N 1 0 266.772 2.229 20 10 CECDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)c(O)c1 ZINC000877095510 650569787 /nfs/dbraw/zinc/56/97/87/650569787.db2.gz ZXBOYBBPAKJSCX-OCCSQVGLSA-N 1 0 260.381 2.415 20 10 CECDRO [NH3+]CCCc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000843290288 640377593 /nfs/dbraw/zinc/37/75/93/640377593.db2.gz PIHFSDZOCRZTBD-UHFFFAOYSA-N 1 0 250.323 2.113 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCCC[C@H]2[C@@H](C)[NH3+])c1O ZINC000843346096 640397350 /nfs/dbraw/zinc/39/73/50/640397350.db2.gz LSVAJBNEGJGCIP-BMIGLBTASA-N 1 0 294.370 2.436 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN(C)[C@H](C[NH3+])C2CC2)c1O ZINC000843387238 640412991 /nfs/dbraw/zinc/41/29/91/640412991.db2.gz QUJITRCPLRKMDD-CQSZACIVSA-N 1 0 296.798 2.417 20 10 CECDRO CC1(C(N)=O)C[NH+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000843415523 640420791 /nfs/dbraw/zinc/42/07/91/640420791.db2.gz ICNGMRYUAZAAEN-UHFFFAOYSA-N 1 0 296.370 2.366 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000843417541 640421651 /nfs/dbraw/zinc/42/16/51/640421651.db2.gz HOZCWMXPRBGNFJ-OAHLLOKOSA-N 1 0 295.404 2.109 20 10 CECDRO COc1ccc(O)c([C@H](C)NC(=O)C2([NH3+])CCCCC2)c1 ZINC000843489075 640441345 /nfs/dbraw/zinc/44/13/45/640441345.db2.gz CSHWIMFJQPQQOD-NSHDSACASA-N 1 0 292.379 2.240 20 10 CECDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000843489275 640442316 /nfs/dbraw/zinc/44/23/16/640442316.db2.gz LWAVBYHJUWWTMO-LLVKDONJSA-N 1 0 294.395 2.343 20 10 CECDRO C[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC[NH2+]1 ZINC000844173317 640624482 /nfs/dbraw/zinc/62/44/82/640624482.db2.gz UKOLCYRVLNPFDH-KRWDZBQOSA-N 1 0 287.407 2.045 20 10 CECDRO COc1ccc(N(C)CC[N@H+](C)CC2(C)COC2)cc1 ZINC000844402497 640709222 /nfs/dbraw/zinc/70/92/22/640709222.db2.gz ZWFTZNVVMZQVCG-UHFFFAOYSA-N 1 0 278.396 2.100 20 10 CECDRO CCCN(Cc1ccccc1O)C(=O)c1ccc(C[NH3+])o1 ZINC000154143455 640813231 /nfs/dbraw/zinc/81/32/31/640813231.db2.gz RJXZUHSVQXPFQT-UHFFFAOYSA-N 1 0 288.347 2.496 20 10 CECDRO C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000844922928 640867517 /nfs/dbraw/zinc/86/75/17/640867517.db2.gz DFCFEGGCQWGVSA-NSHDSACASA-N 1 0 293.367 2.341 20 10 CECDRO CCC[N@H+](CC(=O)OC)Cc1c(O)ccc2ccncc21 ZINC000918176174 640947497 /nfs/dbraw/zinc/94/74/97/640947497.db2.gz QOMRRMSSWSUADY-UHFFFAOYSA-N 1 0 288.347 2.325 20 10 CECDRO CCn1nnc(C)c1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000845971793 641141093 /nfs/dbraw/zinc/14/10/93/641141093.db2.gz NCBJRMHOYQJPLD-SNVBAGLBSA-N 1 0 290.367 2.171 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cncnc2)c1 ZINC000845973258 641142109 /nfs/dbraw/zinc/14/21/09/641142109.db2.gz WXFHVHLRNVIOLD-JTQLQIEISA-N 1 0 259.309 2.042 20 10 CECDRO Oc1ccc(F)cc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000846057163 641165843 /nfs/dbraw/zinc/16/58/43/641165843.db2.gz UKAVGAPUAGUFKU-UHFFFAOYSA-N 1 0 290.342 2.035 20 10 CECDRO CN(C)c1ncc(C[NH2+]Cc2cc(Cl)ccc2O)cn1 ZINC000846058488 641166230 /nfs/dbraw/zinc/16/62/30/641166230.db2.gz PXYJMCJMNVSSGA-UHFFFAOYSA-N 1 0 292.770 2.191 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCCO2)c1O ZINC000846138933 641197573 /nfs/dbraw/zinc/19/75/73/641197573.db2.gz XZDBSUMIARXOAK-GHMZBOCLSA-N 1 0 251.326 2.230 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCCOC2)c1O ZINC000846144423 641200238 /nfs/dbraw/zinc/20/02/38/641200238.db2.gz JECYXKNDOWDSTN-WDEREUQCSA-N 1 0 251.326 2.230 20 10 CECDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)C(C)C)c1O ZINC000846145206 641201700 /nfs/dbraw/zinc/20/17/00/641201700.db2.gz NFAHWWSKNLDSKA-ZYHUDNBSSA-N 1 0 253.342 2.068 20 10 CECDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)c1O ZINC000846165574 641209508 /nfs/dbraw/zinc/20/95/08/641209508.db2.gz VVKAFHAGAADCTI-TVYUQYBPSA-N 1 0 265.353 2.211 20 10 CECDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)CCCO)c1O ZINC000846170559 641211469 /nfs/dbraw/zinc/21/14/69/641211469.db2.gz OTKZQMGRITVHJP-RYUDHWBXSA-N 1 0 267.369 2.460 20 10 CECDRO C[C@@H]1C[C@H]([NH2+]CC[C@]2(O)CCOC2)c2c1c(F)ccc2O ZINC000846191237 641217989 /nfs/dbraw/zinc/21/79/89/641217989.db2.gz AZCXFLXMQZNNOY-XAGWURHQSA-N 1 0 295.354 2.211 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+]CC[C@]2(O)CCOC2)c(O)c1C ZINC000846192353 641218767 /nfs/dbraw/zinc/21/87/67/641218767.db2.gz HQOFQGRQMWLWEW-CJNGLKHVSA-N 1 0 279.380 2.201 20 10 CECDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@]2(O)CCOC2)c(O)c1 ZINC000846192319 641219462 /nfs/dbraw/zinc/21/94/62/641219462.db2.gz HABNSNMPKUNSAK-CZUORRHYSA-N 1 0 279.380 2.201 20 10 CECDRO C[C@H]1C[N@H+](Cc2ccccc2O)CCN1CC(F)(F)F ZINC000179587705 641366472 /nfs/dbraw/zinc/36/64/72/641366472.db2.gz SJBJNBBVTWKXBX-NSHDSACASA-N 1 0 288.313 2.461 20 10 CECDRO CCC[C@](C)(CO)[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000182212624 641633814 /nfs/dbraw/zinc/63/38/14/641633814.db2.gz JLOOQVGIKWIQNH-OAHLLOKOSA-N 1 0 283.368 2.050 20 10 CECDRO C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccccc1O ZINC000183525356 641760429 /nfs/dbraw/zinc/76/04/29/641760429.db2.gz YSWSEWDWNTZPGL-UONOGXRCSA-N 1 0 279.380 2.486 20 10 CECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCc2ccnn2C)c1 ZINC000184014786 641827552 /nfs/dbraw/zinc/82/75/52/641827552.db2.gz DLHKKQYAYKSPAD-LLVKDONJSA-N 1 0 275.352 2.028 20 10 CECDRO COc1ccc(C[NH2+]Cc2ccc(CO)cc2)c(O)c1 ZINC000227464684 641874171 /nfs/dbraw/zinc/87/41/71/641874171.db2.gz BZDJQNJLNYICBR-UHFFFAOYSA-N 1 0 273.332 2.183 20 10 CECDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)COCC(C)C)c1 ZINC000185116935 641938178 /nfs/dbraw/zinc/93/81/78/641938178.db2.gz JRIJOKSETXZEFT-UONOGXRCSA-N 1 0 281.396 2.385 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)c(O)c1 ZINC000186048473 642060180 /nfs/dbraw/zinc/06/01/80/642060180.db2.gz OURVUZKTSGGDDQ-TZMCWYRMSA-N 1 0 276.380 2.361 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(OC)CCOCC2)c1 ZINC000186146892 642073006 /nfs/dbraw/zinc/07/30/06/642073006.db2.gz DGUSPZHTYAFBMO-LBPRGKRZSA-N 1 0 295.379 2.247 20 10 CECDRO Cc1cc(Cl)cc(CN[C@H](C[NH3+])C(F)(F)F)c1O ZINC000848714962 642109250 /nfs/dbraw/zinc/10/92/50/642109250.db2.gz YOISDGVNJGDNAJ-SECBINFHSA-N 1 0 282.693 2.333 20 10 CECDRO CCc1cccc(C[N@H+](C)CC(=O)NC(C)(C)C)c1O ZINC000848879736 642167099 /nfs/dbraw/zinc/16/70/99/642167099.db2.gz ASZNAOVGOQPJTH-UHFFFAOYSA-N 1 0 278.396 2.301 20 10 CECDRO CN(C)c1ccc(C[NH2+]CCOCC(F)F)cc1F ZINC000788073846 642175321 /nfs/dbraw/zinc/17/53/21/642175321.db2.gz ABXUWRAHXYLGPO-UHFFFAOYSA-N 1 0 276.302 2.263 20 10 CECDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)c(O)c1 ZINC000877457831 650727982 /nfs/dbraw/zinc/72/79/82/650727982.db2.gz DBNUVLZAIZQLDD-UHFFFAOYSA-N 1 0 288.391 2.145 20 10 CECDRO CCc1cccc(C[NH2+][C@H](C)COCCOC)c1O ZINC000848898725 642178423 /nfs/dbraw/zinc/17/84/23/642178423.db2.gz XQZRYLQNUJFHRM-GFCCVEGCSA-N 1 0 267.369 2.096 20 10 CECDRO CCc1cccc(C[NH2+]CCN2CCC(OC)CC2)c1O ZINC000848900621 642178972 /nfs/dbraw/zinc/17/89/72/642178972.db2.gz IFWUECIVHPJLKM-UHFFFAOYSA-N 1 0 292.423 2.155 20 10 CECDRO CCc1cccc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)c1O ZINC000848904438 642181267 /nfs/dbraw/zinc/18/12/67/642181267.db2.gz UBYXPMVYOVFWEM-CHWSQXEVSA-N 1 0 262.397 2.479 20 10 CECDRO CCc1cccc(C[N@H+](C)CC(C)(C)CO)c1O ZINC000848913697 642187529 /nfs/dbraw/zinc/18/75/29/642187529.db2.gz BQRBACYQYHETIS-UHFFFAOYSA-N 1 0 251.370 2.405 20 10 CECDRO CCc1cccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1O ZINC000848916851 642191101 /nfs/dbraw/zinc/19/11/01/642191101.db2.gz XVXLSALLPHDBKA-CQSZACIVSA-N 1 0 271.307 2.157 20 10 CECDRO COc1ccc(CNC(=[NH2+])NCCC(C)C)c(O)c1 ZINC000849024981 642238494 /nfs/dbraw/zinc/23/84/94/642238494.db2.gz IBBQOMMCTOEGML-UHFFFAOYSA-N 1 0 265.357 2.061 20 10 CECDRO COc1ccc(CNC(=[NH2+])NC2CCCCC2)c(O)c1 ZINC000849025038 642238559 /nfs/dbraw/zinc/23/85/59/642238559.db2.gz KKFMPTYGEVZCEL-UHFFFAOYSA-N 1 0 277.368 2.347 20 10 CECDRO CCCNC(=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921574454 642249063 /nfs/dbraw/zinc/24/90/63/642249063.db2.gz WOLQJHQOYFLYPC-UHFFFAOYSA-N 1 0 276.380 2.018 20 10 CECDRO Cc1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c(O)c1 ZINC000877481392 650742587 /nfs/dbraw/zinc/74/25/87/650742587.db2.gz GFBKGYSZOPFMSR-UHFFFAOYSA-N 1 0 288.391 2.145 20 10 CECDRO Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c(O)c1 ZINC000877516146 650761244 /nfs/dbraw/zinc/76/12/44/650761244.db2.gz BPNDSLXQLVCEHR-HOCLYGCPSA-N 1 0 277.364 2.080 20 10 CECDRO Cc1ccc(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c(O)c1 ZINC000877516145 650761374 /nfs/dbraw/zinc/76/13/74/650761374.db2.gz BPNDSLXQLVCEHR-GOEBONIOSA-N 1 0 277.364 2.080 20 10 CECDRO NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000921766812 642595821 /nfs/dbraw/zinc/59/58/21/642595821.db2.gz VXMORWHUXZJLGT-CABCVRRESA-N 1 0 288.391 2.145 20 10 CECDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877533248 650772165 /nfs/dbraw/zinc/77/21/65/650772165.db2.gz OHGLGHNMCKRYCG-CQSZACIVSA-N 1 0 292.379 2.411 20 10 CECDRO COc1cccc(C[NH2+]CCC2CC(OC)C2)c1O ZINC000850341364 642673229 /nfs/dbraw/zinc/67/32/29/642673229.db2.gz IDEZWNGUGVFCAR-UHFFFAOYSA-N 1 0 265.353 2.306 20 10 CECDRO CO[C@H](C[NH2+]Cc1c(O)cccc1Cl)[C@H]1CCOC1 ZINC000850343763 642674556 /nfs/dbraw/zinc/67/45/56/642674556.db2.gz WNXPKAYABRKIAZ-IINYFYTJSA-N 1 0 285.771 2.187 20 10 CECDRO COC[C@H](CC[NH2+]Cc1ccc(N(C)C)c(F)c1)OC ZINC000850345997 642675319 /nfs/dbraw/zinc/67/53/19/642675319.db2.gz PDRCKMDVLIVCMJ-ZDUSSCGKSA-N 1 0 284.375 2.033 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)cc1C ZINC000850368358 642684989 /nfs/dbraw/zinc/68/49/89/642684989.db2.gz LJNDZWHQAGSGJV-JSGCOSHPSA-N 1 0 297.420 2.064 20 10 CECDRO CCOCc1cc(C[NH2+]C[C@H](O)CC)ccc1OC ZINC000850373527 642687651 /nfs/dbraw/zinc/68/76/51/642687651.db2.gz NZKAPWQYTJIISD-CQSZACIVSA-N 1 0 267.369 2.092 20 10 CECDRO COc1cccc(C[NH2+]Cc2c(C3CC3)cnn2C)c1O ZINC000850380390 642692369 /nfs/dbraw/zinc/69/23/69/642692369.db2.gz UFHFXCZZJXOHFU-UHFFFAOYSA-N 1 0 287.363 2.302 20 10 CECDRO Cc1cncc(CC[NH2+]Cc2ccc3c(c2)CCO3)n1 ZINC000850390941 642697535 /nfs/dbraw/zinc/69/75/35/642697535.db2.gz YHRYRVCQNMFLOC-UHFFFAOYSA-N 1 0 269.348 2.052 20 10 CECDRO COc1ccc(N2CC[C@@H]([NH2+][C@H]3CCOC3(C)C)C2)cc1 ZINC000850486061 642730071 /nfs/dbraw/zinc/73/00/71/642730071.db2.gz DSJNMTXGUHHJID-CJNGLKHVSA-N 1 0 290.407 2.431 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CCCO3)C2)cc1 ZINC000850489440 642730716 /nfs/dbraw/zinc/73/07/16/642730716.db2.gz UPRHFWSOJWXQLY-KEYYUXOJSA-N 1 0 290.407 2.431 20 10 CECDRO C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccccc1O ZINC000850495681 642731986 /nfs/dbraw/zinc/73/19/86/642731986.db2.gz HFRMVJJJXVXNOC-HOGDKLEQSA-N 1 0 295.326 2.354 20 10 CECDRO C[C@H]([NH2+]C/C=C\CO)c1cc(Br)ccc1O ZINC000850507859 642734799 /nfs/dbraw/zinc/73/47/99/642734799.db2.gz IJRGBSFOLWUEFH-XADBCAIWSA-N 1 0 286.169 2.354 20 10 CECDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)c1O ZINC000850513870 642735916 /nfs/dbraw/zinc/73/59/16/642735916.db2.gz HRGLCSOWSNXQGX-GHMZBOCLSA-N 1 0 265.353 2.212 20 10 CECDRO Oc1cccc2c1[C@H]([NH2+][C@H]1C[C@H](O)C13CCC3)CC2 ZINC000850547849 642749574 /nfs/dbraw/zinc/74/95/74/642749574.db2.gz XIQCTVQJGCOEFW-XBFCOCLRSA-N 1 0 259.349 2.273 20 10 CECDRO COc1cccc([C@H](C)[NH2+]CCc2cncc(C)n2)c1O ZINC000850549318 642750370 /nfs/dbraw/zinc/75/03/70/642750370.db2.gz FWRJJIZOEXYPQU-LBPRGKRZSA-N 1 0 287.363 2.393 20 10 CECDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cc2c(cc1O)CCCC2 ZINC000850578080 642756322 /nfs/dbraw/zinc/75/63/22/642756322.db2.gz GMBYVQRSUZESHF-BPNCWPANSA-N 1 0 261.365 2.445 20 10 CECDRO OC[C@@H](CC1CC1)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921935825 642794724 /nfs/dbraw/zinc/79/47/24/642794724.db2.gz VEYJFDAESKJPCG-OAHLLOKOSA-N 1 0 261.365 2.262 20 10 CECDRO Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c(O)c1 ZINC000877553602 650784168 /nfs/dbraw/zinc/78/41/68/650784168.db2.gz AUHBTSYNTCHHAL-IRXDYDNUSA-N 1 0 291.391 2.110 20 10 CECDRO Cc1ccc(C[NH+]2CCC(OC(=O)N(C)C)CC2)c(O)c1 ZINC000877552838 650784177 /nfs/dbraw/zinc/78/41/77/650784177.db2.gz UDGVSXJFPXVGLZ-UHFFFAOYSA-N 1 0 292.379 2.363 20 10 CECDRO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c(O)c1 ZINC000877561295 650790461 /nfs/dbraw/zinc/79/04/61/650790461.db2.gz DRHDOALIHDQKHV-BZUAXINKSA-N 1 0 291.391 2.062 20 10 CECDRO CN(C)C1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922190440 642947988 /nfs/dbraw/zinc/94/79/88/642947988.db2.gz KXKWEMUNVZTODS-UHFFFAOYSA-N 1 0 260.381 2.195 20 10 CECDRO Cc1ccc(C[N@@H+](C)C(C)(C)CN2CCOCC2)c(O)c1 ZINC000877593556 650805165 /nfs/dbraw/zinc/80/51/65/650805165.db2.gz VXHNNMQDUSMZOE-UHFFFAOYSA-N 1 0 292.423 2.243 20 10 CECDRO Oc1ccccc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000922579694 643139250 /nfs/dbraw/zinc/13/92/50/643139250.db2.gz JUZHLPPDIKANIT-CQSZACIVSA-N 1 0 255.321 2.423 20 10 CECDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c(O)c1 ZINC000877623012 650818642 /nfs/dbraw/zinc/81/86/42/650818642.db2.gz GVLJGIJCHPXWLG-BIENJYKASA-N 1 0 281.421 2.480 20 10 CECDRO CCOCc1cc(C[NH2+][C@H]2COC[C@H]2C)ccc1OC ZINC000922643499 643175502 /nfs/dbraw/zinc/17/55/02/643175502.db2.gz QQXBAHNJZYLDGS-DOMZBBRYSA-N 1 0 279.380 2.356 20 10 CECDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1O ZINC000877673382 650844462 /nfs/dbraw/zinc/84/44/62/650844462.db2.gz FMFAHFUYPGCSLG-HNNXBMFYSA-N 1 0 276.380 2.191 20 10 CECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCC2(C)C)cc1 ZINC000852790900 643552598 /nfs/dbraw/zinc/55/25/98/643552598.db2.gz CAIQHUJESSRHDN-CABCVRRESA-N 1 0 289.423 2.305 20 10 CECDRO CC[C@H]([NH2+]C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000852789919 643552711 /nfs/dbraw/zinc/55/27/11/643552711.db2.gz LYCCRGMFINQOOQ-HNNXBMFYSA-N 1 0 277.412 2.147 20 10 CECDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000852870196 643583716 /nfs/dbraw/zinc/58/37/16/643583716.db2.gz BNBAFIACMKWPTR-OAHLLOKOSA-N 1 0 289.423 2.065 20 10 CECDRO Cc1cccc(O)c1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000877691630 650852958 /nfs/dbraw/zinc/85/29/58/650852958.db2.gz NHTLNUNPOOHEIQ-UHFFFAOYSA-N 1 0 293.407 2.048 20 10 CECDRO COc1cc(O)c(C[NH2+][C@H]2C[C@H](SC)C2)cc1OC ZINC000877700943 650858325 /nfs/dbraw/zinc/85/83/25/650858325.db2.gz WKMSQIKEXDEFKQ-XYPYZODXSA-N 1 0 283.393 2.393 20 10 CECDRO COc1cccc(O)c1CN1CC[N@H+](C)C(C)(C)CC1 ZINC000877701539 650858794 /nfs/dbraw/zinc/85/87/94/650858794.db2.gz ZSXVZUGVKDADHN-UHFFFAOYSA-N 1 0 278.396 2.317 20 10 CECDRO COc1cccc(O)c1CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000877751020 650893582 /nfs/dbraw/zinc/89/35/82/650893582.db2.gz RGCVVZIRRPFZBG-CQSZACIVSA-N 1 0 278.396 2.173 20 10 CECDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839187809 644184008 /nfs/dbraw/zinc/18/40/08/644184008.db2.gz OWRYLMRNJKJFPY-YPMHNXCESA-N 1 0 263.337 2.012 20 10 CECDRO C[C@H]([NH2+]Cc1cnc(N(C)C)nc1)c1ccccc1O ZINC000877757027 650900273 /nfs/dbraw/zinc/90/02/73/650900273.db2.gz AGHBRNVVEIYTKJ-NSHDSACASA-N 1 0 272.352 2.099 20 10 CECDRO CCN(C)c1ccc(C[N@@H+]2CCCN(C)CC2)cc1 ZINC000839465649 644236569 /nfs/dbraw/zinc/23/65/69/644236569.db2.gz ZGFTXADGKAIVMY-UHFFFAOYSA-N 1 0 261.413 2.280 20 10 CECDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCCn2nccc21 ZINC000877779083 650907195 /nfs/dbraw/zinc/90/71/95/650907195.db2.gz YBBBYVZVWOQEMO-LBPRGKRZSA-N 1 0 261.300 2.353 20 10 CECDRO COC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)C(C)C ZINC000754386092 644366650 /nfs/dbraw/zinc/36/66/50/644366650.db2.gz UEIWGPRYVLYGJY-AWEZNQCLSA-N 1 0 283.343 2.495 20 10 CECDRO COc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C3CC3)C2)c1O ZINC000754726294 644421252 /nfs/dbraw/zinc/42/12/52/644421252.db2.gz NQSHQOHHTMYIHF-HNNXBMFYSA-N 1 0 290.407 2.378 20 10 CECDRO CC[S@@](=O)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000756578040 644671754 /nfs/dbraw/zinc/67/17/54/644671754.db2.gz VQAUDESUXOXYQY-VVVCHXIZSA-N 1 0 275.801 2.465 20 10 CECDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](O)C(C)C)c1 ZINC000756596914 644673421 /nfs/dbraw/zinc/67/34/21/644673421.db2.gz ILJCOMGYRURMTH-SMDDNHRTSA-N 1 0 267.369 2.458 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)C2=O)c(O)c1C ZINC000756639434 644676601 /nfs/dbraw/zinc/67/66/01/644676601.db2.gz YTEYZUDIKLCTKX-JSGCOSHPSA-N 1 0 276.380 2.280 20 10 CECDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C)C2=O)c(O)c1C ZINC000756639435 644676911 /nfs/dbraw/zinc/67/69/11/644676911.db2.gz YTEYZUDIKLCTKX-OCCSQVGLSA-N 1 0 276.380 2.280 20 10 CECDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c(O)c1C ZINC000756757865 644689273 /nfs/dbraw/zinc/68/92/73/644689273.db2.gz FWCCERPFHNHHBV-OFQRWUPVSA-N 1 0 292.423 2.379 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756776132 644691384 /nfs/dbraw/zinc/69/13/84/644691384.db2.gz WPRGWVYLXLGWBX-UFGOTCBOSA-N 1 0 280.343 2.097 20 10 CECDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756775458 644691680 /nfs/dbraw/zinc/69/16/80/644691680.db2.gz QPHDNDCCRQMSAI-OUCADQQQSA-N 1 0 276.380 2.266 20 10 CECDRO Cc1cc(C[NH2+]Cc2ccc(N(C)C)cc2)ncn1 ZINC000756989085 644716301 /nfs/dbraw/zinc/71/63/01/644716301.db2.gz BCRHYPSLACWZGI-UHFFFAOYSA-N 1 0 256.353 2.141 20 10 CECDRO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Cl)ccc1O ZINC000840825312 644771170 /nfs/dbraw/zinc/77/11/70/644771170.db2.gz DURUSNQEEXTTFL-VHSXEESVSA-N 1 0 282.771 2.222 20 10 CECDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1CO ZINC000857061645 644806522 /nfs/dbraw/zinc/80/65/22/644806522.db2.gz SVEUIABNSKDXOG-GHMZBOCLSA-N 1 0 269.772 2.496 20 10 CECDRO Cc1c[nH+]ccc1NCc1ccc(N2CCOCC2)cc1 ZINC000757701602 644837441 /nfs/dbraw/zinc/83/74/41/644837441.db2.gz IRMCYRAPNHXSHT-UHFFFAOYSA-N 1 0 283.375 2.261 20 10 CECDRO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1ccccc1O ZINC000757697905 644838202 /nfs/dbraw/zinc/83/82/02/644838202.db2.gz NJSDFTLFZQXYAJ-SNVBAGLBSA-N 1 0 251.326 2.194 20 10 CECDRO COc1cc(Cl)cc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c1O ZINC000857226736 644860007 /nfs/dbraw/zinc/86/00/07/644860007.db2.gz YGXJSOSILQBGOV-IAQYHMDHSA-N 1 0 296.798 2.367 20 10 CECDRO COC1CC([NH2+]Cc2ccc(N(C)C)c(F)c2)C1 ZINC000757971267 644865454 /nfs/dbraw/zinc/86/54/54/644865454.db2.gz PKBXDUWYDKDZTL-UHFFFAOYSA-N 1 0 252.333 2.159 20 10 CECDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000759174909 644992606 /nfs/dbraw/zinc/99/26/06/644992606.db2.gz ZTDFIXSNHLWKOU-GXTWGEPZSA-N 1 0 285.771 2.329 20 10 CECDRO CC[NH+](CC)CCCNC(=O)NCc1cc(C)ccc1O ZINC000858120613 645067886 /nfs/dbraw/zinc/06/78/86/645067886.db2.gz HBBINNPSUJOOOA-UHFFFAOYSA-N 1 0 293.411 2.232 20 10 CECDRO Cc1ccc(O)c(C[NH2+]Cc2cnn(CC(F)F)c2)c1 ZINC000858239402 645095692 /nfs/dbraw/zinc/09/56/92/645095692.db2.gz NDSGUFQEELAYIY-UHFFFAOYSA-N 1 0 281.306 2.452 20 10 CECDRO Cc1cc(O)c(C[NH2+]CCN(C)CC(F)F)cc1C ZINC000858336223 645124293 /nfs/dbraw/zinc/12/42/93/645124293.db2.gz AGPRIUMPRBIOAD-UHFFFAOYSA-N 1 0 272.339 2.296 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)cc1 ZINC000858470371 645171795 /nfs/dbraw/zinc/17/17/95/645171795.db2.gz YYTOHJWFPOMBOC-JQFCIGGWSA-N 1 0 292.423 2.333 20 10 CECDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1 ZINC000858494424 645180649 /nfs/dbraw/zinc/18/06/49/645180649.db2.gz RFWZVQIAAVBPCA-UBHSHLNASA-N 1 0 275.396 2.057 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)OC)c1ccc(N(C)C)cc1 ZINC000858586727 645213169 /nfs/dbraw/zinc/21/31/69/645213169.db2.gz JTOREOPWOQPTOA-IUODEOHRSA-N 1 0 293.411 2.202 20 10 CECDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)OC)c1ccc(C)cc1O ZINC000858586551 645213390 /nfs/dbraw/zinc/21/33/90/645213390.db2.gz FHVCGGWWPUGEFJ-DGCLKSJQSA-N 1 0 280.368 2.150 20 10 CECDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000858588860 645215301 /nfs/dbraw/zinc/21/53/01/645215301.db2.gz SDQPENXAWJJVPT-RKDXNWHRSA-N 1 0 286.759 2.105 20 10 CECDRO CN(CC1=CCCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000761223832 645259376 /nfs/dbraw/zinc/25/93/76/645259376.db2.gz SCKDCHRQTAELQW-UHFFFAOYSA-N 1 0 290.407 2.410 20 10 CECDRO CCOc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)c(O)c1 ZINC000762627889 645431676 /nfs/dbraw/zinc/43/16/76/645431676.db2.gz IVTUFTGHRYQXNF-SNVBAGLBSA-N 1 0 253.342 2.040 20 10 CECDRO Cc1cccc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)c1O ZINC000763491063 645550367 /nfs/dbraw/zinc/55/03/67/645550367.db2.gz MKLUAOLWNWGYEE-SGTLLEGYSA-N 1 0 267.394 2.044 20 10 CECDRO Cc1cccnc1NC(=O)CN(C)Cc1ccccc1O ZINC000878242143 651043640 /nfs/dbraw/zinc/04/36/40/651043640.db2.gz NGOFMQQUADUPFJ-UHFFFAOYSA-N 1 0 285.347 2.166 20 10 CECDRO CCN(CC)c1ccc(C[N@H+](C)[C@@H]2CCCNC2=O)cc1 ZINC000766837984 645928863 /nfs/dbraw/zinc/92/88/63/645928863.db2.gz DAXAMYHFNZSTJF-MRXNPFEDSA-N 1 0 289.423 2.243 20 10 CECDRO CC(C)CC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768439258 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ZINC000769458419 646271050 /nfs/dbraw/zinc/27/10/50/646271050.db2.gz UGLFMBADVMPEJZ-HNNXBMFYSA-N 1 0 290.407 2.134 20 10 CECDRO COc1cccc(O)c1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000769710565 646304972 /nfs/dbraw/zinc/30/49/72/646304972.db2.gz NCEJNOWWMOYAQI-WDEREUQCSA-N 1 0 251.326 2.058 20 10 CECDRO CN(C)c1cc(F)c(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1F ZINC000862246538 646378970 /nfs/dbraw/zinc/37/89/70/646378970.db2.gz QGRIWCPOIKHSNT-XHDPSFHLSA-N 1 0 295.377 2.215 20 10 CECDRO O=C(/C=C\c1ccc(O)c(O)c1)OCC[NH+]1CCCCC1 ZINC000770403532 646388383 /nfs/dbraw/zinc/38/83/83/646388383.db2.gz KBZBJUUFCLPZHC-ALCCZGGFSA-N 1 0 291.347 2.140 20 10 CECDRO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1F ZINC000862418255 646452107 /nfs/dbraw/zinc/45/21/07/646452107.db2.gz HRLAVEHNGAMZQG-DGCLKSJQSA-N 1 0 296.361 2.499 20 10 CECDRO Cc1cc(N(C)C)ccc1C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000862428188 646455770 /nfs/dbraw/zinc/45/57/70/646455770.db2.gz NBFCIHODEVYIQP-INIZCTEOSA-N 1 0 289.423 2.114 20 10 CECDRO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cccc(C)c2O)n1 ZINC000862543956 646491353 /nfs/dbraw/zinc/49/13/53/646491353.db2.gz QXMGQFKSOUPSBI-GXTWGEPZSA-N 1 0 289.335 2.012 20 10 CECDRO CC(=O)c1cc(Cl)cc(CN(C)C[C@@H](C)[NH3+])c1O ZINC000863566197 646757884 /nfs/dbraw/zinc/75/78/84/646757884.db2.gz DSWYRPIFRNAASJ-MRVPVSSYSA-N 1 0 270.760 2.027 20 10 CECDRO Cc1cc(N(C)C)ccc1CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863649314 646776377 /nfs/dbraw/zinc/77/63/77/646776377.db2.gz CEOMLPHMYXJFOD-HIFRSBDPSA-N 1 0 261.413 2.291 20 10 CECDRO Cc1cc(Cl)cc(C[N@H+](C)CCN2CCCC2=O)c1O ZINC000775690504 646980715 /nfs/dbraw/zinc/98/07/15/646980715.db2.gz HQHQYCMXHNEOFP-UHFFFAOYSA-N 1 0 296.798 2.408 20 10 CECDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@H]1OC ZINC000775977397 647012154 /nfs/dbraw/zinc/01/21/54/647012154.db2.gz CFSHQXZTERUFKK-IACUBPJLSA-N 1 0 285.771 2.328 20 10 CECDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc(OC)ccc1O ZINC000776220676 647038479 /nfs/dbraw/zinc/03/84/79/647038479.db2.gz YRKSZVMFPVQDSZ-DGCLKSJQSA-N 1 0 267.369 2.288 20 10 CECDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](CO)CC2)c1 ZINC000776250392 647041787 /nfs/dbraw/zinc/04/17/87/647041787.db2.gz IMKREGTXEMXGPB-BJHJDKERSA-N 1 0 265.353 2.042 20 10 CECDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000778208361 647210235 /nfs/dbraw/zinc/21/02/35/647210235.db2.gz KHZKTKBGKYABIP-LLVKDONJSA-N 1 0 265.353 2.448 20 10 CECDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCCN(C)C1=O ZINC000778945456 647275999 /nfs/dbraw/zinc/27/59/99/647275999.db2.gz GRQKXUHBFMUNQQ-CQSZACIVSA-N 1 0 276.380 2.225 20 10 CECDRO COc1cccc(O)c1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000779152979 647292835 /nfs/dbraw/zinc/29/28/35/647292835.db2.gz IQENZDYLVIXXGS-TZMCWYRMSA-N 1 0 279.380 2.384 20 10 CECDRO COc1ccc(N2CC[C@H]([NH2+]Cc3ccc(=O)[nH]c3)C2)cc1 ZINC000865621987 647392639 /nfs/dbraw/zinc/39/26/39/647392639.db2.gz IDSAVQIIKGNECU-AWEZNQCLSA-N 1 0 299.374 2.164 20 10 CECDRO Cc1cc(O)c(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)cc1C ZINC000865710702 647434152 /nfs/dbraw/zinc/43/41/52/647434152.db2.gz DIXNTWCMIAEBKS-BXKDBHETSA-N 1 0 277.286 2.410 20 10 CECDRO Cc1cccc(C[N@H+](C)CCc2cnccn2)c1O ZINC000780894431 647478535 /nfs/dbraw/zinc/47/85/35/647478535.db2.gz DYEFMDMNWXVZMB-UHFFFAOYSA-N 1 0 257.337 2.165 20 10 CECDRO CCN(Cc1cn(C)nn1)Cc1cc(Cl)ccc1O ZINC000781928810 647572468 /nfs/dbraw/zinc/57/24/68/647572468.db2.gz FIOUZAQJWKYUSI-UHFFFAOYSA-N 1 0 280.759 2.196 20 10 CECDRO CC(=O)c1cc(F)cc(CN2CCC[C@@H]3[NH2+]CC[C@H]32)c1O ZINC000866721381 647881959 /nfs/dbraw/zinc/88/19/59/647881959.db2.gz VRLWDTSXWVHHDY-LSDHHAIUSA-N 1 0 292.354 2.060 20 10 CECDRO COc1ccc(N2CC[NH+](CCC[C@@H](C)O)CC2)cc1F ZINC000789328554 648288850 /nfs/dbraw/zinc/28/88/50/648288850.db2.gz XMWZIWHHJMRNQI-CYBMUJFWSA-N 1 0 296.386 2.117 20 10 CECDRO C[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000789558329 648316891 /nfs/dbraw/zinc/31/68/91/648316891.db2.gz WYXGIKQAQLBBFU-ZDUSSCGKSA-N 1 0 255.745 2.392 20 10 CECDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000792198681 648623606 /nfs/dbraw/zinc/62/36/06/648623606.db2.gz BBFIBVNONZGHFR-ZIAGYGMSSA-N 1 0 276.380 2.184 20 10 CECDRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000792204154 648625279 /nfs/dbraw/zinc/62/52/79/648625279.db2.gz XIJAOPAAZBSLKK-CABZTGNLSA-N 1 0 283.755 2.477 20 10 CECDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200847 649030740 /nfs/dbraw/zinc/03/07/40/649030740.db2.gz KGDRXEMQMLOIGD-AWEZNQCLSA-N 1 0 274.364 2.109 20 10 CECDRO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc2ccccc2c1O ZINC000872141147 649290014 /nfs/dbraw/zinc/29/00/14/649290014.db2.gz NOGPDOZVAHPUPJ-HFBAOOFYSA-N 1 0 287.359 2.346 20 10 CECDRO COCCC[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000873007627 649529982 /nfs/dbraw/zinc/52/99/82/649529982.db2.gz XFTPLKSCAPQRDU-UHFFFAOYSA-N 1 0 289.379 2.066 20 10 CECDRO COc1ccc(CN[C@]23CCC[C@@H]2[NH2+]CC3)cc1C ZINC000873230229 649601629 /nfs/dbraw/zinc/60/16/29/649601629.db2.gz NSKWETAAYFZRQB-HOTGVXAUSA-N 1 0 260.381 2.378 20 10 CECDRO CC[C@]1(O)CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000879310654 651281261 /nfs/dbraw/zinc/28/12/61/651281261.db2.gz LFUIRTKCYUZDAC-INIZCTEOSA-N 1 0 295.354 2.471 20 10 CECDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000879649034 651335294 /nfs/dbraw/zinc/33/52/94/651335294.db2.gz JURGEQLKMRCNIW-TUAOUCFPSA-N 1 0 264.369 2.346 20 10 CECDRO COC(=O)CC1(C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000879650733 651335619 /nfs/dbraw/zinc/33/56/19/651335619.db2.gz PYSYKEOKJYFFAC-NSHDSACASA-N 1 0 263.337 2.386 20 10 CECDRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2O)on1 ZINC000879651944 651335930 /nfs/dbraw/zinc/33/59/30/651335930.db2.gz QILPLDACNGOXCK-QWRGUYRKSA-N 1 0 289.335 2.366 20 10 CECDRO CCC[N@H+](CC(=O)NC)Cc1cc(Cl)ccc1O ZINC000133287426 652618844 /nfs/dbraw/zinc/61/88/44/652618844.db2.gz VRRHNGYREXTKFS-UHFFFAOYSA-N 1 0 270.760 2.004 20 10 CECDRO O=C(OCCC[NH+]1CCCCC1)c1cccc(O)c1O ZINC000800203965 652685579 /nfs/dbraw/zinc/68/55/79/652685579.db2.gz VOZKITJMTGGSCY-UHFFFAOYSA-N 1 0 279.336 2.131 20 10 CECDRO C[NH2+][C@@H](CC(C)C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000884306005 652789060 /nfs/dbraw/zinc/78/90/60/652789060.db2.gz POKJONRPJCQDJK-INIZCTEOSA-N 1 0 291.439 2.345 20 10 CECDRO Oc1ccccc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000134235479 652795972 /nfs/dbraw/zinc/79/59/72/652795972.db2.gz HQIYADVXPBZJLV-UHFFFAOYSA-N 1 0 271.316 2.453 20 10 CECDRO CCOc1cccc(C[NH2+][C@@H](CC)CCO)c1O ZINC000134986450 652900708 /nfs/dbraw/zinc/90/07/08/652900708.db2.gz BFVOURQGHWAGOF-LBPRGKRZSA-N 1 0 253.342 2.042 20 10 CECDRO CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000135719055 652980115 /nfs/dbraw/zinc/98/01/15/652980115.db2.gz DPKJLZQKCCVJHP-VXGBXAGGSA-N 1 0 264.369 2.204 20 10 CECDRO